| 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 | 29.6 | Very low | 33.2 | Very low | 237 Ų | 237 | 178.1 Ų | 178.1 | 100% | 1.167 | 86% | 0.856 | S | S | * | * | 0 | 88.2 | 0 | -82.5 | 177.9 | 177.6 | 0 | 0 | 108.9 | |||||
| 2 | F | 30.6 | Very low | 33 | Very low | 205 Ų | 205 | 182.2 Ų | 182.2 | 90% | 0.899 | 86% | 0.856 | S | S | * | * | trans | 175.2 | 99.5 | 163.7 | -95.4 | -66.9 | 0 | 0 | 0 | 105.8 | ||||
| 3 | M | 33.1 | Very low | 32.9 | Very low | 179 Ų | 179 | 183.8 Ų | 183.8 | 88% | 0.882 | 86% | 0.858 | S | S | * | * | trans | -152.3 | 77.1 | 167.6 | -77.1 | -66.5 | -100.9 | 0 | 0 | 108.2 | ||||
| 4 | K | 35.1 | Very low | 32.7 | Very low | 218 Ų | 218 | 183.9 Ų | 183.9 | 95% | 0.948 | 86% | 0.858 | S | S | * | * | trans | -85.4 | 103.9 | 159.8 | -81.1 | -176.2 | 175.6 | 180 | 0 | 106.6 | ||||
| 5 | S | 36.4 | Very low | 32.7 | Very low | 84 Ų | 84 | 184.5 Ų | 184.5 | 59% | 0.587 | 86% | 0.861 | S | S | * | * | trans | -120.6 | 109.9 | 168 | 52 | 0 | 0 | 0 | 0 | 108.8 | F7 | S5-F7 PolarHBondContact O-N 3.33Š| ||
| 6 | S | 34.9 | Very low | 32.6 | Very low | 118 Ų | 118 | 181.6 Ų | 181.6 | 83% | 0.825 | 86% | 0.86 | S | S | * | * | trans | -75.2 | 106.3 | 174.8 | 31.1 | 0 | 0 | 0 | 0 | 109.6 | L8 | S6-L8 PolarHBondContact O-N 2.9Å; S6-L8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | F | 34.9 | Very low | 32.4 | Very low | 183 Ų | 183 | 176 Ų | 176 | 80% | 0.803 | 85% | 0.852 | S | S | * | * | trans | -71.2 | 94 | 168.6 | -94.1 | -98.9 | 0 | 0 | 0 | 110.2 | S5 | S5-F7 PolarHBondContact O-N 3.33Š| ||
| 8 | L | 30.3 | Very low | 32.3 | Very low | 172 Ų | 172 | 176 Ų | 176 | 90% | 0.901 | 86% | 0.856 | S | S | * | * | trans | -93.4 | 95 | 156.6 | -90.6 | 162.8 | 0 | 0 | 0 | 107.7 | S6 | S6-L8 PolarHBondContact O-N 2.9Å; S6-L8 VanDerWaalsContact O-N 3.15Å | ||
| 9 | R | 34 | Very low | 32.2 | Very low | 198 Ų | 198 | 175.8 Ų | 175.8 | 75% | 0.747 | 85% | 0.853 | S | S | * | * | trans | -99.1 | 105.2 | 170.4 | -133.5 | -179.1 | -161.6 | -162.4 | 4.1 | 108.4 | F11 | R9-F11 PolarHBondContact O-N 3.18Š| ||
| 10 | Q | 32.7 | Very low | 32.3 | Very low | 180 Ų | 180 | 172.8 Ų | 172.8 | 84% | 0.841 | 85% | 0.847 | S | S | * | * | trans | -51.1 | 126.2 | 163.9 | -81.8 | 169.3 | -33.1 | 0 | 0 | 110.4 | ||||
| 11 | F | 33.6 | Very low | 32.2 | Very low | 185 Ų | 185 | 170.2 Ų | 170.2 | 81% | 0.811 | 84% | 0.842 | S | S | * | * | trans | -106 | 104 | 154 | -82.2 | -81.5 | 0 | 0 | 0 | 107.8 | R9 | R9-F11 PolarHBondContact O-N 3.18Š| ||
| 12 | R | 30.3 | Very low | 32.2 | Very low | 227 Ų | 227 | 162.2 Ų | 162.2 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | -54.5 | 129.8 | 165.2 | -77.4 | -179.2 | -179.8 | -176.5 | -1.4 | 108.8 | ||||
| 13 | K | 32.3 | Very low | 32.2 | Very low | 204 Ų | 204 | 161.8 Ų | 161.8 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -91.7 | 118.1 | 154.7 | -87.1 | -177.5 | 174.3 | -179 | 0 | 107.1 | E15 | K13-E15 PolarHBondContact O-N 3.19Š| ||
| 14 | E | 29.7 | Very low | 32 | Very low | 184 Ų | 184 | 158.8 Ų | 158.8 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -69.6 | 108 | 175.3 | -69.7 | 169.4 | 156.5 | 0 | 0 | 109 | T16 | E14-T16 PolarHBondContact O-N 3.23Š| ||
| 15 | E | 33.4 | Very low | 31.5 | Very low | 193 Ų | 193 | 157.1 Ų | 157.1 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -76.9 | 111.1 | 163.8 | -78.1 | 176.7 | 162.8 | 0 | 0 | 107.9 | K13 A17 | K13-E15 PolarHBondContact O-N 3.19Å; E15-A17 PolarHBondContact O-N 2.89Å | ||
| 16 | T | 30.7 | Very low | 31.2 | Very low | 138 Ų | 138 | 159.1 Ų | 159.1 | 85% | 0.847 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 120.7 | 177.6 | 2.8 | 0 | 0 | 0 | 0 | 108.9 | E14 L18 | E14-T16 PolarHBondContact O-N 3.23Å; T16-L18 PolarHBondContact O-N 3.46Å |
| 17 | A | 29.2 | Very low | 31 | Very low | 87 Ų | 87 | 158.3 Ų | 158.3 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 120.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E15 | E15-A17 PolarHBondContact O-N 2.89Š|
| 18 | L | 30.6 | Very low | 30.7 | Very low | 176 Ų | 176 | 158.8 Ų | 158.8 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 118.6 | 151.2 | -84.1 | 162.1 | 0 | 0 | 0 | 107.3 | T16 | T16-L18 PolarHBondContact O-N 3.46Š|
| 19 | H | 30 | Very low | 30.7 | Very low | 172 Ų | 172 | 158.7 Ų | 158.7 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 148.4 | -171.4 | -95.1 | -77.1 | 0 | 0 | 0 | 114 | ||
| 20 | P | 34.5 | Very low | 30.6 | Very low | 115 Ų | 115 | 156 Ų | 156 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78 | 124 | -174.4 | 31.6 | -31.4 | 0 | 0 | 0 | 111.2 | G22 | P20-G22 PolarHBondContact O-N 3.21Š|
| 21 | V | 30.9 | Very low | 30.4 | Very low | 120 Ų | 120 | 152.9 Ų | 152.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -77.9 | 110.9 | 163 | 176.1 | 0 | 0 | 0 | 0 | 107 | F23 | V21-F23 PolarHBondContact O-N 3.49Š| ||
| 22 | G | 28.9 | Very low | 30.3 | Very low | 68 Ų | 68 | 153.6 Ų | 153.6 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -61 | 112.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P20 | P20-G22 PolarHBondContact O-N 3.21Š| ||
| 23 | F | 30.5 | Very low | 30.3 | Very low | 197 Ų | 197 | 151.5 Ų | 151.5 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -89.6 | 105.3 | 162 | -80.3 | -84.1 | 0 | 0 | 0 | 108.2 | V21 | V21-F23 PolarHBondContact O-N 3.49Š| ||
| 24 | S | 29.4 | Very low | 30.1 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -59.8 | 131 | 169.9 | -46.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 25 | E | 25.1 | Very low | 30.2 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -39.3 | 116.9 | 175.3 | -147.2 | 168.7 | -162.3 | 0 | 0 | 113.7 | S27 | E25-S27 PolarHBondContact O-N 3.34Š| ||
| 26 | P | 29.1 | Very low | 30 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -75.6 | 105.3 | 164.2 | -5.9 | 23 | 0 | 0 | 0 | 108.1 | Q28 | P26-Q28 PolarHBondContact O-N 2.91Š| ||
| 27 | S | 30 | Very low | 30.1 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -37.9 | 121.5 | 166 | 49.2 | 0 | 0 | 0 | 0 | 113 | E25 I29 | E25-S27 PolarHBondContact O-N 3.34Å; S27-I29 PolarHBondContact O-N 3.29Å | ||
| 28 | Q | 29.8 | Very low | 30.3 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | 14 | 93.9 | 149.4 | -71.1 | 178.3 | -17.9 | 0 | 0 | 115.7 | P26 | P26-Q28 PolarHBondContact O-N 2.91Š| ||
| 29 | I | 31.1 | Very low | 30.4 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -95.1 | 107.7 | 152.9 | -63.7 | 177.3 | 0 | 0 | 0 | 106.2 | S27 S31 | S27-I29 PolarHBondContact O-N 3.29Å; I29-S31 PolarHBondContact O-N 3.25Å | ||
| 30 | D | 30.9 | Very low | 30.5 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -34.5 | 121.7 | 173.1 | -97.7 | -39.1 | 0 | 0 | 0 | 112.2 | K32 | D30-K32 PolarHBondContact O-N 2.81Š| ||
| 31 | S | 28.3 | Very low | 30.2 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -60.5 | 80.3 | 166.4 | 43.5 | 0 | 0 | 0 | 0 | 110 | I29 K33 | I29-S31 PolarHBondContact O-N 3.25Å; S31-K33 VanDerWaalsContact C-N 3.29Å; S31-K33 PolarHBondContact O-N 3.01Å | ||
| 32 | K | 32.1 | Very low | 30.2 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 96.3 | 163.3 | -82.2 | -173.5 | 179 | 177.4 | 0 | 108.5 | D30 | D30-K32 PolarHBondContact O-N 2.81Š| ||
| 33 | K | 30.6 | Very low | 30.4 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -1.7 | 129.1 | 163.6 | -80.3 | 175.2 | 172.6 | 175.7 | 0 | 116.1 | S31 S35 | S31-K33 VanDerWaalsContact C-N 3.29Å; S31-K33 PolarHBondContact O-N 3.01Å; K33-S35 PolarHBondContact O-N 3.45Å; K33-S35 VanDerWaalsContact O-N 3.11Å | ||
| 34 | P | 27.8 | Very low | 30.7 | Very low | 128 Ų | 128 | 148.8 Ų | 148.8 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -65.1 | 114.4 | 170.7 | 29.7 | -31.2 | 0 | 0 | 0 | 108.1 | S36 | P34-S36 VanDerWaalsContact C-N 3.28Å; P34-S36 PolarHBondContact O-N 3.24Å | ||
| 35 | S | 30.4 | Very low | 30.8 | Very low | 104 Ų | 104 | 147 Ų | 147 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -68.8 | 93 | 168.4 | 53.8 | 0 | 0 | 0 | 0 | 107.6 | K33 L37 | K33-S35 PolarHBondContact O-N 3.45Å; K33-S35 VanDerWaalsContact O-N 3.11Å; S35-L37 PolarHBondContact O-N 2.66Å | ||
| 36 | S | 30.6 | Very low | 31.1 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -53.7 | 109.9 | 162.9 | 58.6 | 0 | 0 | 0 | 0 | 107.8 | P34 I38 | P34-S36 VanDerWaalsContact C-N 3.28Å; P34-S36 PolarHBondContact O-N 3.24Å; S36-I38 PolarHBondContact O-N 3.16Å | ||
| 37 | L | 32.5 | Very low | 31.3 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -73.5 | 61.9 | 172 | -135.7 | 99.4 | 0 | 0 | 0 | 108.4 | S35 | S35-L37 PolarHBondContact O-N 2.66Š| ||
| 38 | I | 33.4 | Very low | 31.3 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 67% | 0.667 | 79% | 0.792 | S | S | * | * | trans | -98.2 | 109.8 | 166.9 | -65.4 | 176.7 | 0 | 0 | 0 | 105.1 | S36 K40 | S36-I38 PolarHBondContact O-N 3.16Å; I38-K40 VanDerWaalsContact C-N 3.26Å; I38-K40 PolarHBondContact O-N 3.46Å | ||
| 39 | W | 32.9 | Very low | 31.6 | Very low | 236 Ų | 236 | 139.8 Ų | 139.8 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | 7.7 | 75.6 | 143.4 | -64.5 | 91.7 | 0 | 0 | 0 | 113.2 | G41 | W39-G41 PolarHBondContact O-N 3.48Å; W39-G41 VanDerWaalsContact O-N 3.12Å | ||
| 40 | K | 31.7 | Very low | 31.7 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -69.6 | 110.8 | 165.6 | -162.5 | 176.3 | -177.3 | -174.3 | 0 | 103.5 | I38 L42 | I38-K40 VanDerWaalsContact C-N 3.26Å; I38-K40 PolarHBondContact O-N 3.46Å; K40-L42 PolarHBondContact O-N 3.46Å | ||
| 41 | G | 28.1 | Very low | 31.8 | Very low | 57 Ų | 57 | 135 Ų | 135 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | trans | -42.2 | 135.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W39 E43 | W39-G41 PolarHBondContact O-N 3.48Å; W39-G41 VanDerWaalsContact O-N 3.12Å; G41-E43 PolarHBondContact O-N 2.6Å | ||
| 42 | L | 30.2 | Very low | 32.1 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -51.3 | 92.2 | 144.6 | -79.2 | 147.9 | 0 | 0 | 0 | 105.1 | K40 D44 | K40-L42 PolarHBondContact O-N 3.46Å; L42-D44 PolarHBondContact O-N 3.39Å | ||
| 43 | E | 34.9 | Very low | 32.2 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -55.6 | 112 | 164.3 | -80.5 | 176.9 | 170.1 | 0 | 0 | 104.5 | G41 G45 | G41-E43 PolarHBondContact O-N 2.6Å; E43-G45 PolarHBondContact O-N 2.65Å | ||
| 44 | D | 36.5 | Very low | 32.5 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -51.1 | 88 | 161.1 | -70.2 | -47.1 | 0 | 0 | 0 | 106.9 | L42 N46 | L42-D44 PolarHBondContact O-N 3.39Å; D44-N46 PolarHBondContact O-N 2.83Å | ||
| 45 | G | 31.6 | Very low | 32.9 | Very low | 78 Ų | 78 | 131.2 Ų | 131.2 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -66.5 | 79.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | E43 A47 | E43-G45 PolarHBondContact O-N 2.65Å; G45-A47 PolarHBondContact O-N 2.73Å | ||
| 46 | N | 31.3 | Very low | 33.5 | Very low | 140 Ų | 140 | 133 Ų | 133 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | trans | -40.7 | 136.8 | 175 | -75.2 | -42.9 | 0 | 0 | 0 | 110.4 | D44 S48 | D44-N46 PolarHBondContact O-N 2.83Å; N46-S48 PolarHBondContact O-N 3.46Å | ||
| 47 | A | 32 | Very low | 33.9 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -34.5 | 105.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G45 S49 | G45-A47 PolarHBondContact O-N 2.73Å; A47-S49 PolarHBondContact O-N 2.87Å | ||
| 48 | S | 29.9 | Very low | 34.6 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -75.6 | 65.8 | 160.6 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | N46 T50 | N46-S48 PolarHBondContact O-N 3.46Å; S48-T50 PolarHBondContact O-N 3.34Å | ||
| 49 | S | 36.1 | Very low | 34.6 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -71.1 | 88.6 | 153.6 | 163.2 | 0 | 0 | 0 | 0 | 106.2 | A47 | A47-S49 PolarHBondContact O-N 2.87Š| ||
| 50 | T | 33.1 | Very low | 34.8 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 55% | 0.546 | 78% | 0.778 | S | S | . | * | trans | -154.2 | 64.8 | 166.8 | -18.3 | 0 | 0 | 0 | 0 | 107.7 | S48 D52 | S48-T50 PolarHBondContact O-N 3.34Å; T50-D52 HydrophobicContact CG2-CB 4.19Å; T50-D52 VanDerWaalsContact CG2-OD2 3.26Å; T50-D52 WeakPolarHBondContact CG2-OD2 3.19Å; T50-D52 PolarHBondContact O-N 3.18Å | ||
| 51 | C | 33.2 | Very low | 34.8 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -85.8 | 64.1 | 148.2 | -69.1 | 0 | 0 | 0 | 0 | 106.4 | L53 | C51-L53 PolarHBondContact O-N 3.45Å; C51-L53 VanDerWaalsContact O-N 3.1Å | ||
| 52 | D | 35.7 | Very low | 35.2 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 66% | 0.663 | 78% | 0.78 | S | S | * | * | trans | -78.7 | 88.5 | 162.1 | -73.5 | -19.9 | 0 | 0 | 0 | 105.2 | T50 D54 | T50-D52 HydrophobicContact CG2-CB 4.19Å; T50-D52 VanDerWaalsContact CG2-OD2 3.26Å; T50-D52 WeakPolarHBondContact CG2-OD2 3.19Å; T50-D52 PolarHBondContact O-N 3.18Å; D52-D54 PolarHBondContact O-N 2.99Å; D52-D54 VanDerWaalsContact O-N 3.16Å | ||
| 53 | L | 34.7 | Very low | 35.2 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -75 | 78.1 | 163.1 | -70.5 | 166.6 | 0 | 0 | 0 | 106.3 | C51 D55 | C51-L53 PolarHBondContact O-N 3.45Å; C51-L53 VanDerWaalsContact O-N 3.1Å; L53-D55 PolarHBondContact O-N 3.47Å | ||
| 54 | D | 36.5 | Very low | 35 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -85.2 | 92.4 | 166.1 | -78.6 | -17.2 | 0 | 0 | 0 | 107.9 | D52 | D52-D54 PolarHBondContact O-N 2.99Å; D52-D54 VanDerWaalsContact O-N 3.16Å | ||
| 55 | D | 36.4 | Very low | 34.7 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | 43 | 122.6 | 126.3 | -63.7 | -21.3 | 0 | 0 | 0 | 120.6 | L53 | L53-D55 PolarHBondContact O-N 3.47Š| |||
| 56 | D | 42.2 | Very low | 34.6 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | 78.7 | 46.8 | 129.5 | -61.5 | -18.3 | 0 | 0 | 0 | 122.2 | |||||
| 57 | D | 39.8 | Very low | 34.8 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | trans | -106.9 | 33.9 | 160.3 | -80.7 | -24.2 | 0 | 0 | 0 | 113.4 | ||||
| 58 | Y | 45.6 | Very low | 34.6 | Very low | 213 Ų | 213 | 142.6 Ų | 142.6 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -100.4 | 0.6 | 177.8 | -154.8 | -99.7 | 0 | 0 | 0 | 115 | ||||
| 59 | F | 34.3 | Very low | 34.6 | Very low | 201 Ų | 201 | 146.8 Ų | 146.8 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -117.5 | 66.2 | 175.6 | -70.5 | -74.6 | 0 | 0 | 0 | 112.1 | G61 | F59-G61 PolarHBondContact O-N 3.31Š| ||
| 60 | E | 36.4 | Very low | 34.1 | Very low | 197 Ų | 197 | 147.1 Ų | 147.1 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -82.1 | 99.5 | 161.2 | -119.7 | -178.2 | 179.9 | 0 | 0 | 109.8 | ||||
| 61 | G | 32.8 | Very low | 33.9 | Very low | 66 Ų | 66 | 149.4 Ų | 149.4 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | 86.2 | 97.7 | 140.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | F59 H63 | F59-G61 PolarHBondContact O-N 3.31Å; G61-H63 PolarHBondContact O-N 3.45Å | ||
| 62 | D | 35.2 | Very low | 33.6 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -50.7 | 98.7 | 154.8 | -79.5 | -42.6 | 0 | 0 | 0 | 111.8 | ||||
| 63 | H | 31.9 | Very low | 33.2 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | -116.2 | 63.7 | 158.1 | -82.8 | -9.8 | 0 | 0 | 0 | 110 | G61 M65 | G61-H63 PolarHBondContact O-N 3.45Å; H63-M65 PolarHBondContact O-N 3.34Å | ||
| 64 | F | 30.3 | Very low | 32.8 | Very low | 167 Ų | 167 | 150.6 Ų | 150.6 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -71.8 | 118.3 | 157.1 | -107.8 | -100.1 | 0 | 0 | 0 | 109.5 | ||||
| 65 | M | 29.3 | Very low | 32.5 | Very low | 145 Ų | 145 | 149.7 Ų | 149.7 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | trans | 73.3 | 98.7 | 155.1 | -52.2 | -64.7 | 148.5 | 0 | 0 | 117.2 | H63 P67 | H63-M65 PolarHBondContact O-N 3.34Å; M65-P67 VanDerWaalsContact O-CD 3.3Å; M65-P67 WeakPolarHBondContact O-CD 3.22Å | ||
| 66 | S | 29.4 | Very low | 32.3 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -86.4 | 108.4 | 141.7 | -93.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 67 | P | 36 | Very low | 31.7 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | trans | -82.1 | 154.5 | 171.6 | 34.4 | -31.8 | 0 | 0 | 0 | 110.2 | M65 | M65-P67 VanDerWaalsContact O-CD 3.3Å; M65-P67 WeakPolarHBondContact O-CD 3.22Å | ||
| 68 | N | 27.3 | Very low | 31.2 | Very low | 143 Ų | 143 | 149.4 Ų | 149.4 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | 89.9 | 92.4 | 174.5 | -54 | -23 | 0 | 0 | 0 | 115.1 | ||||
| 69 | E | 29.7 | Very low | 30.5 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | -154.8 | 85.8 | 119.1 | -106.3 | 172.5 | -159.3 | 0 | 0 | 108.7 | |||||
| 70 | T | 27.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -75 | 133.4 | 161.7 | -26 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 71 | N | 27.6 | Very low | 30.3 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 81.6 | 104.7 | 174.5 | -45.8 | -52.8 | 0 | 0 | 0 | 114.9 | ||||
| 72 | L | 26.9 | Very low | 30.6 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | -175.8 | 117.4 | 109.8 | -94.2 | 158.6 | 0 | 0 | 0 | 111.4 | |||||
| 73 | S | 27.1 | Very low | 30.8 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | 60.5 | 104.4 | 143.7 | 35.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 74 | I | 27.3 | Very low | 31.2 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -1.8 | 103.8 | 142.7 | -53.5 | 170.3 | 0 | 0 | 0 | 113.7 | S76 | I74-S76 PolarHBondContact O-N 3.34Š| ||
| 75 | P | 29.1 | Very low | 31.6 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -72 | 123.3 | 175.5 | 3.1 | 9.3 | 0 | 0 | 0 | 110 | K77 | P75-K77 PolarHBondContact O-N 2.56Š| ||
| 76 | S | 32 | Very low | 32.2 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -47.4 | 128.4 | 169.9 | 46.3 | 0 | 0 | 0 | 0 | 112.7 | I74 T78 | I74-S76 PolarHBondContact O-N 3.34Å; S76-T78 PolarHBondContact O-N 3.35Å | ||
| 77 | K | 29.7 | Very low | 32.9 | Very low | 208 Ų | 208 | 147.5 Ų | 147.5 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | -20.3 | 98.8 | 162.4 | -74.2 | 174.2 | 173.3 | 175.9 | 0 | 113.4 | P75 N79 | P75-K77 PolarHBondContact O-N 2.56Å; K77-N79 PolarHBondContact O-N 3.34Å | ||
| 78 | T | 29.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -65.3 | 117.5 | 161.9 | -4.4 | 0 | 0 | 0 | 0 | 107.5 | S76 W80 | S76-T78 PolarHBondContact O-N 3.35Å; T78-W80 PolarHBondContact O-N 3.33Å | ||
| 79 | N | 31.8 | Very low | 33.5 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -68.8 | 103.2 | 178.2 | -172.9 | 1.2 | 0 | 0 | 0 | 108.7 | K77 N81 | K77-N79 PolarHBondContact O-N 3.34Å; N79-N81 PolarHBondContact O-N 2.91Å | ||
| 80 | W | 28.8 | Very low | 33.9 | Very low | 216 Ų | 216 | 149.6 Ų | 149.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -71.9 | 47.5 | 179.9 | -89.8 | 65.5 | 0 | 0 | 0 | 113.2 | T78 | T78-W80 PolarHBondContact O-N 3.33Š| ||
| 81 | N | 37.9 | Very low | 34.3 | Very low | 134 Ų | 134 | 152.5 Ų | 152.5 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -106.2 | 5.8 | -175 | -109.5 | 11.7 | 0 | 0 | 0 | 116.6 | N79 | N79-N81 PolarHBondContact O-N 2.91Š| ||
| 82 | D | 37.2 | Very low | 34.6 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -106.4 | 34.5 | 173.6 | -79.1 | -26.3 | 0 | 0 | 0 | 113.1 | K84 | D82-K84 PolarHBondContact O-N 3.5Š| ||
| 83 | N | 39.8 | Very low | 34.8 | Very low | 94 Ų | 94 | 149.6 Ų | 149.6 | 50% | 0.503 | 77% | 0.771 | S | S | . | * | trans | -81.5 | 104.5 | 172.6 | -139.7 | -3.2 | 0 | 0 | 0 | 109.8 | W85 S86 | N83-W85 PolarHBondContact O-N 2.85Å; N83-S86 PolarHBondContact O-N 2.6Å | ||
| 84 | K | 41.1 | Very low | 34.9 | Very low | 191 Ų | 191 | 154.1 Ų | 154.1 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -54.6 | -4.2 | -175.9 | -140.4 | 173.2 | -177 | 179.8 | 0 | 115.1 | D82 | D82-K84 PolarHBondContact O-N 3.5Š|
| 85 | W | 38.5 | Very low | 35.2 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -77.1 | -26.6 | 178.5 | -69.9 | 81.6 | 0 | 0 | 0 | 113.9 | N83 K87 M88 | N83-W85 PolarHBondContact O-N 2.85Å; W85-K87 VanDerWaalsContact C-N 3.25Å; W85-K87 PolarHBondContact O-N 3.43Å; W85-M88 PolarHBondContact O-N 3.08Å |
| 86 | S | 41.7 | Very low | 35.2 | Very low | 98 Ų | 98 | 155.1 Ų | 155.1 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -73.5 | -10.6 | -178.1 | -58.6 | 0 | 0 | 0 | 0 | 114.6 | N83 | N83-S86 PolarHBondContact O-N 2.6Š|
| 87 | K | 44 | Very low | 35.1 | Very low | 200 Ų | 200 | 159.7 Ų | 159.7 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -87.2 | -12 | 174.2 | -76.5 | -175.4 | 179.6 | 176.1 | 0 | 114.1 | W85 | W85-K87 VanDerWaalsContact C-N 3.25Å; W85-K87 PolarHBondContact O-N 3.43Å |
| 88 | M | 40.3 | Very low | 34.9 | Very low | 156 Ų | 156 | 160.8 Ų | 160.8 | 77% | 0.768 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -93.8 | -2.9 | 177 | -94.5 | 172.1 | 66.1 | 0 | 0 | 114.5 | W85 | W85-M88 PolarHBondContact O-N 3.08Š|
| 89 | L | 36.5 | Very low | 34.9 | Very low | 132 Ų | 132 | 162.2 Ų | 162.2 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -118.9 | 43.2 | -176.1 | -96.3 | 130.1 | 0 | 0 | 0 | 113.6 | ||||
| 90 | K | 36.6 | Very low | 34.7 | Very low | 198 Ų | 198 | 164 Ų | 164 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -104.2 | 76.3 | 156.1 | -73.2 | -162.7 | 177.2 | -170.8 | 0 | 109.1 | G92 | K90-G92 PolarHBondContact O-N 2.91Š| ||
| 91 | F | 37.1 | Very low | 34.8 | Very low | 175 Ų | 175 | 159.2 Ų | 159.2 | 77% | 0.768 | 79% | 0.79 | S | S | * | * | trans | -74.7 | 110.9 | 160.7 | -80.4 | -86.6 | 0 | 0 | 0 | 107.2 | D93 | F91-D93 PolarHBondContact O-N 3.36Š| ||
| 92 | G | 33.6 | Very low | 34.4 | Very low | 76 Ų | 76 | 158.4 Ų | 158.4 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | -67.9 | 116.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | K90 E94 | K90-G92 PolarHBondContact O-N 2.91Å; G92-E94 PolarHBondContact O-N 3.01Å; G92-E94 VanDerWaalsContact O-N 3.12Å | ||
| 93 | D | 30.6 | Very low | 34 | Very low | 164 Ų | 164 | 160.3 Ų | 160.3 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -64.8 | 99.5 | 163.7 | -75 | -42.5 | 0 | 0 | 0 | 108.8 | F91 | F91-D93 PolarHBondContact O-N 3.36Š| ||
| 94 | E | 30.3 | Very low | 33.5 | Very low | 191 Ų | 191 | 161.8 Ų | 161.8 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -118.8 | 118.5 | 158.5 | -112.3 | -162.4 | 171.9 | 0 | 0 | 110.3 | G92 | G92-E94 PolarHBondContact O-N 3.01Å; G92-E94 VanDerWaalsContact O-N 3.12Å | ||
| 95 | P | 33.6 | Very low | 32.9 | Very low | 109 Ų | 109 | 158.6 Ų | 158.6 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | -92.2 | 143.8 | -173.8 | 34.9 | -32 | 0 | 0 | 0 | 112.6 | ||||
| 96 | K | 28.6 | Very low | 32.4 | Very low | 198 Ų | 198 | 158.9 Ų | 158.9 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | 67.1 | 115.4 | 154.2 | -63.3 | 173.2 | -179.8 | 175.5 | 0 | 117.3 | ||||
| 97 | K | 30.7 | Very low | 31.7 | Very low | 204 Ų | 204 | 159.1 Ų | 159.1 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | -165.9 | 133 | 104.5 | -99.7 | 166.6 | -173.8 | -177.4 | 0 | 110.8 | |||||
| 98 | R | 25.3 | Very low | 31.2 | Very low | 230 Ų | 230 | 155.6 Ų | 155.6 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | -66.9 | 131.7 | 167.1 | -66 | 174.4 | -174.4 | 161.9 | 0.2 | 107.6 | ||||
| 99 | D | 29.3 | Very low | 30.7 | Very low | 153 Ų | 153 | 157.9 Ų | 157.9 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -139.6 | 109 | 146.2 | -84.3 | -39.6 | 0 | 0 | 0 | 107.3 | V101 | D99-V101 PolarHBondContact O-N 3.08Š| ||
| 100 | L | 27 | Very low | 30.2 | Very low | 169 Ų | 169 | 159 Ų | 159 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | trans | -71 | 114.9 | 163.8 | -93 | 94.4 | 0 | 0 | 0 | 107.1 | ||||
| 101 | V | 30.6 | Very low | 30 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 71% | 0.709 | 82% | 0.818 | S | S | * | * | trans | -124 | 122.2 | 160.1 | -179 | 0 | 0 | 0 | 0 | 107.4 | D99 F103 | D99-V101 PolarHBondContact O-N 3.08Å; V101-F103 PolarHBondContact O-N 3.5Å | ||
| 102 | P | 29.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 153.3 Ų | 153.3 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -76.3 | 125.6 | -171.5 | 30.7 | -33.6 | 0 | 0 | 0 | 110.7 | T104 | P102-T104 PolarHBondContact O-N 3.05Š| ||
| 103 | F | 30.1 | Very low | 29.5 | Very low | 207 Ų | 207 | 158 Ų | 158 | 91% | 0.908 | 82% | 0.824 | S | S | * | * | trans | -76.3 | 108.3 | 172.6 | -91.8 | -94.4 | 0 | 0 | 0 | 110.4 | V101 | V101-F103 PolarHBondContact O-N 3.5Š| ||
| 104 | T | 28.9 | Very low | 29.3 | Very low | 125 Ų | 125 | 160.7 Ų | 160.7 | 77% | 0.767 | 82% | 0.822 | S | S | * | * | trans | -78.3 | 131.7 | 158.8 | 28.4 | 0 | 0 | 0 | 0 | 109.7 | P102 E106 | P102-T104 PolarHBondContact O-N 3.05Å; T104-E106 PolarHBondContact O-N 3.45Å | ||
| 105 | P | 27.8 | Very low | 29.1 | Very low | 123 Ų | 123 | 158.3 Ų | 158.3 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -85.6 | 109.9 | -175.2 | 31.6 | -30.4 | 0 | 0 | 0 | 110.9 | ||||
| 106 | E | 28.7 | Very low | 29 | Very low | 194 Ų | 194 | 160.1 Ų | 160.1 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | -86.3 | 124.6 | 167.4 | -80.4 | -165.9 | 148.9 | 0 | 0 | 111 | T104 | T104-E106 PolarHBondContact O-N 3.45Š| ||
| 107 | S | 27.2 | Very low | 29.1 | Very low | 103 Ų | 103 | 155.7 Ų | 155.7 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -72 | 144.8 | -177.6 | -40.5 | 0 | 0 | 0 | 0 | 112.3 | K109 | S107-K109 PolarHBondContact O-N 3.47Š| ||
| 108 | P | 32.8 | Very low | 28.9 | Very low | 126 Ų | 126 | 154.8 Ų | 154.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -77.2 | 113.6 | -174.9 | 23.6 | -18.7 | 0 | 0 | 0 | 111.2 | I110 | P108-I110 PolarHBondContact O-N 3.42Š| ||
| 109 | K | 29.9 | Very low | 29.1 | Very low | 204 Ų | 204 | 153.9 Ų | 153.9 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -71.8 | 119.7 | 174.3 | -74.5 | 174.3 | 179.8 | 167.4 | 0 | 110.3 | S107 S111 | S107-K109 PolarHBondContact O-N 3.47Å; K109-S111 PolarHBondContact O-N 2.71Å | ||
| 110 | I | 26.8 | Very low | 29 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | -66.5 | 107 | 172.5 | -58.9 | 163.1 | 0 | 0 | 0 | 108.4 | P108 N112 | P108-I110 PolarHBondContact O-N 3.42Å; I110-N112 PolarHBondContact O-N 3.19Å | ||
| 111 | S | 31.4 | Very low | 28.9 | Very low | 107 Ų | 107 | 151.8 Ų | 151.8 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -88 | 105.3 | 175.1 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | K109 L113 | K109-S111 PolarHBondContact O-N 2.71Å; S111-L113 PolarHBondContact O-N 3.35Å | ||
| 112 | N | 27.5 | Very low | 28.8 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -64.7 | 118 | 163.8 | -78.4 | -41.3 | 0 | 0 | 0 | 110.4 | I110 | I110-N112 PolarHBondContact O-N 3.19Š| ||
| 113 | L | 33.2 | Very low | 28.6 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -127.4 | 96.9 | 159.5 | -79 | 172.2 | 0 | 0 | 0 | 109.6 | S111 | S111-L113 PolarHBondContact O-N 3.35Š| ||
| 114 | R | 26.1 | Very low | 28.4 | Very low | 222 Ų | 222 | 153.1 Ų | 153.1 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -84.6 | 135.5 | 169 | -162 | -178.5 | -167.1 | 177.7 | 4.7 | 107.6 | ||||
| 115 | N | 26.2 | Very low | 28.3 | Very low | 141 Ų | 141 | 152.6 Ų | 152.6 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | 70.4 | 105.2 | 162.1 | -60.5 | -14.1 | 0 | 0 | 0 | 118.7 | ||||
| 116 | T | 32.1 | Very low | 28.3 | Very low | 147 Ų | 147 | 154.4 Ų | 154.4 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | -152.2 | 139.8 | 125.8 | 15.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 117 | S | 30 | Very low | 28.1 | Very low | 104 Ų | 104 | 152.8 Ų | 152.8 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -59.8 | 143.6 | -171.1 | 50 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 118 | Q | 26.2 | Very low | 28.1 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | 10.9 | 117.2 | 138.2 | -69.2 | 178.3 | -23.8 | 0 | 0 | 117.4 | ||||
| 119 | K | 30.2 | Very low | 27.9 | Very low | 211 Ų | 211 | 154.5 Ų | 154.5 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | -163.1 | 149 | 122.9 | -106.5 | 167.9 | -175.1 | -179.8 | 0 | 111.9 | |||||
| 120 | S | 25.9 | Very low | 27.8 | Very low | 103 Ų | 103 | 151.1 Ų | 151.1 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -55 | 143.1 | -163.5 | 47.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 121 | H | 25 | Very low | 27.8 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -4.6 | 116.2 | 144.8 | -83.6 | -69.3 | 0 | 0 | 0 | 116.6 | ||||
| 122 | V | 29.2 | Very low | 27.7 | Very low | 136 Ų | 136 | 154.5 Ų | 154.5 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -133.6 | 109 | 144.4 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 123 | N | 26 | Very low | 27.8 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | trans | -62 | 129.6 | 164.1 | -73.7 | -30.1 | 0 | 0 | 0 | 109.6 | ||||
| 124 | K | 25.4 | Very low | 27.6 | Very low | 193 Ų | 193 | 152.6 Ų | 152.6 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | 174.1 | 104.8 | 142 | -98.1 | 165 | -179.7 | -175.3 | 0 | 107.5 | ||||
| 125 | T | 27.4 | Very low | 27.7 | Very low | 114 Ų | 114 | 147 Ų | 147 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | 112.4 | 114.9 | 79.5 | -62.2 | 0 | 0 | 0 | 0 | 105.9 | I127 | T125-I127 PolarHBondContact O-N 3.4Š| |||
| 126 | I | 26.3 | Very low | 27.7 | Very low | 162 Ų | 162 | 150 Ų | 150 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -43.9 | 105.7 | 170.8 | -63.4 | 158.9 | 0 | 0 | 0 | 108.2 | S128 | I126-S128 PolarHBondContact O-N 2.71Š| ||
| 127 | I | 25.8 | Very low | 27.6 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -79 | 108.6 | 168.6 | -66.4 | 175.9 | 0 | 0 | 0 | 105.4 | T125 L129 | T125-I127 PolarHBondContact O-N 3.4Å; I127-L129 PolarHBondContact O-N 2.81Å | ||
| 128 | S | 27.5 | Very low | 27.4 | Very low | 85 Ų | 85 | 151.1 Ų | 151.1 | 59% | 0.594 | 79% | 0.79 | S | S | * | * | trans | -42 | 128.9 | 162.2 | -84.7 | 0 | 0 | 0 | 0 | 110.1 | I126 D130 | I126-S128 PolarHBondContact O-N 2.71Å; S128-D130 PolarHBondContact O-N 2.63Å | ||
| 129 | L | 28.8 | Very low | 27.5 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | trans | -77.8 | 62.4 | 171 | -158.6 | 75.1 | 0 | 0 | 0 | 109.1 | I127 | I127-L129 PolarHBondContact O-N 2.81Š| ||
| 130 | D | 27.9 | Very low | 27.5 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -98.4 | 126.8 | 160.5 | -83 | -34.2 | 0 | 0 | 0 | 106.8 | S128 | S128-D130 PolarHBondContact O-N 2.63Š| ||
| 131 | N | 26 | Very low | 27.5 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 118.6 | 66.8 | 176.3 | -60.4 | -20.2 | 0 | 0 | 0 | 113.5 | ||||
| 132 | L | 29.9 | Very low | 27.8 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 98% | 0.979 | 79% | 0.79 | S | S | * | * | trans | -107.7 | 77.4 | 139.1 | -159.2 | 75.5 | 0 | 0 | 0 | 107 | ||||
| 133 | D | 27.8 | Very low | 27.8 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | trans | -88.8 | 135.6 | 179.6 | -140.7 | 7.6 | 0 | 0 | 0 | 109.4 | ||||
| 134 | Q | 29.2 | Very low | 27.9 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 67.4 | 97.7 | 152.6 | -63.7 | 170 | 33.5 | 0 | 0 | 120 | ||||
| 135 | A | 29.2 | Very low | 28 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -142.6 | 82 | 131.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | P137 | A135-P137 WeakPolarHBondContact O-CD 2.89Š| ||
| 136 | R | 26.1 | Very low | 28.2 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -90 | 112.9 | 172.6 | -176.4 | -175.5 | -168.7 | 176.7 | 4.8 | 108 | Q138 | R136-Q138 HydrophobicContact CG-CG 4.27Å; R136-Q138 PolarHBondContact O-N 3.13Å | ||
| 137 | P | 30.9 | Very low | 28.4 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 105.7 | 154.8 | 11.7 | 6 | 0 | 0 | 0 | 106.6 | A135 S139 | A135-P137 WeakPolarHBondContact O-CD 2.89Å; P137-S139 PolarHBondContact O-N 3Å | ||
| 138 | Q | 24.6 | Very low | 28.9 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -66 | 117.9 | 159.4 | -77.7 | 178.1 | -24 | 0 | 0 | 107.6 | R136 | R136-Q138 HydrophobicContact CG-CG 4.27Å; R136-Q138 PolarHBondContact O-N 3.13Å | ||
| 139 | S | 28.5 | Very low | 29.2 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -127.4 | 137.8 | 152.1 | 38.3 | 0 | 0 | 0 | 0 | 108.2 | P137 | P137-S139 PolarHBondContact O-N 3Š| ||
| 140 | P | 31.3 | Very low | 29.3 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -81.8 | 153.4 | -153.2 | -10.3 | 29.5 | 0 | 0 | 0 | 112.7 | D142 | P140-D142 PolarHBondContact O-N 3.31Å; P140-D142 VanDerWaalsContact O-N 3.12Å | ||
| 141 | L | 25.3 | Very low | 29.9 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -39.1 | 105.4 | 162.5 | -133 | 78 | 0 | 0 | 0 | 111.4 | ||||
| 142 | D | 30.1 | Very low | 30.4 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -101.1 | 100.3 | 151.8 | -89.9 | -30 | 0 | 0 | 0 | 107.3 | P140 L144 | P140-D142 PolarHBondContact O-N 3.31Å; P140-D142 VanDerWaalsContact O-N 3.12Å; D142-L144 PolarHBondContact O-N 2.91Å | ||
| 143 | D | 29 | Very low | 30.9 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | -68.2 | 105 | 166.8 | -170.3 | 14.6 | 0 | 0 | 0 | 108 | ||||
| 144 | L | 28.3 | Very low | 32 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 90% | 0.901 | 76% | 0.758 | S | S | * | * | trans | -172.3 | 112.8 | 156.8 | -103.3 | 154.2 | 0 | 0 | 0 | 110.8 | D142 | D142-L144 PolarHBondContact O-N 2.91Š| ||
| 145 | G | 27.8 | Very low | 32.6 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | 105 | 85.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P147 | G145-P147 WeakPolarHBondContact O-CD 3.07Š| ||
| 146 | V | 31.3 | Very low | 33.7 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | trans | -37.6 | 112.9 | 155.1 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | K148 | V146-K148 PolarHBondContact O-N 3.25Å; V146-K148 VanDerWaalsContact O-N 3.13Å | ||
| 147 | P | 31.7 | Very low | 34.8 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | trans | -66.4 | 120.4 | 178.2 | 25.2 | -30.4 | 0 | 0 | 0 | 107.7 | G145 K149 | G145-P147 WeakPolarHBondContact O-CD 3.07Å; P147-K149 PolarHBondContact O-N 3.45Å | ||
| 148 | K | 34.9 | Very low | 36.1 | Very low | 201 Ų | 201 | 128.2 Ų | 128.2 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -36.5 | 121.6 | 175.2 | -71 | 171.3 | 177 | 173.4 | 0 | 110.3 | V146 A150 | V146-K148 PolarHBondContact O-N 3.25Å; V146-K148 VanDerWaalsContact O-N 3.13Å; K148-A150 PolarHBondContact O-N 3Å | ||
| 149 | K | 33.8 | Very low | 37.1 | Very low | 181 Ų | 181 | 126.6 Ų | 126.6 | 79% | 0.787 | 71% | 0.713 | S | S | * | * | trans | -43.3 | 128.4 | 162.1 | -79.9 | -177.5 | 171.5 | -173.5 | 0 | 108.3 | P147 | P147-K149 PolarHBondContact O-N 3.45Š| ||
| 150 | A | 32.5 | Very low | 38 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | trans | -47.1 | 140.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | K148 E152 | K148-A150 PolarHBondContact O-N 3Å; A150-E152 PolarHBondContact O-N 3.48Å | ||
| 151 | P | 38.9 | Very low | 38.3 | Very low | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | trans | -62.2 | 109.7 | -171.6 | 26.3 | -32.6 | 0 | 0 | 0 | 108.8 | S153 | P151-S153 PolarHBondContact O-N 2.91Š| ||
| 152 | E | 37.5 | Very low | 38.8 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 48% | 0.477 | 69% | 0.694 | S | S | . | * | trans | -52.7 | 132.6 | 168 | -74.8 | 171.4 | -175.2 | 0 | 0 | 107.9 | A150 L156 | A150-E152 PolarHBondContact O-N 3.48Å; E152-L156 HydrophobicContact CB-CB 4.49Å | ||
| 153 | S | 41 | Very low | 39.1 | Very low | 58 Ų | 58 | 124.9 Ų | 124.9 | 41% | 0.406 | 69% | 0.687 | S | S | . | * | trans | -45 | 143 | -174.8 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | P151 M155 L156 | P151-S153 PolarHBondContact O-N 2.91Å; S153-M155 PolarHBondContact O-N 3.39Å; S153-L156 PolarHBondContact O-N 3.46Å | ||
| 154 | P | 51.1 | Low | 39.4 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 74% | 0.74 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -50.5 | -28.1 | -177.8 | -27.4 | 33.5 | 0 | 0 | 0 | 113.4 | N157 F158 | P154-N157 PolarHBondContact O-N 3.49Å; P154-F158 WeakPolarHBondContact O-CB 3.26Å; P154-F158 PolarHBondContact O-N 3.2Å |
| 155 | M | 41.7 | Very low | 39.6 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -64.5 | -38.6 | 176.5 | -157 | 171.6 | 71.9 | 0 | 0 | 113.7 | S153 F158 L159 | S153-M155 PolarHBondContact O-N 3.39Å; M155-F158 PolarHBondContact O-N 3.29Å; M155-L159 HydrophobicContact CG-CD1 4.42Å; M155-L159 WeakPolarHBondContact O-CB 3.27Å; M155-L159 WeakPolarHBondContact O-CG 2.96Å; M155-L159 PolarHBondContact O-N 3.04Å |
| 156 | L | 50.7 | Low | 39.7 | Very low | 94 Ų | 94 | 121.5 Ų | 121.5 | 49% | 0.492 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -75 | -32.7 | 177.4 | -83.1 | 165.5 | 0 | 0 | 0 | 112.6 | E152 S153 L159 S160 | E152-L156 HydrophobicContact CB-CB 4.49Å; S153-L156 PolarHBondContact O-N 3.46Å; L156-L159 PolarHBondContact O-N 2.9Å; L156-S160 WeakPolarHBondContact O-CB 3.35Å; L156-S160 PolarHBondContact O-N 3.37Å; L156-S160 PolarHBondContact O-OG 3.43Å |
| 157 | N | 50.7 | Low | 39.6 | Very low | 84 Ų | 84 | 125 Ų | 125 | 45% | 0.449 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -71.9 | -30.7 | 171 | -93.5 | -41 | 0 | 0 | 0 | 112.8 | P154 S160 K161 | P154-N157 PolarHBondContact O-N 3.49Å; N157-S160 PolarHBondContact O-OG 3.11Å; N157-K161 PolarHBondContact O-N 3.27Å |
| 158 | F | 57 | Low | 39.5 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 68% | 0.675 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -72.9 | -34.7 | 173.7 | -153.1 | -92.5 | 0 | 0 | 0 | 111.9 | P154 M155 | P154-F158 WeakPolarHBondContact O-CB 3.26Å; P154-F158 PolarHBondContact O-N 3.2Å; M155-F158 PolarHBondContact O-N 3.29Å |
| 159 | L | 46.1 | Very low | 39.2 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 64% | 0.639 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77 | -31.2 | 178 | -69.8 | 171.9 | 0 | 0 | 0 | 113.5 | M155 L156 | M155-L159 HydrophobicContact CG-CD1 4.42Å; M155-L159 WeakPolarHBondContact O-CB 3.27Å; M155-L159 WeakPolarHBondContact O-CG 2.96Å; M155-L159 PolarHBondContact O-N 3.04Å; L156-L159 PolarHBondContact O-N 2.9Å |
| 160 | S | 47.8 | Very low | 39 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 58% | 0.58 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -80.2 | -17 | 178.5 | 55.8 | 0 | 0 | 0 | 0 | 114.5 | L156 N157 | L156-S160 WeakPolarHBondContact O-CB 3.35Å; L156-S160 PolarHBondContact O-N 3.37Å; L156-S160 PolarHBondContact O-OG 3.43Å; N157-S160 PolarHBondContact O-OG 3.11Å |
| 161 | K | 37.8 | Very low | 39 | Very low | 177 Ų | 177 | 124.1 Ų | 124.1 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 15.5 | -179.4 | -81.6 | -171.4 | 176.3 | -178.8 | 0 | 115.4 | N157 | N157-K161 PolarHBondContact O-N 3.27Š|
| 162 | K | 35.8 | Very low | 38.6 | Very low | 154 Ų | 154 | 125 Ų | 125 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -88.9 | 125.7 | 165.5 | -81.1 | -165.1 | 172.5 | -178 | 0 | 110.3 | S164 | K162-S164 PolarHBondContact O-N 3.34Š|
| 163 | P | 35.8 | Very low | 38.4 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 74% | 0.74 | 69% | 0.686 | S | S | * | * | trans | -55.9 | 128.9 | 178.5 | -18.8 | 29.2 | 0 | 0 | 0 | 110.1 | A165 | P163-A165 PolarHBondContact O-N 3.38Š| ||
| 164 | S | 34.8 | Very low | 37.9 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 95% | 0.951 | 70% | 0.704 | S | S | * | * | trans | -62.7 | 75.9 | 164.2 | 24.7 | 0 | 0 | 0 | 0 | 109.6 | K162 | K162-S164 PolarHBondContact O-N 3.34Š| ||
| 165 | A | 32 | Very low | 36.9 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 63% | 0.628 | 68% | 0.677 | S | S | * | * | trans | -117.6 | 103.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | P163 | P163-A165 PolarHBondContact O-N 3.38Š| ||
| 166 | S | 30.9 | Very low | 36.5 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | trans | 48.3 | 106.1 | 166.7 | 57.7 | 0 | 0 | 0 | 0 | 116.5 | M168 | S166-M168 PolarHBondContact O-N 3.46Š| ||
| 167 | F | 28.6 | Very low | 35.6 | Very low | 212 Ų | 212 | 120.7 Ų | 120.7 | 93% | 0.93 | 67% | 0.668 | S | S | * | * | trans | -27.6 | 95.9 | 149.1 | -98.3 | -104.1 | 0 | 0 | 0 | 111.6 | Q169 | F167-Q169 VanDerWaalsContact C-N 3.28Å; F167-Q169 PolarHBondContact O-N 3.19Å | ||
| 168 | M | 29.4 | Very low | 34.7 | Very low | 176 Ų | 176 | 121.5 Ų | 121.5 | 87% | 0.867 | 68% | 0.676 | S | S | * | * | trans | -85.1 | 88.9 | 157.4 | -83.2 | -98.6 | 127.6 | 0 | 0 | 105 | S166 | S166-M168 PolarHBondContact O-N 3.46Š| ||
| 169 | Q | 30.3 | Very low | 33.4 | Very low | 175 Ų | 175 | 117.9 Ų | 117.9 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | trans | -48.9 | 138.1 | 164.2 | -158 | 166.7 | 1.4 | 0 | 0 | 108.4 | F167 | F167-Q169 VanDerWaalsContact C-N 3.28Å; F167-Q169 PolarHBondContact O-N 3.19Å | ||
| 170 | S | 27.7 | Very low | 33.1 | Very low | 97 Ų | 97 | 117.6 Ų | 117.6 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | trans | -36.2 | 135.6 | -174.7 | -69.1 | 0 | 0 | 0 | 0 | 113.1 | D172 | S170-D172 PolarHBondContact O-N 3.24Š| ||
| 171 | P | 33.2 | Very low | 32.5 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 75% | 0.747 | 69% | 0.686 | S | S | * | * | trans | -72.3 | 78.1 | 177.7 | 31.1 | -32.3 | 0 | 0 | 0 | 109 | A173 | P171-A173 VanDerWaalsContact C-N 3.29Å; P171-A173 PolarHBondContact O-N 3.37Å | ||
| 172 | D | 31.7 | Very low | 32.2 | Very low | 145 Ų | 145 | 120.8 Ų | 120.8 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | trans | -64.9 | 97.5 | 160.7 | -96.4 | -28.9 | 0 | 0 | 0 | 107.2 | S170 H174 | S170-D172 PolarHBondContact O-N 3.24Å; D172-H174 PolarHBondContact O-N 2.74Å | ||
| 173 | A | 31.9 | Very low | 32.1 | Very low | 59 Ų | 59 | 116.8 Ų | 116.8 | 49% | 0.488 | 68% | 0.684 | S | S | . | * | trans | 37 | 72.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P171 N175 K890 | P171-A173 VanDerWaalsContact C-N 3.29Å; P171-A173 PolarHBondContact O-N 3.37Å; A173-N175 PolarHBondContact O-N 2.74Å; A173-K890 VanDerWaalsContact CB-NZ 3.34Å; A173-K890 PolarHBondContact O-NZ 3.47Å | ||
| 174 | H | 31.7 | Very low | 32.4 | Very low | 167 Ų | 167 | 117.1 Ų | 117.1 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | -50 | 109.5 | 162 | -96.6 | -66 | 0 | 0 | 0 | 107.3 | D172 V176 | D172-H174 PolarHBondContact O-N 2.74Å; H174-V176 VanDerWaalsContact C-N 3.26Å; H174-V176 PolarHBondContact O-N 3.47Å | ||
| 175 | N | 30.3 | Very low | 32.6 | Very low | 32 Ų | 32 | 120.4 Ų | 120.4 | 17% | 0.171 | 68% | 0.676 | C | S | . | * | trans | -55.7 | 95.2 | 164.6 | -75.1 | -37.5 | 0 | 0 | 0 | 107.8 | A173 S177 Q883 K886 | A173-N175 PolarHBondContact O-N 2.74Å; N175-S177 PolarHBondContact O-N 3.35Å; N175-Q883 VanDerWaalsContact CG-OE1 3.22Å; N175-Q883 PolarHBondContact ND2-NE2 3.46Å; N175-Q883 PolarHBondContact ND2-OE1 3.15Å; N175-Q883 VanDerWaalsContact ND2-OE1 3.08Å; N175-K886 HydrophobicContact CB-CD 4.39Å; N175-K886 WeakPolarHBondContact OD1-CD 3.3Å | ||
| 176 | V | 32.1 | Very low | 32.6 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -68.1 | 98.4 | 151.9 | 179.2 | 0 | 0 | 0 | 0 | 104 | H174 T178 K886 | H174-V176 VanDerWaalsContact C-N 3.26Å; H174-V176 PolarHBondContact O-N 3.47Å; V176-T178 PolarHBondContact O-N 3.28Å; V176-K886 PolarHBondContact O-NZ 3.39Å | ||
| 177 | S | 31.3 | Very low | 32.8 | Very low | 37 Ų | 37 | 128 Ų | 128 | 26% | 0.259 | 69% | 0.685 | S | S | . | * | trans | -44 | 126.2 | 162.5 | -55 | 0 | 0 | 0 | 0 | 107.2 | N175 S179 | N175-S177 PolarHBondContact O-N 3.35Å; S177-S179 PolarHBondContact O-N 2.71Å | ||
| 178 | T | 31.9 | Very low | 33.3 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | trans | -54.4 | 83.1 | 165.6 | 46.8 | 0 | 0 | 0 | 0 | 109 | V176 S882 | V176-T178 PolarHBondContact O-N 3.28Å; T178-S882 PolarHBondContact OG1-OG 3.09Å | ||
| 179 | S | 30.9 | Very low | 33.6 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | trans | -87.9 | 103.6 | 152.8 | 57 | 0 | 0 | 0 | 0 | 105.8 | S177 E181 | S177-S179 PolarHBondContact O-N 2.71Å; S179-E181 VanDerWaalsContact C-N 3.3Å; S179-E181 PolarHBondContact O-N 2.68Å | ||
| 180 | S | 39.3 | Very low | 33.8 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -47.1 | 89.7 | 169.3 | 163.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 181 | E | 34.7 | Very low | 34 | Very low | 161 Ų | 161 | 123.8 Ų | 123.8 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | trans | -158.1 | 62 | 167 | -111.7 | 165.6 | -153.4 | 0 | 0 | 107.9 | S179 | S179-E181 VanDerWaalsContact C-N 3.3Å; S179-E181 PolarHBondContact O-N 2.68Å | ||
| 182 | D | 32.2 | Very low | 34.2 | Very low | 166 Ų | 166 | 124 Ų | 124 | 89% | 0.888 | 67% | 0.67 | S | S | * | * | trans | -158.8 | 47 | 158.4 | -95.4 | -23.2 | 0 | 0 | 0 | 109.8 | ||||
| 183 | S | 34 | Very low | 34.3 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 50% | 0.497 | 67% | 0.674 | S | S | . | * | trans | -103.9 | 15.7 | 159.8 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | Y185 | S183-Y185 VanDerWaalsContact C-N 3.29Å; S183-Y185 PolarHBondContact O-N 3.37Å | ||
| 184 | V | 42.4 | Very low | 34.3 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -11.2 | -178.1 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 185 | Y | 37.9 | Very low | 34.2 | Very low | 205 Ų | 205 | 125.5 Ų | 125.5 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -3.3 | -175 | -118.3 | -91.6 | 0 | 0 | 0 | 118.3 | S183 | S183-Y185 VanDerWaalsContact C-N 3.29Å; S183-Y185 PolarHBondContact O-N 3.37Å |
| 186 | F | 32.5 | Very low | 34.3 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 82% | 0.816 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 2.2 | 177.8 | -96.2 | -80 | 0 | 0 | 0 | 117.2 | ||
| 187 | H | 35.5 | Very low | 34.4 | Very low | 147 Ų | 147 | 135 Ų | 135 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -92.3 | 6.5 | 166.5 | -77.6 | -39.6 | 0 | 0 | 0 | 115.3 | ||
| 188 | R | 39 | Very low | 34.2 | Very low | 225 Ų | 225 | 136.2 Ų | 136.2 | 85% | 0.849 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -85.6 | -8 | 176.4 | -148.6 | 173.1 | -157.3 | -178.6 | 5.6 | 115.4 | ||
| 189 | A | 34.5 | Very low | 34.1 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -105.5 | 0.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 190 | S | 35.3 | Very low | 34.2 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -133.7 | 25.6 | 178.3 | -62.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 191 | K | 31.7 | Very low | 33.6 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -136.3 | 26.6 | 169.8 | -117.7 | -174.8 | -178.9 | -163.1 | 0 | 116.2 | ||
| 192 | V | 37.7 | Very low | 33.4 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -90.2 | 0.1 | 168.4 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 193 | C | 33.3 | Very low | 33.2 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -115.7 | 7.4 | 175.4 | -70.8 | 0 | 0 | 0 | 0 | 116 | ||
| 194 | Q | 32.2 | Very low | 32.9 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -140.3 | 82.9 | 172 | -91.3 | 175.8 | -19.3 | 0 | 0 | 109 | ||
| 195 | D | 30.1 | Very low | 32.2 | Very low | 128 Ų | 128 | 149.7 Ų | 149.7 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | trans | 179.3 | 55.9 | 140.9 | -80.6 | -21 | 0 | 0 | 0 | 108.2 | T197 | D195-T197 PolarHBondContact O-N 3.2Š| ||
| 196 | Y | 32.3 | Very low | 31.9 | Very low | 225 Ų | 225 | 148.7 Ų | 148.7 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -87.1 | 49 | 157 | -94.4 | -81.5 | 0 | 0 | 0 | 108.9 | ||
| 197 | T | 33.8 | Very low | 31.8 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -159.1 | 82.9 | 170.9 | 45.9 | 0 | 0 | 0 | 0 | 107.5 | D195 | D195-T197 PolarHBondContact O-N 3.2Š| ||
| 198 | G | 27.2 | Very low | 31.6 | Very low | 62 Ų | 62 | 148.3 Ų | 148.3 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -176 | 89.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V200 | G198-V200 PolarHBondContact O-N 2.71Š|
| 199 | E | 30.9 | Very low | 31.1 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -31.6 | 103.8 | 173.9 | -64.9 | 169.2 | 151.3 | 0 | 0 | 113.1 | K201 | E199-K201 PolarHBondContact O-N 2.74Š| ||
| 200 | V | 31.1 | Very low | 30.9 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -73.7 | 92.3 | 164.8 | 179.1 | 0 | 0 | 0 | 0 | 106.7 | G198 T202 | G198-V200 PolarHBondContact O-N 2.71Å; V200-T202 PolarHBondContact O-N 3.17Å | ||
| 201 | K | 27.2 | Very low | 30.8 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -42 | 106.6 | 160.2 | -79.7 | 172.8 | 175 | 171.4 | 0 | 109.4 | E199 H203 | E199-K201 PolarHBondContact O-N 2.74Å; K201-H203 PolarHBondContact O-N 2.89Å | ||
| 202 | T | 30.6 | Very low | 31.1 | Very low | 121 Ų | 121 | 149.4 Ų | 149.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -0.6 | 91.8 | 140.2 | 43.6 | 0 | 0 | 0 | 0 | 114.5 | V200 L204 | V200-T202 PolarHBondContact O-N 3.17Å; T202-L204 VanDerWaalsContact C-N 3.29Å; T202-L204 PolarHBondContact O-N 3.33Å | ||
| 203 | H | 27.9 | Very low | 30.8 | Very low | 190 Ų | 190 | 148 Ų | 148 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | -84.6 | 89.3 | 149.8 | -117.8 | -72.3 | 0 | 0 | 0 | 107.2 | K201 D205 | K201-H203 PolarHBondContact O-N 2.89Å; H203-D205 PolarHBondContact O-N 3.41Å | ||
| 204 | L | 27 | Very low | 30.7 | Very low | 148 Ų | 148 | 151 Ų | 151 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -65.5 | 100.1 | 173.1 | -162.8 | 96 | 0 | 0 | 0 | 108.4 | T202 | T202-L204 VanDerWaalsContact C-N 3.29Å; T202-L204 PolarHBondContact O-N 3.33Å | ||
| 205 | D | 29.6 | Very low | 30.8 | Very low | 133 Ų | 133 | 152.4 Ų | 152.4 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -111.4 | 88.1 | 159.1 | -111.8 | -19.9 | 0 | 0 | 0 | 109.2 | H203 V207 | H203-D205 PolarHBondContact O-N 3.41Å; D205-V207 PolarHBondContact O-N 3.38Å | ||
| 206 | K | 29.9 | Very low | 30.9 | Very low | 183 Ų | 183 | 151 Ų | 151 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | trans | 36.3 | 75.6 | 138.4 | -61.3 | 174.4 | -178.4 | 171.3 | 0 | 115.9 | ||||
| 207 | V | 32.1 | Very low | 30.9 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -107.8 | 117.7 | 147.5 | 179.7 | 0 | 0 | 0 | 0 | 106.5 | D205 D209 | D205-V207 PolarHBondContact O-N 3.38Å; V207-D209 PolarHBondContact O-N 3.39Å | ||
| 208 | H | 29.5 | Very low | 30.9 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -42.7 | 119.7 | -167.1 | -79.5 | -58.2 | 0 | 0 | 0 | 115.8 | K210 | H208-K210 PolarHBondContact O-N 2.94Š| ||
| 209 | D | 28.4 | Very low | 31.2 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -54.5 | 100.4 | 150.1 | -72.9 | -43.4 | 0 | 0 | 0 | 109.1 | V207 | V207-D209 PolarHBondContact O-N 3.39Š| ||
| 210 | K | 31.4 | Very low | 31.5 | Very low | 186 Ų | 186 | 154.2 Ų | 154.2 | 81% | 0.809 | 80% | 0.797 | S | S | * | * | trans | -84.4 | 127.5 | 150.8 | -89.6 | -176.8 | 177.1 | 177.8 | 0 | 106.7 | H208 V212 | H208-K210 PolarHBondContact O-N 2.94Å; K210-V212 PolarHBondContact O-N 3.34Å; K210-V212 VanDerWaalsContact O-N 3.08Å | ||
| 211 | P | 33.7 | Very low | 31.8 | Very low | 110 Ų | 110 | 152.1 Ų | 152.1 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | trans | -65.3 | 116.1 | -168.1 | 27.6 | -33.4 | 0 | 0 | 0 | 109.2 | T213 | P211-T213 PolarHBondContact O-N 3.36Å; P211-T213 PolarHBondContact O-OG1 3.5Å | ||
| 212 | V | 36.5 | Very low | 32.7 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -63 | 94.9 | 163.2 | 177.1 | 0 | 0 | 0 | 0 | 105.7 | K210 E214 | K210-V212 PolarHBondContact O-N 3.34Å; K210-V212 VanDerWaalsContact O-N 3.08Å; V212-E214 PolarHBondContact O-N 2.97Å | ||
| 213 | T | 32.5 | Very low | 34 | Very low | 92 Ų | 92 | 148.6 Ų | 148.6 | 56% | 0.564 | 78% | 0.777 | S | S | * | * | trans | -70.9 | 109.5 | 173.7 | -39.6 | 0 | 0 | 0 | 0 | 105.8 | P211 F215 | P211-T213 PolarHBondContact O-N 3.36Å; P211-T213 PolarHBondContact O-OG1 3.5Å; T213-F215 HydrophobicContact CG2-CD2 4.05Å; T213-F215 HydrophobicContact CG2-CE2 3.68Å; T213-F215 HydrophobicContact CG2-CZ 4.3Å; T213-F215 PolarHBondContact O-N 2.91Å | ||
| 214 | E | 31.5 | Very low | 35.4 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -57.1 | 101.3 | 166 | -73.6 | 177.4 | 152.6 | 0 | 0 | 107.9 | V212 S216 | V212-E214 PolarHBondContact O-N 2.97Å; E214-S216 PolarHBondContact O-N 3.49Å | ||
| 215 | F | 33 | Very low | 36.9 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 77% | 0.768 | 77% | 0.766 | S | S | * | * | trans | -89 | 103.5 | 171.6 | -90.9 | -84.3 | 0 | 0 | 0 | 109.1 | T213 V217 | T213-F215 HydrophobicContact CG2-CD2 4.05Å; T213-F215 HydrophobicContact CG2-CE2 3.68Å; T213-F215 HydrophobicContact CG2-CZ 4.3Å; T213-F215 PolarHBondContact O-N 2.91Å; F215-V217 PolarHBondContact O-N 2.84Å | ||
| 216 | S | 32.5 | Very low | 38.7 | Very low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -51.5 | 128.2 | 162.3 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | E214 E218 | E214-S216 PolarHBondContact O-N 3.49Å; S216-E218 PolarHBondContact O-N 3.39Å | ||
| 217 | V | 33.3 | Very low | 40.8 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -74.6 | 105.9 | 176.2 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | F215 | F215-V217 PolarHBondContact O-N 2.84Š| ||
| 218 | E | 33 | Very low | 42.9 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -124.2 | 127.3 | 164.8 | -97 | 170.1 | 165.7 | 0 | 0 | 110.4 | S216 | S216-E218 PolarHBondContact O-N 3.39Š| ||
| 219 | D | 33.3 | Very low | 45.3 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -48.3 | 128.2 | -179.1 | -72.2 | -51 | 0 | 0 | 0 | 113.4 | ||||
| 220 | K | 38.1 | Very low | 47.7 | Very low | 200 Ų | 200 | 135.3 Ų | 135.3 | 87% | 0.87 | 71% | 0.714 | S | S | * | * | trans | -167.4 | 130 | 130.3 | -98.1 | 149 | -167.2 | -179.4 | 0 | 110.3 | D222 | K220-D222 PolarHBondContact O-N 3.49Š| ||
| 221 | S | 37.3 | Very low | 50.1 | Low | 101 Ų | 101 | 131.7 Ų | 131.7 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | -37.7 | 126.2 | 164.7 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 222 | D | 46 | Very low | 52.6 | Low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | -173.4 | 128.8 | 118.1 | -87.3 | -26.9 | 0 | 0 | 0 | 113.2 | K220 | K220-D222 PolarHBondContact O-N 3.49Š| |||
| 223 | T | 57.5 | Low | 54.9 | Low | 85 Ų | 85 | 134.9 Ų | 134.9 | 52% | 0.521 | 69% | 0.692 | S | S | . | * | trans | 66.3 | 109.8 | 165.1 | 77.9 | 0 | 0 | 0 | 0 | 119.6 | C225 D226 | T223-C225 PolarHBondContact O-N 3.32Å; T223-D226 PolarHBondContact O-N 2.92Å; T223-D226 VanDerWaalsContact O-N 3.08Å; T223-D226 PolarHBondContact OG1-OD2 2.99Å | ||
| 224 | L | 56.6 | Low | 57.5 | Low | 148 Ų | 148 | 138.6 Ų | 138.6 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -48.1 | -22 | 169 | -149 | 120.8 | 0 | 0 | 0 | 114.1 | L228 | L224-L228 PolarHBondContact O-N 3.46Å; L224-L228 VanDerWaalsContact O-N 3.11Å |
| 225 | C | 60.4 | Low | 60.2 | Low | 96 Ų | 96 | 135.6 Ų | 135.6 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -68.4 | -39.3 | 179.6 | -142.2 | 0 | 0 | 0 | 0 | 112.5 | T223 L228 K229 | T223-C225 PolarHBondContact O-N 3.32Å; C225-L228 PolarHBondContact O-N 2.9Å; C225-K229 PolarHBondContact O-N 3.14Å |
| 226 | D | 65.7 | Low | 62.9 | Low | 100 Ų | 100 | 134.3 Ų | 134.3 | 54% | 0.535 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -70.5 | -37.6 | 178.8 | -73.1 | -26.6 | 0 | 0 | 0 | 111.4 | T223 L228 K229 F230 | T223-D226 PolarHBondContact O-N 2.92Å; T223-D226 VanDerWaalsContact O-N 3.08Å; T223-D226 PolarHBondContact OG1-OD2 2.99Å; D226-L228 PolarHBondContact O-N 3.25Å; D226-K229 PolarHBondContact O-N 3.33Å; D226-F230 WeakPolarHBondContact O-CB 3.26Å; D226-F230 PolarHBondContact O-N 3.4Å |
| 227 | N | 73.9 | Confident | 65.6 | Low | 112 Ų | 112 | 134.2 Ų | 134.2 | 60% | 0.599 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -62.8 | -40.2 | 171.7 | -76.5 | -17.2 | 0 | 0 | 0 | 112.2 | F230 L231 | N227-F230 PolarHBondContact O-N 3.26Å; N227-L231 WeakPolarHBondContact O-CB 3.39Å; N227-L231 WeakPolarHBondContact O-CG 3Å; N227-L231 PolarHBondContact O-N 3.1Å |
| 228 | L | 77.6 | Confident | 68.2 | Low | 116 Ų | 116 | 132.9 Ų | 132.9 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.1 | -40.8 | 177.5 | -150.4 | 87.7 | 0 | 0 | 0 | 111.7 | L224 C225 D226 L231 Y232 | L224-L228 PolarHBondContact O-N 3.46Å; L224-L228 VanDerWaalsContact O-N 3.11Å; C225-L228 PolarHBondContact O-N 2.9Å; D226-L228 PolarHBondContact O-N 3.25Å; L228-L231 PolarHBondContact O-N 2.74Å; L228-Y232 WeakPolarHBondContact O-CB 2.86Å; L228-Y232 PolarHBondContact O-N 2.81Å |
| 229 | K | 79 | Confident | 70.9 | Confident | 161 Ų | 161 | 127 Ų | 127 | 70% | 0.7 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.6 | -38.9 | 177.2 | -160 | 174.7 | -173.8 | 178.5 | 0 | 111.5 | C225 D226 Y232 K233 | C225-K229 PolarHBondContact O-N 3.14Å; D226-K229 PolarHBondContact O-N 3.33Å; K229-Y232 PolarHBondContact O-N 3.16Å; K229-K233 WeakPolarHBondContact O-CB 3.02Å; K229-K233 PolarHBondContact O-N 3.4Å |
| 230 | F | 80 | Confident | 73.5 | Confident | 128 Ų | 128 | 124 Ų | 124 | 56% | 0.561 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.8 | -47 | 173 | -177.3 | -96.4 | 0 | 0 | 0 | 111.9 | D226 N227 Y232 K233 R234 | D226-F230 WeakPolarHBondContact O-CB 3.26Å; D226-F230 PolarHBondContact O-N 3.4Å; N227-F230 PolarHBondContact O-N 3.26Å; F230-Y232 PolarHBondContact O-N 3.38Å; F230-K233 PolarHBondContact O-N 2.82Å; F230-R234 WeakPolarHBondContact O-CB 3.44Å; F230-R234 PolarHBondContact O-N 3.2Å |
| 231 | L | 81.8 | Confident | 76 | Confident | 111 Ų | 111 | 117.8 Ų | 117.8 | 58% | 0.581 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.4 | -43.4 | 175.1 | -82.3 | 163.7 | 0 | 0 | 0 | 112 | N227 L228 R234 L235 | N227-L231 WeakPolarHBondContact O-CB 3.39Å; N227-L231 WeakPolarHBondContact O-CG 3Å; N227-L231 PolarHBondContact O-N 3.1Å; L228-L231 PolarHBondContact O-N 2.74Å; L231-R234 PolarHBondContact O-N 2.79Å; L231-L235 WeakPolarHBondContact O-CB 3.46Å; L231-L235 PolarHBondContact O-N 3.43Å |
| 232 | Y | 85.5 | Confident | 78.5 | Confident | 161 Ų | 161 | 118.3 Ų | 118.3 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.2 | -43.5 | 176.2 | -173.7 | -95.4 | 0 | 0 | 0 | 111.9 | L228 K229 F230 R234 L235 R236 | L228-Y232 WeakPolarHBondContact O-CB 2.86Å; L228-Y232 PolarHBondContact O-N 2.81Å; K229-Y232 PolarHBondContact O-N 3.16Å; F230-Y232 PolarHBondContact O-N 3.38Å; Y232-R234 PolarHBondContact O-N 2.8Å; Y232-L235 PolarHBondContact O-N 2.76Å; Y232-R236 WeakPolarHBondContact O-CB 3.28Å; Y232-R236 PolarHBondContact O-N 2.74Å |
| 233 | K | 85.3 | Confident | 80.5 | Confident | 155 Ų | 155 | 116.2 Ų | 116.2 | 67% | 0.674 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.4 | -41.3 | 177 | -166.8 | 177 | -178.4 | -178.6 | 0 | 111.6 | K229 F230 R236 Q237 | K229-K233 WeakPolarHBondContact O-CB 3.02Å; K229-K233 PolarHBondContact O-N 3.4Å; F230-K233 PolarHBondContact O-N 2.82Å; K233-R236 PolarHBondContact O-N 3.41Å; K233-Q237 WeakPolarHBondContact O-CB 3.32Å; K233-Q237 PolarHBondContact O-N 3.44Å |
| 234 | R | 87.4 | Confident | 82 | Confident | 170 Ų | 170 | 116.5 Ų | 116.5 | 64% | 0.642 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.8 | -43 | 176.3 | -170.8 | 170.5 | -179.3 | 138.6 | -0.3 | 112.1 | F230 L231 Y232 R236 Q237 E238 | F230-R234 WeakPolarHBondContact O-CB 3.44Å; F230-R234 PolarHBondContact O-N 3.2Å; L231-R234 PolarHBondContact O-N 2.79Å; Y232-R234 PolarHBondContact O-N 2.8Å; R234-R236 VanDerWaalsContact C-N 3.34Å; R234-R236 PolarHBondContact O-N 2.76Å; R234-Q237 PolarHBondContact O-N 2.76Å; R234-E238 WeakPolarHBondContact O-CB 3.29Å; R234-E238 PolarHBondContact O-N 2.97Å |
| 235 | L | 88 | Confident | 83.6 | Confident | 125 Ų | 125 | 118 Ų | 118 | 65% | 0.654 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.9 | -41.4 | 176.5 | -167.2 | 80.3 | 0 | 0 | 0 | 111.4 | L231 Y232 E238 A239 | L231-L235 WeakPolarHBondContact O-CB 3.46Å; L231-L235 PolarHBondContact O-N 3.43Å; Y232-L235 PolarHBondContact O-N 2.76Å; L235-E238 PolarHBondContact O-N 3.41Å; L235-A239 WeakPolarHBondContact O-CB 3.01Å; L235-A239 PolarHBondContact O-N 3.48Å |
| 236 | R | 89.2 | Confident | 85 | Confident | 149 Ų | 149 | 118.4 Ų | 118.4 | 56% | 0.562 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64 | -45.8 | 175.6 | -176.8 | 179 | 177 | 164.7 | 6 | 111.8 | Y232 K233 R234 E238 A239 E240 | Y232-R236 WeakPolarHBondContact O-CB 3.28Å; Y232-R236 PolarHBondContact O-N 2.74Å; K233-R236 PolarHBondContact O-N 3.41Å; R234-R236 VanDerWaalsContact C-N 3.34Å; R234-R236 PolarHBondContact O-N 2.76Å; R236-E238 VanDerWaalsContact C-N 3.26Å; R236-E238 PolarHBondContact O-N 3.34Å; R236-A239 PolarHBondContact O-N 2.95Å; R236-E240 IonicContact NE-OE1 3.32Å; R236-E240 PolarHBondContact NE-OE1 2.98Å; R236-E240 VanDerWaalsContact NE-OE1 3.17Å; R236-E240 WeakPolarHBondContact O-CG 3.44Å; R236-E240 PolarHBondContact O-N 3.24Å |
| 237 | Q | 88.3 | Confident | 86.1 | Confident | 97 Ų | 97 | 116.4 Ų | 116.4 | 45% | 0.453 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.7 | -41.7 | 175.5 | -169 | 68.9 | 49.7 | 0 | 0 | 111.1 | K233 R234 E240 N241 | K233-Q237 WeakPolarHBondContact O-CB 3.32Å; K233-Q237 PolarHBondContact O-N 3.44Å; R234-Q237 PolarHBondContact O-N 2.76Å; Q237-E240 PolarHBondContact O-N 3.4Å; Q237-N241 WeakPolarHBondContact O-CB 3.47Å; Q237-N241 PolarHBondContact O-N 3.5Å; Q237-N241 PolarHBondContact O-ND2 2.84Å; Q237-N241 PolarHBondContact O-OD1 3.11Å |
| 238 | E | 89 | Confident | 86.8 | Confident | 108 Ų | 108 | 114 Ų | 114 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.8 | -34 | 179.4 | -154.2 | 67.2 | 172.5 | 0 | 0 | 112.7 | R234 L235 R236 N241 L242 | R234-E238 WeakPolarHBondContact O-CB 3.29Å; R234-E238 PolarHBondContact O-N 2.97Å; L235-E238 PolarHBondContact O-N 3.41Å; R236-E238 VanDerWaalsContact C-N 3.26Å; R236-E238 PolarHBondContact O-N 3.34Å; E238-N241 PolarHBondContact O-N 3.05Å; E238-N241 PolarHBondContact OE2-ND2 3.46Å; E238-N241 VanDerWaalsContact OE2-ND2 3.14Å; E238-L242 WeakPolarHBondContact O-CB 3.43Å; E238-L242 WeakPolarHBondContact O-CG 3.38Å; E238-L242 PolarHBondContact O-N 3.47Å |
| 239 | A | 88.6 | Confident | 87.3 | Confident | 56 Ų | 56 | 111.4 Ų | 111.4 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L235 R236 L242 E243 | L235-A239 WeakPolarHBondContact O-CB 3.01Å; L235-A239 PolarHBondContact O-N 3.48Å; R236-A239 PolarHBondContact O-N 2.95Å; A239-L242 PolarHBondContact O-N 2.96Å; A239-E243 PolarHBondContact O-N 3.35Å |
| 240 | E | 89.4 | Confident | 87.8 | Confident | 88 Ų | 88 | 108.1 Ų | 108.1 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 174.3 | -71.8 | 169.9 | -167.3 | 0 | 0 | 111.3 | R236 Q237 L242 E243 T244 | R236-E240 IonicContact NE-OE1 3.32Å; R236-E240 PolarHBondContact NE-OE1 2.98Å; R236-E240 VanDerWaalsContact NE-OE1 3.17Å; R236-E240 WeakPolarHBondContact O-CG 3.44Å; R236-E240 PolarHBondContact O-N 3.24Å; Q237-E240 PolarHBondContact O-N 3.4Å; E240-L242 VanDerWaalsContact C-N 3.35Å; E240-L242 PolarHBondContact O-N 2.9Å; E240-E243 PolarHBondContact O-N 2.88Å; E240-T244 WeakPolarHBondContact O-CG2 3.44Å; E240-T244 PolarHBondContact O-N 3.21Å; E240-T244 PolarHBondContact O-OG1 3.4Å; E240-T244 VanDerWaalsContact O-OG1 3.11Å |
| 241 | N | 89.7 | Confident | 88.1 | Confident | 70 Ų | 70 | 105.4 Ų | 105.4 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 173.2 | -68 | -17.9 | 0 | 0 | 0 | 111.8 | Q237 E238 T244 W245 | Q237-N241 WeakPolarHBondContact O-CB 3.47Å; Q237-N241 PolarHBondContact O-N 3.5Å; Q237-N241 PolarHBondContact O-ND2 2.84Å; Q237-N241 PolarHBondContact O-OD1 3.11Å; E238-N241 PolarHBondContact O-N 3.05Å; E238-N241 PolarHBondContact OE2-ND2 3.46Å; E238-N241 VanDerWaalsContact OE2-ND2 3.14Å; N241-T244 WeakPolarHBondContact CA-OG1 3.17Å; N241-T244 PolarHBondContact O-OG1 3.44Å; N241-W245 WeakPolarHBondContact O-CB 3.44Å; N241-W245 PolarHBondContact O-N 3.22Å |
| 242 | L | 89.4 | Confident | 88.5 | Confident | 111 Ų | 111 | 106.1 Ų | 106.1 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.8 | -39.4 | 176.4 | -79.1 | 166.7 | 0 | 0 | 0 | 112.3 | E238 A239 E240 W245 K246 | E238-L242 WeakPolarHBondContact O-CB 3.43Å; E238-L242 WeakPolarHBondContact O-CG 3.38Å; E238-L242 PolarHBondContact O-N 3.47Å; A239-L242 PolarHBondContact O-N 2.96Å; E240-L242 VanDerWaalsContact C-N 3.35Å; E240-L242 PolarHBondContact O-N 2.9Å; L242-W245 PolarHBondContact O-N 2.78Å; L242-K246 WeakPolarHBondContact O-CB 3.47Å; L242-K246 PolarHBondContact O-N 3.4Å |
| 243 | E | 89.1 | Confident | 88.8 | Confident | 93 Ų | 93 | 104 Ų | 104 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.6 | -41.2 | 177.8 | -165.8 | 61.3 | -152.5 | 0 | 0 | 111.4 | A239 E240 W245 K246 C247 | A239-E243 PolarHBondContact O-N 3.35Å; E240-E243 PolarHBondContact O-N 2.88Å; E243-W245 VanDerWaalsContact C-N 3.32Å; E243-W245 PolarHBondContact O-N 3.15Å; E243-K246 WeakPolarHBondContact O-CB 3.36Å; E243-K246 PolarHBondContact O-N 3.48Å; E243-K246 IonicContact OE1-NZ 2.89Å; E243-K246 PolarHBondContact OE1-NZ 3Å; E243-K246 IonicContact OE2-NZ 3.71Å; E243-K246 PolarHBondContact OE2-NZ 3.24Å; E243-C247 PolarHBondContact O-N 2.78Å; E243-C247 PolarHBondContact O-SG 3.32Å |
| 244 | T | 88.4 | Confident | 89 | Confident | 91 Ų | 91 | 102.2 Ų | 102.2 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.1 | -38.8 | 173.7 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | E240 N241 C247 C248 | E240-T244 WeakPolarHBondContact O-CG2 3.44Å; E240-T244 PolarHBondContact O-N 3.21Å; E240-T244 PolarHBondContact O-OG1 3.4Å; E240-T244 VanDerWaalsContact O-OG1 3.11Å; N241-T244 WeakPolarHBondContact CA-OG1 3.17Å; N241-T244 PolarHBondContact O-OG1 3.44Å; T244-C247 PolarHBondContact O-N 3.36Å; T244-C248 WeakPolarHBondContact O-CB 3.32Å; T244-C248 PolarHBondContact O-N 3.04Å |
| 245 | W | 89.3 | Confident | 89.1 | Confident | 179 Ų | 179 | 99.6 Ų | 99.6 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 174.5 | -163.5 | 75.1 | 0 | 0 | 0 | 112.1 | N241 L242 E243 C248 T249 | N241-W245 WeakPolarHBondContact O-CB 3.44Å; N241-W245 PolarHBondContact O-N 3.22Å; L242-W245 PolarHBondContact O-N 2.78Å; E243-W245 VanDerWaalsContact C-N 3.32Å; E243-W245 PolarHBondContact O-N 3.15Å; W245-C248 PolarHBondContact O-N 2.84Å; W245-T249 HydrophobicContact CD2-CG2 4.18Å; W245-T249 HydrophobicContact CE3-CG2 4.37Å; W245-T249 HydrophobicContact CH2-CG2 4.46Å; W245-T249 HydrophobicContact CZ2-CG2 4.28Å; W245-T249 WeakPolarHBondContact O-CB 3.01Å; W245-T249 WeakPolarHBondContact O-CG2 3.33Å; W245-T249 PolarHBondContact O-N 2.8Å; W245-T249 PolarHBondContact O-OG1 2.81Å |
| 246 | K | 90.1 | Very high | 89.3 | Confident | 105 Ų | 105 | 99.2 Ų | 99.2 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 174.1 | 177.3 | 179.9 | 154.4 | -135.8 | 0 | 112.3 | L242 E243 T249 M250 | L242-K246 WeakPolarHBondContact O-CB 3.47Å; L242-K246 PolarHBondContact O-N 3.4Å; E243-K246 WeakPolarHBondContact O-CB 3.36Å; E243-K246 PolarHBondContact O-N 3.48Å; E243-K246 IonicContact OE1-NZ 2.89Å; E243-K246 PolarHBondContact OE1-NZ 3Å; E243-K246 IonicContact OE2-NZ 3.71Å; E243-K246 PolarHBondContact OE2-NZ 3.24Å; K246-T249 WeakPolarHBondContact CA-OG1 3.05Å; K246-T249 PolarHBondContact O-N 2.91Å; K246-T249 PolarHBondContact O-OG1 2.97Å; K246-M250 VanDerWaalsContact O-CB 3.29Å; K246-M250 WeakPolarHBondContact O-CB 3.34Å; K246-M250 PolarHBondContact O-N 3.27Å |
| 247 | C | 88.7 | Confident | 89.4 | Confident | 58 Ų | 58 | 95.3 Ų | 95.3 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 174.4 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | E243 T244 T249 M250 S251 | E243-C247 PolarHBondContact O-N 2.78Å; E243-C247 PolarHBondContact O-SG 3.32Å; T244-C247 PolarHBondContact O-N 3.36Å; C247-T249 PolarHBondContact O-N 3.43Å; C247-M250 PolarHBondContact O-N 2.83Å; C247-S251 PolarHBondContact O-N 3.41Å; C247-S251 PolarHBondContact O-OG 2.83Å |
| 248 | C | 88.6 | Confident | 89.5 | Confident | 63 Ų | 63 | 96 Ų | 96 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 179.7 | -175 | 0 | 0 | 0 | 0 | 112.4 | T244 W245 K252 | T244-C248 WeakPolarHBondContact O-CB 3.32Å; T244-C248 PolarHBondContact O-N 3.04Å; W245-C248 PolarHBondContact O-N 2.84Å; C248-K252 WeakPolarHBondContact O-CG 3.37Å; C248-K252 PolarHBondContact O-N 3.38Å |
| 249 | T | 87.7 | Confident | 89.6 | Confident | 60 Ų | 60 | 93.4 Ų | 93.4 | 37% | 0.368 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.6 | -36.8 | 176.4 | 49 | 0 | 0 | 0 | 0 | 112.4 | W245 K246 C247 K252 L253 | W245-T249 HydrophobicContact CD2-CG2 4.18Å; W245-T249 HydrophobicContact CE3-CG2 4.37Å; W245-T249 HydrophobicContact CH2-CG2 4.46Å; W245-T249 HydrophobicContact CZ2-CG2 4.28Å; W245-T249 WeakPolarHBondContact O-CB 3.01Å; W245-T249 WeakPolarHBondContact O-CG2 3.33Å; W245-T249 PolarHBondContact O-N 2.8Å; W245-T249 PolarHBondContact O-OG1 2.81Å; K246-T249 WeakPolarHBondContact CA-OG1 3.05Å; K246-T249 PolarHBondContact O-N 2.91Å; K246-T249 PolarHBondContact O-OG1 2.97Å; C247-T249 PolarHBondContact O-N 3.43Å; T249-K252 PolarHBondContact O-N 3.43Å; T249-L253 WeakPolarHBondContact O-CB 3.5Å; T249-L253 PolarHBondContact O-N 2.97Å |
| 250 | M | 89.7 | Confident | 89.7 | Confident | 92 Ų | 92 | 95.7 Ų | 95.7 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 175.6 | -170.1 | 164.1 | 49.5 | 0 | 0 | 112.2 | K246 C247 K252 L253 E254 | K246-M250 VanDerWaalsContact O-CB 3.29Å; K246-M250 WeakPolarHBondContact O-CB 3.34Å; K246-M250 PolarHBondContact O-N 3.27Å; C247-M250 PolarHBondContact O-N 2.83Å; M250-K252 VanDerWaalsContact C-N 3.33Å; M250-K252 PolarHBondContact O-N 3.44Å; M250-L253 WeakPolarHBondContact O-CB 3.41Å; M250-L253 PolarHBondContact O-N 3.23Å; M250-L253 VanDerWaalsContact O-N 3.08Å; M250-E254 PolarHBondContact O-N 3.43Å |
| 251 | S | 87.9 | Confident | 89.8 | Confident | 72 Ų | 72 | 97.3 Ų | 97.3 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 175.6 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | C247 L253 E254 E255 | C247-S251 PolarHBondContact O-N 3.41Å; C247-S251 PolarHBondContact O-OG 2.83Å; S251-L253 VanDerWaalsContact C-N 3.3Å; S251-L253 PolarHBondContact O-N 3.44Å; S251-E254 PolarHBondContact O-N 3.26Å; S251-E255 PolarHBondContact O-N 3.29Å |
| 252 | K | 90.1 | Very high | 89.9 | Confident | 125 Ų | 125 | 97.1 Ų | 97.1 | 54% | 0.543 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 173.6 | -75.2 | 177.3 | -179.7 | 178.3 | 0 | 112.3 | C248 T249 M250 K256 | C248-K252 WeakPolarHBondContact O-CG 3.37Å; C248-K252 PolarHBondContact O-N 3.38Å; T249-K252 PolarHBondContact O-N 3.43Å; M250-K252 VanDerWaalsContact C-N 3.33Å; M250-K252 PolarHBondContact O-N 3.44Å; K252-K256 VanDerWaalsContact O-CG 3.24Å; K252-K256 WeakPolarHBondContact O-CG 3.42Å; K252-K256 PolarHBondContact O-N 2.89Å; K252-K256 VanDerWaalsContact O-N 3.11Å |
| 253 | L | 90.1 | Very high | 90 | Very high | 117 Ų | 117 | 98.8 Ų | 98.8 | 61% | 0.613 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.1 | -41 | 177.3 | -164.3 | 73.8 | 0 | 0 | 0 | 111.3 | T249 M250 S251 K256 C257 | T249-L253 WeakPolarHBondContact O-CB 3.5Å; T249-L253 PolarHBondContact O-N 2.97Å; M250-L253 WeakPolarHBondContact O-CB 3.41Å; M250-L253 PolarHBondContact O-N 3.23Å; M250-L253 VanDerWaalsContact O-N 3.08Å; S251-L253 VanDerWaalsContact C-N 3.3Å; S251-L253 PolarHBondContact O-N 3.44Å; L253-K256 PolarHBondContact O-N 3.45Å; L253-C257 PolarHBondContact O-N 3.42Å |
| 254 | E | 90.9 | Very high | 90.2 | Very high | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 175 | -73.3 | 174.8 | 171.1 | 0 | 0 | 112.1 | M250 S251 K256 C257 L258 | M250-E254 PolarHBondContact O-N 3.43Å; S251-E254 PolarHBondContact O-N 3.26Å; E254-K256 VanDerWaalsContact C-N 3.31Å; E254-K256 PolarHBondContact O-N 2.92Å; E254-C257 WeakPolarHBondContact O-CB 3.13Å; E254-C257 PolarHBondContact O-N 2.9Å; E254-C257 VanDerWaalsContact O-N 3.17Å; E254-L258 PolarHBondContact O-N 3.38Å |
| 255 | E | 89.4 | Confident | 90.4 | Very high | 115 Ų | 115 | 99.5 Ų | 99.5 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 173.3 | -172.1 | -175.9 | -179.1 | 0 | 0 | 111 | S251 C257 L258 D259 | S251-E255 PolarHBondContact O-N 3.29Å; E255-C257 VanDerWaalsContact C-N 3.35Å; E255-C257 PolarHBondContact O-N 2.82Å; E255-L258 PolarHBondContact O-N 2.83Å; E255-D259 PolarHBondContact O-N 3.12Å |
| 256 | K | 91.1 | Very high | 90.5 | Very high | 116 Ų | 116 | 95.4 Ų | 95.4 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -33.5 | 176.6 | -70.5 | -73.8 | 151.3 | -129.7 | 0 | 113.1 | K252 L253 E254 D259 L260 | K252-K256 VanDerWaalsContact O-CG 3.24Å; K252-K256 WeakPolarHBondContact O-CG 3.42Å; K252-K256 PolarHBondContact O-N 2.89Å; K252-K256 VanDerWaalsContact O-N 3.11Å; L253-K256 PolarHBondContact O-N 3.45Å; E254-K256 VanDerWaalsContact C-N 3.31Å; E254-K256 PolarHBondContact O-N 2.92Å; K256-D259 IonicContact NZ-OD2 3.54Å; K256-D259 PolarHBondContact NZ-OD2 3.34Å; K256-L260 WeakPolarHBondContact O-CB 3.14Å; K256-L260 PolarHBondContact O-N 3.17Å |
| 257 | C | 91.1 | Very high | 90.6 | Very high | 67 Ų | 67 | 93.6 Ų | 93.6 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 173.1 | -80.9 | 0 | 0 | 0 | 0 | 112.1 | L253 E254 E255 L260 Q261 | L253-C257 PolarHBondContact O-N 3.42Å; E254-C257 WeakPolarHBondContact O-CB 3.13Å; E254-C257 PolarHBondContact O-N 2.9Å; E254-C257 VanDerWaalsContact O-N 3.17Å; E255-C257 VanDerWaalsContact C-N 3.35Å; E255-C257 PolarHBondContact O-N 2.82Å; C257-L260 PolarHBondContact O-N 2.86Å; C257-Q261 PolarHBondContact O-N 3.34Å |
| 258 | L | 91.6 | Very high | 90.7 | Very high | 113 Ų | 113 | 94.8 Ų | 94.8 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.8 | -42.9 | 175.1 | -73 | 169.4 | 0 | 0 | 0 | 111.7 | E254 E255 L260 Q261 S262 | E254-L258 PolarHBondContact O-N 3.38Å; E255-L258 PolarHBondContact O-N 2.83Å; L258-L260 VanDerWaalsContact C-N 3.33Å; L258-L260 PolarHBondContact O-N 3.35Å; L258-Q261 PolarHBondContact O-N 2.74Å; L258-S262 PolarHBondContact O-N 3.11Å |
| 259 | D | 90.5 | Very high | 90.9 | Very high | 53 Ų | 53 | 95.3 Ų | 95.3 | 28% | 0.283 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -54.5 | -50.3 | 172.7 | -76.7 | -18.4 | 0 | 0 | 0 | 110.4 | E255 K256 Q261 S262 Y263 | E255-D259 PolarHBondContact O-N 3.12Å; K256-D259 IonicContact NZ-OD2 3.54Å; K256-D259 PolarHBondContact NZ-OD2 3.34Å; D259-Q261 PolarHBondContact O-N 3.24Å; D259-S262 WeakPolarHBondContact O-CB 3.45Å; D259-S262 PolarHBondContact O-N 2.82Å; D259-S262 VanDerWaalsContact O-N 3.16Å; D259-S262 PolarHBondContact O-OG 3.27Å; D259-Y263 HydrophobicContact CB-CE2 4.27Å; D259-Y263 WeakPolarHBondContact O-CD2 3.1Å; D259-Y263 PolarHBondContact O-N 3.49Å |
| 260 | L | 91.4 | Very high | 91 | Very high | 103 Ų | 103 | 97.3 Ų | 97.3 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.7 | -46 | 178.7 | -94.6 | 155.4 | 0 | 0 | 0 | 112.8 | K256 C257 L258 S262 Y263 E264 | K256-L260 WeakPolarHBondContact O-CB 3.14Å; K256-L260 PolarHBondContact O-N 3.17Å; C257-L260 PolarHBondContact O-N 2.86Å; L258-L260 VanDerWaalsContact C-N 3.33Å; L258-L260 PolarHBondContact O-N 3.35Å; L260-S262 VanDerWaalsContact C-N 3.3Å; L260-S262 PolarHBondContact O-N 2.87Å; L260-Y263 PolarHBondContact O-N 3.46Å; L260-E264 WeakPolarHBondContact O-CG 3.33Å; L260-E264 PolarHBondContact O-N 3.1Å |
| 261 | Q | 92 | Very high | 91.2 | Very high | 123 Ų | 123 | 100.3 Ų | 100.3 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -37.6 | 176.5 | -74.9 | 180 | -8.6 | 0 | 0 | 112.3 | C257 L258 D259 E264 S265 | C257-Q261 PolarHBondContact O-N 3.34Å; L258-Q261 PolarHBondContact O-N 2.74Å; D259-Q261 PolarHBondContact O-N 3.24Å; Q261-E264 PolarHBondContact O-N 3.2Å; Q261-S265 WeakPolarHBondContact O-CB 3.33Å; Q261-S265 PolarHBondContact O-N 3.45Å |
| 262 | S | 91.5 | Very high | 91.4 | Very high | 65 Ų | 65 | 104.1 Ų | 104.1 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 176 | 83.4 | 0 | 0 | 0 | 0 | 111.8 | L258 D259 L260 S265 L266 | L258-S262 PolarHBondContact O-N 3.11Å; D259-S262 WeakPolarHBondContact O-CB 3.45Å; D259-S262 PolarHBondContact O-N 2.82Å; D259-S262 VanDerWaalsContact O-N 3.16Å; D259-S262 PolarHBondContact O-OG 3.27Å; L260-S262 VanDerWaalsContact C-N 3.3Å; L260-S262 PolarHBondContact O-N 2.87Å; S262-S265 PolarHBondContact O-N 2.75Å; S262-L266 WeakPolarHBondContact O-CB 3.21Å; S262-L266 PolarHBondContact O-N 3.32Å |
| 263 | Y | 91.7 | Very high | 91.4 | Very high | 147 Ų | 147 | 100.7 Ų | 100.7 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.7 | -40.8 | 176.2 | -72.6 | -60.3 | 0 | 0 | 0 | 111.9 | D259 L260 L266 V267 | D259-Y263 HydrophobicContact CB-CE2 4.27Å; D259-Y263 WeakPolarHBondContact O-CD2 3.1Å; D259-Y263 PolarHBondContact O-N 3.49Å; L260-Y263 PolarHBondContact O-N 3.46Å; Y263-L266 PolarHBondContact O-N 2.79Å; Y263-V267 VanDerWaalsContact O-CG2 3.29Å; Y263-V267 WeakPolarHBondContact O-CG2 3.4Å; Y263-V267 PolarHBondContact O-N 3.5Å |
| 264 | E | 92.7 | Very high | 91.4 | Very high | 131 Ų | 131 | 100.4 Ų | 100.4 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 174.6 | -75.4 | -179.6 | 169.1 | 0 | 0 | 111.7 | L260 Q261 L266 V267 E268 | L260-E264 WeakPolarHBondContact O-CG 3.33Å; L260-E264 PolarHBondContact O-N 3.1Å; Q261-E264 PolarHBondContact O-N 3.2Å; E264-L266 VanDerWaalsContact C-N 3.33Å; E264-L266 PolarHBondContact O-N 2.88Å; E264-V267 PolarHBondContact O-N 3.32Å; E264-E268 WeakPolarHBondContact O-CB 3.24Å; E264-E268 PolarHBondContact O-N 2.85Å |
| 265 | S | 92.3 | Very high | 91.4 | Very high | 67 Ų | 67 | 100 Ų | 100 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 175 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | Q261 S262 E268 N269 | Q261-S265 WeakPolarHBondContact O-CB 3.33Å; Q261-S265 PolarHBondContact O-N 3.45Å; S262-S265 PolarHBondContact O-N 2.75Å; S265-E268 PolarHBondContact O-N 2.82Å; S265-N269 WeakPolarHBondContact O-CB 3.15Å; S265-N269 PolarHBondContact O-N 3.02Å; S265-N269 PolarHBondContact O-ND2 3.08Å |
| 266 | L | 92.5 | Very high | 91.5 | Very high | 94 Ų | 94 | 100.6 Ų | 100.6 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 176.4 | -178.4 | 63.6 | 0 | 0 | 0 | 111.9 | S262 Y263 E264 E268 N269 L270 | S262-L266 WeakPolarHBondContact O-CB 3.21Å; S262-L266 PolarHBondContact O-N 3.32Å; Y263-L266 PolarHBondContact O-N 2.79Å; E264-L266 VanDerWaalsContact C-N 3.33Å; E264-L266 PolarHBondContact O-N 2.88Å; L266-E268 VanDerWaalsContact C-N 3.31Å; L266-E268 PolarHBondContact O-N 3.42Å; L266-N269 PolarHBondContact O-N 3.45Å; L266-L270 HydrophobicContact CG-CD1 4.23Å; L266-L270 WeakPolarHBondContact O-CB 3.13Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 3.11Å |
| 267 | V | 90.7 | Very high | 91.4 | Very high | 66 Ų | 66 | 99.7 Ų | 99.7 | 40% | 0.4 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 176.6 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | Y263 E264 L270 R271 | Y263-V267 VanDerWaalsContact O-CG2 3.29Å; Y263-V267 WeakPolarHBondContact O-CG2 3.4Å; Y263-V267 PolarHBondContact O-N 3.5Å; E264-V267 PolarHBondContact O-N 3.32Å; V267-L270 PolarHBondContact O-N 3.4Å; V267-R271 WeakPolarHBondContact O-CG 3.37Å; V267-R271 PolarHBondContact O-N 3.47Å |
| 268 | E | 91.7 | Very high | 91.4 | Very high | 83 Ų | 83 | 101.5 Ų | 101.5 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.6 | -36.2 | 179.9 | -164.7 | 54.8 | -145.2 | 0 | 0 | 112.6 | E264 S265 L266 R271 R272 | E264-E268 WeakPolarHBondContact O-CB 3.24Å; E264-E268 PolarHBondContact O-N 2.85Å; S265-E268 PolarHBondContact O-N 2.82Å; L266-E268 VanDerWaalsContact C-N 3.31Å; L266-E268 PolarHBondContact O-N 3.42Å; E268-R271 PolarHBondContact O-N 2.87Å; E268-R271 IonicContact OE2-NH1 2.76Å; E268-R271 PolarHBondContact OE2-NH1 3.5Å; E268-R271 VanDerWaalsContact OE2-NH1 3.09Å; E268-R272 PolarHBondContact O-N 2.94Å |
| 269 | N | 91.7 | Very high | 91.3 | Very high | 74 Ų | 74 | 101.3 Ų | 101.3 | 40% | 0.396 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 171.3 | -70.7 | -26.7 | 0 | 0 | 0 | 111.6 | S265 L266 R272 A273 | S265-N269 WeakPolarHBondContact O-CB 3.15Å; S265-N269 PolarHBondContact O-N 3.02Å; S265-N269 PolarHBondContact O-ND2 3.08Å; L266-N269 PolarHBondContact O-N 3.45Å; N269-R272 PolarHBondContact O-N 2.96Å; N269-R272 PolarHBondContact OD1-NH2 3.02Å; N269-A273 WeakPolarHBondContact O-CB 3.46Å; N269-A273 PolarHBondContact O-N 2.81Å |
| 270 | L | 91.5 | Very high | 91.2 | Very high | 103 Ų | 103 | 103 Ų | 103 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 175.8 | -74.8 | 170.5 | 0 | 0 | 0 | 112 | L266 V267 A273 N274 | L266-L270 HydrophobicContact CG-CD1 4.23Å; L266-L270 WeakPolarHBondContact O-CB 3.13Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 3.11Å; V267-L270 PolarHBondContact O-N 3.4Å; L270-A273 PolarHBondContact O-N 3.27Å; L270-N274 WeakPolarHBondContact O-CB 3.49Å; L270-N274 PolarHBondContact O-N 2.83Å |
| 271 | R | 92.6 | Very high | 91 | Very high | 154 Ų | 154 | 103.7 Ų | 103.7 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.3 | -47.3 | 173.1 | -78.5 | -177.5 | -176.5 | 140.7 | -0.7 | 111.8 | V267 E268 N274 L275 | V267-R271 WeakPolarHBondContact O-CG 3.37Å; V267-R271 PolarHBondContact O-N 3.47Å; E268-R271 PolarHBondContact O-N 2.87Å; E268-R271 IonicContact OE2-NH1 2.76Å; E268-R271 PolarHBondContact OE2-NH1 3.5Å; E268-R271 VanDerWaalsContact OE2-NH1 3.09Å; R271-N274 PolarHBondContact O-N 2.99Å; R271-L275 PolarHBondContact O-N 3.39Å |
| 272 | R | 91.7 | Very high | 90.9 | Very high | 153 Ų | 153 | 102.7 Ų | 102.7 | 58% | 0.577 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.8 | -45.9 | 176.7 | -79.5 | -172.9 | -82.6 | 164.5 | -5.8 | 112.2 | E268 N269 N274 L275 E276 | E268-R272 PolarHBondContact O-N 2.94Å; N269-R272 PolarHBondContact O-N 2.96Å; N269-R272 PolarHBondContact OD1-NH2 3.02Å; R272-N274 PolarHBondContact O-N 2.95Å; R272-L275 PolarHBondContact O-N 2.81Å; R272-E276 PolarHBondContact O-N 2.79Å |
| 273 | A | 90.4 | Very high | 90.8 | Very high | 52 Ų | 52 | 102.8 Ų | 102.8 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N269 L270 E276 L277 | N269-A273 WeakPolarHBondContact O-CB 3.46Å; N269-A273 PolarHBondContact O-N 2.81Å; L270-A273 PolarHBondContact O-N 3.27Å; A273-E276 PolarHBondContact O-N 3.42Å; A273-L277 WeakPolarHBondContact O-CB 3.35Å; A273-L277 PolarHBondContact O-N 3.08Å |
| 274 | N | 89.4 | Confident | 90.6 | Very high | 111 Ų | 111 | 100.4 Ų | 100.4 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 175 | -101.9 | -10.9 | 0 | 0 | 0 | 112.2 | L270 R271 R272 L277 Q278 | L270-N274 WeakPolarHBondContact O-CB 3.49Å; L270-N274 PolarHBondContact O-N 2.83Å; R271-N274 PolarHBondContact O-N 2.99Å; R272-N274 PolarHBondContact O-N 2.95Å; N274-L277 PolarHBondContact O-N 3.24Å; N274-Q278 WeakPolarHBondContact O-CB 3.45Å; N274-Q278 PolarHBondContact O-N 3.35Å |
| 275 | L | 92.4 | Very high | 90.3 | Very high | 111 Ų | 111 | 97.8 Ų | 97.8 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.7 | -41.3 | 178.7 | -148.9 | 116.9 | 0 | 0 | 0 | 111.3 | R271 R272 Q278 M279 | R271-L275 PolarHBondContact O-N 3.39Å; R272-L275 PolarHBondContact O-N 2.81Å; L275-Q278 PolarHBondContact O-N 3.1Å; L275-M279 WeakPolarHBondContact O-CG 3.46Å; L275-M279 PolarHBondContact O-N 2.88Å |
| 276 | E | 91.1 | Very high | 90 | Very high | 126 Ų | 126 | 99.7 Ų | 99.7 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 174.8 | -173.9 | 175 | -174.9 | 0 | 0 | 111.9 | R272 A273 Q278 M279 N280 | R272-E276 PolarHBondContact O-N 2.79Å; A273-E276 PolarHBondContact O-N 3.42Å; E276-Q278 VanDerWaalsContact C-N 3.34Å; E276-Q278 PolarHBondContact O-N 3.24Å; E276-M279 PolarHBondContact O-N 2.91Å; E276-N280 WeakPolarHBondContact O-CB 3.33Å; E276-N280 VanDerWaalsContact O-CG 3.29Å; E276-N280 PolarHBondContact O-N 3.25Å; E276-N280 PolarHBondContact O-ND2 3.11Å |
| 277 | L | 89.9 | Confident | 89.8 | Confident | 98 Ų | 98 | 102 Ų | 102 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175 | -174.7 | 66.8 | 0 | 0 | 0 | 111.6 | A273 N274 N280 M281 | A273-L277 WeakPolarHBondContact O-CB 3.35Å; A273-L277 PolarHBondContact O-N 3.08Å; N274-L277 PolarHBondContact O-N 3.24Å; L277-N280 PolarHBondContact O-N 2.98Å; L277-M281 WeakPolarHBondContact O-CG 3.44Å; L277-M281 PolarHBondContact O-N 3.3Å |
| 278 | Q | 89.8 | Confident | 89.7 | Confident | 104 Ų | 104 | 105.5 Ų | 105.5 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 176.7 | -174.3 | 178.6 | -13.4 | 0 | 0 | 111.5 | N274 L275 E276 N280 M281 E282 | N274-Q278 WeakPolarHBondContact O-CB 3.45Å; N274-Q278 PolarHBondContact O-N 3.35Å; L275-Q278 PolarHBondContact O-N 3.1Å; E276-Q278 VanDerWaalsContact C-N 3.34Å; E276-Q278 PolarHBondContact O-N 3.24Å; Q278-N280 VanDerWaalsContact C-N 3.32Å; Q278-N280 PolarHBondContact O-N 3.39Å; Q278-M281 PolarHBondContact O-N 2.79Å; Q278-E282 PolarHBondContact NE2-OE1 3.28Å; Q278-E282 WeakPolarHBondContact O-CG 3.47Å; Q278-E282 PolarHBondContact O-N 3.08Å |
| 279 | M | 88.8 | Confident | 89.5 | Confident | 110 Ų | 110 | 108.5 Ų | 108.5 | 54% | 0.542 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 176 | -74.9 | -175.3 | 62.2 | 0 | 0 | 112.5 | L275 E276 E282 T283 | L275-M279 WeakPolarHBondContact O-CG 3.46Å; L275-M279 PolarHBondContact O-N 2.88Å; E276-M279 PolarHBondContact O-N 2.91Å; M279-E282 PolarHBondContact O-N 3.34Å; M279-T283 WeakPolarHBondContact O-CB 3.2Å; M279-T283 PolarHBondContact O-N 3.46Å; M279-T283 PolarHBondContact O-OG1 3.32Å |
| 280 | N | 89.1 | Confident | 89.4 | Confident | 88 Ų | 88 | 110 Ų | 110 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 177 | -75.7 | -30.9 | 0 | 0 | 0 | 111.7 | E276 L277 Q278 T283 V284 | E276-N280 WeakPolarHBondContact O-CB 3.33Å; E276-N280 VanDerWaalsContact O-CG 3.29Å; E276-N280 PolarHBondContact O-N 3.25Å; E276-N280 PolarHBondContact O-ND2 3.11Å; L277-N280 PolarHBondContact O-N 2.98Å; Q278-N280 VanDerWaalsContact C-N 3.32Å; Q278-N280 PolarHBondContact O-N 3.39Å; N280-T283 PolarHBondContact O-N 3.31Å; N280-V284 WeakPolarHBondContact O-CG2 3.39Å; N280-V284 PolarHBondContact O-N 3.25Å |
| 281 | M | 88.6 | Confident | 89.2 | Confident | 117 Ų | 117 | 109.7 Ų | 109.7 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 175.3 | -73.5 | -164.6 | -57.6 | 0 | 0 | 112.3 | L277 Q278 T283 V284 S285 | L277-M281 WeakPolarHBondContact O-CG 3.44Å; L277-M281 PolarHBondContact O-N 3.3Å; Q278-M281 PolarHBondContact O-N 2.79Å; M281-T283 VanDerWaalsContact C-N 3.32Å; M281-T283 PolarHBondContact O-N 2.92Å; M281-V284 PolarHBondContact O-N 2.94Å; M281-S285 WeakPolarHBondContact O-CB 3.25Å; M281-S285 PolarHBondContact O-N 2.76Å |
| 282 | E | 89.8 | Confident | 88.9 | Confident | 103 Ų | 103 | 106.1 Ų | 106.1 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 175.6 | -75.3 | 175.2 | -166.5 | 0 | 0 | 111.4 | Q278 M279 S285 L286 | Q278-E282 PolarHBondContact NE2-OE1 3.28Å; Q278-E282 WeakPolarHBondContact O-CG 3.47Å; Q278-E282 PolarHBondContact O-N 3.08Å; M279-E282 PolarHBondContact O-N 3.34Å; E282-S285 PolarHBondContact O-N 3.13Å; E282-L286 PolarHBondContact O-N 2.84Å |
| 283 | T | 89.3 | Confident | 88.7 | Confident | 66 Ų | 66 | 101.4 Ų | 101.4 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 112 | M279 N280 M281 L286 K287 | M279-T283 WeakPolarHBondContact O-CB 3.2Å; M279-T283 PolarHBondContact O-N 3.46Å; M279-T283 PolarHBondContact O-OG1 3.32Å; N280-T283 PolarHBondContact O-N 3.31Å; M281-T283 VanDerWaalsContact C-N 3.32Å; M281-T283 PolarHBondContact O-N 2.92Å; T283-L286 PolarHBondContact O-N 2.87Å; T283-K287 WeakPolarHBondContact O-CG 3.42Å; T283-K287 PolarHBondContact O-N 3.49Å |
| 284 | V | 86.1 | Confident | 88.5 | Confident | 97 Ų | 97 | 103 Ų | 103 | 59% | 0.588 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.9 | -41.2 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | N280 M281 L286 K287 Y288 | N280-V284 WeakPolarHBondContact O-CG2 3.39Å; N280-V284 PolarHBondContact O-N 3.25Å; M281-V284 PolarHBondContact O-N 2.94Å; V284-L286 PolarHBondContact O-N 3.47Å; V284-K287 PolarHBondContact O-N 2.86Å; V284-Y288 WeakPolarHBondContact O-CB 3.14Å; V284-Y288 PolarHBondContact O-N 3.48Å |
| 285 | S | 86.7 | Confident | 88.3 | Confident | 77 Ų | 77 | 105.4 Ų | 105.4 | 54% | 0.538 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 177.6 | -170.9 | 0 | 0 | 0 | 0 | 112.3 | M281 E282 K289 | M281-S285 WeakPolarHBondContact O-CB 3.25Å; M281-S285 PolarHBondContact O-N 2.76Å; E282-S285 PolarHBondContact O-N 3.13Å; S285-K289 WeakPolarHBondContact O-CB 3.25Å; S285-K289 PolarHBondContact O-N 3.44Å |
| 286 | L | 86.9 | Confident | 88.1 | Confident | 107 Ų | 107 | 106.2 Ų | 106.2 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -47.9 | 174.3 | -82 | 160 | 0 | 0 | 0 | 111.2 | E282 T283 V284 Y288 K289 D290 | E282-L286 PolarHBondContact O-N 2.84Å; T283-L286 PolarHBondContact O-N 2.87Å; V284-L286 PolarHBondContact O-N 3.47Å; L286-Y288 VanDerWaalsContact C-N 3.32Å; L286-Y288 PolarHBondContact O-N 3.31Å; L286-K289 WeakPolarHBondContact O-CB 3.34Å; L286-K289 PolarHBondContact O-N 3.02Å; L286-K289 VanDerWaalsContact O-N 3.16Å; L286-D290 PolarHBondContact O-N 3.27Å |
| 287 | K | 88.1 | Confident | 88.1 | Confident | 143 Ų | 143 | 106.6 Ų | 106.6 | 62% | 0.622 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.4 | -41.8 | 176.1 | -74.1 | -178.9 | 179.1 | -178 | 0 | 112.6 | T283 V284 K289 D290 E291 | T283-K287 WeakPolarHBondContact O-CG 3.42Å; T283-K287 PolarHBondContact O-N 3.49Å; V284-K287 PolarHBondContact O-N 2.86Å; K287-K289 VanDerWaalsContact C-N 3.34Å; K287-D290 PolarHBondContact O-N 2.94Å; K287-E291 WeakPolarHBondContact O-CB 3.44Å; K287-E291 PolarHBondContact O-N 3.17Å |
| 288 | Y | 87.3 | Confident | 87.8 | Confident | 139 Ų | 139 | 105.8 Ų | 105.8 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.3 | -177.6 | -107.8 | 0 | 0 | 0 | 112 | V284 L286 E291 L292 | V284-Y288 WeakPolarHBondContact O-CB 3.14Å; V284-Y288 PolarHBondContact O-N 3.48Å; L286-Y288 VanDerWaalsContact C-N 3.32Å; L286-Y288 PolarHBondContact O-N 3.31Å; Y288-E291 PolarHBondContact O-N 2.88Å; Y288-L292 HydrophobicContact CD1-CD1 3.84Å; Y288-L292 HydrophobicContact CD1-CG 4.49Å; Y288-L292 HydrophobicContact CE1-CD1 3.34Å; Y288-L292 HydrophobicContact CE1-CG 4.09Å; Y288-L292 WeakPolarHBondContact O-CB 3.41Å; Y288-L292 WeakPolarHBondContact O-CG 3.46Å; Y288-L292 PolarHBondContact O-N 3.03Å |
| 289 | K | 89.3 | Confident | 87.6 | Confident | 146 Ų | 146 | 104.2 Ų | 104.2 | 64% | 0.635 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.8 | -41.7 | 175.2 | -169.5 | 179 | 179.5 | -177.9 | 0 | 111.9 | S285 L286 K287 L292 A293 | S285-K289 WeakPolarHBondContact O-CB 3.25Å; S285-K289 PolarHBondContact O-N 3.44Å; L286-K289 WeakPolarHBondContact O-CB 3.34Å; L286-K289 PolarHBondContact O-N 3.02Å; L286-K289 VanDerWaalsContact O-N 3.16Å; K287-K289 VanDerWaalsContact C-N 3.34Å; K289-L292 PolarHBondContact O-N 2.72Å; K289-A293 PolarHBondContact O-N 2.95Å |
| 290 | D | 89.3 | Confident | 87.5 | Confident | 104 Ų | 104 | 105.1 Ų | 105.1 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 175.8 | -68.6 | -19.4 | 0 | 0 | 0 | 111.6 | L286 K287 A293 V294 | L286-D290 PolarHBondContact O-N 3.27Å; K287-D290 PolarHBondContact O-N 2.94Å; D290-A293 PolarHBondContact O-N 2.97Å; D290-V294 WeakPolarHBondContact O-CG2 3.35Å; D290-V294 PolarHBondContact O-N 3.45Å |
| 291 | E | 86.3 | Confident | 87.4 | Confident | 97 Ų | 97 | 105.8 Ų | 105.8 | 45% | 0.453 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.2 | -165.9 | -175.5 | 159.1 | 0 | 0 | 111.8 | K287 Y288 V294 R295 | K287-E291 WeakPolarHBondContact O-CB 3.44Å; K287-E291 PolarHBondContact O-N 3.17Å; Y288-E291 PolarHBondContact O-N 2.88Å; E291-V294 PolarHBondContact O-N 3.42Å; E291-R295 WeakPolarHBondContact O-CG 3.45Å; E291-R295 PolarHBondContact O-N 3.25Å; E291-R295 IonicContact OE1-CZ 3.79Å; E291-R295 IonicContact OE1-NE 3.66Å; E291-R295 PolarHBondContact OE1-NE 3.28Å; E291-R295 IonicContact OE1-NH2 2.8Å; E291-R295 PolarHBondContact OE1-NH2 2.68Å |
| 292 | L | 86.1 | Confident | 87.3 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 42% | 0.419 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 173.7 | -82.7 | 173.2 | 0 | 0 | 0 | 111.9 | Y288 K289 V294 R295 E296 | Y288-L292 HydrophobicContact CD1-CD1 3.84Å; Y288-L292 HydrophobicContact CD1-CG 4.49Å; Y288-L292 HydrophobicContact CE1-CD1 3.34Å; Y288-L292 HydrophobicContact CE1-CG 4.09Å; Y288-L292 WeakPolarHBondContact O-CB 3.41Å; Y288-L292 WeakPolarHBondContact O-CG 3.46Å; Y288-L292 PolarHBondContact O-N 3.03Å; K289-L292 PolarHBondContact O-N 2.72Å; L292-V294 VanDerWaalsContact C-N 3.3Å; L292-V294 PolarHBondContact O-N 3.21Å; L292-R295 PolarHBondContact O-N 3.41Å; L292-E296 WeakPolarHBondContact O-CB 3.4Å; L292-E296 PolarHBondContact O-N 3.33Å |
| 293 | A | 87.6 | Confident | 87 | Confident | 53 Ų | 53 | 105 Ų | 105 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K289 D290 K297 | K289-A293 PolarHBondContact O-N 2.95Å; D290-A293 PolarHBondContact O-N 2.97Å; A293-K297 WeakPolarHBondContact O-CB 3.36Å; A293-K297 PolarHBondContact O-N 2.83Å |
| 294 | V | 87.5 | Confident | 86.8 | Confident | 87 Ų | 87 | 104 Ų | 104 | 53% | 0.527 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 174.9 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | D290 E291 L292 K297 L298 | D290-V294 WeakPolarHBondContact O-CG2 3.35Å; D290-V294 PolarHBondContact O-N 3.45Å; E291-V294 PolarHBondContact O-N 3.42Å; L292-V294 VanDerWaalsContact C-N 3.3Å; L292-V294 PolarHBondContact O-N 3.21Å; V294-K297 PolarHBondContact O-N 3.23Å; V294-L298 HydrophobicContact CG1-CD1 4.1Å; V294-L298 WeakPolarHBondContact O-CB 3.44Å; V294-L298 PolarHBondContact O-N 3.1Å |
| 295 | R | 85.5 | Confident | 86.7 | Confident | 160 Ų | 160 | 103.7 Ų | 103.7 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -39.8 | 176.6 | -73.2 | -178.8 | -174.8 | -148.8 | 4.9 | 112.2 | E291 L292 L298 S299 | E291-R295 WeakPolarHBondContact O-CG 3.45Å; E291-R295 PolarHBondContact O-N 3.25Å; E291-R295 IonicContact OE1-CZ 3.79Å; E291-R295 IonicContact OE1-NE 3.66Å; E291-R295 PolarHBondContact OE1-NE 3.28Å; E291-R295 IonicContact OE1-NH2 2.8Å; E291-R295 PolarHBondContact OE1-NH2 2.68Å; L292-R295 PolarHBondContact O-N 3.41Å; R295-L298 PolarHBondContact O-N 3.05Å; R295-S299 WeakPolarHBondContact O-CB 3.42Å; R295-S299 PolarHBondContact O-N 2.95Å |
| 296 | E | 88.1 | Confident | 86.7 | Confident | 128 Ų | 128 | 107.2 Ų | 107.2 | 60% | 0.598 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -46.8 | 176.9 | -167.3 | 167.3 | -155.1 | 0 | 0 | 110.8 | L292 L298 S299 E300 | L292-E296 WeakPolarHBondContact O-CB 3.4Å; L292-E296 PolarHBondContact O-N 3.33Å; E296-L298 VanDerWaalsContact C-N 3.33Å; E296-L298 PolarHBondContact O-N 3.35Å; E296-S299 WeakPolarHBondContact O-CB 3.44Å; E296-S299 PolarHBondContact O-N 3.42Å; E296-S299 VanDerWaalsContact O-N 3.08Å; E296-E300 PolarHBondContact O-N 2.8Å |
| 297 | K | 89.3 | Confident | 86.5 | Confident | 135 Ų | 135 | 108.6 Ų | 108.6 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61 | -38.3 | 174.6 | -168.7 | 174.7 | -176 | 176.6 | 0 | 113.1 | A293 V294 Q301 | A293-K297 WeakPolarHBondContact O-CB 3.36Å; A293-K297 PolarHBondContact O-N 2.83Å; V294-K297 PolarHBondContact O-N 3.23Å; K297-Q301 WeakPolarHBondContact O-CG 3.35Å; K297-Q301 PolarHBondContact O-N 3.45Å; K297-Q301 VanDerWaalsContact O-N 3.08Å |
| 298 | L | 85 | Confident | 86.3 | Confident | 81 Ų | 81 | 108 Ų | 108 | 42% | 0.424 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 172.9 | -88.3 | 161.1 | 0 | 0 | 0 | 111.6 | V294 R295 E296 Q301 F302 | V294-L298 HydrophobicContact CG1-CD1 4.1Å; V294-L298 WeakPolarHBondContact O-CB 3.44Å; V294-L298 PolarHBondContact O-N 3.1Å; R295-L298 PolarHBondContact O-N 3.05Å; E296-L298 VanDerWaalsContact C-N 3.33Å; E296-L298 PolarHBondContact O-N 3.35Å; L298-Q301 PolarHBondContact O-N 3.37Å; L298-F302 HydrophobicContact CD2-CE2 4.45Å; L298-F302 VanDerWaalsContact O-CD2 3.27Å; L298-F302 WeakPolarHBondContact O-CD2 3.2Å; L298-F302 PolarHBondContact O-N 3.46Å |
| 299 | S | 85.6 | Confident | 86 | Confident | 70 Ų | 70 | 104.3 Ų | 104.3 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.9 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | R295 E296 F302 S303 | R295-S299 WeakPolarHBondContact O-CB 3.42Å; R295-S299 PolarHBondContact O-N 2.95Å; E296-S299 WeakPolarHBondContact O-CB 3.44Å; E296-S299 PolarHBondContact O-N 3.42Å; E296-S299 VanDerWaalsContact O-N 3.08Å; S299-F302 PolarHBondContact O-N 3.43Å; S299-S303 WeakPolarHBondContact O-CB 3.45Å; S299-S303 PolarHBondContact O-N 3.42Å; S299-S303 PolarHBondContact O-OG 3.2Å |
| 300 | E | 86.7 | Confident | 85.7 | Confident | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.603 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -44.8 | 172.8 | -72.1 | 179.6 | 170.4 | 0 | 0 | 111.7 | E296 S303 A304 | E296-E300 PolarHBondContact O-N 2.8Å; E300-S303 PolarHBondContact O-N 3.43Å; E300-A304 PolarHBondContact O-N 2.84Å |
| 301 | Q | 87.3 | Confident | 85.4 | Confident | 103 Ų | 103 | 98.3 Ų | 98.3 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.8 | -74.5 | -178.8 | -4.3 | 0 | 0 | 112.3 | K297 L298 S303 A304 I305 | K297-Q301 WeakPolarHBondContact O-CG 3.35Å; K297-Q301 PolarHBondContact O-N 3.45Å; K297-Q301 VanDerWaalsContact O-N 3.08Å; L298-Q301 PolarHBondContact O-N 3.37Å; Q301-S303 VanDerWaalsContact C-N 3.32Å; Q301-S303 PolarHBondContact O-N 2.85Å; Q301-A304 PolarHBondContact O-N 3.31Å; Q301-I305 WeakPolarHBondContact O-CB 3.37Å; Q301-I305 VanDerWaalsContact O-CG1 3.27Å; Q301-I305 WeakPolarHBondContact O-CG1 3.43Å; Q301-I305 PolarHBondContact O-N 2.9Å |
| 302 | F | 84.6 | Confident | 85.2 | Confident | 139 Ų | 139 | 99.1 Ų | 99.1 | 61% | 0.61 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 174.9 | -90.5 | -69.6 | 0 | 0 | 0 | 112 | L298 S299 I305 K306 | L298-F302 HydrophobicContact CD2-CE2 4.45Å; L298-F302 VanDerWaalsContact O-CD2 3.27Å; L298-F302 WeakPolarHBondContact O-CD2 3.2Å; L298-F302 PolarHBondContact O-N 3.46Å; S299-F302 PolarHBondContact O-N 3.43Å; F302-I305 PolarHBondContact O-N 3.48Å; F302-K306 WeakPolarHBondContact O-CB 3.25Å; F302-K306 PolarHBondContact O-N 3.16Å |
| 303 | S | 84.5 | Confident | 85 | Confident | 64 Ų | 64 | 101.2 Ų | 101.2 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 176.2 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | S299 E300 Q301 K306 Q307 | S299-S303 WeakPolarHBondContact O-CB 3.45Å; S299-S303 PolarHBondContact O-N 3.42Å; S299-S303 PolarHBondContact O-OG 3.2Å; E300-S303 PolarHBondContact O-N 3.43Å; Q301-S303 VanDerWaalsContact C-N 3.32Å; Q301-S303 PolarHBondContact O-N 2.85Å; S303-K306 PolarHBondContact O-N 3.4Å; S303-Q307 PolarHBondContact O-N 3.24Å |
| 304 | A | 85.4 | Confident | 84.8 | Confident | 45 Ų | 45 | 103 Ų | 103 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E300 Q301 Q307 Q308 | E300-A304 PolarHBondContact O-N 2.84Å; Q301-A304 PolarHBondContact O-N 3.31Å; A304-Q307 PolarHBondContact O-N 2.87Å; A304-Q308 WeakPolarHBondContact O-CG 3.36Å; A304-Q308 PolarHBondContact O-N 3.43Å |
| 305 | I | 83.7 | Confident | 84.7 | Confident | 90 Ų | 90 | 105 Ų | 105 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.9 | -69.7 | 166.3 | 0 | 0 | 0 | 110.2 | Q301 F302 Q307 Q308 C309 | Q301-I305 WeakPolarHBondContact O-CB 3.37Å; Q301-I305 VanDerWaalsContact O-CG1 3.27Å; Q301-I305 WeakPolarHBondContact O-CG1 3.43Å; Q301-I305 PolarHBondContact O-N 2.9Å; F302-I305 PolarHBondContact O-N 3.48Å; I305-Q307 PolarHBondContact O-N 3.04Å; I305-Q308 WeakPolarHBondContact O-CB 3.32Å; I305-Q308 PolarHBondContact O-N 3.05Å; I305-Q308 VanDerWaalsContact O-N 3.11Å; I305-C309 PolarHBondContact O-N 3.02Å; I305-C309 PolarHBondContact O-SG 3.21Å; I305-C309 VanDerWaalsContact O-SG 3.4Å |
| 306 | K | 85.8 | Confident | 84.4 | Confident | 152 Ų | 152 | 99.6 Ų | 99.6 | 66% | 0.661 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -44.3 | 177.9 | -169.3 | 176.8 | -179.1 | -176.9 | 0 | 111.5 | F302 S303 Q308 C309 T310 | F302-K306 WeakPolarHBondContact O-CB 3.25Å; F302-K306 PolarHBondContact O-N 3.16Å; S303-K306 PolarHBondContact O-N 3.4Å; K306-Q308 VanDerWaalsContact C-N 3.33Å; K306-Q308 PolarHBondContact O-N 3.45Å; K306-C309 PolarHBondContact O-N 3.49Å; K306-T310 WeakPolarHBondContact O-CG2 3.36Å; K306-T310 PolarHBondContact O-N 3.45Å; K306-T310 PolarHBondContact O-OG1 2.91Å |
| 307 | Q | 84 | Confident | 84.1 | Confident | 136 Ų | 136 | 99.8 Ų | 99.8 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -35.5 | 173.8 | -76.1 | -178 | -10.4 | 0 | 0 | 113.1 | S303 A304 I305 T310 T311 | S303-Q307 PolarHBondContact O-N 3.24Å; A304-Q307 PolarHBondContact O-N 2.87Å; I305-Q307 PolarHBondContact O-N 3.04Å; Q307-T310 WeakPolarHBondContact CA-OG1 3.28Å; Q307-T310 PolarHBondContact O-OG1 3.34Å; Q307-T311 WeakPolarHBondContact O-CB 3.38Å; Q307-T311 PolarHBondContact O-N 3.11Å; Q307-T311 PolarHBondContact O-OG1 2.98Å |
| 308 | Q | 84.1 | Confident | 83.8 | Confident | 129 Ų | 129 | 99.7 Ų | 99.7 | 60% | 0.603 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.4 | -40 | 174.4 | -74.4 | 179 | 0.1 | 0 | 0 | 111.9 | A304 I305 K306 T311 L312 | A304-Q308 WeakPolarHBondContact O-CG 3.36Å; A304-Q308 PolarHBondContact O-N 3.43Å; I305-Q308 WeakPolarHBondContact O-CB 3.32Å; I305-Q308 PolarHBondContact O-N 3.05Å; I305-Q308 VanDerWaalsContact O-N 3.11Å; K306-Q308 VanDerWaalsContact C-N 3.33Å; K306-Q308 PolarHBondContact O-N 3.45Å; Q308-T311 PolarHBondContact O-N 3.38Å; Q308-L312 WeakPolarHBondContact O-CB 3.36Å; Q308-L312 WeakPolarHBondContact O-CG 3.42Å; Q308-L312 PolarHBondContact O-N 2.95Å |
| 309 | C | 81.2 | Confident | 83.7 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 42% | 0.419 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -50.1 | 174.4 | -72.1 | 0 | 0 | 0 | 0 | 111.4 | I305 K306 T311 L312 E313 | I305-C309 PolarHBondContact O-N 3.02Å; I305-C309 PolarHBondContact O-SG 3.21Å; I305-C309 VanDerWaalsContact O-SG 3.4Å; K306-C309 PolarHBondContact O-N 3.49Å; C309-T311 VanDerWaalsContact C-N 3.28Å; C309-T311 PolarHBondContact O-N 3Å; C309-L312 WeakPolarHBondContact O-CB 3.48Å; C309-L312 PolarHBondContact O-N 3.02Å; C309-E313 WeakPolarHBondContact O-CG 3.36Å; C309-E313 PolarHBondContact O-N 3.43Å |
| 310 | T | 82.6 | Confident | 83.5 | Confident | 53 Ų | 53 | 104.3 Ų | 104.3 | 33% | 0.325 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 177.5 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | K306 Q307 L312 E313 L314 | K306-T310 WeakPolarHBondContact O-CG2 3.36Å; K306-T310 PolarHBondContact O-N 3.45Å; K306-T310 PolarHBondContact O-OG1 2.91Å; Q307-T310 WeakPolarHBondContact CA-OG1 3.28Å; Q307-T310 PolarHBondContact O-OG1 3.34Å; T310-L312 VanDerWaalsContact C-N 3.33Å; T310-L312 PolarHBondContact O-N 2.97Å; T310-E313 PolarHBondContact O-N 3.42Å; T310-L314 WeakPolarHBondContact O-CB 3.3Å; T310-L314 PolarHBondContact O-N 3.31Å |
| 311 | T | 83.1 | Confident | 83.2 | Confident | 71 Ų | 71 | 104 Ų | 104 | 44% | 0.436 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 174.4 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | Q307 Q308 C309 K315 | Q307-T311 WeakPolarHBondContact O-CB 3.38Å; Q307-T311 PolarHBondContact O-N 3.11Å; Q307-T311 PolarHBondContact O-OG1 2.98Å; Q308-T311 PolarHBondContact O-N 3.38Å; C309-T311 VanDerWaalsContact C-N 3.28Å; C309-T311 PolarHBondContact O-N 3Å; T311-K315 HydrophobicContact CG2-CD 4.48Å; T311-K315 WeakPolarHBondContact O-CB 3.33Å; T311-K315 VanDerWaalsContact O-CG 3.29Å; T311-K315 WeakPolarHBondContact O-CG 3.32Å; T311-K315 PolarHBondContact O-N 3.19Å; T311-K315 VanDerWaalsContact O-N 3.12Å |
| 312 | L | 81 | Confident | 82.8 | Confident | 114 Ų | 114 | 101.1 Ų | 101.1 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.9 | -39.4 | 176.2 | -78.3 | 169.4 | 0 | 0 | 0 | 111.8 | Q308 C309 T310 K315 A316 | Q308-L312 WeakPolarHBondContact O-CB 3.36Å; Q308-L312 WeakPolarHBondContact O-CG 3.42Å; Q308-L312 PolarHBondContact O-N 2.95Å; C309-L312 WeakPolarHBondContact O-CB 3.48Å; C309-L312 PolarHBondContact O-N 3.02Å; T310-L312 VanDerWaalsContact C-N 3.33Å; T310-L312 PolarHBondContact O-N 2.97Å; L312-K315 PolarHBondContact O-N 2.93Å; L312-A316 WeakPolarHBondContact O-CB 3.5Å; L312-A316 PolarHBondContact O-N 3.12Å |
| 313 | E | 81.9 | Confident | 82.4 | Confident | 124 Ų | 124 | 98.7 Ų | 98.7 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.9 | -49.7 | 173.8 | -74.3 | 167.9 | 169 | 0 | 0 | 110.7 | C309 T310 K315 A316 E317 | C309-E313 WeakPolarHBondContact O-CG 3.36Å; C309-E313 PolarHBondContact O-N 3.43Å; T310-E313 PolarHBondContact O-N 3.42Å; E313-K315 VanDerWaalsContact C-N 3.26Å; E313-K315 PolarHBondContact O-N 3.31Å; E313-A316 WeakPolarHBondContact O-CA 3.37Å; E313-A316 WeakPolarHBondContact O-CB 3.37Å; E313-A316 PolarHBondContact O-N 3.01Å; E313-E317 PolarHBondContact O-N 3.29Å |
| 314 | L | 83.9 | Confident | 82.3 | Confident | 92 Ų | 92 | 101 Ų | 101 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -32.9 | 176.8 | -126.5 | 151.5 | 0 | 0 | 0 | 112.7 | T310 K318 | T310-L314 WeakPolarHBondContact O-CB 3.3Å; T310-L314 PolarHBondContact O-N 3.31Å; L314-K318 WeakPolarHBondContact O-CG 3.45Å; L314-K318 PolarHBondContact O-N 3.37Å |
| 315 | K | 84.5 | Confident | 82 | Confident | 128 Ų | 128 | 103 Ų | 103 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72 | -38 | 172.6 | -79.2 | 176 | -178.5 | 177.4 | 0 | 111.9 | T311 L312 E313 L319 | T311-K315 HydrophobicContact CG2-CD 4.48Å; T311-K315 WeakPolarHBondContact O-CB 3.33Å; T311-K315 VanDerWaalsContact O-CG 3.29Å; T311-K315 WeakPolarHBondContact O-CG 3.32Å; T311-K315 PolarHBondContact O-N 3.19Å; T311-K315 VanDerWaalsContact O-N 3.12Å; L312-K315 PolarHBondContact O-N 2.93Å; E313-K315 VanDerWaalsContact C-N 3.26Å; E313-K315 PolarHBondContact O-N 3.31Å; K315-L319 WeakPolarHBondContact O-CB 3.46Å; K315-L319 PolarHBondContact O-N 3.22Å; K315-L319 VanDerWaalsContact O-N 3.1Å |
| 316 | A | 80.7 | Confident | 81.5 | Confident | 46 Ų | 46 | 103.6 Ų | 103.6 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L312 E313 L319 M320 | L312-A316 WeakPolarHBondContact O-CB 3.5Å; L312-A316 PolarHBondContact O-N 3.12Å; E313-A316 WeakPolarHBondContact O-CA 3.37Å; E313-A316 WeakPolarHBondContact O-CB 3.37Å; E313-A316 PolarHBondContact O-N 3.01Å; A316-L319 CarbonylContact O-C 3.59Å; A316-L319 WeakPolarHBondContact O-CA 3.29Å; A316-L319 WeakPolarHBondContact O-CB 3.41Å; A316-L319 PolarHBondContact O-N 3.13Å; A316-L319 VanDerWaalsContact O-N 3.12Å; A316-M320 WeakPolarHBondContact O-CG 3.49Å; A316-M320 PolarHBondContact O-N 3.47Å |
| 317 | E | 81.5 | Confident | 81 | Confident | 132 Ų | 132 | 101.9 Ų | 101.9 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.6 | -48.6 | 173.6 | -82.4 | -179.5 | 159.8 | 0 | 0 | 111.9 | E313 L319 M320 E321 | E313-E317 PolarHBondContact O-N 3.29Å; E317-L319 PolarHBondContact O-N 2.87Å; E317-M320 PolarHBondContact O-N 2.87Å; E317-M320 VanDerWaalsContact O-N 3.08Å; E317-E321 PolarHBondContact O-N 3.33Å |
| 318 | K | 83.6 | Confident | 80.7 | Confident | 134 Ų | 134 | 98.4 Ų | 98.4 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.9 | -33.1 | 174.4 | -74.8 | 178.2 | -179.4 | -179.9 | 0 | 112.7 | L314 A322 | L314-K318 WeakPolarHBondContact O-CG 3.45Å; L314-K318 PolarHBondContact O-N 3.37Å; K318-A322 VanDerWaalsContact O-CB 3.27Å; K318-A322 WeakPolarHBondContact O-CB 3.32Å; K318-A322 PolarHBondContact O-N 3.44Å |
| 319 | L | 81.7 | Confident | 80.4 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.1 | -39.4 | 177 | -131.4 | 156.5 | 0 | 0 | 0 | 111.6 | K315 A316 E317 A322 N323 | K315-L319 WeakPolarHBondContact O-CB 3.46Å; K315-L319 PolarHBondContact O-N 3.22Å; K315-L319 VanDerWaalsContact O-N 3.1Å; A316-L319 CarbonylContact O-C 3.59Å; A316-L319 WeakPolarHBondContact O-CA 3.29Å; A316-L319 WeakPolarHBondContact O-CB 3.41Å; A316-L319 PolarHBondContact O-N 3.13Å; A316-L319 VanDerWaalsContact O-N 3.12Å; E317-L319 PolarHBondContact O-N 2.87Å; L319-A322 PolarHBondContact O-N 3.46Å; L319-N323 WeakPolarHBondContact O-CB 3.44Å; L319-N323 PolarHBondContact O-N 2.94Å |
| 320 | M | 81.2 | Confident | 80.1 | Confident | 133 Ų | 133 | 102.6 Ų | 102.6 | 66% | 0.655 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 173.1 | -72.9 | -170.3 | -174.4 | 0 | 0 | 111.4 | A316 E317 N323 L324 | A316-M320 WeakPolarHBondContact O-CG 3.49Å; A316-M320 PolarHBondContact O-N 3.47Å; E317-M320 PolarHBondContact O-N 2.87Å; E317-M320 VanDerWaalsContact O-N 3.08Å; M320-N323 PolarHBondContact O-N 2.87Å; M320-L324 WeakPolarHBondContact O-CG 3.29Å; M320-L324 PolarHBondContact O-N 2.85Å |
| 321 | E | 82.1 | Confident | 79.6 | Confident | 124 Ų | 124 | 103.4 Ų | 103.4 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 176.4 | -166.8 | -179.5 | -171.9 | 0 | 0 | 111.3 | E317 N323 L324 I325 | E317-E321 PolarHBondContact O-N 3.33Å; E321-N323 VanDerWaalsContact C-N 3.35Å; E321-N323 PolarHBondContact O-N 2.89Å; E321-L324 PolarHBondContact O-N 3.49Å; E321-I325 HydrophobicContact CG-CD1 4.45Å; E321-I325 WeakPolarHBondContact O-CG1 3.31Å; E321-I325 PolarHBondContact O-N 3.23Å |
| 322 | A | 78.1 | Confident | 79.2 | Confident | 42 Ų | 42 | 105.7 Ų | 105.7 | 35% | 0.347 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K318 L319 I325 I326 | K318-A322 VanDerWaalsContact O-CB 3.27Å; K318-A322 WeakPolarHBondContact O-CB 3.32Å; K318-A322 PolarHBondContact O-N 3.44Å; L319-A322 PolarHBondContact O-N 3.46Å; A322-I325 PolarHBondContact O-N 3.46Å; A322-I326 VanDerWaalsContact O-CG1 3.24Å; A322-I326 WeakPolarHBondContact O-CG1 3.45Å; A322-I326 PolarHBondContact O-N 3.44Å |
| 323 | N | 77 | Confident | 78.6 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 47% | 0.465 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 175.6 | -98.9 | 4.1 | 0 | 0 | 0 | 112.1 | L319 M320 E321 I325 I326 E327 | L319-N323 WeakPolarHBondContact O-CB 3.44Å; L319-N323 PolarHBondContact O-N 2.94Å; M320-N323 PolarHBondContact O-N 2.87Å; E321-N323 VanDerWaalsContact C-N 3.35Å; E321-N323 PolarHBondContact O-N 2.89Å; N323-I325 VanDerWaalsContact C-N 3.31Å; N323-I325 PolarHBondContact O-N 3.27Å; N323-I326 PolarHBondContact O-N 3.26Å; N323-I326 VanDerWaalsContact O-N 3.13Å; N323-E327 PolarHBondContact O-N 2.87Å |
| 324 | L | 81.5 | Confident | 78.3 | Confident | 113 Ų | 113 | 102.6 Ų | 102.6 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 175.4 | -75.4 | 169.1 | 0 | 0 | 0 | 111.8 | M320 E321 E327 S328 | M320-L324 WeakPolarHBondContact O-CG 3.29Å; M320-L324 PolarHBondContact O-N 2.85Å; E321-L324 PolarHBondContact O-N 3.49Å; L324-E327 PolarHBondContact O-N 2.83Å; L324-S328 VanDerWaalsContact O-CB 3.29Å; L324-S328 WeakPolarHBondContact O-CB 3.44Å; L324-S328 PolarHBondContact O-N 3.35Å |
| 325 | I | 79.4 | Confident | 77.8 | Confident | 86 Ų | 86 | 103.5 Ų | 103.5 | 44% | 0.441 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 174.4 | -66.4 | 166.5 | 0 | 0 | 0 | 110.9 | E321 A322 N323 K329 | E321-I325 HydrophobicContact CG-CD1 4.45Å; E321-I325 WeakPolarHBondContact O-CG1 3.31Å; E321-I325 PolarHBondContact O-N 3.23Å; A322-I325 PolarHBondContact O-N 3.46Å; N323-I325 VanDerWaalsContact C-N 3.31Å; N323-I325 PolarHBondContact O-N 3.27Å; I325-K329 HydrophobicContact CG2-CD 4.46Å; I325-K329 WeakPolarHBondContact O-CB 3.24Å; I325-K329 WeakPolarHBondContact O-CG 3.43Å; I325-K329 PolarHBondContact O-N 2.91Å |
| 326 | I | 73.6 | Confident | 77.3 | Confident | 103 Ų | 103 | 101.5 Ų | 101.5 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 177.3 | -70.2 | 165 | 0 | 0 | 0 | 110.8 | A322 N323 K329 F330 | A322-I326 VanDerWaalsContact O-CG1 3.24Å; A322-I326 WeakPolarHBondContact O-CG1 3.45Å; A322-I326 PolarHBondContact O-N 3.44Å; N323-I326 PolarHBondContact O-N 3.26Å; N323-I326 VanDerWaalsContact O-N 3.13Å; I326-K329 PolarHBondContact O-N 2.82Å; I326-F330 WeakPolarHBondContact O-CB 3.04Å; I326-F330 PolarHBondContact O-N 3.45Å |
| 327 | E | 74.6 | Confident | 76.9 | Confident | 117 Ų | 117 | 103.6 Ų | 103.6 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 176.8 | -77.4 | -176.3 | 169.4 | 0 | 0 | 111.8 | N323 L324 K329 F330 C331 | N323-E327 PolarHBondContact O-N 2.87Å; L324-E327 PolarHBondContact O-N 2.83Å; E327-K329 PolarHBondContact O-N 3.18Å; E327-F330 PolarHBondContact O-N 2.93Å; E327-C331 PolarHBondContact O-N 3.32Å; E327-C331 PolarHBondContact O-SG 3.45Å |
| 328 | S | 76.7 | Confident | 76.8 | Confident | 62 Ų | 62 | 101.6 Ų | 101.6 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | L324 F330 C331 Q332 | L324-S328 VanDerWaalsContact O-CB 3.29Å; L324-S328 WeakPolarHBondContact O-CB 3.44Å; L324-S328 PolarHBondContact O-N 3.35Å; S328-F330 VanDerWaalsContact C-N 3.33Å; S328-F330 PolarHBondContact O-N 3.36Å; S328-C331 PolarHBondContact O-N 2.88Å; S328-Q332 WeakPolarHBondContact O-CG 3.32Å; S328-Q332 PolarHBondContact O-N 3.29Å |
| 329 | K | 78.8 | Confident | 76.3 | Confident | 140 Ų | 140 | 98.1 Ų | 98.1 | 61% | 0.609 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -35.3 | 174.7 | -76.2 | -176.2 | 179 | -179.6 | 0 | 112.7 | I325 I326 E327 S333 | I325-K329 HydrophobicContact CG2-CD 4.46Å; I325-K329 WeakPolarHBondContact O-CB 3.24Å; I325-K329 WeakPolarHBondContact O-CG 3.43Å; I325-K329 PolarHBondContact O-N 2.91Å; I326-K329 PolarHBondContact O-N 2.82Å; E327-K329 PolarHBondContact O-N 3.18Å; K329-S333 WeakPolarHBondContact O-CB 3.49Å; K329-S333 PolarHBondContact O-N 2.94Å |
| 330 | F | 74.1 | Confident | 75.9 | Confident | 140 Ų | 140 | 96.4 Ų | 96.4 | 61% | 0.614 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.2 | -45.3 | 176.1 | -169.6 | -93.4 | 0 | 0 | 0 | 111.1 | I326 E327 S328 Q332 S333 E334 | I326-F330 WeakPolarHBondContact O-CB 3.04Å; I326-F330 PolarHBondContact O-N 3.45Å; E327-F330 PolarHBondContact O-N 2.93Å; S328-F330 VanDerWaalsContact C-N 3.33Å; S328-F330 PolarHBondContact O-N 3.36Å; F330-Q332 PolarHBondContact O-N 2.95Å; F330-S333 CarbonylContact O-C 3.5Å; F330-S333 WeakPolarHBondContact O-CB 3.37Å; F330-S333 PolarHBondContact O-N 3.3Å; F330-S333 VanDerWaalsContact O-N 3.16Å; F330-E334 WeakPolarHBondContact O-CB 3.32Å; F330-E334 PolarHBondContact O-N 3.08Å |
| 331 | C | 73.2 | Confident | 75.7 | Confident | 69 Ų | 69 | 95 Ų | 95 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 174.3 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | E327 S328 E334 I335 | E327-C331 PolarHBondContact O-N 3.32Å; E327-C331 PolarHBondContact O-SG 3.45Å; S328-C331 PolarHBondContact O-N 2.88Å; C331-E334 PolarHBondContact O-N 3.37Å; C331-I335 VanDerWaalsContact O-CG1 3.31Å; C331-I335 WeakPolarHBondContact O-CG1 3.5Å; C331-I335 PolarHBondContact O-N 3.23Å |
| 332 | Q | 73.6 | Confident | 75.4 | Confident | 119 Ų | 119 | 92.6 Ų | 92.6 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 173.6 | -73.1 | 177.6 | 4.1 | 0 | 0 | 112 | S328 F330 E334 I335 V336 | S328-Q332 WeakPolarHBondContact O-CG 3.32Å; S328-Q332 PolarHBondContact O-N 3.29Å; F330-Q332 PolarHBondContact O-N 2.95Å; Q332-E334 VanDerWaalsContact C-N 3.31Å; Q332-E334 PolarHBondContact O-N 3.44Å; Q332-I335 PolarHBondContact O-N 3.07Å; Q332-V336 WeakPolarHBondContact O-CG2 3.3Å; Q332-V336 PolarHBondContact O-N 3.24Å |
| 333 | S | 69.5 | Low | 75.3 | Confident | 73 Ų | 73 | 95 Ų | 95 | 51% | 0.51 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 174.8 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | K329 F330 V336 N337 | K329-S333 WeakPolarHBondContact O-CB 3.49Å; K329-S333 PolarHBondContact O-N 2.94Å; F330-S333 CarbonylContact O-C 3.5Å; F330-S333 WeakPolarHBondContact O-CB 3.37Å; F330-S333 PolarHBondContact O-N 3.3Å; F330-S333 VanDerWaalsContact O-N 3.16Å; S333-V336 PolarHBondContact O-N 3.47Å; S333-N337 VanDerWaalsContact O-CB 3.3Å; S333-N337 WeakPolarHBondContact O-CB 3.48Å; S333-N337 PolarHBondContact O-N 3.01Å |
| 334 | E | 74.3 | Confident | 75.2 | Confident | 100 Ų | 100 | 97.4 Ų | 97.4 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 177.7 | -170.1 | 169.8 | -168 | 0 | 0 | 111.8 | F330 C331 Q332 V336 N337 N338 | F330-E334 WeakPolarHBondContact O-CB 3.32Å; F330-E334 PolarHBondContact O-N 3.08Å; C331-E334 PolarHBondContact O-N 3.37Å; Q332-E334 VanDerWaalsContact C-N 3.31Å; Q332-E334 PolarHBondContact O-N 3.44Å; E334-V336 PolarHBondContact O-N 2.95Å; E334-N337 PolarHBondContact O-N 3.34Å; E334-N338 WeakPolarHBondContact O-CB 3.39Å; E334-N338 VanDerWaalsContact O-CG 3.28Å; E334-N338 PolarHBondContact O-N 3.01Å; E334-N338 PolarHBondContact O-ND2 3.34Å |
| 335 | I | 74.8 | Confident | 75.1 | Confident | 111 Ų | 111 | 98.6 Ų | 98.6 | 57% | 0.569 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -44.7 | 173 | -66.8 | 165 | 0 | 0 | 0 | 111 | C331 Q332 N338 S339 | C331-I335 VanDerWaalsContact O-CG1 3.31Å; C331-I335 WeakPolarHBondContact O-CG1 3.5Å; C331-I335 PolarHBondContact O-N 3.23Å; Q332-I335 PolarHBondContact O-N 3.07Å; I335-N338 PolarHBondContact O-N 3.34Å; I335-S339 WeakPolarHBondContact O-CB 3.38Å; I335-S339 PolarHBondContact O-N 3.4Å; I335-S339 PolarHBondContact O-OG 2.78Å |
| 336 | V | 73.6 | Confident | 75 | Confident | 87 Ų | 87 | 98 Ų | 98 | 53% | 0.527 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 177 | 172.8 | 0 | 0 | 0 | 0 | 111 | Q332 S333 E334 S339 L340 | Q332-V336 WeakPolarHBondContact O-CG2 3.3Å; Q332-V336 PolarHBondContact O-N 3.24Å; S333-V336 PolarHBondContact O-N 3.47Å; E334-V336 PolarHBondContact O-N 2.95Å; V336-S339 WeakPolarHBondContact O-CB 3.4Å; V336-S339 PolarHBondContact O-N 3.46Å; V336-L340 HydrophobicContact CG1-CD1 4.1Å; V336-L340 PolarHBondContact O-N 2.89Å |
| 337 | N | 72.2 | Confident | 75 | Confident | 89 Ų | 89 | 97 Ų | 97 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 179.1 | -165.8 | 34.5 | 0 | 0 | 0 | 111.8 | S333 E334 S339 L340 L341 | S333-N337 VanDerWaalsContact O-CB 3.3Å; S333-N337 WeakPolarHBondContact O-CB 3.48Å; S333-N337 PolarHBondContact O-N 3.01Å; E334-N337 PolarHBondContact O-N 3.34Å; N337-S339 VanDerWaalsContact C-N 3.33Å; N337-S339 PolarHBondContact O-N 3.24Å; N337-L340 PolarHBondContact O-N 2.77Å; N337-L341 WeakPolarHBondContact O-CB 3.32Å; N337-L341 PolarHBondContact O-N 2.82Å |
| 338 | N | 78.7 | Confident | 75.1 | Confident | 91 Ų | 91 | 97.6 Ų | 97.6 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 174.7 | -74.2 | -26.6 | 0 | 0 | 0 | 111.9 | E334 I335 L341 S342 | E334-N338 WeakPolarHBondContact O-CB 3.39Å; E334-N338 VanDerWaalsContact O-CG 3.28Å; E334-N338 PolarHBondContact O-N 3.01Å; E334-N338 PolarHBondContact O-ND2 3.34Å; I335-N338 PolarHBondContact O-N 3.34Å; N338-L341 PolarHBondContact O-N 3.34Å; N338-S342 PolarHBondContact O-N 2.83Å |
| 339 | S | 74 | Confident | 75.5 | Confident | 61 Ų | 61 | 98.6 Ų | 98.6 | 43% | 0.427 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 174.1 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | I335 V336 N337 S342 I343 | I335-S339 WeakPolarHBondContact O-CB 3.38Å; I335-S339 PolarHBondContact O-N 3.4Å; I335-S339 PolarHBondContact O-OG 2.78Å; V336-S339 WeakPolarHBondContact O-CB 3.4Å; V336-S339 PolarHBondContact O-N 3.46Å; N337-S339 VanDerWaalsContact C-N 3.33Å; N337-S339 PolarHBondContact O-N 3.24Å; S339-S342 WeakPolarHBondContact O-CB 3.47Å; S339-S342 PolarHBondContact O-N 2.94Å; S339-I343 WeakPolarHBondContact O-CG1 3.29Å; S339-I343 PolarHBondContact O-N 2.89Å |
| 340 | L | 72.6 | Confident | 75.5 | Confident | 77 Ų | 77 | 96 Ų | 96 | 40% | 0.403 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 174.2 | -81.3 | 165.7 | 0 | 0 | 0 | 111.9 | V336 N337 S342 I343 F344 | V336-L340 HydrophobicContact CG1-CD1 4.1Å; V336-L340 PolarHBondContact O-N 2.89Å; N337-L340 PolarHBondContact O-N 2.77Å; L340-S342 VanDerWaalsContact C-N 3.3Å; L340-S342 PolarHBondContact O-N 3.43Å; L340-I343 PolarHBondContact O-N 3.36Å; L340-F344 HydrophobicContact CB-CD2 4.42Å; L340-F344 HydrophobicContact CB-CE2 4.43Å; L340-F344 HydrophobicContact CD2-CE2 4.37Å; L340-F344 WeakPolarHBondContact O-CB 3.42Å; L340-F344 WeakPolarHBondContact O-CD2 3.29Å; L340-F344 PolarHBondContact O-N 3.03Å |
| 341 | L | 76.8 | Confident | 75.5 | Confident | 104 Ų | 104 | 94.8 Ų | 94.8 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 175.8 | -110.3 | 133.3 | 0 | 0 | 0 | 111.8 | N337 N338 F344 K345 | N337-L341 WeakPolarHBondContact O-CB 3.32Å; N337-L341 PolarHBondContact O-N 2.82Å; N338-L341 PolarHBondContact O-N 3.34Å; L341-F344 PolarHBondContact O-N 3.36Å; L341-K345 WeakPolarHBondContact O-CB 3.43Å; L341-K345 PolarHBondContact O-N 2.95Å |
| 342 | S | 75.9 | Confident | 75.8 | Confident | 73 Ų | 73 | 95.2 Ų | 95.2 | 51% | 0.51 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 174.7 | -172 | 0 | 0 | 0 | 0 | 112.3 | N338 S339 L340 K345 T346 | N338-S342 PolarHBondContact O-N 2.83Å; S339-S342 WeakPolarHBondContact O-CB 3.47Å; S339-S342 PolarHBondContact O-N 2.94Å; L340-S342 VanDerWaalsContact C-N 3.3Å; L340-S342 PolarHBondContact O-N 3.43Å; S342-K345 PolarHBondContact O-N 3.47Å; S342-T346 PolarHBondContact O-N 2.9Å; S342-T346 PolarHBondContact O-OG1 3.15Å |
| 343 | I | 76.8 | Confident | 76.2 | Confident | 94 Ų | 94 | 94 Ų | 94 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 174.6 | -67.7 | 164.7 | 0 | 0 | 0 | 110.6 | S339 L340 K345 T346 I347 | S339-I343 WeakPolarHBondContact O-CG1 3.29Å; S339-I343 PolarHBondContact O-N 2.89Å; L340-I343 PolarHBondContact O-N 3.36Å; I343-K345 VanDerWaalsContact C-N 3.3Å; I343-K345 PolarHBondContact O-N 3.37Å; I343-T346 WeakPolarHBondContact O-CB 3.48Å; I343-T346 PolarHBondContact O-N 3.18Å; I343-I347 HydrophobicContact CG2-CD1 3.74Å; I343-I347 HydrophobicContact CG2-CG1 4.35Å; I343-I347 WeakPolarHBondContact O-CG1 3.46Å; I343-I347 PolarHBondContact O-N 3.18Å |
| 344 | F | 73.6 | Confident | 76.6 | Confident | 137 Ų | 137 | 96.1 Ų | 96.1 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62 | -38.1 | 177 | -82.1 | -62.5 | 0 | 0 | 0 | 112.3 | L340 L341 I347 K348 | L340-F344 HydrophobicContact CB-CD2 4.42Å; L340-F344 HydrophobicContact CB-CE2 4.43Å; L340-F344 HydrophobicContact CD2-CE2 4.37Å; L340-F344 WeakPolarHBondContact O-CB 3.42Å; L340-F344 WeakPolarHBondContact O-CD2 3.29Å; L340-F344 PolarHBondContact O-N 3.03Å; L341-F344 PolarHBondContact O-N 3.36Å; F344-I347 PolarHBondContact O-N 3.41Å; F344-K348 VanDerWaalsContact O-CB 3.27Å; F344-K348 WeakPolarHBondContact O-CB 3.38Å; F344-K348 PolarHBondContact O-N 3.09Å |
| 345 | K | 79.3 | Confident | 76.2 | Confident | 138 Ų | 138 | 94.9 Ų | 94.9 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -46.2 | 174.6 | -166.6 | 174.9 | -179.7 | -177.1 | 0 | 110.9 | L341 S342 I343 I347 K348 D349 | L341-K345 WeakPolarHBondContact O-CB 3.43Å; L341-K345 PolarHBondContact O-N 2.95Å; S342-K345 PolarHBondContact O-N 3.47Å; I343-K345 VanDerWaalsContact C-N 3.3Å; I343-K345 PolarHBondContact O-N 3.37Å; K345-I347 PolarHBondContact O-N 2.94Å; K345-K348 PolarHBondContact O-N 3.01Å; K345-D349 WeakPolarHBondContact O-CB 3.46Å; K345-D349 PolarHBondContact O-N 3.38Å |
| 346 | T | 77.7 | Confident | 76.6 | Confident | 72 Ų | 72 | 93.4 Ų | 93.4 | 44% | 0.442 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 174.6 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | S342 I343 D349 N350 | S342-T346 PolarHBondContact O-N 2.9Å; S342-T346 PolarHBondContact O-OG1 3.15Å; I343-T346 WeakPolarHBondContact O-CB 3.48Å; I343-T346 PolarHBondContact O-N 3.18Å; T346-D349 PolarHBondContact O-N 3.1Å; T346-N350 WeakPolarHBondContact O-CB 3.36Å; T346-N350 PolarHBondContact O-N 2.88Å; T346-N350 PolarHBondContact O-ND2 3.02Å |
| 347 | I | 74.1 | Confident | 76.9 | Confident | 83 Ų | 83 | 93.8 Ų | 93.8 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 176.7 | -69.1 | 168.9 | 0 | 0 | 0 | 111 | I343 F344 K345 N350 L351 | I343-I347 HydrophobicContact CG2-CD1 3.74Å; I343-I347 HydrophobicContact CG2-CG1 4.35Å; I343-I347 WeakPolarHBondContact O-CG1 3.46Å; I343-I347 PolarHBondContact O-N 3.18Å; F344-I347 PolarHBondContact O-N 3.41Å; K345-I347 PolarHBondContact O-N 2.94Å; I347-N350 PolarHBondContact O-N 3.49Å; I347-L351 HydrophobicContact CG2-CD1 3.95Å; I347-L351 WeakPolarHBondContact O-CB 3.41Å; I347-L351 WeakPolarHBondContact O-CG 3.47Å; I347-L351 PolarHBondContact O-N 2.93Å |
| 348 | K | 77.2 | Confident | 76.7 | Confident | 130 Ų | 130 | 93.6 Ų | 93.6 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -46.5 | 177.2 | 179.8 | -175.8 | 174.5 | -176.4 | 0 | 111.1 | F344 K345 L351 I352 | F344-K348 VanDerWaalsContact O-CB 3.27Å; F344-K348 WeakPolarHBondContact O-CB 3.38Å; F344-K348 PolarHBondContact O-N 3.09Å; K345-K348 PolarHBondContact O-N 3.01Å; K348-L351 PolarHBondContact O-N 3.25Å; K348-I352 HydrophobicContact CG-CD1 3.95Å; K348-I352 VanDerWaalsContact O-CG1 3.3Å; K348-I352 WeakPolarHBondContact O-CG1 3.45Å; K348-I352 PolarHBondContact O-N 3.28Å |
| 349 | D | 84.2 | Confident | 76.5 | Confident | 82 Ų | 82 | 93.1 Ų | 93.1 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | -179.7 | -66.1 | -17.8 | 0 | 0 | 0 | 110.5 | K345 T346 L351 I352 E353 | K345-D349 WeakPolarHBondContact O-CB 3.46Å; K345-D349 PolarHBondContact O-N 3.38Å; T346-D349 PolarHBondContact O-N 3.1Å; D349-L351 PolarHBondContact O-N 3.12Å; D349-I352 PolarHBondContact O-N 3.49Å; D349-E353 WeakPolarHBondContact O-CB 3.04Å; D349-E353 PolarHBondContact O-N 2.89Å |
| 350 | N | 78.9 | Confident | 76.6 | Confident | 86 Ų | 86 | 94.6 Ų | 94.6 | 46% | 0.46 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 171.7 | -80 | -22.9 | 0 | 0 | 0 | 112.9 | T346 I347 E353 Q354 | T346-N350 WeakPolarHBondContact O-CB 3.36Å; T346-N350 PolarHBondContact O-N 2.88Å; T346-N350 PolarHBondContact O-ND2 3.02Å; I347-N350 PolarHBondContact O-N 3.49Å; N350-E353 PolarHBondContact O-N 3.44Å; N350-Q354 WeakPolarHBondContact O-CB 3.46Å; N350-Q354 VanDerWaalsContact O-CG 3.28Å; N350-Q354 WeakPolarHBondContact O-CG 3.44Å; N350-Q354 PolarHBondContact O-N 2.94Å |
| 351 | L | 75.3 | Confident | 76.8 | Confident | 115 Ų | 115 | 98 Ų | 98 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.4 | -39.8 | 176.3 | -84.6 | 165.3 | 0 | 0 | 0 | 111.8 | I347 K348 D349 Q354 S355 | I347-L351 HydrophobicContact CG2-CD1 3.95Å; I347-L351 WeakPolarHBondContact O-CB 3.41Å; I347-L351 WeakPolarHBondContact O-CG 3.47Å; I347-L351 PolarHBondContact O-N 2.93Å; K348-L351 PolarHBondContact O-N 3.25Å; D349-L351 PolarHBondContact O-N 3.12Å; L351-Q354 PolarHBondContact O-N 2.79Å; L351-S355 VanDerWaalsContact O-CB 3.23Å; L351-S355 WeakPolarHBondContact O-CB 3.49Å; L351-S355 PolarHBondContact O-N 3.2Å |
| 352 | I | 79.6 | Confident | 76.3 | Confident | 77 Ų | 77 | 99.1 Ų | 99.1 | 40% | 0.395 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 174.2 | -69.3 | 167 | 0 | 0 | 0 | 110 | K348 D349 S355 N356 | K348-I352 HydrophobicContact CG-CD1 3.95Å; K348-I352 VanDerWaalsContact O-CG1 3.3Å; K348-I352 WeakPolarHBondContact O-CG1 3.45Å; K348-I352 PolarHBondContact O-N 3.28Å; D349-I352 PolarHBondContact O-N 3.49Å; I352-S355 PolarHBondContact O-N 3.38Å; I352-N356 WeakPolarHBondContact O-CB 3.49Å; I352-N356 VanDerWaalsContact O-CG 3.24Å; I352-N356 PolarHBondContact O-N 3.37Å; I352-N356 PolarHBondContact O-ND2 3.44Å |
| 353 | E | 81.7 | Confident | 76.4 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.6 | -167.7 | -170.2 | 157.3 | 0 | 0 | 111.7 | D349 N350 N356 K357 | D349-E353 WeakPolarHBondContact O-CB 3.04Å; D349-E353 PolarHBondContact O-N 2.89Å; N350-E353 PolarHBondContact O-N 3.44Å; E353-N356 PolarHBondContact O-N 2.84Å; E353-K357 WeakPolarHBondContact O-CG 3.48Å; E353-K357 PolarHBondContact O-N 3.4Å; E353-K357 WeakPolarHBondContact OE1-CE 3.22Å; E353-K357 IonicContact OE1-NZ 2.81Å; E353-K357 PolarHBondContact OE1-NZ 2.91Å |
| 354 | Q | 76.5 | Confident | 76.3 | Confident | 118 Ų | 118 | 102.7 Ų | 102.7 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -39.4 | 176.7 | -70.6 | -64.6 | -21.3 | 0 | 0 | 112.2 | N350 L351 K357 C358 | N350-Q354 WeakPolarHBondContact O-CB 3.46Å; N350-Q354 VanDerWaalsContact O-CG 3.28Å; N350-Q354 WeakPolarHBondContact O-CG 3.44Å; N350-Q354 PolarHBondContact O-N 2.94Å; L351-Q354 PolarHBondContact O-N 2.79Å; Q354-K357 PolarHBondContact O-N 3.49Å; Q354-C358 WeakPolarHBondContact O-CB 3.4Å; Q354-C358 PolarHBondContact O-N 2.88Å |
| 355 | S | 67.7 | Low | 75.8 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 174.6 | -179.6 | 0 | 0 | 0 | 0 | 111.2 | L351 I352 C358 L359 | L351-S355 VanDerWaalsContact O-CB 3.23Å; L351-S355 WeakPolarHBondContact O-CB 3.49Å; L351-S355 PolarHBondContact O-N 3.2Å; I352-S355 PolarHBondContact O-N 3.38Å; S355-C358 PolarHBondContact O-N 3.27Å; S355-L359 WeakPolarHBondContact O-CB 3.43Å; S355-L359 PolarHBondContact O-N 2.91Å |
| 356 | N | 82.1 | Confident | 75.3 | Confident | 81 Ų | 81 | 97.2 Ų | 97.2 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 175.7 | -71 | -23.1 | 0 | 0 | 0 | 111.5 | I352 E353 C358 L359 D360 | I352-N356 WeakPolarHBondContact O-CB 3.49Å; I352-N356 VanDerWaalsContact O-CG 3.24Å; I352-N356 PolarHBondContact O-N 3.37Å; I352-N356 PolarHBondContact O-ND2 3.44Å; E353-N356 PolarHBondContact O-N 2.84Å; N356-C358 VanDerWaalsContact C-N 3.28Å; N356-C358 PolarHBondContact O-N 3.35Å; N356-L359 PolarHBondContact O-N 3.22Å; N356-D360 WeakPolarHBondContact O-CB 3.24Å; N356-D360 VanDerWaalsContact O-CG 3.32Å; N356-D360 PolarHBondContact O-N 2.83Å |
| 357 | K | 79.7 | Confident | 75.3 | Confident | 94 Ų | 94 | 101.4 Ų | 101.4 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.5 | -39.3 | 174 | -76 | 176 | -175.9 | 168.4 | 0 | 112.4 | E353 Q354 K361 | E353-K357 WeakPolarHBondContact O-CG 3.48Å; E353-K357 PolarHBondContact O-N 3.4Å; E353-K357 WeakPolarHBondContact OE1-CE 3.22Å; E353-K357 IonicContact OE1-NZ 2.81Å; E353-K357 PolarHBondContact OE1-NZ 2.91Å; Q354-K357 PolarHBondContact O-N 3.49Å; K357-K361 WeakPolarHBondContact O-CG 3.36Å; K357-K361 PolarHBondContact O-N 3.35Å; K357-K361 VanDerWaalsContact O-N 3.08Å |
| 358 | C | 68.6 | Low | 75.3 | Confident | 86 Ų | 86 | 102.8 Ų | 102.8 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.3 | -42 | 177.1 | -160.5 | 0 | 0 | 0 | 0 | 111.3 | Q354 S355 N356 K361 F362 | Q354-C358 WeakPolarHBondContact O-CB 3.4Å; Q354-C358 PolarHBondContact O-N 2.88Å; S355-C358 PolarHBondContact O-N 3.27Å; N356-C358 VanDerWaalsContact C-N 3.28Å; N356-C358 PolarHBondContact O-N 3.35Å; C358-K361 PolarHBondContact O-N 3.22Å; C358-F362 WeakPolarHBondContact O-CB 3.38Å; C358-F362 PolarHBondContact O-N 2.97Å |
| 359 | L | 73.6 | Confident | 74.8 | Confident | 80 Ų | 80 | 100.6 Ų | 100.6 | 42% | 0.419 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.9 | -174.4 | 66.2 | 0 | 0 | 0 | 112.1 | S355 N356 F362 K363 | S355-L359 WeakPolarHBondContact O-CB 3.43Å; S355-L359 PolarHBondContact O-N 2.91Å; N356-L359 PolarHBondContact O-N 3.22Å; L359-F362 PolarHBondContact O-N 2.65Å; L359-K363 WeakPolarHBondContact O-CG 3.44Å; L359-K363 PolarHBondContact O-N 3.48Å |
| 360 | D | 77 | Confident | 74.1 | Confident | 92 Ų | 92 | 99.9 Ų | 99.9 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 176.5 | -70.7 | -23 | 0 | 0 | 0 | 111.1 | N356 F362 K363 E364 | N356-D360 WeakPolarHBondContact O-CB 3.24Å; N356-D360 VanDerWaalsContact O-CG 3.32Å; N356-D360 PolarHBondContact O-N 2.83Å; D360-F362 VanDerWaalsContact C-N 3.29Å; D360-F362 PolarHBondContact O-N 3.25Å; D360-K363 PolarHBondContact O-N 3.34Å; D360-E364 WeakPolarHBondContact O-CB 3.45Å; D360-E364 PolarHBondContact O-N 3.38Å |
| 361 | K | 75.9 | Confident | 73.9 | Confident | 150 Ų | 150 | 97.1 Ų | 97.1 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.1 | -38.4 | 171.5 | -75.6 | -179.2 | 179.5 | -174.3 | 0 | 112.4 | K357 C358 E364 S365 | K357-K361 WeakPolarHBondContact O-CG 3.36Å; K357-K361 PolarHBondContact O-N 3.35Å; K357-K361 VanDerWaalsContact O-N 3.08Å; C358-K361 PolarHBondContact O-N 3.22Å; K361-E364 PolarHBondContact O-N 3.38Å; K361-S365 PolarHBondContact O-N 3.25Å; K361-S365 PolarHBondContact O-OG 3.46Å |
| 362 | F | 67.6 | Low | 74 | Confident | 126 Ų | 126 | 97.8 Ų | 97.8 | 55% | 0.553 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67 | -42.1 | 176.1 | -176.6 | -91 | 0 | 0 | 0 | 111.8 | C358 L359 D360 E364 S365 E366 | C358-F362 WeakPolarHBondContact O-CB 3.38Å; C358-F362 PolarHBondContact O-N 2.97Å; L359-F362 PolarHBondContact O-N 2.65Å; D360-F362 VanDerWaalsContact C-N 3.29Å; D360-F362 PolarHBondContact O-N 3.25Å; F362-E364 VanDerWaalsContact C-N 3.3Å; F362-E364 PolarHBondContact O-N 2.93Å; F362-S365 WeakPolarHBondContact CA-OG 3.41Å; F362-S365 PolarHBondContact O-N 3.4Å; F362-S365 PolarHBondContact O-OG 3.32Å; F362-E366 VanDerWaalsContact O-CB 3.26Å; F362-E366 WeakPolarHBondContact O-CB 3.35Å; F362-E366 PolarHBondContact O-N 2.95Å |
| 363 | K | 77.1 | Confident | 73.5 | Confident | 100 Ų | 100 | 97.9 Ų | 97.9 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -36.2 | 174.2 | -74.1 | 172.2 | -178.6 | 169.8 | 0 | 112 | L359 D360 K367 | L359-K363 WeakPolarHBondContact O-CG 3.44Å; L359-K363 PolarHBondContact O-N 3.48Å; D360-K363 PolarHBondContact O-N 3.34Å; K363-K367 WeakPolarHBondContact O-CB 3.21Å; K363-K367 WeakPolarHBondContact O-CG 3.49Å; K363-K367 PolarHBondContact O-N 2.94Å |
| 364 | E | 75.6 | Confident | 73.3 | Confident | 143 Ų | 143 | 98.4 Ų | 98.4 | 67% | 0.668 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.7 | -41.5 | 176.5 | -165.2 | 167.8 | -158 | 0 | 0 | 111.4 | D360 K361 F362 K367 L368 | D360-E364 WeakPolarHBondContact O-CB 3.45Å; D360-E364 PolarHBondContact O-N 3.38Å; K361-E364 PolarHBondContact O-N 3.38Å; F362-E364 VanDerWaalsContact C-N 3.3Å; F362-E364 PolarHBondContact O-N 2.93Å; E364-K367 PolarHBondContact O-N 3.48Å; E364-L368 PolarHBondContact O-N 2.98Å |
| 365 | S | 63.2 | Low | 73.3 | Confident | 55 Ų | 55 | 97.8 Ų | 97.8 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 173.3 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | K361 F362 L368 V369 | K361-S365 PolarHBondContact O-N 3.25Å; K361-S365 PolarHBondContact O-OG 3.46Å; F362-S365 WeakPolarHBondContact CA-OG 3.41Å; F362-S365 PolarHBondContact O-N 3.4Å; F362-S365 PolarHBondContact O-OG 3.32Å; S365-L368 WeakPolarHBondContact O-CB 3.29Å; S365-L368 PolarHBondContact O-N 3.21Å; S365-V369 VanDerWaalsContact O-CG2 3.3Å; S365-V369 WeakPolarHBondContact O-CG2 3.48Å; S365-V369 PolarHBondContact O-N 3.4Å |
| 366 | E | 67.9 | Low | 73.3 | Confident | 105 Ų | 105 | 99.8 Ų | 99.8 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 173.5 | -174.4 | 179.7 | -160.6 | 0 | 0 | 111.3 | F362 L368 V369 T370 | F362-E366 VanDerWaalsContact O-CB 3.26Å; F362-E366 WeakPolarHBondContact O-CB 3.35Å; F362-E366 PolarHBondContact O-N 2.95Å; E366-L368 VanDerWaalsContact C-N 3.33Å; E366-L368 PolarHBondContact O-N 2.99Å; E366-V369 PolarHBondContact O-N 3.01Å; E366-T370 WeakPolarHBondContact O-CB 3.5Å; E366-T370 WeakPolarHBondContact O-CG2 3.48Å; E366-T370 PolarHBondContact O-N 3.4Å; E366-T370 PolarHBondContact O-OG1 2.98Å |
| 367 | K | 77.1 | Confident | 73 | Confident | 159 Ų | 159 | 100.8 Ų | 100.8 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.3 | -40.3 | 172 | -79.3 | -179.8 | -179.8 | -178 | 0 | 112.5 | K363 E364 T370 G371 | K363-K367 WeakPolarHBondContact O-CB 3.21Å; K363-K367 WeakPolarHBondContact O-CG 3.49Å; K363-K367 PolarHBondContact O-N 2.94Å; E364-K367 PolarHBondContact O-N 3.48Å; K367-T370 VanDerWaalsContact CA-OG1 3.28Å; K367-T370 WeakPolarHBondContact CA-OG1 3.49Å; K367-T370 PolarHBondContact O-OG1 2.96Å; K367-G371 PolarHBondContact O-N 3.48Å |
| 368 | L | 76 | Confident | 72.7 | Confident | 113 Ų | 113 | 100 Ų | 100 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 177.3 | -173.9 | 68.8 | 0 | 0 | 0 | 111.8 | E364 S365 E366 G371 K372 | E364-L368 PolarHBondContact O-N 2.98Å; S365-L368 WeakPolarHBondContact O-CB 3.29Å; S365-L368 PolarHBondContact O-N 3.21Å; E366-L368 VanDerWaalsContact C-N 3.33Å; E366-L368 PolarHBondContact O-N 2.99Å; L368-G371 PolarHBondContact O-N 2.96Å; L368-K372 WeakPolarHBondContact O-CG 3.45Å; L368-K372 PolarHBondContact O-N 3.4Å |
| 369 | V | 65.5 | Low | 72.8 | Confident | 83 Ų | 83 | 101.8 Ų | 101.8 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 178 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | S365 E366 G371 K372 I373 | S365-V369 VanDerWaalsContact O-CG2 3.3Å; S365-V369 WeakPolarHBondContact O-CG2 3.48Å; S365-V369 PolarHBondContact O-N 3.4Å; E366-V369 PolarHBondContact O-N 3.01Å; V369-G371 VanDerWaalsContact C-N 3.32Å; V369-G371 PolarHBondContact O-N 3.33Å; V369-K372 PolarHBondContact O-N 3.06Å; V369-I373 HydrophobicContact CG1-CD1 3.85Å; V369-I373 HydrophobicContact CG1-CG1 4.4Å; V369-I373 VanDerWaalsContact O-CG1 3.32Å; V369-I373 WeakPolarHBondContact O-CG1 3.3Å; V369-I373 PolarHBondContact O-N 3.4Å |
| 370 | T | 69.7 | Low | 72.9 | Confident | 68 Ų | 68 | 103.8 Ų | 103.8 | 42% | 0.417 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 176 | 47.5 | 0 | 0 | 0 | 0 | 111.9 | E366 K367 I373 L374 | E366-T370 WeakPolarHBondContact O-CB 3.5Å; E366-T370 WeakPolarHBondContact O-CG2 3.48Å; E366-T370 PolarHBondContact O-N 3.4Å; E366-T370 PolarHBondContact O-OG1 2.98Å; K367-T370 VanDerWaalsContact CA-OG1 3.28Å; K367-T370 WeakPolarHBondContact CA-OG1 3.49Å; K367-T370 PolarHBondContact O-OG1 2.96Å; T370-I373 PolarHBondContact O-N 2.86Å; T370-L374 PolarHBondContact O-N 3.15Å |
| 371 | G | 74.5 | Confident | 72.9 | Confident | 27 Ų | 27 | 105.8 Ų | 105.8 | 28% | 0.278 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K367 L368 V369 I373 L374 D375 | K367-G371 PolarHBondContact O-N 3.48Å; L368-G371 PolarHBondContact O-N 2.96Å; V369-G371 VanDerWaalsContact C-N 3.32Å; V369-G371 PolarHBondContact O-N 3.33Å; G371-I373 VanDerWaalsContact C-N 3.33Å; G371-I373 PolarHBondContact O-N 3.37Å; G371-L374 WeakPolarHBondContact O-CB 3.34Å; G371-L374 PolarHBondContact O-N 2.86Å; G371-D375 PolarHBondContact O-N 3.3Å |
| 372 | K | 76.7 | Confident | 72.7 | Confident | 129 Ų | 129 | 102 Ų | 102 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.7 | -30.9 | 177 | -73.9 | -165.7 | 177.4 | -169.3 | 0 | 114 | L368 V369 D375 L376 | L368-K372 WeakPolarHBondContact O-CG 3.45Å; L368-K372 PolarHBondContact O-N 3.4Å; V369-K372 PolarHBondContact O-N 3.06Å; K372-D375 PolarHBondContact O-N 2.77Å; K372-L376 WeakPolarHBondContact O-CB 3.49Å; K372-L376 VanDerWaalsContact O-CG 3.3Å; K372-L376 WeakPolarHBondContact O-CG 3.41Å; K372-L376 PolarHBondContact O-N 2.95Å |
| 373 | I | 70 | Confident | 73.1 | Confident | 80 Ų | 80 | 103.4 Ų | 103.4 | 41% | 0.41 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -45.7 | 174.1 | -71 | 167.1 | 0 | 0 | 0 | 109.7 | V369 T370 G371 D375 L376 E377 | V369-I373 HydrophobicContact CG1-CD1 3.85Å; V369-I373 HydrophobicContact CG1-CG1 4.4Å; V369-I373 VanDerWaalsContact O-CG1 3.32Å; V369-I373 WeakPolarHBondContact O-CG1 3.3Å; V369-I373 PolarHBondContact O-N 3.4Å; T370-I373 PolarHBondContact O-N 2.86Å; G371-I373 VanDerWaalsContact C-N 3.33Å; G371-I373 PolarHBondContact O-N 3.37Å; I373-D375 VanDerWaalsContact C-N 3.33Å; I373-D375 PolarHBondContact O-N 3.35Å; I373-L376 PolarHBondContact O-N 2.79Å; I373-L376 VanDerWaalsContact O-N 3.14Å; I373-E377 HydrophobicContact CG2-CG 4.44Å; I373-E377 WeakPolarHBondContact O-CG 3.27Å; I373-E377 PolarHBondContact O-N 2.94Å |
| 374 | L | 77.1 | Confident | 73.1 | Confident | 103 Ų | 103 | 102.6 Ų | 102.6 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 173.5 | -83.7 | 158 | 0 | 0 | 0 | 112.1 | T370 G371 L376 E377 T378 | T370-L374 PolarHBondContact O-N 3.15Å; G371-L374 WeakPolarHBondContact O-CB 3.34Å; G371-L374 PolarHBondContact O-N 2.86Å; L374-L376 VanDerWaalsContact C-N 3.32Å; L374-L376 PolarHBondContact O-N 3Å; L374-E377 PolarHBondContact O-N 3.06Å; L374-T378 WeakPolarHBondContact O-CG2 3.48Å; L374-T378 PolarHBondContact O-N 3.48Å; L374-T378 PolarHBondContact O-OG1 2.95Å |
| 375 | D | 76.6 | Confident | 73.1 | Confident | 106 Ų | 106 | 98.4 Ų | 98.4 | 57% | 0.567 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -37.8 | 174.7 | -66.8 | -21.8 | 0 | 0 | 0 | 111.8 | G371 K372 I373 T378 L379 | G371-D375 PolarHBondContact O-N 3.3Å; K372-D375 PolarHBondContact O-N 2.77Å; I373-D375 VanDerWaalsContact C-N 3.33Å; I373-D375 PolarHBondContact O-N 3.35Å; D375-T378 WeakPolarHBondContact CA-OG1 3.44Å; D375-T378 PolarHBondContact O-OG1 2.89Å; D375-L379 WeakPolarHBondContact O-CB 3.32Å; D375-L379 PolarHBondContact O-N 3.34Å |
| 376 | L | 67.6 | Low | 73.6 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 60% | 0.602 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.2 | -39.3 | 176 | -76.9 | 169.7 | 0 | 0 | 0 | 112.4 | K372 I373 L374 L379 Q380 | K372-L376 WeakPolarHBondContact O-CB 3.49Å; K372-L376 VanDerWaalsContact O-CG 3.3Å; K372-L376 WeakPolarHBondContact O-CG 3.41Å; K372-L376 PolarHBondContact O-N 2.95Å; I373-L376 PolarHBondContact O-N 2.79Å; I373-L376 VanDerWaalsContact O-N 3.14Å; L374-L376 VanDerWaalsContact C-N 3.32Å; L374-L376 PolarHBondContact O-N 3Å; L376-L379 PolarHBondContact O-N 3.45Å; L376-Q380 VanDerWaalsContact O-CB 3.29Å; L376-Q380 WeakPolarHBondContact O-CB 3.35Å; L376-Q380 PolarHBondContact O-N 3.45Å |
| 377 | E | 75 | Confident | 74 | Confident | 102 Ų | 102 | 98.7 Ų | 98.7 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 175.3 | -75 | 175.7 | 168.1 | 0 | 0 | 110.7 | I373 L374 L379 Q380 E381 | I373-E377 HydrophobicContact CG2-CG 4.44Å; I373-E377 WeakPolarHBondContact O-CG 3.27Å; I373-E377 PolarHBondContact O-N 2.94Å; L374-E377 PolarHBondContact O-N 3.06Å; E377-L379 PolarHBondContact O-N 3.21Å; E377-Q380 WeakPolarHBondContact O-CB 3.29Å; E377-Q380 PolarHBondContact O-N 2.81Å; E377-E381 WeakPolarHBondContact O-CG 3.44Å; E377-E381 PolarHBondContact O-N 3.3Å |
| 378 | T | 74.8 | Confident | 74.1 | Confident | 79 Ų | 79 | 97 Ų | 97 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 175.3 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | L374 D375 Q380 S382 | L374-T378 WeakPolarHBondContact O-CG2 3.48Å; L374-T378 PolarHBondContact O-N 3.48Å; L374-T378 PolarHBondContact O-OG1 2.95Å; D375-T378 WeakPolarHBondContact CA-OG1 3.44Å; D375-T378 PolarHBondContact O-OG1 2.89Å; T378-Q380 VanDerWaalsContact C-N 3.35Å; T378-S382 WeakPolarHBondContact O-CB 3.49Å; T378-S382 PolarHBondContact O-N 2.73Å |
| 379 | L | 70 | Confident | 74.2 | Confident | 122 Ų | 122 | 98.6 Ų | 98.6 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -38.6 | 173.2 | -155.6 | 89.5 | 0 | 0 | 0 | 111.6 | D375 L376 E377 S382 Y383 | D375-L379 WeakPolarHBondContact O-CB 3.32Å; D375-L379 PolarHBondContact O-N 3.34Å; L376-L379 PolarHBondContact O-N 3.45Å; E377-L379 PolarHBondContact O-N 3.21Å; L379-S382 PolarHBondContact O-N 3.39Å; L379-Y383 WeakPolarHBondContact O-CB 3.41Å; L379-Y383 PolarHBondContact O-N 3.19Å |
| 380 | Q | 77.1 | Confident | 74.6 | Confident | 123 Ų | 123 | 98.2 Ų | 98.2 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.6 | -43.1 | 177.2 | -176.3 | 174 | -12.4 | 0 | 0 | 111.4 | L376 E377 T378 S382 Y383 I384 | L376-Q380 VanDerWaalsContact O-CB 3.29Å; L376-Q380 WeakPolarHBondContact O-CB 3.35Å; L376-Q380 PolarHBondContact O-N 3.45Å; E377-Q380 WeakPolarHBondContact O-CB 3.29Å; E377-Q380 PolarHBondContact O-N 2.81Å; T378-Q380 VanDerWaalsContact C-N 3.35Å; Q380-S382 VanDerWaalsContact C-N 3.33Å; Q380-S382 PolarHBondContact O-N 2.96Å; Q380-Y383 WeakPolarHBondContact O-CB 3.42Å; Q380-Y383 PolarHBondContact O-N 3.33Å; Q380-I384 HydrophobicContact CG-CD1 4.21Å; Q380-I384 WeakPolarHBondContact O-CG1 3.49Å; Q380-I384 PolarHBondContact O-N 3.48Å |
| 381 | E | 75.8 | Confident | 75 | Confident | 134 Ų | 134 | 100.8 Ų | 100.8 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.3 | -44 | 171.6 | -73.9 | 179.7 | 173.2 | 0 | 0 | 111.4 | E377 Y383 I384 A385 | E377-E381 WeakPolarHBondContact O-CG 3.44Å; E377-E381 PolarHBondContact O-N 3.3Å; E381-Y383 VanDerWaalsContact C-N 3.31Å; E381-Y383 PolarHBondContact O-N 2.85Å; E381-I384 PolarHBondContact O-N 3.29Å; E381-A385 WeakPolarHBondContact O-CB 3.36Å; E381-A385 PolarHBondContact O-N 3.23Å |
| 382 | S | 72.3 | Confident | 75.2 | Confident | 69 Ų | 69 | 104.8 Ų | 104.8 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 174.6 | -179 | 0 | 0 | 0 | 0 | 112.7 | T378 L379 Q380 M386 | T378-S382 WeakPolarHBondContact O-CB 3.49Å; T378-S382 PolarHBondContact O-N 2.73Å; L379-S382 PolarHBondContact O-N 3.39Å; Q380-S382 VanDerWaalsContact C-N 3.33Å; Q380-S382 PolarHBondContact O-N 2.96Å; S382-M386 WeakPolarHBondContact O-CB 3.46Å; S382-M386 PolarHBondContact O-N 3.46Å |
| 383 | Y | 75.7 | Confident | 75.1 | Confident | 157 Ų | 157 | 102.4 Ų | 102.4 | 62% | 0.616 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.2 | -43.4 | 176.8 | -177.8 | -96.3 | 0 | 0 | 0 | 111.3 | L379 Q380 E381 M386 D387 | L379-Y383 WeakPolarHBondContact O-CB 3.41Å; L379-Y383 PolarHBondContact O-N 3.19Å; Q380-Y383 WeakPolarHBondContact O-CB 3.42Å; Q380-Y383 PolarHBondContact O-N 3.33Å; E381-Y383 VanDerWaalsContact C-N 3.31Å; E381-Y383 PolarHBondContact O-N 2.85Å; Y383-M386 WeakPolarHBondContact O-CB 3.48Å; Y383-M386 PolarHBondContact O-N 3.03Å; Y383-D387 PolarHBondContact O-N 2.97Å |
| 384 | I | 78 | Confident | 75.4 | Confident | 83 Ų | 83 | 104.9 Ų | 104.9 | 43% | 0.426 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 175.2 | -68 | 165.6 | 0 | 0 | 0 | 110.2 | Q380 E381 M386 D387 E388 | Q380-I384 HydrophobicContact CG-CD1 4.21Å; Q380-I384 WeakPolarHBondContact O-CG1 3.49Å; Q380-I384 PolarHBondContact O-N 3.48Å; E381-I384 PolarHBondContact O-N 3.29Å; I384-M386 VanDerWaalsContact C-N 3.27Å; I384-M386 PolarHBondContact O-N 3.49Å; I384-D387 PolarHBondContact O-N 2.92Å; I384-D387 VanDerWaalsContact O-N 3.15Å; I384-E388 WeakPolarHBondContact O-CG 3.39Å; I384-E388 PolarHBondContact O-N 2.83Å |
| 385 | A | 75.6 | Confident | 75.3 | Confident | 54 Ų | 54 | 105.1 Ų | 105.1 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -35.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E381 K389 | E381-A385 WeakPolarHBondContact O-CB 3.36Å; E381-A385 PolarHBondContact O-N 3.23Å; A385-K389 WeakPolarHBondContact O-CB 3.47Å; A385-K389 PolarHBondContact O-N 3.18Å; A385-K389 VanDerWaalsContact O-N 3.12Å |
| 386 | M | 72.9 | Confident | 75.2 | Confident | 98 Ų | 98 | 105 Ų | 105 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.3 | -39.4 | 175 | -167.2 | -174.2 | -52.8 | 0 | 0 | 112.1 | S382 Y383 I384 K389 N390 | S382-M386 WeakPolarHBondContact O-CB 3.46Å; S382-M386 PolarHBondContact O-N 3.46Å; Y383-M386 WeakPolarHBondContact O-CB 3.48Å; Y383-M386 PolarHBondContact O-N 3.03Å; I384-M386 VanDerWaalsContact C-N 3.27Å; I384-M386 PolarHBondContact O-N 3.49Å; M386-K389 PolarHBondContact O-N 3.29Å; M386-N390 WeakPolarHBondContact O-CB 3.24Å; M386-N390 PolarHBondContact O-N 3Å; M386-N390 PolarHBondContact O-ND2 3.35Å |
| 387 | D | 76.9 | Confident | 75.5 | Confident | 68 Ų | 68 | 104 Ų | 104 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 177.7 | -162.7 | 51.7 | 0 | 0 | 0 | 111.7 | Y383 I384 K389 N390 K391 | Y383-D387 PolarHBondContact O-N 2.97Å; I384-D387 PolarHBondContact O-N 2.92Å; I384-D387 VanDerWaalsContact O-N 3.15Å; D387-K389 PolarHBondContact O-N 2.9Å; D387-N390 PolarHBondContact O-N 3.45Å; D387-K391 PolarHBondContact O-N 2.87Å |
| 388 | E | 79 | Confident | 75.7 | Confident | 125 Ų | 125 | 103.6 Ų | 103.6 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.4 | -45.3 | 171.6 | -73.5 | -179.9 | 170.5 | 0 | 0 | 111.6 | I384 N390 K391 L392 | I384-E388 WeakPolarHBondContact O-CG 3.39Å; I384-E388 PolarHBondContact O-N 2.83Å; E388-N390 VanDerWaalsContact C-N 3.33Å; E388-N390 PolarHBondContact O-N 3.49Å; E388-K391 PolarHBondContact O-N 3.29Å; E388-L392 PolarHBondContact O-N 3.24Å |
| 389 | K | 78.1 | Confident | 75.7 | Confident | 145 Ų | 145 | 105.7 Ų | 105.7 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -38.5 | 176 | -170.6 | 175.7 | -178.3 | 175.4 | 0 | 112.3 | A385 M386 D387 L392 L393 | A385-K389 WeakPolarHBondContact O-CB 3.47Å; A385-K389 PolarHBondContact O-N 3.18Å; A385-K389 VanDerWaalsContact O-N 3.12Å; M386-K389 PolarHBondContact O-N 3.29Å; D387-K389 PolarHBondContact O-N 2.9Å; K389-L392 PolarHBondContact O-N 3.29Å; K389-L393 HydrophobicContact CG-CD1 4.41Å; K389-L393 WeakPolarHBondContact O-CG 3.45Å; K389-L393 PolarHBondContact O-N 3.33Å |
| 390 | N | 73.1 | Confident | 75.8 | Confident | 76 Ų | 76 | 106.5 Ų | 106.5 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 176.1 | -79 | -24.2 | 0 | 0 | 0 | 112.3 | M386 D387 E388 L393 Q394 | M386-N390 WeakPolarHBondContact O-CB 3.24Å; M386-N390 PolarHBondContact O-N 3Å; M386-N390 PolarHBondContact O-ND2 3.35Å; D387-N390 PolarHBondContact O-N 3.45Å; E388-N390 VanDerWaalsContact C-N 3.33Å; E388-N390 PolarHBondContact O-N 3.49Å; N390-L393 PolarHBondContact O-N 2.86Å; N390-Q394 WeakPolarHBondContact O-CB 3.24Å; N390-Q394 WeakPolarHBondContact O-CG 3.32Å; N390-Q394 PolarHBondContact O-N 3.36Å |
| 391 | K | 78.7 | Confident | 75.5 | Confident | 122 Ų | 122 | 109 Ų | 109 | 53% | 0.53 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 172.5 | -83.1 | 179.7 | -179.9 | 166.7 | 0 | 111.5 | D387 E388 L393 Q394 D395 | D387-K391 PolarHBondContact O-N 2.87Å; E388-K391 PolarHBondContact O-N 3.29Å; K391-L393 VanDerWaalsContact C-N 3.33Å; K391-L393 PolarHBondContact O-N 2.93Å; K391-Q394 WeakPolarHBondContact O-CB 3.42Å; K391-Q394 PolarHBondContact O-N 3.41Å; K391-Q394 VanDerWaalsContact O-N 3.1Å; K391-D395 PolarHBondContact O-N 3.37Å |
| 392 | L | 79.3 | Confident | 75.5 | Confident | 111 Ų | 111 | 108.2 Ų | 108.2 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.5 | -43 | 178.1 | -137.8 | 149.5 | 0 | 0 | 0 | 111.6 | E388 K389 D395 E396 | E388-L392 PolarHBondContact O-N 3.24Å; K389-L392 PolarHBondContact O-N 3.29Å; L392-D395 PolarHBondContact O-N 2.95Å; L392-E396 WeakPolarHBondContact O-CG 3.47Å; L392-E396 PolarHBondContact O-N 3.16Å |
| 393 | L | 73.7 | Confident | 75.8 | Confident | 79 Ų | 79 | 109.9 Ų | 109.9 | 41% | 0.414 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -36 | 173.5 | -77.9 | 165.4 | 0 | 0 | 0 | 113.2 | K389 N390 K391 L397 | K389-L393 HydrophobicContact CG-CD1 4.41Å; K389-L393 WeakPolarHBondContact O-CG 3.45Å; K389-L393 PolarHBondContact O-N 3.33Å; N390-L393 PolarHBondContact O-N 2.86Å; K391-L393 VanDerWaalsContact C-N 3.33Å; K391-L393 PolarHBondContact O-N 2.93Å; L393-L397 WeakPolarHBondContact O-CB 3.43Å; L393-L397 PolarHBondContact O-N 2.9Å |
| 394 | Q | 75.3 | Confident | 75.5 | Confident | 131 Ų | 131 | 107.5 Ų | 107.5 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67 | -41.8 | 175.3 | -80.1 | -177.5 | 0.2 | 0 | 0 | 111.7 | N390 K391 L397 L398 | N390-Q394 WeakPolarHBondContact O-CB 3.24Å; N390-Q394 WeakPolarHBondContact O-CG 3.32Å; N390-Q394 PolarHBondContact O-N 3.36Å; K391-Q394 WeakPolarHBondContact O-CB 3.42Å; K391-Q394 PolarHBondContact O-N 3.41Å; K391-Q394 VanDerWaalsContact O-N 3.1Å; Q394-L397 PolarHBondContact O-N 2.95Å; Q394-L398 WeakPolarHBondContact O-CB 3.47Å; Q394-L398 PolarHBondContact O-N 3.31Å |
| 395 | D | 76.1 | Confident | 75.2 | Confident | 108 Ų | 108 | 109.1 Ų | 109.1 | 58% | 0.578 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 176.3 | -71.7 | -19.5 | 0 | 0 | 0 | 111.2 | K391 L392 L398 H399 | K391-D395 PolarHBondContact O-N 3.37Å; L392-D395 PolarHBondContact O-N 2.95Å; D395-L398 PolarHBondContact O-N 2.95Å; D395-H399 WeakPolarHBondContact O-CB 3.43Å; D395-H399 PolarHBondContact O-N 2.66Å |
| 396 | E | 75 | Confident | 75.1 | Confident | 103 Ų | 103 | 110.1 Ų | 110.1 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 172.3 | -76.3 | -177.8 | 171.9 | 0 | 0 | 112 | L392 L398 H399 W400 | L392-E396 WeakPolarHBondContact O-CG 3.47Å; L392-E396 PolarHBondContact O-N 3.16Å; E396-L398 VanDerWaalsContact C-N 3.32Å; E396-L398 PolarHBondContact O-N 3.01Å; E396-H399 PolarHBondContact O-N 3.38Å; E396-W400 PolarHBondContact O-N 3.45Å |
| 397 | L | 73 | Confident | 75.1 | Confident | 96 Ų | 96 | 108.5 Ų | 108.5 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 176.2 | -95.2 | 160.5 | 0 | 0 | 0 | 112.3 | L393 Q394 W400 R401 | L393-L397 WeakPolarHBondContact O-CB 3.43Å; L393-L397 PolarHBondContact O-N 2.9Å; Q394-L397 PolarHBondContact O-N 2.95Å; L397-W400 PolarHBondContact O-N 2.95Å; L397-R401 WeakPolarHBondContact O-CG 3.46Å; L397-R401 PolarHBondContact O-N 3.13Å |
| 398 | L | 78.9 | Confident | 74.8 | Confident | 93 Ų | 93 | 109.8 Ų | 109.8 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 176.4 | -171.2 | 73.5 | 0 | 0 | 0 | 110.6 | Q394 D395 E396 W400 R401 Q402 | Q394-L398 WeakPolarHBondContact O-CB 3.47Å; Q394-L398 PolarHBondContact O-N 3.31Å; D395-L398 PolarHBondContact O-N 2.95Å; E396-L398 VanDerWaalsContact C-N 3.32Å; E396-L398 PolarHBondContact O-N 3.01Å; L398-W400 PolarHBondContact O-N 3.4Å; L398-R401 PolarHBondContact O-N 3.1Å; L398-Q402 WeakPolarHBondContact O-CG 3.35Å; L398-Q402 PolarHBondContact O-N 3.44Å |
| 399 | H | 76.4 | Confident | 74.6 | Confident | 122 Ų | 122 | 108 Ų | 108 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.3 | -45.1 | 175.8 | -173.7 | 64.9 | 0 | 0 | 0 | 111.8 | D395 E396 Q402 K403 | D395-H399 WeakPolarHBondContact O-CB 3.43Å; D395-H399 PolarHBondContact O-N 2.66Å; E396-H399 PolarHBondContact O-N 3.38Å; H399-Q402 PolarHBondContact O-N 3.42Å; H399-K403 WeakPolarHBondContact O-CB 3.38Å; H399-K403 PolarHBondContact O-N 2.97Å |
| 400 | W | 71 | Confident | 74.1 | Confident | 139 Ų | 139 | 106.4 Ų | 106.4 | 53% | 0.527 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 175.4 | -84.1 | 106.9 | 0 | 0 | 0 | 113 | E396 L397 L398 K403 H404 | E396-W400 PolarHBondContact O-N 3.45Å; L397-W400 PolarHBondContact O-N 2.95Å; L398-W400 PolarHBondContact O-N 3.4Å; W400-K403 HydrophobicContact CE3-CD 4.45Å; W400-K403 HydrophobicContact CZ3-CD 4.34Å; W400-K403 PolarHBondContact O-N 3.37Å; W400-H404 AromaticContact CE3-NE2 3.89Å; W400-H404 PolarHBondContact O-CD2 3.22Å; W400-H404 PolarHBondContact O-N 3.31Å |
| 401 | R | 71.6 | Confident | 73.7 | Confident | 176 Ų | 176 | 107.8 Ų | 107.8 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 175.4 | -76.6 | -173.5 | -146.1 | -161.5 | 5.8 | 112.2 | L397 L398 K403 H404 H405 | L397-R401 WeakPolarHBondContact O-CG 3.46Å; L397-R401 PolarHBondContact O-N 3.13Å; L398-R401 PolarHBondContact O-N 3.1Å; R401-K403 VanDerWaalsContact C-N 3.34Å; R401-H404 PolarHBondContact O-N 3.5Å; R401-H405 WeakPolarHBondContact O-CB 3.26Å; R401-H405 PolarHBondContact O-N 3.11Å |
| 402 | Q | 74.9 | Confident | 73.2 | Confident | 118 Ų | 118 | 106.6 Ų | 106.6 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -42.8 | 177.7 | -74.7 | 175.8 | -8.3 | 0 | 0 | 111.3 | L398 H399 H405 S406 | L398-Q402 WeakPolarHBondContact O-CG 3.35Å; L398-Q402 PolarHBondContact O-N 3.44Å; H399-Q402 PolarHBondContact O-N 3.42Å; Q402-H405 PolarHBondContact O-N 3.12Å; Q402-S406 PolarHBondContact O-N 3.33Å |
| 403 | K | 78.5 | Confident | 72.9 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 45% | 0.452 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -51.7 | 174.6 | -174.1 | 176.6 | 179.4 | 179.1 | 0 | 111.9 | H399 W400 R401 H405 S406 D407 | H399-K403 WeakPolarHBondContact O-CB 3.38Å; H399-K403 PolarHBondContact O-N 2.97Å; W400-K403 HydrophobicContact CE3-CD 4.45Å; W400-K403 HydrophobicContact CZ3-CD 4.34Å; W400-K403 PolarHBondContact O-N 3.37Å; R401-K403 VanDerWaalsContact C-N 3.34Å; K403-H405 VanDerWaalsContact C-N 3.27Å; K403-H405 PolarHBondContact O-N 3.39Å; K403-S406 WeakPolarHBondContact O-CB 3.48Å; K403-S406 PolarHBondContact O-N 2.89Å; K403-S406 VanDerWaalsContact O-N 3.12Å; K403-D407 VanDerWaalsContact O-CG 3.27Å; K403-D407 PolarHBondContact O-N 2.83Å |
| 404 | H | 69.9 | Low | 72.5 | Confident | 107 Ų | 107 | 105.4 Ų | 105.4 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -37.5 | 176.7 | -79.4 | -60 | 0 | 0 | 0 | 112.9 | W400 R401 D407 I408 | W400-H404 AromaticContact CE3-NE2 3.89Å; W400-H404 PolarHBondContact O-CD2 3.22Å; W400-H404 PolarHBondContact O-N 3.31Å; R401-H404 PolarHBondContact O-N 3.5Å; H404-D407 PolarHBondContact O-N 3.32Å; H404-I408 VanDerWaalsContact O-CG1 3.24Å; H404-I408 WeakPolarHBondContact O-CG1 3.42Å; H404-I408 PolarHBondContact O-N 3.03Å |
| 405 | H | 70.7 | Confident | 72 | Confident | 117 Ų | 117 | 103.5 Ų | 103.5 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 176.4 | -169.3 | 59.9 | 0 | 0 | 0 | 111.9 | R401 Q402 K403 D407 I408 I409 | R401-H405 WeakPolarHBondContact O-CB 3.26Å; R401-H405 PolarHBondContact O-N 3.11Å; Q402-H405 PolarHBondContact O-N 3.12Å; K403-H405 VanDerWaalsContact C-N 3.27Å; K403-H405 PolarHBondContact O-N 3.39Å; H405-D407 VanDerWaalsContact C-N 3.35Å; H405-I408 PolarHBondContact O-N 3.46Å; H405-I409 WeakPolarHBondContact O-CG1 3.49Å; H405-I409 PolarHBondContact O-N 3.39Å |
| 406 | S | 73.9 | Confident | 71.8 | Confident | 74 Ų | 74 | 102.5 Ų | 102.5 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 174.6 | -156.6 | 0 | 0 | 0 | 0 | 111.8 | Q402 K403 I409 Q410 | Q402-S406 PolarHBondContact O-N 3.33Å; K403-S406 WeakPolarHBondContact O-CB 3.48Å; K403-S406 PolarHBondContact O-N 2.89Å; K403-S406 VanDerWaalsContact O-N 3.12Å; S406-I409 PolarHBondContact O-N 3.32Å; S406-Q410 PolarHBondContact O-N 2.88Å |
| 407 | D | 73.5 | Confident | 71.5 | Confident | 64 Ų | 64 | 103.1 Ų | 103.1 | 34% | 0.342 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 176.3 | -62.5 | -19.7 | 0 | 0 | 0 | 111.4 | K403 H404 H405 Q410 M411 | K403-D407 VanDerWaalsContact O-CG 3.27Å; K403-D407 PolarHBondContact O-N 2.83Å; H404-D407 PolarHBondContact O-N 3.32Å; H405-D407 VanDerWaalsContact C-N 3.35Å; D407-Q410 PolarHBondContact O-N 2.87Å; D407-M411 HydrophobicContact CB-CE 4.47Å; D407-M411 WeakPolarHBondContact O-CE 3.39Å; D407-M411 WeakPolarHBondContact O-CG 3.4Å; D407-M411 PolarHBondContact O-N 2.89Å |
| 408 | I | 69.9 | Low | 71.1 | Confident | 96 Ų | 96 | 103.9 Ų | 103.9 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 176.1 | -71.5 | 166.1 | 0 | 0 | 0 | 111.3 | H404 H405 Q410 M411 Q412 | H404-I408 VanDerWaalsContact O-CG1 3.24Å; H404-I408 WeakPolarHBondContact O-CG1 3.42Å; H404-I408 PolarHBondContact O-N 3.03Å; H405-I408 PolarHBondContact O-N 3.46Å; I408-Q410 VanDerWaalsContact C-N 3.31Å; I408-Q410 PolarHBondContact O-N 3.37Å; I408-M411 HydrophobicContact CG1-CE 4.27Å; I408-M411 PolarHBondContact O-N 3.06Å; I408-Q412 WeakPolarHBondContact O-CB 3.33Å; I408-Q412 PolarHBondContact O-N 3.39Å |
| 409 | I | 75.4 | Confident | 70.6 | Confident | 87 Ų | 87 | 102.2 Ų | 102.2 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 176.9 | -70.5 | 164.8 | 0 | 0 | 0 | 110 | H405 S406 Q412 T413 | H405-I409 WeakPolarHBondContact O-CG1 3.49Å; H405-I409 PolarHBondContact O-N 3.39Å; S406-I409 PolarHBondContact O-N 3.32Å; I409-Q412 PolarHBondContact O-N 3.32Å; I409-T413 PolarHBondContact O-N 3.08Å; I409-T413 PolarHBondContact O-OG1 2.88Å |
| 410 | Q | 67.7 | Low | 70.3 | Confident | 111 Ų | 111 | 100.3 Ų | 100.3 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 176.9 | -175.1 | 178.6 | -11.8 | 0 | 0 | 111.6 | S406 D407 I408 Q412 T413 E414 | S406-Q410 PolarHBondContact O-N 2.88Å; D407-Q410 PolarHBondContact O-N 2.87Å; I408-Q410 VanDerWaalsContact C-N 3.31Å; I408-Q410 PolarHBondContact O-N 3.37Å; Q410-Q412 VanDerWaalsContact C-N 3.33Å; Q410-Q412 PolarHBondContact O-N 3.2Å; Q410-T413 WeakPolarHBondContact O-CB 3.42Å; Q410-T413 PolarHBondContact O-N 2.95Å; Q410-T413 VanDerWaalsContact O-N 3.16Å; Q410-E414 PolarHBondContact NE2-OE1 3.38Å; Q410-E414 PolarHBondContact O-N 3.46Å; Q410-E414 VanDerWaalsContact O-N 3.07Å |
| 411 | M | 63.4 | Low | 70 | Confident | 105 Ų | 105 | 99.1 Ų | 99.1 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 177.6 | -74.2 | -174.4 | -76.4 | 0 | 0 | 112.7 | D407 I408 T413 E414 I415 | D407-M411 HydrophobicContact CB-CE 4.47Å; D407-M411 WeakPolarHBondContact O-CE 3.39Å; D407-M411 WeakPolarHBondContact O-CG 3.4Å; D407-M411 PolarHBondContact O-N 2.89Å; I408-M411 HydrophobicContact CG1-CE 4.27Å; I408-M411 PolarHBondContact O-N 3.06Å; M411-T413 VanDerWaalsContact C-N 3.32Å; M411-T413 PolarHBondContact O-N 3.29Å; M411-E414 PolarHBondContact O-N 3.31Å; M411-I415 WeakPolarHBondContact O-CG1 3.5Å; M411-I415 PolarHBondContact O-N 3.03Å |
| 412 | Q | 69.9 | Low | 70 | Confident | 98 Ų | 98 | 94.8 Ų | 94.8 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.5 | -169.5 | 66 | 45.5 | 0 | 0 | 111.2 | I408 I409 Q410 E414 I415 D416 | I408-Q412 WeakPolarHBondContact O-CB 3.33Å; I408-Q412 PolarHBondContact O-N 3.39Å; I409-Q412 PolarHBondContact O-N 3.32Å; Q410-Q412 VanDerWaalsContact C-N 3.33Å; Q410-Q412 PolarHBondContact O-N 3.2Å; Q412-E414 VanDerWaalsContact C-N 3.31Å; Q412-E414 PolarHBondContact O-N 2.98Å; Q412-I415 PolarHBondContact O-N 3.08Å; Q412-D416 PolarHBondContact NE2-OD1 3.37Å; Q412-D416 VanDerWaalsContact O-CG 3.26Å; Q412-D416 PolarHBondContact O-N 3.4Å |
| 413 | T | 72.5 | Confident | 69.8 | Low | 70 Ų | 70 | 94.3 Ų | 94.3 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 178.5 | -40.1 | 0 | 0 | 0 | 0 | 111.4 | I409 Q410 M411 Q417 | I409-T413 PolarHBondContact O-N 3.08Å; I409-T413 PolarHBondContact O-OG1 2.88Å; Q410-T413 WeakPolarHBondContact O-CB 3.42Å; Q410-T413 PolarHBondContact O-N 2.95Å; Q410-T413 VanDerWaalsContact O-N 3.16Å; M411-T413 VanDerWaalsContact C-N 3.32Å; M411-T413 PolarHBondContact O-N 3.29Å; T413-Q417 WeakPolarHBondContact O-CG 3.49Å; T413-Q417 PolarHBondContact O-N 3.24Å; T413-Q417 VanDerWaalsContact O-N 3.16Å |
| 414 | E | 64.8 | Low | 69.4 | Low | 95 Ų | 95 | 95.8 Ų | 95.8 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 175 | -71.4 | 173.8 | -165.2 | 0 | 0 | 112.2 | Q410 M411 Q412 D416 Q417 L418 | Q410-E414 PolarHBondContact NE2-OE1 3.38Å; Q410-E414 PolarHBondContact O-N 3.46Å; Q410-E414 VanDerWaalsContact O-N 3.07Å; M411-E414 PolarHBondContact O-N 3.31Å; Q412-E414 VanDerWaalsContact C-N 3.31Å; Q412-E414 PolarHBondContact O-N 2.98Å; E414-D416 VanDerWaalsContact C-N 3.35Å; E414-D416 PolarHBondContact O-N 3.47Å; E414-Q417 PolarHBondContact O-N 3.44Å; E414-L418 WeakPolarHBondContact O-CG 3.35Å; E414-L418 PolarHBondContact O-N 2.91Å |
| 415 | I | 64.2 | Low | 69.4 | Low | 90 Ų | 90 | 96 Ų | 96 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 175.6 | -71 | 167.4 | 0 | 0 | 0 | 111.5 | M411 Q412 Q417 L418 S419 | M411-I415 WeakPolarHBondContact O-CG1 3.5Å; M411-I415 PolarHBondContact O-N 3.03Å; Q412-I415 PolarHBondContact O-N 3.08Å; I415-Q417 VanDerWaalsContact C-N 3.35Å; I415-L418 PolarHBondContact O-N 2.96Å; I415-S419 WeakPolarHBondContact O-CB 3.48Å; I415-S419 PolarHBondContact O-N 3.36Å; I415-S419 PolarHBondContact O-OG 2.84Å |
| 416 | D | 72.1 | Confident | 69.4 | Low | 87 Ų | 87 | 96.8 Ų | 96.8 | 47% | 0.465 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 179.4 | -66.7 | -17.5 | 0 | 0 | 0 | 111.2 | Q412 E414 S419 T420 | Q412-D416 PolarHBondContact NE2-OD1 3.37Å; Q412-D416 VanDerWaalsContact O-CG 3.26Å; Q412-D416 PolarHBondContact O-N 3.4Å; E414-D416 VanDerWaalsContact C-N 3.35Å; E414-D416 PolarHBondContact O-N 3.47Å; D416-S419 PolarHBondContact O-N 3.13Å; D416-T420 PolarHBondContact O-N 3.01Å; D416-T420 VanDerWaalsContact O-N 3.13Å; D416-T420 PolarHBondContact O-OG1 3.44Å |
| 417 | Q | 69.8 | Low | 69.3 | Low | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 172.2 | -75.5 | 176.4 | -3.2 | 0 | 0 | 112.2 | T413 E414 I415 S419 T420 E421 | T413-Q417 WeakPolarHBondContact O-CG 3.49Å; T413-Q417 PolarHBondContact O-N 3.24Å; T413-Q417 VanDerWaalsContact O-N 3.16Å; E414-Q417 PolarHBondContact O-N 3.44Å; I415-Q417 VanDerWaalsContact C-N 3.35Å; Q417-S419 VanDerWaalsContact C-N 3.26Å; Q417-S419 PolarHBondContact O-N 3.08Å; Q417-T420 WeakPolarHBondContact CA-OG1 3.39Å; Q417-T420 PolarHBondContact O-N 2.92Å; Q417-T420 PolarHBondContact O-OG1 2.96Å; Q417-E421 PolarHBondContact O-N 3.48Å; Q417-E421 VanDerWaalsContact O-N 3.13Å |
| 418 | L | 63.6 | Low | 69.1 | Low | 111 Ų | 111 | 102.3 Ų | 102.3 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -32.3 | 177.8 | -69.4 | 172 | 0 | 0 | 0 | 112.6 | E414 I415 N422 | E414-L418 WeakPolarHBondContact O-CG 3.35Å; E414-L418 PolarHBondContact O-N 2.91Å; I415-L418 PolarHBondContact O-N 2.96Å; L418-N422 WeakPolarHBondContact O-CB 3.45Å; L418-N422 PolarHBondContact O-N 3.27Å; L418-N422 VanDerWaalsContact O-N 3.12Å |
| 419 | S | 68.3 | Low | 69 | Low | 59 Ų | 59 | 104.2 Ų | 104.2 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 177.4 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | I415 D416 Q417 I423 | I415-S419 WeakPolarHBondContact O-CB 3.48Å; I415-S419 PolarHBondContact O-N 3.36Å; I415-S419 PolarHBondContact O-OG 2.84Å; D416-S419 PolarHBondContact O-N 3.13Å; Q417-S419 VanDerWaalsContact C-N 3.26Å; Q417-S419 PolarHBondContact O-N 3.08Å; S419-I423 WeakPolarHBondContact O-CG1 3.45Å; S419-I423 PolarHBondContact O-N 2.92Å |
| 420 | T | 69.9 | Low | 68.9 | Low | 81 Ų | 81 | 107.7 Ų | 107.7 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -44.7 | 176.1 | 37.8 | 0 | 0 | 0 | 0 | 111.5 | D416 Q417 N422 I423 E424 | D416-T420 PolarHBondContact O-N 3.01Å; D416-T420 VanDerWaalsContact O-N 3.13Å; D416-T420 PolarHBondContact O-OG1 3.44Å; Q417-T420 WeakPolarHBondContact CA-OG1 3.39Å; Q417-T420 PolarHBondContact O-N 2.92Å; Q417-T420 PolarHBondContact O-OG1 2.96Å; T420-N422 VanDerWaalsContact C-N 3.31Å; T420-N422 PolarHBondContact O-N 3.17Å; T420-I423 PolarHBondContact O-N 3.37Å; T420-E424 PolarHBondContact O-N 3Å |
| 421 | E | 65.1 | Low | 69.1 | Low | 115 Ų | 115 | 106.9 Ų | 106.9 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.4 | -38.4 | 174.9 | -70.7 | -179.5 | 176.8 | 0 | 0 | 113 | Q417 I423 E424 L425 | Q417-E421 PolarHBondContact O-N 3.48Å; Q417-E421 VanDerWaalsContact O-N 3.13Å; E421-I423 VanDerWaalsContact C-N 3.34Å; E421-I423 PolarHBondContact O-N 3.23Å; E421-E424 PolarHBondContact O-N 3.05Å; E421-L425 PolarHBondContact O-N 2.9Å |
| 422 | N | 71.5 | Confident | 69.3 | Low | 84 Ų | 84 | 107.7 Ų | 107.7 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.5 | -31.9 | 178.9 | -168 | 19.4 | 0 | 0 | 0 | 112.9 | L418 T420 K426 | L418-N422 WeakPolarHBondContact O-CB 3.45Å; L418-N422 PolarHBondContact O-N 3.27Å; L418-N422 VanDerWaalsContact O-N 3.12Å; T420-N422 VanDerWaalsContact C-N 3.31Å; T420-N422 PolarHBondContact O-N 3.17Å; N422-K426 WeakPolarHBondContact O-CG 3.49Å; N422-K426 PolarHBondContact O-N 3.29Å |
| 423 | I | 71.7 | Confident | 69.2 | Low | 108 Ų | 108 | 109 Ų | 109 | 55% | 0.554 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.7 | -44.7 | 175.2 | -68.2 | 166.2 | 0 | 0 | 0 | 110 | S419 T420 E421 L425 K426 E427 | S419-I423 WeakPolarHBondContact O-CG1 3.45Å; S419-I423 PolarHBondContact O-N 2.92Å; T420-I423 PolarHBondContact O-N 3.37Å; E421-I423 VanDerWaalsContact C-N 3.34Å; E421-I423 PolarHBondContact O-N 3.23Å; I423-L425 VanDerWaalsContact C-N 3.34Å; I423-L425 PolarHBondContact O-N 3.41Å; I423-K426 PolarHBondContact O-N 3.38Å; I423-E427 PolarHBondContact O-N 2.86Å; I423-E427 VanDerWaalsContact O-N 3.12Å |
| 424 | E | 70.8 | Confident | 68.8 | Low | 135 Ų | 135 | 109.2 Ų | 109.2 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61 | -41.5 | 177.4 | -67.5 | -178.7 | 175.6 | 0 | 0 | 111.9 | T420 E421 K426 E427 L428 | T420-E424 PolarHBondContact O-N 3Å; E421-E424 PolarHBondContact O-N 3.05Å; E424-K426 PolarHBondContact O-N 3.45Å; E424-E427 PolarHBondContact O-N 3.01Å; E424-L428 PolarHBondContact O-N 3.26Å; E424-L428 VanDerWaalsContact O-N 3.1Å |
| 425 | L | 68.9 | Low | 68.9 | Low | 113 Ų | 113 | 108.4 Ų | 108.4 | 59% | 0.592 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.3 | -40.9 | 175.4 | -82.8 | 167.5 | 0 | 0 | 0 | 113 | E421 I423 L428 E429 | E421-L425 PolarHBondContact O-N 2.9Å; I423-L425 VanDerWaalsContact C-N 3.34Å; I423-L425 PolarHBondContact O-N 3.41Å; L425-L428 WeakPolarHBondContact O-CB 3.44Å; L425-L428 PolarHBondContact O-N 3.33Å; L425-E429 PolarHBondContact O-N 3.24Å |
| 426 | K | 71.3 | Confident | 68.8 | Low | 132 Ų | 132 | 108.7 Ų | 108.7 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.1 | -36.6 | 178.2 | -78 | 179.8 | -179.7 | 175.6 | 0 | 112.8 | N422 I423 E424 K430 | N422-K426 WeakPolarHBondContact O-CG 3.49Å; N422-K426 PolarHBondContact O-N 3.29Å; I423-K426 PolarHBondContact O-N 3.38Å; E424-K426 PolarHBondContact O-N 3.45Å; K426-K430 WeakPolarHBondContact O-CB 3.45Å; K426-K430 PolarHBondContact O-N 2.89Å; K426-K430 VanDerWaalsContact O-N 3.12Å |
| 427 | E | 71.6 | Confident | 68.7 | Low | 133 Ų | 133 | 111.1 Ų | 111.1 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.7 | -38.8 | 173.9 | -86.9 | -171.4 | 148.3 | 0 | 0 | 112.1 | I423 E424 K430 T431 | I423-E427 PolarHBondContact O-N 2.86Å; I423-E427 VanDerWaalsContact O-N 3.12Å; E424-E427 PolarHBondContact O-N 3.01Å; E427-K430 PolarHBondContact O-N 3.34Å; E427-T431 PolarHBondContact O-N 2.96Å; E427-T431 VanDerWaalsContact O-N 3.13Å; E427-T431 PolarHBondContact O-OG1 3.36Å |
| 428 | L | 68.6 | Low | 68.6 | Low | 122 Ų | 122 | 113.1 Ų | 113.1 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.9 | -45.2 | 175.4 | -150.1 | 89 | 0 | 0 | 0 | 111.6 | E424 L425 K430 T431 L432 | E424-L428 PolarHBondContact O-N 3.26Å; E424-L428 VanDerWaalsContact O-N 3.1Å; L425-L428 WeakPolarHBondContact O-CB 3.44Å; L425-L428 PolarHBondContact O-N 3.33Å; L428-K430 PolarHBondContact O-N 2.93Å; L428-T431 PolarHBondContact O-N 2.9Å; L428-L432 PolarHBondContact O-N 3.4Å; L428-L432 VanDerWaalsContact O-N 3.11Å |
| 429 | E | 68.7 | Low | 68.6 | Low | 135 Ų | 135 | 112 Ų | 112 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62 | -43 | 178.7 | -170.3 | 177.7 | -164.3 | 0 | 0 | 112 | L425 T431 L432 M433 | L425-E429 PolarHBondContact O-N 3.24Å; E429-T431 VanDerWaalsContact C-N 3.31Å; E429-T431 PolarHBondContact O-N 3.08Å; E429-L432 PolarHBondContact O-N 3.37Å; E429-M433 PolarHBondContact O-N 2.85Å |
| 430 | K | 72 | Confident | 68.7 | Low | 161 Ų | 161 | 114.8 Ų | 114.8 | 70% | 0.7 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.6 | -39 | 178.5 | -160.8 | 177.6 | -175.8 | -177.6 | 0 | 112 | K426 E427 L428 C434 | K426-K430 WeakPolarHBondContact O-CB 3.45Å; K426-K430 PolarHBondContact O-N 2.89Å; K426-K430 VanDerWaalsContact O-N 3.12Å; E427-K430 PolarHBondContact O-N 3.34Å; L428-K430 PolarHBondContact O-N 2.93Å; K430-C434 PolarHBondContact O-N 2.85Å |
| 431 | T | 71.8 | Confident | 68.6 | Low | 94 Ų | 94 | 114.2 Ų | 114.2 | 58% | 0.577 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.8 | -40.2 | 177.4 | -50.1 | 0 | 0 | 0 | 0 | 111.2 | E427 L428 E429 T435 | E427-T431 PolarHBondContact O-N 2.96Å; E427-T431 VanDerWaalsContact O-N 3.13Å; E427-T431 PolarHBondContact O-OG1 3.36Å; L428-T431 PolarHBondContact O-N 2.9Å; E429-T431 VanDerWaalsContact C-N 3.31Å; E429-T431 PolarHBondContact O-N 3.08Å; T431-T435 PolarHBondContact O-N 2.98Å; T431-T435 PolarHBondContact O-OG1 2.88Å |
| 432 | L | 67.4 | Low | 68.6 | Low | 121 Ų | 121 | 113.5 Ų | 113.5 | 63% | 0.634 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65 | -43.4 | 178.8 | -147.3 | 104.6 | 0 | 0 | 0 | 112 | L428 E429 T435 N436 | L428-L432 PolarHBondContact O-N 3.4Å; L428-L432 VanDerWaalsContact O-N 3.11Å; E429-L432 PolarHBondContact O-N 3.37Å; L432-T435 WeakPolarHBondContact O-CB 3.29Å; L432-T435 PolarHBondContact O-N 3.47Å; L432-T435 VanDerWaalsContact O-N 3.16Å; L432-N436 PolarHBondContact O-N 3.31Å; L432-N436 VanDerWaalsContact O-N 3.11Å |
| 433 | M | 68.8 | Low | 68.4 | Low | 125 Ų | 125 | 114 Ų | 114 | 62% | 0.616 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.1 | -48.5 | 177.1 | -80 | -88.1 | -73.1 | 0 | 0 | 112.5 | E429 T435 N436 E437 | E429-M433 PolarHBondContact O-N 2.85Å; M433-T435 PolarHBondContact O-N 3.26Å; M433-N436 PolarHBondContact O-N 3.39Å; M433-N436 VanDerWaalsContact O-N 3.15Å; M433-E437 PolarHBondContact O-N 3.42Å |
| 434 | C | 64.4 | Low | 68.4 | Low | 76 Ų | 76 | 115.6 Ų | 115.6 | 51% | 0.514 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.2 | -29.9 | 177.2 | -87.6 | 0 | 0 | 0 | 0 | 113.3 | K430 | K430-C434 PolarHBondContact O-N 2.85Å |
| 435 | T | 66.5 | Low | 68.2 | Low | 77 Ų | 77 | 117.6 Ų | 117.6 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.7 | -36.9 | 178.6 | -40.1 | 0 | 0 | 0 | 0 | 110.9 | T431 L432 M433 K438 N439 | T431-T435 PolarHBondContact O-N 2.98Å; T431-T435 PolarHBondContact O-OG1 2.88Å; L432-T435 WeakPolarHBondContact O-CB 3.29Å; L432-T435 PolarHBondContact O-N 3.47Å; L432-T435 VanDerWaalsContact O-N 3.16Å; M433-T435 PolarHBondContact O-N 3.26Å; T435-K438 PolarHBondContact O-N 2.91Å; T435-N439 PolarHBondContact O-N 3.42Å |
| 436 | N | 62.7 | Low | 68 | Low | 97 Ų | 97 | 117.6 Ų | 117.6 | 52% | 0.519 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.6 | -39.3 | -179.3 | -123.8 | 7.5 | 0 | 0 | 0 | 113.1 | L432 M433 K438 N439 L440 | L432-N436 PolarHBondContact O-N 3.31Å; L432-N436 VanDerWaalsContact O-N 3.11Å; M433-N436 PolarHBondContact O-N 3.39Å; M433-N436 VanDerWaalsContact O-N 3.15Å; N436-K438 VanDerWaalsContact C-N 3.31Å; N436-K438 PolarHBondContact O-N 2.91Å; N436-N439 PolarHBondContact O-N 2.92Å; N436-L440 PolarHBondContact O-N 2.89Å; N436-L440 VanDerWaalsContact O-N 3.15Å |
| 437 | E | 68.7 | Low | 67.9 | Low | 137 Ų | 137 | 117.3 Ų | 117.3 | 64% | 0.64 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.1 | -38.9 | 175.8 | -78.9 | -174.9 | 153.3 | 0 | 0 | 112.5 | M433 N439 L440 S441 | M433-E437 PolarHBondContact O-N 3.42Å; E437-N439 VanDerWaalsContact C-N 3.33Å; E437-N439 PolarHBondContact O-N 3.32Å; E437-L440 PolarHBondContact O-N 3.49Å; E437-S441 PolarHBondContact O-N 3.15Å |
| 438 | K | 67.6 | Low | 67.8 | Low | 160 Ų | 160 | 116 Ų | 116 | 70% | 0.696 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.3 | -40.2 | 176.4 | -73.1 | -179.7 | 179.7 | 177.1 | 0 | 112 | T435 N436 S441 L442 | T435-K438 PolarHBondContact O-N 2.91Å; N436-K438 VanDerWaalsContact C-N 3.31Å; N436-K438 PolarHBondContact O-N 2.91Å; K438-S441 PolarHBondContact O-N 2.96Å; K438-L442 PolarHBondContact O-N 3.41Å |
| 439 | N | 64.4 | Low | 67.6 | Low | 86 Ų | 86 | 113 Ų | 113 | 46% | 0.46 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.5 | -41.5 | 179.9 | -69.9 | -19.7 | 0 | 0 | 0 | 112.4 | T435 N436 E437 S441 L442 I443 | T435-N439 PolarHBondContact O-N 3.42Å; N436-N439 PolarHBondContact O-N 2.92Å; E437-N439 VanDerWaalsContact C-N 3.33Å; E437-N439 PolarHBondContact O-N 3.32Å; N439-S441 VanDerWaalsContact C-N 3.31Å; N439-S441 PolarHBondContact O-N 2.89Å; N439-L442 WeakPolarHBondContact O-CB 3.48Å; N439-L442 PolarHBondContact O-N 3.17Å; N439-I443 WeakPolarHBondContact O-CG1 3.48Å; N439-I443 PolarHBondContact O-N 2.93Å |
| 440 | L | 70.2 | Confident | 67.4 | Low | 119 Ų | 119 | 112 Ų | 112 | 62% | 0.623 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.1 | -39 | 176.5 | -91.5 | 151.8 | 0 | 0 | 0 | 112.6 | N436 E437 L442 I443 K444 | N436-L440 PolarHBondContact O-N 2.89Å; N436-L440 VanDerWaalsContact O-N 3.15Å; E437-L440 PolarHBondContact O-N 3.49Å; L440-L442 VanDerWaalsContact C-N 3.31Å; L440-L442 PolarHBondContact O-N 3.24Å; L440-I443 PolarHBondContact O-N 3.33Å; L440-K444 PolarHBondContact O-N 3.47Å |
| 441 | S | 67.9 | Low | 67.1 | Low | 68 Ų | 68 | 107.1 Ų | 107.1 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.2 | -34.1 | 177.3 | -157.8 | 0 | 0 | 0 | 0 | 112.6 | E437 K438 N439 | E437-S441 PolarHBondContact O-N 3.15Å; K438-S441 PolarHBondContact O-N 2.96Å; N439-S441 VanDerWaalsContact C-N 3.31Å; N439-S441 PolarHBondContact O-N 2.89Å |
| 442 | L | 65.4 | Low | 66.7 | Low | 101 Ų | 101 | 109.5 Ų | 109.5 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.3 | -42.7 | 177.2 | -169 | 74 | 0 | 0 | 0 | 112.2 | K438 N439 L440 K444 R445 L446 | K438-L442 PolarHBondContact O-N 3.41Å; N439-L442 WeakPolarHBondContact O-CB 3.48Å; N439-L442 PolarHBondContact O-N 3.17Å; L440-L442 VanDerWaalsContact C-N 3.31Å; L440-L442 PolarHBondContact O-N 3.24Å; L442-K444 VanDerWaalsContact C-N 3.3Å; L442-K444 PolarHBondContact O-N 3.29Å; L442-R445 PolarHBondContact O-N 3.16Å; L442-L446 PolarHBondContact O-N 3.26Å |
| 443 | I | 67.3 | Low | 66.4 | Low | 94 Ų | 94 | 110.9 Ų | 110.9 | 48% | 0.482 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61 | -40.2 | -179.4 | -68.4 | 168.3 | 0 | 0 | 0 | 111.2 | N439 L440 R445 L446 Q447 | N439-I443 WeakPolarHBondContact O-CG1 3.48Å; N439-I443 PolarHBondContact O-N 2.93Å; L440-I443 PolarHBondContact O-N 3.33Å; I443-R445 PolarHBondContact O-N 3.15Å; I443-L446 PolarHBondContact O-N 2.92Å; I443-Q447 PolarHBondContact O-N 2.94Å |
| 444 | K | 71.1 | Confident | 66.2 | Low | 142 Ų | 142 | 112.3 Ų | 112.3 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.6 | -41.2 | -178.6 | -162.8 | 171.6 | -177.4 | -179.3 | 0 | 112.6 | L440 L442 L446 Q447 D448 | L440-K444 PolarHBondContact O-N 3.47Å; L442-K444 VanDerWaalsContact C-N 3.3Å; L442-K444 PolarHBondContact O-N 3.29Å; K444-L446 VanDerWaalsContact C-N 3.29Å; K444-L446 PolarHBondContact O-N 3.22Å; K444-Q447 PolarHBondContact O-N 3.26Å; K444-D448 PolarHBondContact O-N 3.04Å |
| 445 | R | 66.7 | Low | 66.1 | Low | 177 Ų | 177 | 113.9 Ų | 113.9 | 67% | 0.668 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.3 | -32.9 | 176.5 | -72.3 | -172.2 | -155 | 151.6 | 7.5 | 113.5 | L442 I443 | L442-R445 PolarHBondContact O-N 3.16Å; I443-R445 PolarHBondContact O-N 3.15Å |
| 446 | L | 65.6 | Low | 65.8 | Low | 112 Ų | 112 | 115.8 Ų | 115.8 | 59% | 0.586 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.1 | -33.8 | 178.8 | -73.9 | 168.1 | 0 | 0 | 0 | 112 | L442 I443 K444 I450 | L442-L446 PolarHBondContact O-N 3.26Å; I443-L446 PolarHBondContact O-N 2.92Å; K444-L446 VanDerWaalsContact C-N 3.29Å; K444-L446 PolarHBondContact O-N 3.22Å; L446-I450 WeakPolarHBondContact O-CG1 3.47Å; L446-I450 PolarHBondContact O-N 3.37Å |
| 447 | Q | 68.8 | Low | 65.7 | Low | 126 Ų | 126 | 113.2 Ų | 113.2 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.9 | -39.1 | 177.9 | -72.6 | 178.3 | -30.5 | 0 | 0 | 112.2 | I443 K444 A449 I450 A451 | I443-Q447 PolarHBondContact O-N 2.94Å; K444-Q447 PolarHBondContact O-N 3.26Å; Q447-A449 VanDerWaalsContact C-N 3.32Å; Q447-A449 PolarHBondContact O-N 2.88Å; Q447-I450 PolarHBondContact O-N 2.91Å; Q447-A451 PolarHBondContact O-N 3.48Å |
| 448 | D | 69.3 | Low | 65.2 | Low | 106 Ų | 106 | 112.7 Ų | 112.7 | 57% | 0.567 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.7 | -37.6 | 179.6 | -64.6 | -24.4 | 0 | 0 | 0 | 111.8 | K444 I450 A451 | K444-D448 PolarHBondContact O-N 3.04Å; D448-I450 PolarHBondContact O-N 2.87Å; D448-A451 PolarHBondContact O-N 2.85Å |
| 449 | A | 64.3 | Low | 64.6 | Low | 60 Ų | 60 | 110.4 Ų | 110.4 | 50% | 0.496 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.2 | -35 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q447 | Q447-A449 VanDerWaalsContact C-N 3.32Å; Q447-A449 PolarHBondContact O-N 2.88Å |
| 450 | I | 65.6 | Low | 64.1 | Low | 113 Ų | 113 | 109.1 Ų | 109.1 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.6 | -31.9 | -178.7 | -67.2 | 168.9 | 0 | 0 | 0 | 111.6 | L446 Q447 D448 | L446-I450 WeakPolarHBondContact O-CG1 3.47Å; L446-I450 PolarHBondContact O-N 3.37Å; Q447-I450 PolarHBondContact O-N 2.91Å; D448-I450 PolarHBondContact O-N 2.87Å |
| 451 | A | 64.4 | Low | 63.3 | Low | 59 Ų | 59 | 110 Ų | 110 | 49% | 0.488 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68 | -35.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q447 D448 K454 | Q447-A451 PolarHBondContact O-N 3.48Å; D448-A451 PolarHBondContact O-N 2.85Å; A451-K454 PolarHBondContact O-N 3.28Å |
| 452 | E | 64.6 | Low | 62.5 | Low | 143 Ų | 143 | 113.8 Ų | 113.8 | 67% | 0.668 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.6 | -35 | -177.8 | -157 | 170.5 | -154.8 | 0 | 0 | 112.3 | K454 | E452-K454 PolarHBondContact O-N 3.39Å |
| 453 | E | 60.7 | Low | 61.7 | Low | 151 Ų | 151 | 117.4 Ų | 117.4 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.4 | -33.5 | 177.8 | -161.8 | 174.8 | -160.8 | 0 | 0 | 112.5 | I455 N456 | E453-I455 PolarHBondContact O-N 2.93Å; E453-N456 PolarHBondContact O-N 3.11Å |
| 454 | K | 63.1 | Low | 61 | Low | 154 Ų | 154 | 119.8 Ų | 119.8 | 67% | 0.67 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67 | -37 | -178.1 | -128.7 | 180 | -178.1 | -174.3 | 0 | 113.3 | A451 E452 N456 G457 | A451-K454 PolarHBondContact O-N 3.28Å; E452-K454 PolarHBondContact O-N 3.39Å; K454-N456 VanDerWaalsContact C-N 3.35Å; K454-N456 PolarHBondContact O-N 3.46Å; K454-G457 PolarHBondContact O-N 2.97Å |
| 455 | I | 63.3 | Low | 59.9 | Low | 110 Ų | 110 | 121.4 Ų | 121.4 | 56% | 0.564 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.5 | -35.2 | -178.5 | -64.7 | 171.8 | 0 | 0 | 0 | 111.4 | E453 | E453-I455 PolarHBondContact O-N 2.93Å |
| 456 | N | 61.1 | Low | 58.7 | Low | 117 Ų | 117 | 119.4 Ų | 119.4 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.5 | -31.1 | 179 | -74.1 | -28.6 | 0 | 0 | 0 | 112.7 | E453 K454 | E453-N456 PolarHBondContact O-N 3.11Å; K454-N456 VanDerWaalsContact C-N 3.35Å; K454-N456 PolarHBondContact O-N 3.46Å |
| 457 | G | 60.2 | Low | 57.3 | Low | 42 Ų | 42 | 122 Ų | 122 | 43% | 0.433 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K454 N459 A460 E461 | K454-G457 PolarHBondContact O-N 2.97Å; G457-N459 PolarHBondContact O-N 3.44Å; G457-A460 PolarHBondContact O-N 3.4Å; G457-E461 PolarHBondContact O-N 2.88Å |
| 458 | E | 57.7 | Low | 56 | Low | 126 Ų | 126 | 121.2 Ų | 121.2 | 59% | 0.589 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68 | -32.1 | -175.1 | -71.8 | 177.4 | 172.5 | 0 | 0 | 112.9 | A460 E461 Q462 | E458-A460 VanDerWaalsContact C-N 3.34Å; E458-A460 PolarHBondContact O-N 3.27Å; E458-E461 PolarHBondContact O-N 2.87Å; E458-Q462 PolarHBondContact O-N 3Å |
| 459 | N | 55 | Low | 54.7 | Low | 112 Ų | 112 | 125.7 Ų | 125.7 | 60% | 0.599 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.2 | -31.5 | 175.1 | -83.9 | -23.7 | 0 | 0 | 0 | 113.3 | G457 | G457-N459 PolarHBondContact O-N 3.44Å |
| 460 | A | 53 | Low | 53.6 | Low | 60 Ų | 60 | 131 Ų | 131 | 50% | 0.496 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -76.4 | -36.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | G457 E458 Q462 M463 | G457-A460 PolarHBondContact O-N 3.4Å; E458-A460 VanDerWaalsContact C-N 3.34Å; E458-A460 PolarHBondContact O-N 3.27Å; A460-Q462 VanDerWaalsContact C-N 3.34Å; A460-Q462 PolarHBondContact O-N 2.99Å; A460-M463 PolarHBondContact O-N 3.39Å |
| 461 | E | 54.6 | Low | 52.9 | Low | 136 Ų | 136 | 132.1 Ų | 132.1 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.1 | -30.9 | 178.5 | -105.3 | -174.8 | 162.4 | 0 | 0 | 113 | G457 E458 M463 L464 K465 | G457-E461 PolarHBondContact O-N 2.88Å; E458-E461 PolarHBondContact O-N 2.87Å; E461-M463 VanDerWaalsContact C-N 3.33Å; E461-M463 PolarHBondContact O-N 3.44Å; E461-L464 PolarHBondContact O-N 3.03Å; E461-K465 PolarHBondContact O-N 3.33Å |
| 462 | Q | 51 | Low | 52.5 | Low | 149 Ų | 149 | 134.3 Ų | 134.3 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72.3 | -25.3 | -179.3 | -151.6 | 163.4 | 20.1 | 0 | 0 | 113.1 | E458 A460 | E458-Q462 PolarHBondContact O-N 3Å; A460-Q462 VanDerWaalsContact C-N 3.34Å; A460-Q462 PolarHBondContact O-N 2.99Å |
| 463 | M | 49.2 | Very low | 51.7 | Low | 176 Ų | 176 | 135.5 Ų | 135.5 | 87% | 0.867 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -77.2 | -30 | 172.3 | -77.9 | -149.2 | 149.9 | 0 | 0 | 113.4 | A460 E461 | A460-M463 PolarHBondContact O-N 3.39Å; E461-M463 VanDerWaalsContact C-N 3.33Å; E461-M463 PolarHBondContact O-N 3.44Å |
| 464 | L | 52.2 | Low | 51 | Low | 145 Ų | 145 | 133.5 Ų | 133.5 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -83.6 | -18.8 | -176.7 | -81.7 | 162.8 | 0 | 0 | 0 | 113.8 | E461 N466 | E461-L464 PolarHBondContact O-N 3.03Å; L464-N466 VanDerWaalsContact C-N 3.3Å; L464-N466 PolarHBondContact O-N 3.02Å |
| 465 | K | 47.6 | Very low | 50.6 | Low | 175 Ų | 175 | 135.5 Ų | 135.5 | 76% | 0.761 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -2.2 | -170.2 | -135.8 | 166.7 | -172.7 | 167.1 | 0 | 116 | E461 | E461-K465 PolarHBondContact O-N 3.33Š|
| 466 | N | 40.7 | Very low | 50 | Low | 136 Ų | 136 | 136.7 Ų | 136.7 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 6.7 | -172.6 | -80.6 | -8.5 | 0 | 0 | 0 | 117.1 | L464 | L464-N466 VanDerWaalsContact C-N 3.3Å; L464-N466 PolarHBondContact O-N 3.02Å |
| 467 | N | 37.5 | Very low | 49.6 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 88% | 0.882 | 69% | 0.689 | S | S | * | * | trans | -151.2 | 95.8 | 170.8 | -84.2 | -42.1 | 0 | 0 | 0 | 114.1 | ||||
| 468 | S | 41.4 | Very low | 49.4 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -97.2 | 139.9 | 151.7 | 63.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 469 | K | 42 | Very low | 49.2 | Very low | 199 Ų | 199 | 135 Ų | 135 | 87% | 0.865 | 69% | 0.694 | S | S | * | * | cis | -173.2 | 108.2 | 39.5 | -152.6 | -177.4 | -165.8 | -179.1 | 0 | 107.2 | ||||
| 470 | E | 41.7 | Very low | 49 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | 179.4 | 140.2 | 139.2 | -102.8 | 177.3 | -174.7 | 0 | 0 | 108.4 | L474 | E470-L474 VanDerWaalsContact O-CD1 3.23Å; E470-L474 WeakPolarHBondContact O-CD1 3.49Å | ||
| 471 | N | 50.1 | Low | 48.9 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | trans | -96.4 | 132 | -151.5 | -131.5 | 13.3 | 0 | 0 | 0 | 112.3 | E473 | N471-E473 PolarHBondContact O-N 3Š| ||
| 472 | D | 55.6 | Low | 48.7 | Very low | 104 Ų | 104 | 132 Ų | 132 | 56% | 0.556 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 69.9 | -18.8 | 146.1 | -59.3 | -35.5 | 0 | 0 | 0 | 122.1 | L474 | D472-L474 VanDerWaalsContact C-N 3.28Š|
| 473 | E | 47.8 | Very low | 49 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -14 | 161.3 | -76.4 | -177 | 174 | 0 | 0 | 112.7 | N471 R475 D476 L477 | N471-E473 PolarHBondContact O-N 3Å; E473-R475 PolarHBondContact O-N 3.39Å; E473-D476 PolarHBondContact O-N 3.38Å; E473-L477 PolarHBondContact O-N 2.98Å; E473-L477 VanDerWaalsContact O-N 3.15Å |
| 474 | L | 46.1 | Very low | 49.4 | Very low | 109 Ų | 109 | 130 Ų | 130 | 57% | 0.571 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -56.8 | -14.6 | 167 | -103.9 | 154.2 | 0 | 0 | 0 | 113 | E470 D472 V478 | E470-L474 VanDerWaalsContact O-CD1 3.23Å; E470-L474 WeakPolarHBondContact O-CD1 3.49Å; D472-L474 VanDerWaalsContact C-N 3.28Å; L474-V478 WeakPolarHBondContact O-CB 3.41Å; L474-V478 WeakPolarHBondContact O-CG2 3.39Å; L474-V478 PolarHBondContact O-N 2.74Å |
| 475 | R | 54.2 | Low | 49.7 | Very low | 196 Ų | 196 | 128.3 Ų | 128.3 | 74% | 0.74 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -84.5 | -28.1 | 179.6 | -152.6 | 177.4 | -72.4 | -130.8 | 2.2 | 114.3 | E473 | E473-R475 PolarHBondContact O-N 3.39Å |
| 476 | D | 52.4 | Low | 50.1 | Low | 136 Ų | 136 | 125.8 Ų | 125.8 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -96.3 | -23.9 | 171.3 | -87.6 | 0.1 | 0 | 0 | 0 | 112.3 | E473 V478 A479 | E473-D476 PolarHBondContact O-N 3.38Å; D476-V478 PolarHBondContact O-N 3.22Å; D476-A479 WeakPolarHBondContact O-CA 3.49Å; D476-A479 VanDerWaalsContact O-CB 3.24Å; D476-A479 WeakPolarHBondContact O-CB 3.12Å; D476-A479 PolarHBondContact O-N 3.46Å |
| 477 | L | 52.4 | Low | 50.6 | Low | 91 Ų | 91 | 125.8 Ų | 125.8 | 48% | 0.476 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68 | -23.7 | 169.8 | -132.5 | 132 | 0 | 0 | 0 | 111.7 | E473 A479 Q480 I481 | E473-L477 PolarHBondContact O-N 2.98Å; E473-L477 VanDerWaalsContact O-N 3.15Å; L477-A479 PolarHBondContact O-N 3.42Å; L477-Q480 HydrophobicContact CD2-CB 4.39Å; L477-Q480 HydrophobicContact CG-CB 4.4Å; L477-Q480 HydrophobicContact CG-CG 4.32Å; L477-Q480 CarbonylContact O-C 3.57Å; L477-Q480 WeakPolarHBondContact O-CA 3.38Å; L477-Q480 VanDerWaalsContact O-CB 3.26Å; L477-Q480 WeakPolarHBondContact O-CB 3.48Å; L477-Q480 PolarHBondContact O-N 3.31Å; L477-I481 PolarHBondContact O-N 3.02Å |
| 478 | V | 56.3 | Low | 51.8 | Low | 83 Ų | 83 | 122.1 Ų | 122.1 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.5 | -11.1 | 165.4 | 163.2 | 0 | 0 | 0 | 0 | 112.9 | L474 D476 I481 | L474-V478 WeakPolarHBondContact O-CB 3.41Å; L474-V478 WeakPolarHBondContact O-CG2 3.39Å; L474-V478 PolarHBondContact O-N 2.74Å; D476-V478 PolarHBondContact O-N 3.22Å; V478-I481 HydrophobicContact CB-CD1 4.26Å; V478-I481 HydrophobicContact CG2-CD1 3.76Å |
| 479 | A | 53.2 | Low | 52.5 | Low | 74 Ų | 74 | 122.2 Ų | 122.2 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -87.6 | -25.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D476 L477 I481 G482 | D476-A479 WeakPolarHBondContact O-CA 3.49Å; D476-A479 VanDerWaalsContact O-CB 3.24Å; D476-A479 WeakPolarHBondContact O-CB 3.12Å; D476-A479 PolarHBondContact O-N 3.46Å; L477-A479 PolarHBondContact O-N 3.42Å; A479-I481 PolarHBondContact O-N 3.1Å; A479-G482 PolarHBondContact O-N 3.34Å |
| 480 | Q | 50.8 | Low | 53.2 | Low | 116 Ų | 116 | 118 Ų | 118 | 54% | 0.542 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.4 | -13 | 166.9 | -63.9 | -177.6 | 12.6 | 0 | 0 | 113 | L477 G482 D483 K484 | L477-Q480 HydrophobicContact CD2-CB 4.39Å; L477-Q480 HydrophobicContact CG-CB 4.4Å; L477-Q480 HydrophobicContact CG-CG 4.32Å; L477-Q480 CarbonylContact O-C 3.57Å; L477-Q480 WeakPolarHBondContact O-CA 3.38Å; L477-Q480 VanDerWaalsContact O-CB 3.26Å; L477-Q480 WeakPolarHBondContact O-CB 3.48Å; L477-Q480 PolarHBondContact O-N 3.31Å; Q480-G482 VanDerWaalsContact C-N 3.26Å; Q480-G482 PolarHBondContact O-N 3.1Å; Q480-D483 PolarHBondContact O-N 3.38Å; Q480-K484 PolarHBondContact O-N 3.44Å |
| 481 | I | 50.3 | Low | 54 | Low | 102 Ų | 102 | 115.3 Ų | 115.3 | 52% | 0.523 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72 | -15.7 | 171.9 | -65.5 | 178.8 | 0 | 0 | 0 | 112.4 | L477 V478 A479 N485 | L477-I481 PolarHBondContact O-N 3.02Å; V478-I481 HydrophobicContact CB-CD1 4.26Å; V478-I481 HydrophobicContact CG2-CD1 3.76Å; A479-I481 PolarHBondContact O-N 3.1Å; I481-N485 PolarHBondContact O-ND2 3.1Å |
| 482 | G | 49.9 | Very low | 54.4 | Low | 27 Ų | 27 | 116 Ų | 116 | 28% | 0.278 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.8 | -73.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | A479 Q480 K484 N485 | A479-G482 PolarHBondContact O-N 3.34Å; Q480-G482 VanDerWaalsContact C-N 3.26Å; Q480-G482 PolarHBondContact O-N 3.1Å; G482-K484 VanDerWaalsContact C-N 3.29Å; G482-K484 PolarHBondContact O-N 2.97Å; G482-N485 WeakPolarHBondContact O-CB 3.43Å; G482-N485 PolarHBondContact O-N 2.92Å |
| 483 | D | 56.9 | Low | 54.6 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 76% | 0.759 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.3 | -28.8 | -156.7 | 26.4 | -93.3 | 0 | 0 | 0 | 115.1 | Q480 L486 | Q480-D483 PolarHBondContact O-N 3.38Å; D483-L486 WeakPolarHBondContact O-CB 3.47Å; D483-L486 PolarHBondContact O-N 3.32Å; D483-L486 VanDerWaalsContact O-N 3.16Å |
| 484 | K | 58.5 | Low | 55.2 | Low | 142 Ų | 142 | 110.7 Ų | 110.7 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -2.7 | 176.4 | -88.3 | -176.8 | 178.1 | 171.3 | 0 | 114.4 | Q480 G482 L486 Y487 V488 | Q480-K484 PolarHBondContact O-N 3.44Å; G482-K484 VanDerWaalsContact C-N 3.29Å; G482-K484 PolarHBondContact O-N 2.97Å; K484-L486 PolarHBondContact O-N 3.37Å; K484-L486 VanDerWaalsContact O-N 3.15Å; K484-Y487 WeakPolarHBondContact O-CA 3.36Å; K484-Y487 WeakPolarHBondContact O-CB 3.37Å; K484-Y487 PolarHBondContact O-N 3.17Å; K484-V488 PolarHBondContact O-N 3.35Å |
| 485 | N | 58.1 | Low | 55.6 | Low | 109 Ų | 109 | 110.4 Ų | 110.4 | 58% | 0.583 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.7 | -12.9 | 157.7 | -74.1 | -37.8 | 0 | 0 | 0 | 111.5 | I481 G482 V488 | I481-N485 PolarHBondContact O-ND2 3.1Å; G482-N485 WeakPolarHBondContact O-CB 3.43Å; G482-N485 PolarHBondContact O-N 2.92Å; N485-V488 WeakPolarHBondContact O-CB 3.32Å |
| 486 | L | 55.5 | Low | 56 | Low | 122 Ų | 122 | 105.4 Ų | 105.4 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -73.7 | -29.7 | 161.8 | -152 | 86.1 | 0 | 0 | 0 | 113.4 | D483 K484 V488 L489 E490 | D483-L486 WeakPolarHBondContact O-CB 3.47Å; D483-L486 PolarHBondContact O-N 3.32Å; D483-L486 VanDerWaalsContact O-N 3.16Å; K484-L486 PolarHBondContact O-N 3.37Å; K484-L486 VanDerWaalsContact O-N 3.15Å; L486-V488 VanDerWaalsContact C-N 3.28Å; L486-V488 PolarHBondContact O-N 3.3Å; L486-L489 WeakPolarHBondContact O-CA 3.45Å; L486-L489 WeakPolarHBondContact O-CB 3.48Å; L486-L489 PolarHBondContact O-N 2.94Å; L486-E490 PolarHBondContact O-N 2.83Å |
| 487 | Y | 52.8 | Low | 56.4 | Low | 137 Ų | 137 | 106 Ų | 106 | 54% | 0.537 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.2 | -29 | 172.2 | 179.1 | -92.6 | 0 | 0 | 0 | 111.7 | K484 L489 E490 M491 | K484-Y487 WeakPolarHBondContact O-CA 3.36Å; K484-Y487 WeakPolarHBondContact O-CB 3.37Å; K484-Y487 PolarHBondContact O-N 3.17Å; Y487-L489 PolarHBondContact O-N 3.3Å; Y487-E490 WeakPolarHBondContact CD2-OE2 3.43Å; Y487-E490 WeakPolarHBondContact O-CA 3.35Å; Y487-E490 WeakPolarHBondContact O-CB 3.27Å; Y487-E490 PolarHBondContact O-N 3.08Å; Y487-E490 VanDerWaalsContact O-N 3.09Å; Y487-M491 PolarHBondContact O-N 3.45Å |
| 488 | V | 61.4 | Low | 56.8 | Low | 88 Ų | 88 | 108.3 Ų | 108.3 | 53% | 0.533 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.8 | -31.3 | 169 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | K484 N485 L486 M491 F492 | K484-V488 PolarHBondContact O-N 3.35Å; N485-V488 WeakPolarHBondContact O-CB 3.32Å; L486-V488 VanDerWaalsContact C-N 3.28Å; L486-V488 PolarHBondContact O-N 3.3Å; V488-M491 VanDerWaalsContact O-CB 3.27Å; V488-M491 WeakPolarHBondContact O-CB 3.46Å; V488-M491 PolarHBondContact O-N 2.88Å; V488-F492 PolarHBondContact O-N 3.31Å |
| 489 | L | 57.2 | Low | 56.9 | Low | 112 Ų | 112 | 111.1 Ų | 111.1 | 59% | 0.586 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.4 | -36.4 | 170.6 | -155.5 | 74.6 | 0 | 0 | 0 | 112.2 | L486 Y487 M491 F492 N493 | L486-L489 WeakPolarHBondContact O-CA 3.45Å; L486-L489 WeakPolarHBondContact O-CB 3.48Å; L486-L489 PolarHBondContact O-N 2.94Å; Y487-L489 PolarHBondContact O-N 3.3Å; L489-M491 VanDerWaalsContact C-N 3.28Å; L489-M491 PolarHBondContact O-N 2.76Å; L489-F492 WeakPolarHBondContact O-CB 3.34Å; L489-F492 PolarHBondContact O-N 3.14Å; L489-F492 VanDerWaalsContact O-N 3.12Å; L489-N493 PolarHBondContact O-N 3.47Å |
| 490 | E | 55.5 | Low | 57.5 | Low | 111 Ų | 111 | 111.5 Ų | 111.5 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -34.1 | 170 | -74.1 | -172.2 | 132.9 | 0 | 0 | 112.3 | L486 Y487 F492 N493 T494 | L486-E490 PolarHBondContact O-N 2.83Å; Y487-E490 WeakPolarHBondContact CD2-OE2 3.43Å; Y487-E490 WeakPolarHBondContact O-CA 3.35Å; Y487-E490 WeakPolarHBondContact O-CB 3.27Å; Y487-E490 PolarHBondContact O-N 3.08Å; Y487-E490 VanDerWaalsContact O-N 3.09Å; E490-F492 VanDerWaalsContact C-N 3.29Å; E490-F492 PolarHBondContact O-N 2.86Å; E490-N493 WeakPolarHBondContact O-CB 3.47Å; E490-N493 PolarHBondContact O-N 3.12Å; E490-T494 PolarHBondContact O-N 3.27Å; E490-T494 PolarHBondContact O-OG1 3.28Å |
| 491 | M | 60.1 | Low | 58.1 | Low | 115 Ų | 115 | 111 Ų | 111 | 57% | 0.567 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.4 | -35.1 | 171.3 | -108.7 | -141.9 | 54.3 | 0 | 0 | 112.3 | Y487 V488 L489 T494 L495 | Y487-M491 PolarHBondContact O-N 3.45Å; V488-M491 VanDerWaalsContact O-CB 3.27Å; V488-M491 WeakPolarHBondContact O-CB 3.46Å; V488-M491 PolarHBondContact O-N 2.88Å; L489-M491 VanDerWaalsContact C-N 3.28Å; L489-M491 PolarHBondContact O-N 2.76Å; M491-T494 WeakPolarHBondContact O-CB 3.43Å; M491-T494 PolarHBondContact O-N 3.12Å; M491-L495 PolarHBondContact O-N 3.1Å |
| 492 | F | 56.9 | Low | 58.4 | Low | 151 Ų | 151 | 110.9 Ų | 110.9 | 66% | 0.662 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.3 | -39.8 | 173.4 | -152.1 | -90.6 | 0 | 0 | 0 | 112.1 | V488 L489 E490 T494 L495 N496 | V488-F492 PolarHBondContact O-N 3.31Å; L489-F492 WeakPolarHBondContact O-CB 3.34Å; L489-F492 PolarHBondContact O-N 3.14Å; L489-F492 VanDerWaalsContact O-N 3.12Å; E490-F492 VanDerWaalsContact C-N 3.29Å; E490-F492 PolarHBondContact O-N 2.86Å; F492-T494 PolarHBondContact O-N 2.86Å; F492-L495 WeakPolarHBondContact O-CA 3.42Å; F492-L495 VanDerWaalsContact O-CB 3.24Å; F492-L495 WeakPolarHBondContact O-CB 3.41Å; F492-L495 PolarHBondContact O-N 3.2Å; F492-L495 VanDerWaalsContact O-N 3.1Å; F492-N496 PolarHBondContact O-N 2.85Å |
| 493 | N | 60.9 | Low | 58.7 | Low | 92 Ų | 92 | 115.3 Ų | 115.3 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62 | -32.1 | 169.7 | -81.6 | -29 | 0 | 0 | 0 | 112.6 | L489 E490 L495 N496 K497 | L489-N493 PolarHBondContact O-N 3.47Å; E490-N493 WeakPolarHBondContact O-CB 3.47Å; E490-N493 PolarHBondContact O-N 3.12Å; N493-L495 VanDerWaalsContact C-N 3.34Å; N493-N496 WeakPolarHBondContact O-CB 3.43Å; N493-N496 PolarHBondContact O-N 3.38Å; N493-K497 PolarHBondContact O-N 3.09Å |
| 494 | T | 59.6 | Low | 59 | Low | 69 Ų | 69 | 112.7 Ų | 112.7 | 42% | 0.423 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69 | -34.5 | 174.5 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | E490 M491 F492 N496 K497 K498 | E490-T494 PolarHBondContact O-N 3.27Å; E490-T494 PolarHBondContact O-OG1 3.28Å; M491-T494 WeakPolarHBondContact O-CB 3.43Å; M491-T494 PolarHBondContact O-N 3.12Å; F492-T494 PolarHBondContact O-N 2.86Å; T494-N496 VanDerWaalsContact C-N 3.35Å; T494-K497 PolarHBondContact O-N 3.21Å; T494-K498 PolarHBondContact O-N 2.92Å |
| 495 | L | 55.7 | Low | 59.1 | Low | 104 Ų | 104 | 111.4 Ų | 111.4 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 170.3 | -147.9 | 84.8 | 0 | 0 | 0 | 111.5 | M491 F492 N493 K497 K498 F499 | M491-L495 PolarHBondContact O-N 3.1Å; F492-L495 WeakPolarHBondContact O-CA 3.42Å; F492-L495 VanDerWaalsContact O-CB 3.24Å; F492-L495 WeakPolarHBondContact O-CB 3.41Å; F492-L495 PolarHBondContact O-N 3.2Å; F492-L495 VanDerWaalsContact O-N 3.1Å; N493-L495 VanDerWaalsContact C-N 3.34Å; L495-K497 VanDerWaalsContact C-N 3.35Å; L495-K497 PolarHBondContact O-N 3.17Å; L495-K498 WeakPolarHBondContact O-CB 3.35Å; L495-K498 PolarHBondContact O-N 3.19Å; L495-K498 VanDerWaalsContact O-N 3.09Å; L495-F499 PolarHBondContact O-N 2.92Å; L495-F499 VanDerWaalsContact O-N 3.13Å |
| 496 | N | 61.5 | Low | 58.8 | Low | 91 Ų | 91 | 110 Ų | 110 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65 | -36.4 | 176.1 | -160.1 | 25.3 | 0 | 0 | 0 | 112.3 | F492 N493 T494 K498 F499 I500 | F492-N496 PolarHBondContact O-N 2.85Å; N493-N496 WeakPolarHBondContact O-CB 3.43Å; N493-N496 PolarHBondContact O-N 3.38Å; T494-N496 VanDerWaalsContact C-N 3.35Å; N496-K498 VanDerWaalsContact C-N 3.3Å; N496-K498 PolarHBondContact O-N 3.47Å; N496-F499 WeakPolarHBondContact O-CB 3.46Å; N496-F499 PolarHBondContact O-N 2.86Å; N496-F499 VanDerWaalsContact O-N 3.09Å; N496-I500 PolarHBondContact O-N 2.95Å |
| 497 | K | 61.5 | Low | 59.1 | Low | 149 Ų | 149 | 107 Ų | 107 | 65% | 0.648 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.5 | -36.4 | 170.4 | -71.7 | 176.6 | -178.5 | 175 | 0 | 112.5 | N493 T494 L495 F499 I500 L501 | N493-K497 PolarHBondContact O-N 3.09Å; T494-K497 PolarHBondContact O-N 3.21Å; L495-K497 VanDerWaalsContact C-N 3.35Å; L495-K497 PolarHBondContact O-N 3.17Å; K497-F499 VanDerWaalsContact C-N 3.28Å; K497-F499 PolarHBondContact O-N 3.36Å; K497-I500 PolarHBondContact O-N 3.11Å; K497-L501 PolarHBondContact O-N 3.41Å |
| 498 | K | 61.2 | Low | 59.3 | Low | 138 Ų | 138 | 103.8 Ų | 103.8 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.8 | -29.5 | 173.7 | -69.8 | -178.3 | 177.1 | -179 | 0 | 112.2 | T494 L495 N496 L501 L502 | T494-K498 PolarHBondContact O-N 2.92Å; L495-K498 WeakPolarHBondContact O-CB 3.35Å; L495-K498 PolarHBondContact O-N 3.19Å; L495-K498 VanDerWaalsContact O-N 3.09Å; N496-K498 VanDerWaalsContact C-N 3.3Å; N496-K498 PolarHBondContact O-N 3.47Å; K498-L501 WeakPolarHBondContact O-CB 3.39Å; K498-L501 PolarHBondContact O-N 2.88Å; K498-L502 PolarHBondContact O-N 3.01Å |
| 499 | F | 58.2 | Low | 58.9 | Low | 143 Ų | 143 | 105 Ų | 105 | 63% | 0.627 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.2 | -41.3 | 174.2 | -157.8 | -94 | 0 | 0 | 0 | 112.2 | L495 N496 K497 L501 L502 E503 | L495-F499 PolarHBondContact O-N 2.92Å; L495-F499 VanDerWaalsContact O-N 3.13Å; N496-F499 WeakPolarHBondContact O-CB 3.46Å; N496-F499 PolarHBondContact O-N 2.86Å; N496-F499 VanDerWaalsContact O-N 3.09Å; K497-F499 VanDerWaalsContact C-N 3.28Å; K497-F499 PolarHBondContact O-N 3.36Å; F499-L501 PolarHBondContact O-N 3.47Å; F499-L502 WeakPolarHBondContact O-CB 3.36Å; F499-L502 PolarHBondContact O-N 3.16Å; F499-L502 VanDerWaalsContact O-N 3.12Å; F499-E503 PolarHBondContact O-N 3.49Å; F499-E503 VanDerWaalsContact O-N 3.12Å |
| 500 | I | 64.9 | Low | 59 | Low | 82 Ų | 82 | 108.2 Ų | 108.2 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -33.5 | 171.9 | -64.3 | 169.4 | 0 | 0 | 0 | 111.3 | N496 K497 L502 E503 N504 | N496-I500 PolarHBondContact O-N 2.95Å; K497-I500 PolarHBondContact O-N 3.11Å; I500-L502 VanDerWaalsContact C-N 3.34Å; I500-L502 PolarHBondContact O-N 3.18Å; I500-E503 PolarHBondContact O-N 3.5Å; I500-N504 PolarHBondContact O-N 3.01Å; I500-N504 PolarHBondContact O-ND2 2.9Å |
| 501 | L | 62.9 | Low | 59.2 | Low | 105 Ų | 105 | 105.9 Ų | 105.9 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 174 | -166.2 | 77.2 | 0 | 0 | 0 | 112 | K497 K498 F499 N504 Q505 | K497-L501 PolarHBondContact O-N 3.41Å; K498-L501 WeakPolarHBondContact O-CB 3.39Å; K498-L501 PolarHBondContact O-N 2.88Å; F499-L501 PolarHBondContact O-N 3.47Å; L501-N504 PolarHBondContact O-N 2.92Å; L501-Q505 WeakPolarHBondContact O-CG 3.27Å; L501-Q505 PolarHBondContact O-N 3.46Å |
| 502 | L | 56.4 | Low | 58.8 | Low | 100 Ų | 100 | 106.6 Ų | 106.6 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 173.8 | -83.1 | 150.1 | 0 | 0 | 0 | 111.9 | K498 F499 I500 Q505 T506 | K498-L502 PolarHBondContact O-N 3.01Å; F499-L502 WeakPolarHBondContact O-CB 3.36Å; F499-L502 PolarHBondContact O-N 3.16Å; F499-L502 VanDerWaalsContact O-N 3.12Å; I500-L502 VanDerWaalsContact C-N 3.34Å; I500-L502 PolarHBondContact O-N 3.18Å; L502-Q505 PolarHBondContact O-N 3.26Å; L502-T506 PolarHBondContact O-N 3.39Å; L502-T506 PolarHBondContact O-OG1 2.87Å |
| 503 | E | 56.1 | Low | 58.7 | Low | 120 Ų | 120 | 106.6 Ų | 106.6 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.4 | -40.3 | 175.1 | -168.3 | 172.4 | -162.1 | 0 | 0 | 112.1 | F499 I500 Q505 T506 T507 | F499-E503 PolarHBondContact O-N 3.49Å; F499-E503 VanDerWaalsContact O-N 3.12Å; I500-E503 PolarHBondContact O-N 3.5Å; E503-Q505 VanDerWaalsContact C-N 3.34Å; E503-Q505 PolarHBondContact O-N 2.92Å; E503-T506 WeakPolarHBondContact O-CA 3.36Å; E503-T506 WeakPolarHBondContact O-CB 3.5Å; E503-T506 PolarHBondContact O-N 3.33Å; E503-T507 PolarHBondContact O-N 2.79Å; E503-T507 VanDerWaalsContact O-N 3.08Å |
| 504 | N | 64.6 | Low | 58.7 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.9 | -32.1 | 174 | -74.6 | -29.1 | 0 | 0 | 0 | 113.1 | I500 L501 T506 T507 T508 | I500-N504 PolarHBondContact O-N 3.01Å; I500-N504 PolarHBondContact O-ND2 2.9Å; L501-N504 PolarHBondContact O-N 2.92Å; N504-T506 PolarHBondContact O-N 3.49Å; N504-T507 WeakPolarHBondContact CA-OG1 3.33Å; N504-T507 PolarHBondContact O-N 3.47Å; N504-T507 PolarHBondContact O-OG1 2.85Å; N504-T508 WeakPolarHBondContact O-CB 3.47Å; N504-T508 PolarHBondContact O-N 3.45Å; N504-T508 PolarHBondContact O-OG1 3.02Å |
| 505 | Q | 61 | Low | 58.3 | Low | 115 Ų | 115 | 110 Ų | 110 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64 | -31.2 | 169.8 | -74.1 | 176.6 | -19.9 | 0 | 0 | 111.5 | L501 L502 E503 L509 | L501-Q505 WeakPolarHBondContact O-CG 3.27Å; L501-Q505 PolarHBondContact O-N 3.46Å; L502-Q505 PolarHBondContact O-N 3.26Å; E503-Q505 VanDerWaalsContact C-N 3.34Å; E503-Q505 PolarHBondContact O-N 2.92Å; Q505-L509 PolarHBondContact O-N 3.19Å |
| 506 | T | 51.7 | Low | 58.1 | Low | 79 Ų | 79 | 112.2 Ų | 112.2 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.2 | -36.7 | 176.7 | -44 | 0 | 0 | 0 | 0 | 112.6 | L502 E503 N504 R510 | L502-T506 PolarHBondContact O-N 3.39Å; L502-T506 PolarHBondContact O-OG1 2.87Å; E503-T506 WeakPolarHBondContact O-CA 3.36Å; E503-T506 WeakPolarHBondContact O-CB 3.5Å; E503-T506 PolarHBondContact O-N 3.33Å; N504-T506 PolarHBondContact O-N 3.49Å; T506-R510 PolarHBondContact O-N 2.85Å |
| 507 | T | 61.7 | Low | 57.7 | Low | 61 Ų | 61 | 112.2 Ų | 112.2 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -75.5 | -34.2 | 176.3 | 57.9 | 0 | 0 | 0 | 0 | 112.7 | E503 N504 L509 R510 S511 | E503-T507 PolarHBondContact O-N 2.79Å; E503-T507 VanDerWaalsContact O-N 3.08Å; N504-T507 WeakPolarHBondContact CA-OG1 3.33Å; N504-T507 PolarHBondContact O-N 3.47Å; N504-T507 PolarHBondContact O-OG1 2.85Å; T507-L509 VanDerWaalsContact C-N 3.34Å; T507-R510 WeakPolarHBondContact O-CB 3.43Å; T507-R510 PolarHBondContact O-N 3.49Å; T507-R510 VanDerWaalsContact O-N 3.16Å; T507-S511 PolarHBondContact O-N 2.81Å |
| 508 | T | 55.3 | Low | 57.7 | Low | 68 Ų | 68 | 110.1 Ų | 110.1 | 42% | 0.417 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 173.6 | -51 | 0 | 0 | 0 | 0 | 110.4 | N504 R510 S511 H512 | N504-T508 WeakPolarHBondContact O-CB 3.47Å; N504-T508 PolarHBondContact O-N 3.45Å; N504-T508 PolarHBondContact O-OG1 3.02Å; T508-R510 VanDerWaalsContact C-N 3.31Å; T508-R510 PolarHBondContact O-N 3.13Å; T508-S511 PolarHBondContact O-N 2.94Å; T508-S511 PolarHBondContact O-OG 3.42Å; T508-H512 PolarHBondContact O-CD2 3.42Å; T508-H512 PolarHBondContact O-N 3.36Å; T508-H512 VanDerWaalsContact O-N 3.08Å |
| 509 | L | 54.8 | Low | 57.7 | Low | 115 Ų | 115 | 110.7 Ų | 110.7 | 60% | 0.602 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -56.6 | -43.3 | 172.9 | -126.4 | 82 | 0 | 0 | 0 | 111.9 | Q505 T507 S511 H512 F513 | Q505-L509 PolarHBondContact O-N 3.19Å; T507-L509 VanDerWaalsContact C-N 3.34Å; L509-S511 PolarHBondContact O-N 3.01Å; L509-H512 PolarHBondContact O-N 3.42Å; L509-F513 WeakPolarHBondContact O-CD2 3.45Å; L509-F513 PolarHBondContact O-N 3.31Å |
| 510 | R | 58.4 | Low | 57.7 | Low | 179 Ų | 179 | 107.6 Ų | 107.6 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.7 | -35.4 | 178.7 | -163.8 | 179.9 | -67 | 161.9 | -0 | 112.9 | T506 T507 T508 K514 | T506-R510 PolarHBondContact O-N 2.85Å; T507-R510 WeakPolarHBondContact O-CB 3.43Å; T507-R510 PolarHBondContact O-N 3.49Å; T507-R510 VanDerWaalsContact O-N 3.16Å; T508-R510 VanDerWaalsContact C-N 3.31Å; T508-R510 PolarHBondContact O-N 3.13Å; R510-K514 PolarHBondContact O-N 3.44Å |
| 511 | S | 60.6 | Low | 57.4 | Low | 62 Ų | 62 | 105.3 Ų | 105.3 | 43% | 0.434 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -74.4 | -36.4 | 177.9 | 75.1 | 0 | 0 | 0 | 0 | 113 | T507 T508 L509 K514 C515 | T507-S511 PolarHBondContact O-N 2.81Å; T508-S511 PolarHBondContact O-N 2.94Å; T508-S511 PolarHBondContact O-OG 3.42Å; L509-S511 PolarHBondContact O-N 3.01Å; S511-K514 WeakPolarHBondContact O-CB 3.18Å; S511-K514 PolarHBondContact O-N 2.78Å; S511-C515 PolarHBondContact O-N 2.93Å |
| 512 | H | 51.7 | Low | 57.4 | Low | 130 Ų | 130 | 105.5 Ų | 105.5 | 60% | 0.602 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.9 | -42.8 | 177.2 | -79.2 | -145.8 | 0 | 0 | 0 | 111.1 | T508 L509 K514 C515 F516 | T508-H512 PolarHBondContact O-CD2 3.42Å; T508-H512 PolarHBondContact O-N 3.36Å; T508-H512 VanDerWaalsContact O-N 3.08Å; L509-H512 PolarHBondContact O-N 3.42Å; H512-K514 VanDerWaalsContact C-N 3.31Å; H512-K514 PolarHBondContact O-N 2.93Å; H512-C515 PolarHBondContact O-N 2.96Å; H512-F516 PolarHBondContact O-N 3.21Å |
| 513 | F | 54.7 | Low | 57.2 | Low | 150 Ų | 150 | 106.4 Ų | 106.4 | 66% | 0.658 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.8 | -41.9 | 172.4 | -91.8 | -76.9 | 0 | 0 | 0 | 111.9 | L509 F516 T517 | L509-F513 WeakPolarHBondContact O-CD2 3.45Å; L509-F513 PolarHBondContact O-N 3.31Å; F513-F516 WeakPolarHBondContact O-CB 3.37Å; F513-F516 PolarHBondContact O-N 3Å; F513-T517 PolarHBondContact O-N 3Å; F513-T517 PolarHBondContact O-OG1 3.18Å |
| 514 | K | 60.7 | Low | 57.4 | Low | 149 Ų | 149 | 105.2 Ų | 105.2 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.7 | -38.9 | 176.7 | -166.1 | 174.3 | -175.3 | 177.7 | 0 | 113 | R510 S511 H512 F516 T517 N518 | R510-K514 PolarHBondContact O-N 3.44Å; S511-K514 WeakPolarHBondContact O-CB 3.18Å; S511-K514 PolarHBondContact O-N 2.78Å; H512-K514 VanDerWaalsContact C-N 3.31Å; H512-K514 PolarHBondContact O-N 2.93Å; K514-F516 VanDerWaalsContact C-N 3.31Å; K514-T517 PolarHBondContact O-N 3.22Å; K514-N518 PolarHBondContact O-N 3.35Å |
| 515 | C | 51.6 | Low | 57.2 | Low | 84 Ų | 84 | 103.8 Ų | 103.8 | 57% | 0.568 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.3 | -35.8 | 174.5 | -165.9 | 0 | 0 | 0 | 0 | 111.7 | S511 H512 K519 | S511-C515 PolarHBondContact O-N 2.93Å; H512-C515 PolarHBondContact O-N 2.96Å; C515-K519 PolarHBondContact O-N 3.06Å; C515-K519 VanDerWaalsContact O-N 3.11Å |
| 516 | F | 50.2 | Low | 57.3 | Low | 150 Ų | 150 | 105.6 Ų | 105.6 | 66% | 0.658 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 175.4 | -139.7 | -88.6 | 0 | 0 | 0 | 111.4 | H512 F513 K514 K519 I520 | H512-F516 PolarHBondContact O-N 3.21Å; F513-F516 WeakPolarHBondContact O-CB 3.37Å; F513-F516 PolarHBondContact O-N 3Å; K514-F516 VanDerWaalsContact C-N 3.31Å; F516-K519 PolarHBondContact O-N 3.49Å; F516-I520 HydrophobicContact CD1-CD1 4.04Å; F516-I520 HydrophobicContact CE1-CD1 4.44Å; F516-I520 WeakPolarHBondContact O-CG1 3.49Å; F516-I520 PolarHBondContact O-N 3.37Å |
| 517 | T | 53.3 | Low | 57.4 | Low | 92 Ų | 92 | 107.7 Ų | 107.7 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.7 | -41.2 | 177.3 | -42.6 | 0 | 0 | 0 | 0 | 112.3 | F513 K514 K519 I520 G521 | F513-T517 PolarHBondContact O-N 3Å; F513-T517 PolarHBondContact O-OG1 3.18Å; K514-T517 PolarHBondContact O-N 3.22Å; T517-K519 PolarHBondContact O-N 3.27Å; T517-I520 PolarHBondContact O-N 3.07Å; T517-G521 PolarHBondContact O-N 3.23Å |
| 518 | N | 62.4 | Low | 57.3 | Low | 104 Ų | 104 | 109 Ų | 109 | 56% | 0.556 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.2 | -36.1 | 177.5 | -85.4 | 2.6 | 0 | 0 | 0 | 113 | K514 G521 N522 | K514-N518 PolarHBondContact O-N 3.35Å; N518-G521 PolarHBondContact O-N 3.34Å; N518-N522 PolarHBondContact O-N 2.94Å |
| 519 | K | 61.1 | Low | 57.3 | Low | 151 Ų | 151 | 108.7 Ų | 108.7 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.9 | -35.6 | 178.7 | -143.6 | 170.4 | -172.8 | 177.1 | 0 | 111.5 | C515 F516 T517 N522 M523 | C515-K519 PolarHBondContact O-N 3.06Å; C515-K519 VanDerWaalsContact O-N 3.11Å; F516-K519 PolarHBondContact O-N 3.49Å; T517-K519 PolarHBondContact O-N 3.27Å; K519-N522 PolarHBondContact O-N 2.94Å; K519-M523 PolarHBondContact O-N 2.91Å; K519-M523 VanDerWaalsContact O-N 3.12Å |
| 520 | I | 58.5 | Low | 57.2 | Low | 77 Ų | 77 | 108.4 Ų | 108.4 | 40% | 0.395 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.3 | -44.5 | 169.2 | -67.3 | 169.8 | 0 | 0 | 0 | 110.4 | F516 T517 N522 M523 I524 | F516-I520 HydrophobicContact CD1-CD1 4.04Å; F516-I520 HydrophobicContact CE1-CD1 4.44Å; F516-I520 WeakPolarHBondContact O-CG1 3.49Å; F516-I520 PolarHBondContact O-N 3.37Å; T517-I520 PolarHBondContact O-N 3.07Å; I520-N522 VanDerWaalsContact C-N 3.33Å; I520-N522 PolarHBondContact O-N 3.44Å; I520-M523 HydrophobicContact CB-CE 4.49Å; I520-M523 HydrophobicContact CG1-CE 4.1Å; I520-M523 PolarHBondContact O-N 3.42Å; I520-I524 HydrophobicContact CG2-CD1 3.8Å; I520-I524 WeakPolarHBondContact O-CG1 3.48Å; I520-I524 PolarHBondContact O-N 2.86Å |
| 521 | G | 56.8 | Low | 57.1 | Low | 34 Ų | 34 | 105.3 Ų | 105.3 | 35% | 0.351 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | T517 N518 I524 A525 | T517-G521 PolarHBondContact O-N 3.23Å; N518-G521 PolarHBondContact O-N 3.34Å; G521-I524 PolarHBondContact O-N 3.28Å; G521-A525 WeakPolarHBondContact O-CB 3.44Å; G521-A525 PolarHBondContact O-N 3.28Å |
| 522 | N | 64.8 | Low | 56.8 | Low | 110 Ų | 110 | 107.1 Ų | 107.1 | 59% | 0.588 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.8 | -33.4 | 177.6 | -77.1 | -8.9 | 0 | 0 | 0 | 113.4 | N518 K519 I520 K526 | N518-N522 PolarHBondContact O-N 2.94Å; K519-N522 PolarHBondContact O-N 2.94Å; I520-N522 VanDerWaalsContact C-N 3.33Å; I520-N522 PolarHBondContact O-N 3.44Å; N522-K526 WeakPolarHBondContact O-CB 3.42Å; N522-K526 PolarHBondContact O-N 3.47Å |
| 523 | M | 51.1 | Low | 57 | Low | 119 Ų | 119 | 107.5 Ų | 107.5 | 59% | 0.586 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.7 | -40.8 | 172.9 | -73 | -174.8 | -62.7 | 0 | 0 | 111.4 | K519 I520 L527 | K519-M523 PolarHBondContact O-N 2.91Å; K519-M523 VanDerWaalsContact O-N 3.12Å; I520-M523 HydrophobicContact CB-CE 4.49Å; I520-M523 HydrophobicContact CG1-CE 4.1Å; I520-M523 PolarHBondContact O-N 3.42Å; M523-L527 WeakPolarHBondContact O-CB 3.2Å; M523-L527 PolarHBondContact O-N 3.16Å; M523-L527 VanDerWaalsContact O-N 3.13Å |
| 524 | I | 61.1 | Low | 56.5 | Low | 95 Ų | 95 | 107.2 Ų | 107.2 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.1 | -42.1 | 177.4 | -65.1 | 167.6 | 0 | 0 | 0 | 110.9 | I520 G521 L527 N528 | I520-I524 HydrophobicContact CG2-CD1 3.8Å; I520-I524 WeakPolarHBondContact O-CG1 3.48Å; I520-I524 PolarHBondContact O-N 2.86Å; G521-I524 PolarHBondContact O-N 3.28Å; I524-L527 PolarHBondContact O-N 3.45Å; I524-N528 PolarHBondContact O-N 2.86Å |
| 525 | A | 59.9 | Low | 55.3 | Low | 55 Ų | 55 | 107.2 Ų | 107.2 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G521 N528 S529 | G521-A525 WeakPolarHBondContact O-CB 3.44Å; G521-A525 PolarHBondContact O-N 3.28Å; A525-N528 PolarHBondContact O-N 3.46Å; A525-S529 WeakPolarHBondContact O-CB 3.37Å; A525-S529 PolarHBondContact O-N 3Å; A525-S529 PolarHBondContact O-OG 3.35Å |
| 526 | K | 63.2 | Low | 54.7 | Low | 153 Ų | 153 | 110.3 Ų | 110.3 | 67% | 0.665 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67 | -42.2 | 176 | -82.6 | -172 | 173.9 | -170 | 0 | 112.3 | N522 N528 S529 F530 | N522-K526 WeakPolarHBondContact O-CB 3.42Å; N522-K526 PolarHBondContact O-N 3.47Å; K526-N528 VanDerWaalsContact C-N 3.32Å; K526-N528 PolarHBondContact O-N 2.83Å; K526-S529 WeakPolarHBondContact CA-OG 3.49Å; K526-S529 PolarHBondContact O-N 3.44Å; K526-S529 PolarHBondContact O-OG 3.24Å; K526-F530 PolarHBondContact O-N 3.39Å |
| 527 | L | 53.2 | Low | 54.2 | Low | 123 Ų | 123 | 107.2 Ų | 107.2 | 64% | 0.644 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.2 | -44.6 | 176.5 | -133 | 133.4 | 0 | 0 | 0 | 110.9 | M523 I524 Q531 | M523-L527 WeakPolarHBondContact O-CB 3.2Å; M523-L527 PolarHBondContact O-N 3.16Å; M523-L527 VanDerWaalsContact O-N 3.13Å; I524-L527 PolarHBondContact O-N 3.45Å; L527-Q531 WeakPolarHBondContact O-CB 3.48Å; L527-Q531 PolarHBondContact O-N 2.81Å; L527-Q531 VanDerWaalsContact O-N 3.11Å |
| 528 | N | 59.5 | Low | 53.8 | Low | 88 Ų | 88 | 112.6 Ų | 112.6 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.6 | -37.1 | 177.2 | -69.5 | -15.2 | 0 | 0 | 0 | 112.8 | I524 A525 K526 F530 Q531 V532 | I524-N528 PolarHBondContact O-N 2.86Å; A525-N528 PolarHBondContact O-N 3.46Å; K526-N528 VanDerWaalsContact C-N 3.32Å; K526-N528 PolarHBondContact O-N 2.83Å; N528-F530 VanDerWaalsContact C-N 3.34Å; N528-F530 PolarHBondContact O-N 2.97Å; N528-Q531 PolarHBondContact O-N 2.91Å; N528-V532 WeakPolarHBondContact O-CG2 3.48Å; N528-V532 PolarHBondContact O-N 3.26Å; N528-V532 VanDerWaalsContact O-N 3.1Å |
| 529 | S | 56.1 | Low | 53.1 | Low | 62 Ų | 62 | 116.2 Ų | 116.2 | 43% | 0.434 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.7 | -34.8 | 177.3 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | A525 K526 V532 Q533 | A525-S529 WeakPolarHBondContact O-CB 3.37Å; A525-S529 PolarHBondContact O-N 3Å; A525-S529 PolarHBondContact O-OG 3.35Å; K526-S529 WeakPolarHBondContact CA-OG 3.49Å; K526-S529 PolarHBondContact O-N 3.44Å; K526-S529 PolarHBondContact O-OG 3.24Å; S529-V532 PolarHBondContact O-N 2.8Å; S529-Q533 PolarHBondContact O-N 2.98Å |
| 530 | F | 53.3 | Low | 52.4 | Low | 109 Ų | 109 | 118 Ų | 118 | 48% | 0.478 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.5 | -37 | 173 | -111.3 | -84.6 | 0 | 0 | 0 | 111.6 | K526 N528 V532 Q534 M541 | K526-F530 PolarHBondContact O-N 3.39Å; N528-F530 VanDerWaalsContact C-N 3.34Å; N528-F530 PolarHBondContact O-N 2.97Å; F530-V532 PolarHBondContact O-N 2.96Å; F530-Q534 PolarHBondContact O-N 3.5Å; F530-M541 HydrophobicContact CE1-SD 4.45Å |
| 531 | Q | 55.1 | Low | 51.5 | Low | 115 Ų | 115 | 117.9 Ų | 117.9 | 54% | 0.537 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71 | -13.4 | 176.6 | -149.5 | 166.6 | -2.2 | 0 | 0 | 113 | L527 N528 Q534 | L527-Q531 WeakPolarHBondContact O-CB 3.48Å; L527-Q531 PolarHBondContact O-N 2.81Å; L527-Q531 VanDerWaalsContact O-N 3.11Å; N528-Q531 PolarHBondContact O-N 2.91Å; Q531-Q534 WeakPolarHBondContact O-CB 3.47Å; Q531-Q534 PolarHBondContact O-OE1 3Å |
| 532 | V | 53.9 | Low | 51.2 | Low | 99 Ų | 99 | 121.8 Ų | 121.8 | 60% | 0.6 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -100.3 | -32.6 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 112.9 | N528 S529 F530 Q534 E535 | N528-V532 WeakPolarHBondContact O-CG2 3.48Å; N528-V532 PolarHBondContact O-N 3.26Å; N528-V532 VanDerWaalsContact O-N 3.1Å; S529-V532 PolarHBondContact O-N 2.8Å; F530-V532 PolarHBondContact O-N 2.96Å; V532-Q534 PolarHBondContact O-N 3Å; V532-E535 PolarHBondContact O-N 3.05Å |
| 533 | Q | 56.8 | Low | 50.7 | Low | 139 Ų | 139 | 122.9 Ų | 122.9 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.7 | -9.1 | 165.7 | -86.1 | -176.1 | -21.6 | 0 | 0 | 113.1 | S529 E535 | S529-Q533 PolarHBondContact O-N 2.98Å; Q533-E535 PolarHBondContact O-N 2.71Å |
| 534 | Q | 43.5 | Very low | 50.8 | Low | 144 Ų | 144 | 123 Ų | 123 | 67% | 0.673 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -16 | 162.3 | -150.8 | 172.4 | 34.1 | 0 | 0 | 113.2 | F530 Q531 V532 N536 | F530-Q534 PolarHBondContact O-N 3.5Å; Q531-Q534 WeakPolarHBondContact O-CB 3.47Å; Q531-Q534 PolarHBondContact O-OE1 3Å; V532-Q534 PolarHBondContact O-N 3Å; Q534-N536 PolarHBondContact O-N 2.94Å |
| 535 | E | 35.9 | Very low | 50.4 | Low | 149 Ų | 149 | 122.8 Ų | 122.8 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -80.9 | 98.2 | 165.8 | -70.4 | -172.6 | 165.8 | 0 | 0 | 110.9 | V532 Q533 | V532-E535 PolarHBondContact O-N 3.05Å; Q533-E535 PolarHBondContact O-N 2.71Å |
| 536 | N | 39.6 | Very low | 50.5 | Low | 149 Ų | 149 | 127.5 Ų | 127.5 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 108.4 | 18.8 | 143.5 | -55.1 | -34.7 | 0 | 0 | 0 | 122.4 | Q534 | Q534-N536 PolarHBondContact O-N 2.94Š|
| 537 | S | 38.4 | Very low | 50.5 | Low | 85 Ų | 85 | 125 Ų | 125 | 59% | 0.594 | 63% | 0.632 | S | S | * | * | trans | -133.2 | 76.5 | 167 | 56.8 | 0 | 0 | 0 | 0 | 113 | E539 | S537-E539 PolarHBondContact O-N 3.43Š| ||
| 538 | K | 46.5 | Very low | 51.1 | Low | 205 Ų | 205 | 125.1 Ų | 125.1 | 89% | 0.891 | 63% | 0.629 | S | S | * | * | trans | -67.6 | 92.9 | 172.5 | -72 | 179.2 | 177.1 | 176.8 | 0 | 109.6 | ||||
| 539 | E | 47.3 | Very low | 51.4 | Low | 180 Ų | 180 | 127.5 Ų | 127.5 | 84% | 0.841 | 64% | 0.637 | S | S | * | * | S | Bend | 172.2 | -21.4 | 120.5 | -94.1 | 171.4 | 168.4 | 0 | 0 | 114.4 | S537 M541 | S537-E539 PolarHBondContact O-N 3.43Å; E539-M541 PolarHBondContact O-N 3.41Å | |
| 540 | E | 46.7 | Very low | 52 | Low | 189 Ų | 189 | 130.2 Ų | 130.2 | 88% | 0.883 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -0.5 | -170 | -145.7 | 164.2 | -168.8 | 0 | 0 | 115.7 | ||
| 541 | M | 39.3 | Very low | 52.9 | Low | 74 Ų | 74 | 129.9 Ų | 129.9 | 37% | 0.365 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.8 | 3.8 | -172.9 | -148.4 | -170.8 | -57.8 | 0 | 0 | 115.8 | F530 E539 | F530-M541 HydrophobicContact CE1-SD 4.45Å; E539-M541 PolarHBondContact O-N 3.41Å |
| 542 | V | 49.4 | Very low | 53.4 | Low | 116 Ų | 116 | 130.2 Ų | 130.2 | 70% | 0.703 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -22.1 | -177.5 | 176 | 0 | 0 | 0 | 0 | 113.3 | ||
| 543 | I | 54.2 | Low | 54.1 | Low | 133 Ų | 133 | 133.5 Ų | 133.5 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -46.4 | -173.3 | -61.6 | 177 | 0 | 0 | 0 | 111.5 | L545 K546 | I543-L545 VanDerWaalsContact C-N 3.29Å; I543-L545 PolarHBondContact O-N 3.06Å; I543-K546 PolarHBondContact O-N 2.8Å; I543-K546 VanDerWaalsContact O-N 3.16Å |
| 544 | D | 54.2 | Low | 54.6 | Low | 122 Ų | 122 | 133.5 Ų | 133.5 | 65% | 0.652 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.7 | -26.8 | -177 | -71.9 | -18.3 | 0 | 0 | 0 | 114 | K546 E548 | D544-K546 VanDerWaalsContact C-N 3.28Å; D544-K546 PolarHBondContact O-N 3.4Å; D544-E548 PolarHBondContact O-N 2.96Å |
| 545 | L | 52.6 | Low | 55.8 | Low | 90 Ų | 90 | 132.1 Ų | 132.1 | 47% | 0.471 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -67.9 | -25.4 | 176.8 | -91 | 162.7 | 0 | 0 | 0 | 113.5 | I543 Q549 | I543-L545 VanDerWaalsContact C-N 3.29Å; I543-L545 PolarHBondContact O-N 3.06Å; L545-Q549 PolarHBondContact O-N 2.99Å |
| 546 | K | 62.2 | Low | 57.4 | Low | 154 Ų | 154 | 127.9 Ų | 127.9 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.6 | -38.3 | -176 | -149.7 | 174.5 | -173.9 | 178.5 | 0 | 111.6 | I543 D544 Q550 | I543-K546 PolarHBondContact O-N 2.8Å; I543-K546 VanDerWaalsContact O-N 3.16Å; D544-K546 VanDerWaalsContact C-N 3.28Å; D544-K546 PolarHBondContact O-N 3.4Å; K546-Q550 PolarHBondContact O-N 3.17Å |
| 547 | D | 63.3 | Low | 58.6 | Low | 100 Ų | 100 | 127 Ų | 127 | 54% | 0.535 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -71.8 | -37.7 | 179 | -76.4 | -7.9 | 0 | 0 | 0 | 111.8 | Q550 N551 | D547-Q550 PolarHBondContact O-N 3.44Å; D547-N551 PolarHBondContact O-N 3.27Å |
| 548 | E | 64.5 | Low | 60 | Low | 125 Ų | 125 | 129.8 Ų | 129.8 | 58% | 0.584 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.7 | -34.5 | -179.4 | -134.1 | 167.5 | -169.5 | 0 | 0 | 112.6 | D544 Q550 N551 I552 | D544-E548 PolarHBondContact O-N 2.96Å; E548-Q550 VanDerWaalsContact C-N 3.29Å; E548-Q550 PolarHBondContact O-N 3.29Å; E548-N551 PolarHBondContact O-N 3.46Å; E548-I552 WeakPolarHBondContact O-CG1 3.36Å; E548-I552 PolarHBondContact O-N 3.49Å |
| 549 | Q | 66.2 | Low | 61.1 | Low | 139 Ų | 139 | 125.5 Ų | 125.5 | 65% | 0.65 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61 | -37.2 | 169.1 | -87.2 | -168.5 | -13.2 | 0 | 0 | 112.5 | L545 N551 I552 K553 | L545-Q549 PolarHBondContact O-N 2.99Å; Q549-N551 VanDerWaalsContact C-N 3.34Å; Q549-I552 PolarHBondContact O-N 3.26Å; Q549-K553 PolarHBondContact O-N 3.43Å |
| 550 | Q | 68.1 | Low | 62.1 | Low | 119 Ų | 119 | 122 Ų | 122 | 56% | 0.556 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.2 | -31.9 | -178.5 | -155 | 159.9 | -6.5 | 0 | 0 | 111.9 | K546 D547 E548 K554 | K546-Q550 PolarHBondContact O-N 3.17Å; D547-Q550 PolarHBondContact O-N 3.44Å; E548-Q550 VanDerWaalsContact C-N 3.29Å; E548-Q550 PolarHBondContact O-N 3.29Å; Q550-K554 PolarHBondContact O-N 2.94Å |
| 551 | N | 73.6 | Confident | 63 | Low | 102 Ų | 102 | 118.5 Ų | 118.5 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.4 | -40.4 | 173.3 | -76.8 | -29.4 | 0 | 0 | 0 | 113 | D547 E548 Q549 K553 K554 L555 | D547-N551 PolarHBondContact O-N 3.27Å; E548-N551 PolarHBondContact O-N 3.46Å; Q549-N551 VanDerWaalsContact C-N 3.34Å; N551-K553 VanDerWaalsContact C-N 3.32Å; N551-K553 PolarHBondContact O-N 3.31Å; N551-K554 PolarHBondContact O-N 2.91Å; N551-L555 PolarHBondContact O-N 3.29Å; N551-L555 VanDerWaalsContact O-N 3.14Å |
| 552 | I | 65.3 | Low | 64.3 | Low | 122 Ų | 122 | 122.5 Ų | 122.5 | 63% | 0.626 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.3 | -39.5 | 176.7 | -66.6 | 171.4 | 0 | 0 | 0 | 110.8 | E548 Q549 K554 L555 A556 | E548-I552 WeakPolarHBondContact O-CG1 3.36Å; E548-I552 PolarHBondContact O-N 3.49Å; Q549-I552 PolarHBondContact O-N 3.26Å; I552-K554 PolarHBondContact O-N 3.4Å; I552-L555 PolarHBondContact O-N 2.98Å; I552-A556 PolarHBondContact O-N 2.84Å; I552-A556 VanDerWaalsContact O-N 3.08Å |
| 553 | K | 68.3 | Low | 65.1 | Low | 168 Ų | 168 | 120 Ų | 120 | 73% | 0.73 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.4 | -42.7 | 175.1 | -106.4 | -178.5 | 176.9 | 177.2 | 0 | 112.9 | Q549 N551 L555 A556 Q557 | Q549-K553 PolarHBondContact O-N 3.43Å; N551-K553 VanDerWaalsContact C-N 3.32Å; N551-K553 PolarHBondContact O-N 3.31Å; K553-L555 VanDerWaalsContact C-N 3.33Å; K553-L555 PolarHBondContact O-N 2.81Å; K553-A556 PolarHBondContact O-N 2.93Å; K553-Q557 PolarHBondContact O-N 3.47Å |
| 554 | K | 66.9 | Low | 65.6 | Low | 139 Ų | 139 | 118.6 Ų | 118.6 | 60% | 0.604 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.3 | -36.5 | 176.3 | -77.5 | -179.2 | 178.5 | 173.4 | 0 | 112.5 | Q550 N551 I552 K558 | Q550-K554 PolarHBondContact O-N 2.94Å; N551-K554 PolarHBondContact O-N 2.91Å; I552-K554 PolarHBondContact O-N 3.4Å; K554-K558 PolarHBondContact O-N 3.33Å |
| 555 | L | 68.4 | Low | 66 | Low | 114 Ų | 114 | 117.7 Ų | 117.7 | 60% | 0.597 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.6 | -40.5 | 179.6 | -162.2 | 74 | 0 | 0 | 0 | 111.8 | N551 I552 K553 Q557 K558 I559 | N551-L555 PolarHBondContact O-N 3.29Å; N551-L555 VanDerWaalsContact O-N 3.14Å; I552-L555 PolarHBondContact O-N 2.98Å; K553-L555 VanDerWaalsContact C-N 3.33Å; K553-L555 PolarHBondContact O-N 2.81Å; L555-Q557 VanDerWaalsContact C-N 3.32Å; L555-Q557 PolarHBondContact O-N 3.49Å; L555-K558 PolarHBondContact O-N 2.9Å; L555-I559 WeakPolarHBondContact O-CG1 3.44Å; L555-I559 PolarHBondContact O-N 2.84Å |
| 556 | A | 69.8 | Low | 66.6 | Low | 60 Ų | 60 | 118.3 Ų | 118.3 | 50% | 0.496 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.7 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I552 K553 I559 N560 | I552-A556 PolarHBondContact O-N 2.84Å; I552-A556 VanDerWaalsContact O-N 3.08Å; K553-A556 PolarHBondContact O-N 2.93Å; A556-I559 PolarHBondContact O-N 3.4Å; A556-N560 PolarHBondContact O-N 3.48Å |
| 557 | Q | 65.8 | Low | 66.7 | Low | 130 Ų | 130 | 117.1 Ų | 117.1 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.2 | -41.7 | 178.4 | -162.7 | 171.5 | 1.1 | 0 | 0 | 112.5 | K553 L555 I559 N560 E561 | K553-Q557 PolarHBondContact O-N 3.47Å; L555-Q557 VanDerWaalsContact C-N 3.32Å; L555-Q557 PolarHBondContact O-N 3.49Å; Q557-I559 VanDerWaalsContact C-N 3.31Å; Q557-I559 PolarHBondContact O-N 3.29Å; Q557-N560 PolarHBondContact O-N 3.5Å; Q557-E561 PolarHBondContact O-N 2.85Å |
| 558 | K | 67.9 | Low | 66.7 | Low | 145 Ų | 145 | 120.3 Ų | 120.3 | 63% | 0.63 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.1 | -33.5 | 175 | -82.3 | -175.3 | 176.3 | 179.7 | 0 | 113.6 | K554 L555 K562 | K554-K558 PolarHBondContact O-N 3.33Å; L555-K558 PolarHBondContact O-N 2.9Å; K558-K562 PolarHBondContact O-N 3.42Å |
| 559 | I | 68.8 | Low | 66.7 | Low | 114 Ų | 114 | 121.3 Ų | 121.3 | 59% | 0.585 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.4 | -40.7 | 176.9 | -69.5 | 170.7 | 0 | 0 | 0 | 110.1 | L555 A556 Q557 E561 K562 S563 | L555-I559 WeakPolarHBondContact O-CG1 3.44Å; L555-I559 PolarHBondContact O-N 2.84Å; A556-I559 PolarHBondContact O-N 3.4Å; Q557-I559 VanDerWaalsContact C-N 3.31Å; Q557-I559 PolarHBondContact O-N 3.29Å; I559-E561 PolarHBondContact O-N 3.4Å; I559-K562 PolarHBondContact O-N 2.89Å; I559-S563 PolarHBondContact O-N 3.31Å; I559-S563 VanDerWaalsContact O-N 3.11Å |
| 560 | N | 69 | Low | 66.6 | Low | 106 Ų | 106 | 119.3 Ų | 119.3 | 57% | 0.567 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | 179.5 | -161.2 | 49.8 | 0 | 0 | 0 | 112.3 | A556 Q557 K562 S563 I564 | A556-N560 PolarHBondContact O-N 3.48Å; Q557-N560 PolarHBondContact O-N 3.5Å; N560-K562 PolarHBondContact O-N 2.97Å; N560-S563 WeakPolarHBondContact O-CB 3.49Å; N560-S563 PolarHBondContact O-N 3.3Å; N560-I564 PolarHBondContact O-N 3.28Å |
| 561 | E | 64.3 | Low | 66.6 | Low | 117 Ų | 117 | 117.8 Ų | 117.8 | 55% | 0.547 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.9 | -41.3 | 175.4 | -72 | 173.4 | -177.5 | 0 | 0 | 112.6 | Q557 I559 S563 I564 | Q557-E561 PolarHBondContact O-N 2.85Å; I559-E561 PolarHBondContact O-N 3.4Å; E561-S563 VanDerWaalsContact C-N 3.33Å; E561-S563 PolarHBondContact O-N 3.31Å; E561-I564 PolarHBondContact O-N 2.97Å |
| 562 | K | 66.7 | Low | 66.1 | Low | 157 Ų | 157 | 116.6 Ų | 116.6 | 68% | 0.683 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.7 | -33 | 176.9 | -75.6 | -171.5 | 175.3 | -171.6 | 0 | 113 | K558 I559 N560 I564 V565 I566 | K558-K562 PolarHBondContact O-N 3.42Å; I559-K562 PolarHBondContact O-N 2.89Å; N560-K562 PolarHBondContact O-N 2.97Å; K562-I564 VanDerWaalsContact C-N 3.35Å; K562-I564 PolarHBondContact O-N 3.31Å; K562-V565 PolarHBondContact O-N 2.78Å; K562-I566 WeakPolarHBondContact O-CG1 3.48Å; K562-I566 PolarHBondContact O-N 2.79Å |
| 563 | S | 67.5 | Low | 66 | Low | 64 Ų | 64 | 115.2 Ų | 115.2 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.7 | -41.3 | 177.4 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | I559 N560 E561 V565 I566 H567 | I559-S563 PolarHBondContact O-N 3.31Å; I559-S563 VanDerWaalsContact O-N 3.11Å; N560-S563 WeakPolarHBondContact O-CB 3.49Å; N560-S563 PolarHBondContact O-N 3.3Å; E561-S563 VanDerWaalsContact C-N 3.33Å; E561-S563 PolarHBondContact O-N 3.31Å; S563-V565 VanDerWaalsContact C-N 3.32Å; S563-V565 PolarHBondContact O-N 2.88Å; S563-I566 PolarHBondContact O-N 3.12Å; S563-H567 PolarHBondContact O-N 3.41Å |
| 564 | I | 64.1 | Low | 65.8 | Low | 103 Ų | 103 | 116 Ų | 116 | 53% | 0.528 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.4 | -35.7 | 179.9 | -63.6 | 171.5 | 0 | 0 | 0 | 111.9 | N560 E561 K562 K568 | N560-I564 PolarHBondContact O-N 3.28Å; E561-I564 PolarHBondContact O-N 2.97Å; K562-I564 VanDerWaalsContact C-N 3.35Å; K562-I564 PolarHBondContact O-N 3.31Å; I564-K568 PolarHBondContact O-N 3.37Å |
| 565 | V | 63.4 | Low | 65.8 | Low | 103 Ų | 103 | 114.9 Ų | 114.9 | 62% | 0.624 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.2 | -39.6 | 178.4 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | K562 S563 H567 K568 F569 | K562-V565 PolarHBondContact O-N 2.78Å; S563-V565 VanDerWaalsContact C-N 3.32Å; S563-V565 PolarHBondContact O-N 2.88Å; V565-H567 PolarHBondContact O-N 3.11Å; V565-K568 PolarHBondContact O-N 3.42Å; V565-F569 PolarHBondContact O-N 2.75Å |
| 566 | I | 64.3 | Low | 65.6 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 53% | 0.533 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.5 | -44.1 | 179.4 | -67.9 | 169.4 | 0 | 0 | 0 | 110.6 | K562 S563 K568 F569 E570 | K562-I566 WeakPolarHBondContact O-CG1 3.48Å; K562-I566 PolarHBondContact O-N 2.79Å; S563-I566 PolarHBondContact O-N 3.12Å; I566-K568 VanDerWaalsContact C-N 3.33Å; I566-K568 PolarHBondContact O-N 3.48Å; I566-F569 WeakPolarHBondContact O-CB 3.44Å; I566-F569 PolarHBondContact O-N 3.08Å; I566-F569 VanDerWaalsContact O-N 3.1Å; I566-E570 PolarHBondContact O-N 3.38Å; I566-E570 VanDerWaalsContact O-N 3.16Å |
| 567 | H | 65 | Low | 65.3 | Low | 128 Ų | 128 | 113.8 Ų | 113.8 | 59% | 0.593 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.3 | -35.8 | 179.6 | -106 | -17.7 | 0 | 0 | 0 | 113.8 | S563 V565 F569 E570 S571 | S563-H567 PolarHBondContact O-N 3.41Å; V565-H567 PolarHBondContact O-N 3.11Å; H567-F569 VanDerWaalsContact C-N 3.32Å; H567-F569 PolarHBondContact O-N 3.06Å; H567-E570 IonicContact CE1-OE2 3.69Å; H567-E570 IonicContact ND1-OE2 2.66Å; H567-E570 PolarHBondContact ND1-OE2 2.96Å; H567-E570 PolarHBondContact O-N 3.45Å; H567-S571 PolarHBondContact O-N 3.5Å |
| 568 | K | 63.5 | Low | 65.5 | Low | 167 Ų | 167 | 111.1 Ų | 111.1 | 73% | 0.726 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.3 | -35.2 | 174.7 | -78.2 | -173.8 | 176.7 | -178.6 | 0 | 112.6 | I564 V565 I566 S572 | I564-K568 PolarHBondContact O-N 3.37Å; V565-K568 PolarHBondContact O-N 3.42Å; I566-K568 VanDerWaalsContact C-N 3.33Å; I566-K568 PolarHBondContact O-N 3.48Å; K568-S572 PolarHBondContact O-N 3.42Å |
| 569 | F | 64.8 | Low | 65.6 | Low | 147 Ų | 147 | 108.2 Ų | 108.2 | 65% | 0.645 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.4 | -40 | 179.8 | -163.5 | -98.5 | 0 | 0 | 0 | 111.7 | V565 I566 H567 S571 S572 L573 | V565-F569 PolarHBondContact O-N 2.75Å; I566-F569 WeakPolarHBondContact O-CB 3.44Å; I566-F569 PolarHBondContact O-N 3.08Å; I566-F569 VanDerWaalsContact O-N 3.1Å; H567-F569 VanDerWaalsContact C-N 3.32Å; H567-F569 PolarHBondContact O-N 3.06Å; F569-S571 PolarHBondContact O-N 3.33Å; F569-S572 PolarHBondContact O-N 3.38Å; F569-L573 HydrophobicContact CD1-CD1 3.79Å; F569-L573 HydrophobicContact CE1-CD1 3.56Å; F569-L573 HydrophobicContact CE1-CG 4.37Å; F569-L573 PolarHBondContact O-N 3.14Å |
| 570 | E | 62.6 | Low | 65.7 | Low | 97 Ų | 97 | 107.8 Ų | 107.8 | 45% | 0.453 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.5 | -43.4 | 176.3 | -72.5 | 177.4 | 154.5 | 0 | 0 | 112.6 | I566 H567 S572 L573 Y574 | I566-E570 PolarHBondContact O-N 3.38Å; I566-E570 VanDerWaalsContact O-N 3.16Å; H567-E570 IonicContact CE1-OE2 3.69Å; H567-E570 IonicContact ND1-OE2 2.66Å; H567-E570 PolarHBondContact ND1-OE2 2.96Å; H567-E570 PolarHBondContact O-N 3.45Å; E570-S572 VanDerWaalsContact C-N 3.34Å; E570-S572 PolarHBondContact O-N 2.88Å; E570-L573 PolarHBondContact O-N 3.41Å; E570-Y574 PolarHBondContact O-N 2.9Å; E570-Y574 VanDerWaalsContact O-N 3.13Å |
| 571 | S | 68 | Low | 65.7 | Low | 86 Ų | 86 | 107.5 Ų | 107.5 | 60% | 0.601 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.8 | -36.9 | 177.8 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | H567 F569 Q575 | H567-S571 PolarHBondContact O-N 3.5Å; F569-S571 PolarHBondContact O-N 3.33Å; S571-Q575 PolarHBondContact O-N 3.01Å |
| 572 | S | 63 | Low | 66.1 | Low | 77 Ų | 77 | 107.9 Ų | 107.9 | 54% | 0.538 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.8 | -36.6 | 178 | -170.3 | 0 | 0 | 0 | 0 | 112.7 | K568 F569 E570 T576 | K568-S572 PolarHBondContact O-N 3.42Å; F569-S572 PolarHBondContact O-N 3.38Å; E570-S572 VanDerWaalsContact C-N 3.34Å; E570-S572 PolarHBondContact O-N 2.88Å; S572-T576 PolarHBondContact O-N 2.87Å; S572-T576 PolarHBondContact O-OG1 3.44Å |
| 573 | L | 63.9 | Low | 66.2 | Low | 94 Ų | 94 | 106.3 Ų | 106.3 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.1 | -44 | 176.2 | -91.8 | 163.8 | 0 | 0 | 0 | 111.5 | F569 E570 Q575 T576 C577 | F569-L573 HydrophobicContact CD1-CD1 3.79Å; F569-L573 HydrophobicContact CE1-CD1 3.56Å; F569-L573 HydrophobicContact CE1-CG 4.37Å; F569-L573 PolarHBondContact O-N 3.14Å; E570-L573 PolarHBondContact O-N 3.41Å; L573-Q575 VanDerWaalsContact C-N 3.35Å; L573-Q575 PolarHBondContact O-N 3.31Å; L573-T576 PolarHBondContact O-N 3.4Å; L573-C577 PolarHBondContact O-N 2.83Å; L573-C577 VanDerWaalsContact O-N 3.12Å; L573-C577 PolarHBondContact O-SG 2.86Å |
| 574 | Y | 63.5 | Low | 66.4 | Low | 185 Ų | 185 | 106.7 Ų | 106.7 | 73% | 0.725 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -57.8 | -45.3 | 177.3 | -106.5 | -80.7 | 0 | 0 | 0 | 112.4 | E570 T576 C577 V578 | E570-Y574 PolarHBondContact O-N 2.9Å; E570-Y574 VanDerWaalsContact O-N 3.13Å; Y574-T576 VanDerWaalsContact C-N 3.32Å; Y574-T576 PolarHBondContact O-N 3.36Å; Y574-C577 PolarHBondContact O-N 2.87Å; Y574-V578 WeakPolarHBondContact O-CG2 3.49Å; Y574-V578 PolarHBondContact O-N 3.45Å |
| 575 | Q | 67 | Low | 67 | Low | 115 Ų | 115 | 106.2 Ų | 106.2 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -37.5 | 179.5 | -169.5 | 61.4 | 41.4 | 0 | 0 | 112.6 | S571 L573 V578 N579 | S571-Q575 PolarHBondContact O-N 3.01Å; L573-Q575 VanDerWaalsContact C-N 3.35Å; L573-Q575 PolarHBondContact O-N 3.31Å; Q575-V578 PolarHBondContact O-N 3.27Å; Q575-N579 PolarHBondContact NE2-OD1 3.22Å; Q575-N579 PolarHBondContact O-N 2.85Å |
| 576 | T | 65.2 | Low | 67.6 | Low | 76 Ų | 76 | 106 Ų | 106 | 47% | 0.466 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 179.6 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | S572 L573 Y574 V578 N579 L580 | S572-T576 PolarHBondContact O-N 2.87Å; S572-T576 PolarHBondContact O-OG1 3.44Å; L573-T576 PolarHBondContact O-N 3.4Å; Y574-T576 VanDerWaalsContact C-N 3.32Å; Y574-T576 PolarHBondContact O-N 3.36Å; T576-V578 PolarHBondContact O-N 3.47Å; T576-N579 PolarHBondContact O-N 2.94Å; T576-L580 PolarHBondContact O-N 3.43Å |
| 577 | C | 64.3 | Low | 68.2 | Low | 75 Ų | 75 | 106.5 Ų | 106.5 | 51% | 0.507 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -40 | 176.8 | -69.6 | 0 | 0 | 0 | 0 | 112.6 | L573 Y574 L580 V581 | L573-C577 PolarHBondContact O-N 2.83Å; L573-C577 VanDerWaalsContact O-N 3.12Å; L573-C577 PolarHBondContact O-SG 2.86Å; Y574-C577 PolarHBondContact O-N 2.87Å; C577-L580 PolarHBondContact O-N 2.84Å; C577-V581 WeakPolarHBondContact O-CG2 3.35Å; C577-V581 PolarHBondContact O-N 3.22Å |
| 578 | V | 69.3 | Low | 68.8 | Low | 74 Ų | 74 | 106.4 Ų | 106.4 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 178.9 | 172 | 0 | 0 | 0 | 0 | 111.5 | Y574 Q575 T576 L580 V581 M582 | Y574-V578 WeakPolarHBondContact O-CG2 3.49Å; Y574-V578 PolarHBondContact O-N 3.45Å; Q575-V578 PolarHBondContact O-N 3.27Å; T576-V578 PolarHBondContact O-N 3.47Å; V578-L580 PolarHBondContact O-N 2.86Å; V578-V581 PolarHBondContact O-N 2.92Å; V578-M582 PolarHBondContact O-N 3.2Å |
| 579 | N | 70.7 | Confident | 69.5 | Low | 83 Ų | 83 | 102.8 Ų | 102.8 | 44% | 0.444 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 178.7 | -69.6 | -7.4 | 0 | 0 | 0 | 112.1 | Q575 T576 V581 M582 E583 | Q575-N579 PolarHBondContact NE2-OD1 3.22Å; Q575-N579 PolarHBondContact O-N 2.85Å; T576-N579 PolarHBondContact O-N 2.94Å; N579-V581 PolarHBondContact O-N 3.42Å; N579-M582 PolarHBondContact O-N 3.19Å; N579-E583 PolarHBondContact O-N 2.92Å; N579-E583 VanDerWaalsContact O-N 3.1Å |
| 580 | L | 70.5 | Confident | 70.2 | Confident | 106 Ų | 106 | 100.2 Ų | 100.2 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -36.9 | 179.2 | -75 | 168.5 | 0 | 0 | 0 | 113.1 | T576 C577 V578 S584 | T576-L580 PolarHBondContact O-N 3.43Å; C577-L580 PolarHBondContact O-N 2.84Å; V578-L580 PolarHBondContact O-N 2.86Å; L580-S584 PolarHBondContact O-N 2.85Å |
| 581 | V | 68.6 | Low | 71 | Confident | 100 Ų | 100 | 105.2 Ų | 105.2 | 61% | 0.606 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.2 | -40.2 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 111 | C577 V578 N579 S584 E585 | C577-V581 WeakPolarHBondContact O-CG2 3.35Å; C577-V581 PolarHBondContact O-N 3.22Å; V578-V581 PolarHBondContact O-N 2.92Å; N579-V581 PolarHBondContact O-N 3.42Å; V581-S584 PolarHBondContact O-N 3.08Å; V581-E585 PolarHBondContact O-N 2.8Å |
| 582 | M | 72.8 | Confident | 71.7 | Confident | 124 Ų | 124 | 107.2 Ų | 107.2 | 61% | 0.611 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.7 | -41.7 | 178.2 | -68.1 | -123.2 | -63.8 | 0 | 0 | 112.6 | V578 N579 S584 E585 I586 | V578-M582 PolarHBondContact O-N 3.2Å; N579-M582 PolarHBondContact O-N 3.19Å; M582-S584 VanDerWaalsContact C-N 3.32Å; M582-S584 PolarHBondContact O-N 3.36Å; M582-E585 PolarHBondContact O-N 3.05Å; M582-I586 WeakPolarHBondContact O-CG1 3.44Å; M582-I586 PolarHBondContact O-N 3.24Å; M582-I586 VanDerWaalsContact O-N 3.16Å |
| 583 | E | 68.8 | Low | 72.7 | Confident | 125 Ų | 125 | 108 Ų | 108 | 58% | 0.584 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.8 | -39.7 | 175.7 | -81.2 | -177 | 163.5 | 0 | 0 | 112.5 | N579 E585 L587 | N579-E583 PolarHBondContact O-N 2.92Å; N579-E583 VanDerWaalsContact O-N 3.1Å; E583-E585 PolarHBondContact O-N 3.01Å; E583-L587 WeakPolarHBondContact O-CG 3.4Å; E583-L587 PolarHBondContact O-N 3.29Å |
| 584 | S | 70.4 | Confident | 73.7 | Confident | 72 Ų | 72 | 108.4 Ų | 108.4 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 176.9 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | L580 V581 M582 K588 | L580-S584 PolarHBondContact O-N 2.85Å; V581-S584 PolarHBondContact O-N 3.08Å; M582-S584 VanDerWaalsContact C-N 3.32Å; M582-S584 PolarHBondContact O-N 3.36Å; S584-K588 PolarHBondContact O-N 2.96Å |
| 585 | E | 77 | Confident | 74.7 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -75.3 | -33.4 | -176.5 | -145 | 61.5 | -159.8 | 0 | 0 | 112.1 | V581 M582 E583 K588 I589 | V581-E585 PolarHBondContact O-N 2.8Å; M582-E585 PolarHBondContact O-N 3.05Å; E583-E585 PolarHBondContact O-N 3.01Å; E585-K588 PolarHBondContact O-N 3.19Å; E585-K588 IonicContact OE1-NZ 2.97Å; E585-K588 PolarHBondContact OE1-NZ 2.8Å; E585-I589 WeakPolarHBondContact O-CG1 3.45Å; E585-I589 PolarHBondContact O-N 2.97Å |
| 586 | I | 76 | Confident | 75.5 | Confident | 99 Ų | 99 | 101.9 Ų | 101.9 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 172.3 | -67.8 | 169.1 | 0 | 0 | 0 | 110.6 | M582 K588 I589 D590 | M582-I586 WeakPolarHBondContact O-CG1 3.44Å; M582-I586 PolarHBondContact O-N 3.24Å; M582-I586 VanDerWaalsContact O-N 3.16Å; I586-K588 PolarHBondContact O-N 3.49Å; I586-I589 PolarHBondContact O-N 3.5Å; I586-D590 PolarHBondContact O-N 2.91Å |
| 587 | L | 78.2 | Confident | 76.3 | Confident | 113 Ų | 113 | 103.5 Ų | 103.5 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.6 | -30 | 179.3 | -75 | 171.3 | 0 | 0 | 0 | 113.4 | E583 R591 | E583-L587 WeakPolarHBondContact O-CG 3.4Å; E583-L587 PolarHBondContact O-N 3.29Å; L587-R591 PolarHBondContact O-N 3.46Å |
| 588 | K | 77.9 | Confident | 77.3 | Confident | 126 Ų | 126 | 104.7 Ų | 104.7 | 55% | 0.548 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.2 | -43 | 177.9 | -167.8 | 179.3 | 170.6 | -165.6 | 0 | 111.5 | S584 E585 I586 R591 E592 | S584-K588 PolarHBondContact O-N 2.96Å; E585-K588 PolarHBondContact O-N 3.19Å; E585-K588 IonicContact OE1-NZ 2.97Å; E585-K588 PolarHBondContact OE1-NZ 2.8Å; I586-K588 PolarHBondContact O-N 3.49Å; K588-R591 PolarHBondContact O-N 2.85Å; K588-E592 PolarHBondContact O-N 3.18Å |
| 589 | I | 76.8 | Confident | 78.1 | Confident | 91 Ų | 91 | 108.1 Ų | 108.1 | 47% | 0.467 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.9 | -66.9 | 168.6 | 0 | 0 | 0 | 110.7 | E585 I586 R591 E592 N593 | E585-I589 WeakPolarHBondContact O-CG1 3.45Å; E585-I589 PolarHBondContact O-N 2.97Å; I586-I589 PolarHBondContact O-N 3.5Å; I589-R591 VanDerWaalsContact C-N 3.34Å; I589-R591 PolarHBondContact O-N 3.31Å; I589-E592 PolarHBondContact O-N 2.8Å; I589-N593 PolarHBondContact O-N 3.41Å; I589-N593 PolarHBondContact O-ND2 3.47Å |
| 590 | D | 79.6 | Confident | 78.7 | Confident | 94 Ų | 94 | 110.5 Ų | 110.5 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 178.4 | -76.7 | -18 | 0 | 0 | 0 | 112.7 | I586 L594 | I586-D590 PolarHBondContact O-N 2.91Å; D590-L594 PolarHBondContact O-N 2.88Å; D590-L594 VanDerWaalsContact O-N 3.08Å |
| 591 | R | 80.3 | Confident | 79.3 | Confident | 201 Ų | 201 | 108.7 Ų | 108.7 | 76% | 0.758 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | 174.4 | -85.6 | -177.2 | 175 | 167.8 | 0.4 | 112.5 | L587 K588 I589 L594 V595 | L587-R591 PolarHBondContact O-N 3.46Å; K588-R591 PolarHBondContact O-N 2.85Å; I589-R591 VanDerWaalsContact C-N 3.34Å; I589-R591 PolarHBondContact O-N 3.31Å; R591-L594 PolarHBondContact O-N 3.33Å; R591-V595 WeakPolarHBondContact O-CG2 3.26Å; R591-V595 PolarHBondContact O-N 3.32Å |
| 592 | E | 81.8 | Confident | 80.2 | Confident | 129 Ų | 129 | 109.8 Ų | 109.8 | 60% | 0.603 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.9 | -40.7 | -179.5 | -166.4 | 168.1 | -165.6 | 0 | 0 | 111.7 | K588 I589 L594 V595 N596 | K588-E592 PolarHBondContact O-N 3.18Å; I589-E592 PolarHBondContact O-N 2.8Å; E592-L594 PolarHBondContact O-N 3.34Å; E592-V595 PolarHBondContact O-N 2.9Å; E592-N596 PolarHBondContact O-N 3.24Å; E592-N596 VanDerWaalsContact O-N 3.13Å; E592-N596 PolarHBondContact O-ND2 3.36Å |
| 593 | N | 84.9 | Confident | 80.9 | Confident | 92 Ų | 92 | 109.3 Ų | 109.3 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 174.6 | -74.3 | -26 | 0 | 0 | 0 | 112.5 | I589 V595 N596 L597 | I589-N593 PolarHBondContact O-N 3.41Å; I589-N593 PolarHBondContact O-ND2 3.47Å; N593-V595 PolarHBondContact O-N 3.47Å; N593-N596 PolarHBondContact O-N 2.9Å; N593-L597 WeakPolarHBondContact O-CB 3.38Å; N593-L597 PolarHBondContact O-N 2.88Å |
| 594 | L | 84.6 | Confident | 81.6 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 178 | -174.6 | 65.4 | 0 | 0 | 0 | 112.2 | D590 R591 E592 L597 N598 | D590-L594 PolarHBondContact O-N 2.88Å; D590-L594 VanDerWaalsContact O-N 3.08Å; R591-L594 PolarHBondContact O-N 3.33Å; E592-L594 PolarHBondContact O-N 3.34Å; L594-L597 PolarHBondContact O-N 2.87Å; L594-N598 PolarHBondContact O-N 3.45Å; L594-N598 VanDerWaalsContact O-N 3.1Å |
| 595 | V | 84.1 | Confident | 82.4 | Confident | 84 Ų | 84 | 109.4 Ų | 109.4 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | R591 E592 N593 N598 R599 | R591-V595 WeakPolarHBondContact O-CG2 3.26Å; R591-V595 PolarHBondContact O-N 3.32Å; E592-V595 PolarHBondContact O-N 2.9Å; N593-V595 PolarHBondContact O-N 3.47Å; V595-N598 PolarHBondContact O-N 3.17Å; V595-R599 PolarHBondContact O-N 2.65Å; V595-R599 VanDerWaalsContact O-N 3.13Å |
| 596 | N | 83.5 | Confident | 82.8 | Confident | 80 Ų | 80 | 110.2 Ų | 110.2 | 43% | 0.428 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 178.2 | -76.1 | -29.8 | 0 | 0 | 0 | 112.4 | E592 N593 R599 K600 | E592-N596 PolarHBondContact O-N 3.24Å; E592-N596 VanDerWaalsContact O-N 3.13Å; E592-N596 PolarHBondContact O-ND2 3.36Å; N593-N596 PolarHBondContact O-N 2.9Å; N596-R599 PolarHBondContact O-N 3.07Å; N596-K600 PolarHBondContact O-N 3.08Å |
| 597 | L | 81.8 | Confident | 83.2 | Confident | 109 Ų | 109 | 110 Ų | 110 | 57% | 0.571 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | 176.8 | -168.7 | 68.1 | 0 | 0 | 0 | 111.5 | N593 L594 R599 K600 V601 | N593-L597 WeakPolarHBondContact O-CB 3.38Å; N593-L597 PolarHBondContact O-N 2.88Å; L594-L597 PolarHBondContact O-N 2.87Å; L597-R599 VanDerWaalsContact C-N 3.32Å; L597-R599 PolarHBondContact O-N 2.89Å; L597-K600 PolarHBondContact O-N 3.5Å; L597-K600 VanDerWaalsContact O-N 3.17Å; L597-V601 WeakPolarHBondContact O-CG2 3.37Å; L597-V601 PolarHBondContact O-N 2.88Å |
| 598 | N | 85.1 | Confident | 83.5 | Confident | 100 Ų | 100 | 110.2 Ų | 110.2 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 177.5 | -77.5 | -20.6 | 0 | 0 | 0 | 112.6 | L594 V595 K600 V601 F602 | L594-N598 PolarHBondContact O-N 3.45Å; L594-N598 VanDerWaalsContact O-N 3.1Å; V595-N598 PolarHBondContact O-N 3.17Å; N598-K600 PolarHBondContact O-N 3.39Å; N598-V601 PolarHBondContact O-N 3.44Å; N598-F602 PolarHBondContact O-N 2.98Å; N598-F602 VanDerWaalsContact O-N 3.14Å |
| 599 | R | 86.2 | Confident | 83.9 | Confident | 146 Ų | 146 | 109.3 Ų | 109.3 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -43.6 | 174.8 | -171.9 | -178.7 | -65.2 | 147 | 1.9 | 111.6 | V595 N596 L597 F602 E603 | V595-R599 PolarHBondContact O-N 2.65Å; V595-R599 VanDerWaalsContact O-N 3.13Å; N596-R599 PolarHBondContact O-N 3.07Å; L597-R599 VanDerWaalsContact C-N 3.32Å; L597-R599 PolarHBondContact O-N 2.89Å; R599-F602 PolarHBondContact O-N 3.42Å; R599-E603 PolarHBondContact O-N 3.11Å; R599-E603 VanDerWaalsContact O-N 3.16Å |
| 600 | K | 84.1 | Confident | 84.4 | Confident | 134 Ų | 134 | 111 Ų | 111 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65 | -40 | 179.3 | -165.1 | 110.3 | -175.8 | 178 | 0 | 112.4 | N596 L597 N598 E603 L604 | N596-K600 PolarHBondContact O-N 3.08Å; L597-K600 PolarHBondContact O-N 3.5Å; L597-K600 VanDerWaalsContact O-N 3.17Å; N598-K600 PolarHBondContact O-N 3.39Å; K600-E603 PolarHBondContact O-N 3.32Å; K600-L604 WeakPolarHBondContact O-CG 3.49Å; K600-L604 PolarHBondContact O-N 3.35Å |
| 601 | V | 82.6 | Confident | 84.7 | Confident | 68 Ų | 68 | 113 Ų | 113 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L597 N598 E603 L604 E605 | L597-V601 WeakPolarHBondContact O-CG2 3.37Å; L597-V601 PolarHBondContact O-N 2.88Å; N598-V601 PolarHBondContact O-N 3.44Å; V601-E603 PolarHBondContact O-N 3.09Å; V601-L604 PolarHBondContact O-N 3.44Å; V601-E605 HydrophobicContact CG1-CG 4.49Å; V601-E605 WeakPolarHBondContact O-CG 3.46Å; V601-E605 PolarHBondContact O-N 3.03Å |
| 602 | F | 87.4 | Confident | 84.9 | Confident | 123 Ų | 123 | 108.7 Ų | 108.7 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 178.7 | -177.8 | -98.9 | 0 | 0 | 0 | 113.2 | N598 R599 E605 K606 | N598-F602 PolarHBondContact O-N 2.98Å; N598-F602 VanDerWaalsContact O-N 3.14Å; R599-F602 PolarHBondContact O-N 3.42Å; F602-E605 PolarHBondContact O-N 2.78Å; F602-K606 HydrophobicContact CE1-CG 4.24Å; F602-K606 HydrophobicContact CZ-CG 4.38Å; F602-K606 PolarHBondContact O-N 2.92Å; F602-K606 VanDerWaalsContact O-N 3.15Å |
| 603 | E | 87.2 | Confident | 85 | Confident | 113 Ų | 113 | 109.3 Ų | 109.3 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.3 | -73.5 | 174.5 | -179.7 | 0 | 0 | 112 | R599 K600 V601 K606 E607 | R599-E603 PolarHBondContact O-N 3.11Å; R599-E603 VanDerWaalsContact O-N 3.16Å; K600-E603 PolarHBondContact O-N 3.32Å; V601-E603 PolarHBondContact O-N 3.09Å; E603-K606 PolarHBondContact O-N 3.27Å; E603-E607 PolarHBondContact O-N 2.89Å; E603-E607 VanDerWaalsContact O-N 3.1Å |
| 604 | L | 85.1 | Confident | 85.1 | Confident | 91 Ų | 91 | 108.9 Ų | 108.9 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -38.1 | 177.5 | -72.3 | 170 | 0 | 0 | 0 | 112.4 | K600 V601 K606 E607 I608 | K600-L604 WeakPolarHBondContact O-CG 3.49Å; K600-L604 PolarHBondContact O-N 3.35Å; V601-L604 PolarHBondContact O-N 3.44Å; L604-K606 VanDerWaalsContact C-N 3.33Å; L604-K606 PolarHBondContact O-N 3.12Å; L604-E607 PolarHBondContact O-N 3.13Å; L604-I608 WeakPolarHBondContact O-CG1 3.44Å; L604-I608 PolarHBondContact O-N 3.46Å |
| 605 | E | 85.8 | Confident | 85.1 | Confident | 109 Ų | 109 | 108.1 Ų | 108.1 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 174.7 | -73.6 | 175 | 161.3 | 0 | 0 | 111.4 | V601 F602 E607 I608 E609 | V601-E605 HydrophobicContact CG1-CG 4.49Å; V601-E605 WeakPolarHBondContact O-CG 3.46Å; V601-E605 PolarHBondContact O-N 3.03Å; F602-E605 PolarHBondContact O-N 2.78Å; E605-E607 VanDerWaalsContact C-N 3.35Å; E605-E607 PolarHBondContact O-N 3.33Å; E605-I608 PolarHBondContact O-N 2.86Å; E605-E609 PolarHBondContact O-N 3.37Å |
| 606 | K | 86.9 | Confident | 85.3 | Confident | 109 Ų | 109 | 108 Ų | 108 | 47% | 0.474 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.4 | -77.7 | -75.7 | 159 | -146.1 | 0 | 112.8 | F602 E603 L604 E609 F610 | F602-K606 HydrophobicContact CE1-CG 4.24Å; F602-K606 HydrophobicContact CZ-CG 4.38Å; F602-K606 PolarHBondContact O-N 2.92Å; F602-K606 VanDerWaalsContact O-N 3.15Å; E603-K606 PolarHBondContact O-N 3.27Å; L604-K606 VanDerWaalsContact C-N 3.33Å; L604-K606 PolarHBondContact O-N 3.12Å; K606-E609 IonicContact NZ-OE2 3.01Å; K606-E609 PolarHBondContact NZ-OE2 2.85Å; K606-F610 PolarHBondContact O-N 3.28Å |
| 607 | E | 84.2 | Confident | 85.4 | Confident | 94 Ų | 94 | 107.2 Ų | 107.2 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 177.9 | -148.5 | -172.5 | 158.2 | 0 | 0 | 111.5 | E603 L604 E605 F610 Y611 | E603-E607 PolarHBondContact O-N 2.89Å; E603-E607 VanDerWaalsContact O-N 3.1Å; L604-E607 PolarHBondContact O-N 3.13Å; E605-E607 VanDerWaalsContact C-N 3.35Å; E605-E607 PolarHBondContact O-N 3.33Å; E607-F610 PolarHBondContact O-N 2.83Å; E607-Y611 HydrophobicContact CG-CD2 4.22Å; E607-Y611 HydrophobicContact CG-CE2 3.63Å; E607-Y611 WeakPolarHBondContact O-CD2 3.33Å; E607-Y611 PolarHBondContact O-N 3.34Å; E607-Y611 WeakPolarHBondContact OE1-CE2 3.31Å; E607-Y611 PolarHBondContact OE1-OH 2.89Å; E607-Y611 VanDerWaalsContact OE1-OH 3.07Å |
| 608 | I | 84.5 | Confident | 85.5 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 61% | 0.61 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 176.4 | -68.7 | 168.1 | 0 | 0 | 0 | 111.3 | L604 E605 F610 Y611 H612 | L604-I608 WeakPolarHBondContact O-CG1 3.44Å; L604-I608 PolarHBondContact O-N 3.46Å; E605-I608 PolarHBondContact O-N 2.86Å; I608-F610 VanDerWaalsContact C-N 3.29Å; I608-F610 PolarHBondContact O-N 3.26Å; I608-Y611 PolarHBondContact O-N 3.47Å; I608-H612 PolarHBondContact O-N 2.91Å |
| 609 | E | 85.6 | Confident | 85.5 | Confident | 106 Ų | 106 | 110 Ų | 110 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.1 | -44.4 | 175 | -77.8 | -179.1 | 163 | 0 | 0 | 111.6 | E605 K606 H612 M613 | E605-E609 PolarHBondContact O-N 3.37Å; K606-E609 IonicContact NZ-OE2 3.01Å; K606-E609 PolarHBondContact NZ-OE2 2.85Å; E609-H612 PolarHBondContact O-N 3.08Å; E609-M613 PolarHBondContact O-N 3.18Å |
| 610 | F | 88.3 | Confident | 85.5 | Confident | 126 Ų | 126 | 105.2 Ų | 105.2 | 55% | 0.553 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -46.9 | 179.2 | 179.2 | -98.7 | 0 | 0 | 0 | 112.3 | K606 E607 I608 H612 M613 N614 | K606-F610 PolarHBondContact O-N 3.28Å; E607-F610 PolarHBondContact O-N 2.83Å; I608-F610 VanDerWaalsContact C-N 3.29Å; I608-F610 PolarHBondContact O-N 3.26Å; F610-H612 VanDerWaalsContact C-N 3.27Å; F610-H612 PolarHBondContact O-N 3.39Å; F610-M613 PolarHBondContact O-N 2.84Å; F610-N614 PolarHBondContact O-N 2.94Å; F610-N614 VanDerWaalsContact O-N 3.1Å |
| 611 | Y | 84.7 | Confident | 85.5 | Confident | 137 Ų | 137 | 101.8 Ų | 101.8 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 176.7 | -74.2 | -62.6 | 0 | 0 | 0 | 112 | E607 I608 N614 E615 | E607-Y611 HydrophobicContact CG-CD2 4.22Å; E607-Y611 HydrophobicContact CG-CE2 3.63Å; E607-Y611 WeakPolarHBondContact O-CD2 3.33Å; E607-Y611 PolarHBondContact O-N 3.34Å; E607-Y611 WeakPolarHBondContact OE1-CE2 3.31Å; E607-Y611 PolarHBondContact OE1-OH 2.89Å; E607-Y611 VanDerWaalsContact OE1-OH 3.07Å; I608-Y611 PolarHBondContact O-N 3.47Å; Y611-N614 PolarHBondContact O-N 2.76Å; Y611-E615 WeakPolarHBondContact O-CB 3.34Å; Y611-E615 PolarHBondContact O-N 2.97Å |
| 612 | H | 84.2 | Confident | 85.6 | Confident | 110 Ų | 110 | 103.7 Ų | 103.7 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 179.7 | -152.4 | 54.7 | 0 | 0 | 0 | 112.7 | I608 E609 F610 N614 E615 N616 | I608-H612 PolarHBondContact O-N 2.91Å; E609-H612 PolarHBondContact O-N 3.08Å; F610-H612 VanDerWaalsContact C-N 3.27Å; F610-H612 PolarHBondContact O-N 3.39Å; H612-N614 VanDerWaalsContact C-N 3.33Å; H612-E615 IonicContact ND1-OE2 3.38Å; H612-N616 PolarHBondContact O-N 3.39Å; H612-N616 PolarHBondContact O-ND2 3.4Å; H612-N616 VanDerWaalsContact O-ND2 3.09Å |
| 613 | M | 85.5 | Confident | 85.6 | Confident | 142 Ų | 142 | 104.8 Ų | 104.8 | 70% | 0.7 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.1 | -43.2 | 171.1 | -74.1 | -177.7 | 66 | 0 | 0 | 111.8 | E609 F610 N616 A617 | E609-M613 PolarHBondContact O-N 3.18Å; F610-M613 PolarHBondContact O-N 2.84Å; M613-N616 PolarHBondContact O-N 2.97Å; M613-A617 PolarHBondContact O-N 3.46Å; M613-A617 VanDerWaalsContact O-N 3.12Å |
| 614 | N | 85.5 | Confident | 85.5 | Confident | 84 Ų | 84 | 106.9 Ų | 106.9 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | -178 | -144.8 | 21 | 0 | 0 | 0 | 111.9 | F610 Y611 H612 N616 A617 L618 | F610-N614 PolarHBondContact O-N 2.94Å; F610-N614 VanDerWaalsContact O-N 3.1Å; Y611-N614 PolarHBondContact O-N 2.76Å; H612-N614 VanDerWaalsContact C-N 3.33Å; N614-N616 VanDerWaalsContact C-N 3.35Å; N614-N616 PolarHBondContact O-N 2.9Å; N614-A617 PolarHBondContact O-N 3.31Å; N614-L618 WeakPolarHBondContact O-CG 3.45Å; N614-L618 PolarHBondContact O-N 2.92Å |
| 615 | E | 85.4 | Confident | 85.2 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 173.6 | -166.7 | -161.6 | 152.4 | 0 | 0 | 111.7 | Y611 H612 A617 L618 R619 | Y611-E615 WeakPolarHBondContact O-CB 3.34Å; Y611-E615 PolarHBondContact O-N 2.97Å; H612-E615 IonicContact ND1-OE2 3.38Å; E615-A617 PolarHBondContact O-N 3.28Å; E615-L618 PolarHBondContact O-N 3.24Å; E615-R619 WeakPolarHBondContact O-CB 3.5Å; E615-R619 PolarHBondContact O-N 3.35Å; E615-R619 IonicContact OE1-CZ 3.41Å; E615-R619 IonicContact OE1-NH2 2.73Å; E615-R619 PolarHBondContact OE1-NH2 2.81Å |
| 616 | N | 87.9 | Confident | 85.2 | Confident | 82 Ų | 82 | 106.4 Ų | 106.4 | 44% | 0.439 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 178.6 | -76.7 | -41.1 | 0 | 0 | 0 | 112.4 | H612 M613 N614 R619 G620 | H612-N616 PolarHBondContact O-N 3.39Å; H612-N616 PolarHBondContact O-ND2 3.4Å; H612-N616 VanDerWaalsContact O-ND2 3.09Å; M613-N616 PolarHBondContact O-N 2.97Å; N614-N616 VanDerWaalsContact C-N 3.35Å; N614-N616 PolarHBondContact O-N 2.9Å; N616-R619 PolarHBondContact O-N 2.92Å; N616-G620 PolarHBondContact O-N 3.3Å |
| 617 | A | 85.9 | Confident | 85 | Confident | 64 Ų | 64 | 104.4 Ų | 104.4 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M613 N614 E615 R619 G620 A621 | M613-A617 PolarHBondContact O-N 3.46Å; M613-A617 VanDerWaalsContact O-N 3.12Å; N614-A617 PolarHBondContact O-N 3.31Å; E615-A617 PolarHBondContact O-N 3.28Å; A617-R619 PolarHBondContact O-N 3.22Å; A617-G620 PolarHBondContact O-N 3.19Å; A617-A621 PolarHBondContact O-N 3.44Å |
| 618 | L | 83.9 | Confident | 85.1 | Confident | 117 Ų | 117 | 105.6 Ų | 105.6 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -41.4 | 176.2 | -73.1 | 170.6 | 0 | 0 | 0 | 112 | N614 E615 G620 A621 L622 | N614-L618 WeakPolarHBondContact O-CG 3.45Å; N614-L618 PolarHBondContact O-N 2.92Å; E615-L618 PolarHBondContact O-N 3.24Å; L618-G620 VanDerWaalsContact C-N 3.32Å; L618-G620 PolarHBondContact O-N 3.44Å; L618-A621 PolarHBondContact O-N 3.36Å; L618-L622 PolarHBondContact O-N 3.46Å |
| 619 | R | 85.2 | Confident | 85 | Confident | 151 Ų | 151 | 105.2 Ų | 105.2 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.8 | -40.4 | 176.5 | -165.6 | -177.4 | -66 | -151 | 2.1 | 111.8 | E615 N616 A617 K623 | E615-R619 WeakPolarHBondContact O-CB 3.5Å; E615-R619 PolarHBondContact O-N 3.35Å; E615-R619 IonicContact OE1-CZ 3.41Å; E615-R619 IonicContact OE1-NH2 2.73Å; E615-R619 PolarHBondContact OE1-NH2 2.81Å; N616-R619 PolarHBondContact O-N 2.92Å; A617-R619 PolarHBondContact O-N 3.22Å; R619-K623 PolarHBondContact O-N 2.86Å |
| 620 | G | 86.9 | Confident | 85 | Confident | 45 Ų | 45 | 106 Ų | 106 | 46% | 0.464 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N616 A617 L618 K623 K624 | N616-G620 PolarHBondContact O-N 3.3Å; A617-G620 PolarHBondContact O-N 3.19Å; L618-G620 VanDerWaalsContact C-N 3.32Å; L618-G620 PolarHBondContact O-N 3.44Å; G620-K623 PolarHBondContact O-N 2.88Å; G620-K624 PolarHBondContact O-N 2.77Å |
| 621 | A | 83.9 | Confident | 84.9 | Confident | 61 Ų | 61 | 106.6 Ų | 106.6 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A617 L618 K623 K624 C625 | A617-A621 PolarHBondContact O-N 3.44Å; L618-A621 PolarHBondContact O-N 3.36Å; A621-K623 PolarHBondContact O-N 3.47Å; A621-K624 PolarHBondContact O-N 3.35Å; A621-C625 PolarHBondContact O-N 3.46Å |
| 622 | L | 84.6 | Confident | 84.8 | Confident | 108 Ų | 108 | 104.7 Ų | 104.7 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.9 | -46.3 | 176.9 | -170.7 | 79.3 | 0 | 0 | 0 | 111.5 | L618 K624 C625 Q626 | L618-L622 PolarHBondContact O-N 3.46Å; L622-K624 VanDerWaalsContact C-N 3.34Å; L622-K624 PolarHBondContact O-N 2.91Å; L622-C625 WeakPolarHBondContact O-CB 3.38Å; L622-C625 PolarHBondContact O-N 2.92Å; L622-C625 VanDerWaalsContact O-N 3.17Å; L622-Q626 WeakPolarHBondContact O-CG 3.4Å; L622-Q626 PolarHBondContact O-N 2.75Å |
| 623 | K | 86.2 | Confident | 84.8 | Confident | 147 Ų | 147 | 104.3 Ų | 104.3 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.2 | -38.3 | -179 | -158.2 | 172.7 | -173.5 | 178.6 | 0 | 112.2 | R619 G620 A621 Q626 T627 | R619-K623 PolarHBondContact O-N 2.86Å; G620-K623 PolarHBondContact O-N 2.88Å; A621-K623 PolarHBondContact O-N 3.47Å; K623-Q626 PolarHBondContact O-N 2.94Å; K623-T627 PolarHBondContact O-N 3.31Å; K623-T627 PolarHBondContact O-OG1 3.41Å |
| 624 | K | 85.9 | Confident | 84.7 | Confident | 157 Ų | 157 | 103.2 Ų | 103.2 | 68% | 0.683 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63 | -42.6 | 173.8 | -169.2 | 177.6 | -179.2 | -178.8 | 0 | 111.5 | G620 A621 L622 T627 Q628 | G620-K624 PolarHBondContact O-N 2.77Å; A621-K624 PolarHBondContact O-N 3.35Å; L622-K624 VanDerWaalsContact C-N 3.34Å; L622-K624 PolarHBondContact O-N 2.91Å; K624-T627 PolarHBondContact O-N 2.99Å; K624-Q628 PolarHBondContact O-N 2.9Å |
| 625 | C | 79 | Confident | 84.6 | Confident | 83 Ų | 83 | 103.8 Ų | 103.8 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 177.8 | -149.2 | 0 | 0 | 0 | 0 | 111.8 | A621 L622 Q628 N629 | A621-C625 PolarHBondContact O-N 3.46Å; L622-C625 WeakPolarHBondContact O-CB 3.38Å; L622-C625 PolarHBondContact O-N 2.92Å; L622-C625 VanDerWaalsContact O-N 3.17Å; C625-Q628 PolarHBondContact O-N 3.4Å; C625-N629 WeakPolarHBondContact O-CB 3.29Å; C625-N629 PolarHBondContact O-N 2.86Å |
| 626 | Q | 84.4 | Confident | 84.4 | Confident | 106 Ų | 106 | 103.5 Ų | 103.5 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 174.4 | -74.5 | 174.9 | -30.9 | 0 | 0 | 112 | L622 K623 Q628 N629 E630 | L622-Q626 WeakPolarHBondContact O-CG 3.4Å; L622-Q626 PolarHBondContact O-N 2.75Å; K623-Q626 PolarHBondContact O-N 2.94Å; Q626-Q628 VanDerWaalsContact C-N 3.27Å; Q626-Q628 PolarHBondContact O-N 2.86Å; Q626-N629 WeakPolarHBondContact O-CB 3.5Å; Q626-N629 PolarHBondContact O-N 3.24Å; Q626-N629 VanDerWaalsContact O-N 3.1Å; Q626-E630 WeakPolarHBondContact O-CG 3.46Å; Q626-E630 PolarHBondContact O-N 2.92Å |
| 627 | T | 83.9 | Confident | 84.2 | Confident | 67 Ų | 67 | 103.4 Ų | 103.4 | 41% | 0.411 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 179.2 | -44.4 | 0 | 0 | 0 | 0 | 111.7 | K623 K624 K631 | K623-T627 PolarHBondContact O-N 3.31Å; K623-T627 PolarHBondContact O-OG1 3.41Å; K624-T627 PolarHBondContact O-N 2.99Å; T627-K631 WeakPolarHBondContact O-CG 3.49Å; T627-K631 PolarHBondContact O-N 2.69Å |
| 628 | Q | 85.6 | Confident | 84.1 | Confident | 119 Ų | 119 | 103.9 Ų | 103.9 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69 | -37.2 | 176.6 | -173.2 | 170.7 | -11.5 | 0 | 0 | 111.9 | K624 C625 Q626 K631 L632 | K624-Q628 PolarHBondContact O-N 2.9Å; C625-Q628 PolarHBondContact O-N 3.4Å; Q626-Q628 VanDerWaalsContact C-N 3.27Å; Q626-Q628 PolarHBondContact O-N 2.86Å; Q628-K631 PolarHBondContact O-N 3.16Å; Q628-L632 WeakPolarHBondContact O-CG 3.45Å; Q628-L632 PolarHBondContact O-N 3.07Å |
| 629 | N | 83.6 | Confident | 84.1 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 59% | 0.594 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.6 | -40 | 177.6 | -150.7 | 25.3 | 0 | 0 | 0 | 111.8 | C625 Q626 K631 L632 Q633 | C625-N629 WeakPolarHBondContact O-CB 3.29Å; C625-N629 PolarHBondContact O-N 2.86Å; Q626-N629 WeakPolarHBondContact O-CB 3.5Å; Q626-N629 PolarHBondContact O-N 3.24Å; Q626-N629 VanDerWaalsContact O-N 3.1Å; N629-K631 PolarHBondContact O-N 3.05Å; N629-L632 PolarHBondContact O-N 3.49Å; N629-Q633 PolarHBondContact O-N 3.35Å |
| 630 | E | 84.2 | Confident | 83.8 | Confident | 124 Ų | 124 | 100.7 Ų | 100.7 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.6 | -42.8 | 173.2 | -71.7 | 171.1 | -176.3 | 0 | 0 | 111.9 | Q626 L632 Q633 I634 | Q626-E630 WeakPolarHBondContact O-CG 3.46Å; Q626-E630 PolarHBondContact O-N 2.92Å; E630-L632 PolarHBondContact O-N 3.38Å; E630-Q633 PolarHBondContact O-N 2.9Å; E630-I634 WeakPolarHBondContact O-CG1 3.33Å; E630-I634 PolarHBondContact O-N 2.88Å |
| 631 | K | 86.6 | Confident | 83.5 | Confident | 138 Ų | 138 | 102.8 Ų | 102.8 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -43.7 | 174.7 | -73.7 | -178.5 | 179.5 | -171.5 | 0 | 112.2 | T627 Q628 N629 Q633 I634 I635 | T627-K631 WeakPolarHBondContact O-CG 3.49Å; T627-K631 PolarHBondContact O-N 2.69Å; Q628-K631 PolarHBondContact O-N 3.16Å; N629-K631 PolarHBondContact O-N 3.05Å; K631-Q633 VanDerWaalsContact C-N 3.33Å; K631-I634 PolarHBondContact O-N 2.94Å; K631-I635 VanDerWaalsContact O-CG1 3.3Å; K631-I635 WeakPolarHBondContact O-CG1 3.43Å; K631-I635 PolarHBondContact O-N 3.37Å; K631-I635 VanDerWaalsContact O-N 3.1Å |
| 632 | L | 83 | Confident | 83.2 | Confident | 97 Ų | 97 | 104.7 Ų | 104.7 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 177.2 | -73.5 | 171.5 | 0 | 0 | 0 | 111.5 | Q628 N629 E630 I635 N636 | Q628-L632 WeakPolarHBondContact O-CG 3.45Å; Q628-L632 PolarHBondContact O-N 3.07Å; N629-L632 PolarHBondContact O-N 3.49Å; E630-L632 PolarHBondContact O-N 3.38Å; L632-I635 PolarHBondContact O-N 3.43Å; L632-N636 WeakPolarHBondContact O-CB 3.41Å; L632-N636 PolarHBondContact O-N 2.9Å |
| 633 | Q | 83.6 | Confident | 82.9 | Confident | 101 Ų | 101 | 104.9 Ų | 104.9 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 176.3 | -172.2 | 62.3 | 33.8 | 0 | 0 | 111.6 | N629 E630 K631 I635 N636 D637 | N629-Q633 PolarHBondContact O-N 3.35Å; E630-Q633 PolarHBondContact O-N 2.9Å; K631-Q633 VanDerWaalsContact C-N 3.33Å; Q633-I635 VanDerWaalsContact C-N 3.32Å; Q633-I635 PolarHBondContact O-N 3.37Å; Q633-N636 PolarHBondContact O-N 3.25Å; Q633-N636 VanDerWaalsContact O-N 3.15Å; Q633-D637 PolarHBondContact NE2-OD1 2.84Å; Q633-D637 PolarHBondContact NE2-OD2 2.91Å; Q633-D637 VanDerWaalsContact O-CG 3.26Å; Q633-D637 PolarHBondContact O-N 2.82Å |
| 634 | I | 84.3 | Confident | 82.4 | Confident | 120 Ų | 120 | 102.3 Ų | 102.3 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.5 | -43.5 | 177.4 | -66.6 | 166.8 | 0 | 0 | 0 | 111.2 | E630 K631 N636 D637 S638 | E630-I634 WeakPolarHBondContact O-CG1 3.33Å; E630-I634 PolarHBondContact O-N 2.88Å; K631-I634 PolarHBondContact O-N 2.94Å; I634-N636 VanDerWaalsContact C-N 3.33Å; I634-N636 PolarHBondContact O-N 2.88Å; I634-D637 PolarHBondContact O-N 3.09Å; I634-S638 WeakPolarHBondContact O-CB 3.35Å; I634-S638 PolarHBondContact O-N 3.39Å |
| 635 | I | 83.7 | Confident | 82 | Confident | 95 Ų | 95 | 97.7 Ų | 97.7 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 177.4 | -68.3 | 165.9 | 0 | 0 | 0 | 110.6 | K631 L632 Q633 S638 L639 | K631-I635 VanDerWaalsContact O-CG1 3.3Å; K631-I635 WeakPolarHBondContact O-CG1 3.43Å; K631-I635 PolarHBondContact O-N 3.37Å; K631-I635 VanDerWaalsContact O-N 3.1Å; L632-I635 PolarHBondContact O-N 3.43Å; Q633-I635 VanDerWaalsContact C-N 3.32Å; Q633-I635 PolarHBondContact O-N 3.37Å; I635-S638 WeakPolarHBondContact O-CB 3.47Å; I635-S638 PolarHBondContact O-N 3.46Å; I635-L639 HydrophobicContact CG2-CD1 4.04Å; I635-L639 PolarHBondContact O-N 2.75Å |
| 636 | N | 80.6 | Confident | 81.8 | Confident | 81 Ų | 81 | 99 Ų | 99 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | -178.7 | -140.6 | 19.8 | 0 | 0 | 0 | 111.7 | L632 Q633 I634 S638 L639 H640 | L632-N636 WeakPolarHBondContact O-CB 3.41Å; L632-N636 PolarHBondContact O-N 2.9Å; Q633-N636 PolarHBondContact O-N 3.25Å; Q633-N636 VanDerWaalsContact O-N 3.15Å; I634-N636 VanDerWaalsContact C-N 3.33Å; I634-N636 PolarHBondContact O-N 2.88Å; N636-S638 VanDerWaalsContact C-N 3.33Å; N636-S638 PolarHBondContact O-N 3.48Å; N636-L639 PolarHBondContact O-N 3.45Å; N636-H640 PolarHBondContact O-N 2.85Å |
| 637 | D | 84.3 | Confident | 81.2 | Confident | 79 Ų | 79 | 97 Ų | 97 | 42% | 0.422 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 176.2 | -66.1 | -20.9 | 0 | 0 | 0 | 111.3 | Q633 I634 T641 | Q633-D637 PolarHBondContact NE2-OD1 2.84Å; Q633-D637 PolarHBondContact NE2-OD2 2.91Å; Q633-D637 VanDerWaalsContact O-CG 3.26Å; Q633-D637 PolarHBondContact O-N 2.82Å; I634-D637 PolarHBondContact O-N 3.09Å; D637-T641 PolarHBondContact O-N 3.38Å; D637-T641 PolarHBondContact O-OG1 3.37Å |
| 638 | S | 83.7 | Confident | 80.7 | Confident | 74 Ų | 74 | 101.8 Ų | 101.8 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 172.8 | -175 | 0 | 0 | 0 | 0 | 112.1 | I634 I635 N636 H640 T641 Q642 | I634-S638 WeakPolarHBondContact O-CB 3.35Å; I634-S638 PolarHBondContact O-N 3.39Å; I635-S638 WeakPolarHBondContact O-CB 3.47Å; I635-S638 PolarHBondContact O-N 3.46Å; N636-S638 VanDerWaalsContact C-N 3.33Å; N636-S638 PolarHBondContact O-N 3.48Å; S638-H640 VanDerWaalsContact C-N 3.35Å; S638-H640 PolarHBondContact O-N 2.96Å; S638-T641 PolarHBondContact O-N 3.01Å; S638-Q642 PolarHBondContact O-N 3.46Å |
| 639 | L | 82.6 | Confident | 80.3 | Confident | 92 Ų | 92 | 101 Ų | 101 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 177.3 | -80.3 | 167.7 | 0 | 0 | 0 | 111.5 | I635 N636 T641 Q642 L643 | I635-L639 HydrophobicContact CG2-CD1 4.04Å; I635-L639 PolarHBondContact O-N 2.75Å; N636-L639 PolarHBondContact O-N 3.45Å; L639-T641 VanDerWaalsContact C-N 3.3Å; L639-T641 PolarHBondContact O-N 2.91Å; L639-Q642 PolarHBondContact O-N 2.84Å; L639-L643 VanDerWaalsContact O-CB 3.23Å; L639-L643 WeakPolarHBondContact O-CB 3.48Å; L639-L643 PolarHBondContact O-N 3.34Å |
| 640 | H | 79.4 | Confident | 79.6 | Confident | 109 Ų | 109 | 99.9 Ų | 99.9 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 175 | -89.8 | -41.8 | 0 | 0 | 0 | 112.7 | N636 S638 N644 | N636-H640 PolarHBondContact O-N 2.85Å; S638-H640 VanDerWaalsContact C-N 3.35Å; S638-H640 PolarHBondContact O-N 2.96Å; H640-N644 WeakPolarHBondContact O-CB 3.33Å; H640-N644 PolarHBondContact O-N 3.45Å; H640-N644 PolarHBondContact O-ND2 3.44Å |
| 641 | T | 80 | Confident | 79 | Confident | 89 Ų | 89 | 97.7 Ų | 97.7 | 55% | 0.546 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 176.6 | -53.4 | 0 | 0 | 0 | 0 | 111 | D637 S638 L639 N644 C645 | D637-T641 PolarHBondContact O-N 3.38Å; D637-T641 PolarHBondContact O-OG1 3.37Å; S638-T641 PolarHBondContact O-N 3.01Å; L639-T641 VanDerWaalsContact C-N 3.3Å; L639-T641 PolarHBondContact O-N 2.91Å; T641-N644 PolarHBondContact O-N 2.81Å; T641-C645 PolarHBondContact O-N 3.22Å; T641-C645 PolarHBondContact O-SG 3.42Å |
| 642 | Q | 79.2 | Confident | 78.3 | Confident | 102 Ų | 102 | 97.4 Ų | 97.4 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 176.5 | -173.9 | 176.1 | -9.5 | 0 | 0 | 111.9 | S638 L639 N644 C645 E646 | S638-Q642 PolarHBondContact O-N 3.46Å; L639-Q642 PolarHBondContact O-N 2.84Å; Q642-N644 VanDerWaalsContact C-N 3.3Å; Q642-N644 PolarHBondContact O-N 2.88Å; Q642-C645 WeakPolarHBondContact O-CB 3.44Å; Q642-C645 PolarHBondContact O-N 3Å; Q642-C645 VanDerWaalsContact O-N 3.07Å; Q642-E646 PolarHBondContact NE2-OE1 3.32Å; Q642-E646 VanDerWaalsContact NE2-OE1 3.11Å; Q642-E646 PolarHBondContact O-N 3.37Å |
| 643 | L | 77 | Confident | 77.7 | Confident | 111 Ų | 111 | 95.6 Ų | 95.6 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.6 | -35.4 | -179.3 | -155.2 | 146.3 | 0 | 0 | 0 | 111.5 | L639 S647 | L639-L643 VanDerWaalsContact O-CB 3.23Å; L639-L643 WeakPolarHBondContact O-CB 3.48Å; L639-L643 PolarHBondContact O-N 3.34Å; L643-S647 WeakPolarHBondContact O-CB 3.24Å; L643-S647 PolarHBondContact O-N 2.94Å |
| 644 | N | 76.8 | Confident | 77.3 | Confident | 93 Ų | 93 | 94.9 Ų | 94.9 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 171.1 | -81.1 | -28.4 | 0 | 0 | 0 | 112.8 | H640 T641 Q642 R648 | H640-N644 WeakPolarHBondContact O-CB 3.33Å; H640-N644 PolarHBondContact O-N 3.45Å; H640-N644 PolarHBondContact O-ND2 3.44Å; T641-N644 PolarHBondContact O-N 2.81Å; Q642-N644 VanDerWaalsContact C-N 3.3Å; Q642-N644 PolarHBondContact O-N 2.88Å; N644-R648 WeakPolarHBondContact O-CG 3.33Å; N644-R648 PolarHBondContact O-N 3.26Å |
| 645 | C | 76.5 | Confident | 76.8 | Confident | 61 Ų | 61 | 94.3 Ų | 94.3 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 174.7 | -75.6 | 0 | 0 | 0 | 0 | 111.7 | T641 Q642 R648 N649 | T641-C645 PolarHBondContact O-N 3.22Å; T641-C645 PolarHBondContact O-SG 3.42Å; Q642-C645 WeakPolarHBondContact O-CB 3.44Å; Q642-C645 PolarHBondContact O-N 3Å; Q642-C645 VanDerWaalsContact O-N 3.07Å; C645-R648 PolarHBondContact O-N 2.85Å; C645-N649 PolarHBondContact O-N 3.38Å |
| 646 | E | 75.9 | Confident | 76.4 | Confident | 109 Ų | 109 | 94.6 Ų | 94.6 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -41 | 176 | -74.7 | 179.5 | -163.8 | 0 | 0 | 111.8 | Q642 R648 N649 C650 | Q642-E646 PolarHBondContact NE2-OE1 3.32Å; Q642-E646 VanDerWaalsContact NE2-OE1 3.11Å; Q642-E646 PolarHBondContact O-N 3.37Å; E646-R648 PolarHBondContact O-N 3.42Å; E646-N649 PolarHBondContact O-N 2.98Å; E646-C650 VanDerWaalsContact O-CB 3.26Å; E646-C650 WeakPolarHBondContact O-CB 3.29Å; E646-C650 PolarHBondContact O-N 3.11Å |
| 647 | S | 71.8 | Confident | 76 | Confident | 66 Ų | 66 | 97.4 Ų | 97.4 | 46% | 0.462 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | L643 C650 T651 | L643-S647 WeakPolarHBondContact O-CB 3.24Å; L643-S647 PolarHBondContact O-N 2.94Å; S647-C650 PolarHBondContact O-N 3.36Å; S647-T651 PolarHBondContact O-N 2.89Å; S647-T651 PolarHBondContact O-OG1 3.41Å |
| 648 | R | 73.1 | Confident | 75.6 | Confident | 167 Ų | 167 | 97.9 Ų | 97.9 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 173.9 | -78.1 | -179.2 | -172.6 | 148.6 | 2.3 | 112.7 | N644 C645 E646 T651 K652 | N644-R648 WeakPolarHBondContact O-CG 3.33Å; N644-R648 PolarHBondContact O-N 3.26Å; C645-R648 PolarHBondContact O-N 2.85Å; E646-R648 PolarHBondContact O-N 3.42Å; R648-T651 VanDerWaalsContact CA-OG1 3.25Å; R648-T651 WeakPolarHBondContact CA-OG1 3.27Å; R648-T651 PolarHBondContact O-OG1 3.5Å; R648-K652 WeakPolarHBondContact O-CG 3.38Å; R648-K652 PolarHBondContact O-N 3.2Å |
| 649 | N | 75.9 | Confident | 75.3 | Confident | 103 Ų | 103 | 100.6 Ų | 100.6 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.1 | -40 | 177.3 | -71.8 | -15.2 | 0 | 0 | 0 | 111.3 | C645 E646 K652 A653 | C645-N649 PolarHBondContact O-N 3.38Å; E646-N649 PolarHBondContact O-N 2.98Å; N649-K652 PolarHBondContact O-N 2.93Å; N649-A653 VanDerWaalsContact O-CB 3.28Å; N649-A653 WeakPolarHBondContact O-CB 3.49Å; N649-A653 PolarHBondContact O-N 3.41Å |
| 650 | C | 69.8 | Low | 74.9 | Confident | 87 Ų | 87 | 98.8 Ų | 98.8 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 175.1 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | E646 S647 A653 N654 | E646-C650 VanDerWaalsContact O-CB 3.26Å; E646-C650 WeakPolarHBondContact O-CB 3.29Å; E646-C650 PolarHBondContact O-N 3.11Å; S647-C650 PolarHBondContact O-N 3.36Å; C650-A653 PolarHBondContact O-N 3.26Å; C650-N654 VanDerWaalsContact O-CB 3.24Å; C650-N654 WeakPolarHBondContact O-CB 3.43Å; C650-N654 PolarHBondContact O-N 2.95Å |
| 651 | T | 71.1 | Confident | 74.6 | Confident | 77 Ų | 77 | 98.2 Ų | 98.2 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.4 | 33.3 | 0 | 0 | 0 | 0 | 112.3 | S647 R648 N654 E655 | S647-T651 PolarHBondContact O-N 2.89Å; S647-T651 PolarHBondContact O-OG1 3.41Å; R648-T651 VanDerWaalsContact CA-OG1 3.25Å; R648-T651 WeakPolarHBondContact CA-OG1 3.27Å; R648-T651 PolarHBondContact O-OG1 3.5Å; T651-N654 PolarHBondContact O-N 3.48Å; T651-E655 PolarHBondContact O-N 3.24Å |
| 652 | K | 73.1 | Confident | 74.5 | Confident | 132 Ų | 132 | 96.9 Ų | 96.9 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 173.1 | -75.8 | 178.6 | -179.9 | 179.6 | 0 | 112.7 | R648 N649 N654 E655 N656 | R648-K652 WeakPolarHBondContact O-CG 3.38Å; R648-K652 PolarHBondContact O-N 3.2Å; N649-K652 PolarHBondContact O-N 2.93Å; K652-N654 VanDerWaalsContact C-N 3.33Å; K652-E655 PolarHBondContact O-N 3.45Å; K652-N656 WeakPolarHBondContact O-CB 3.45Å; K652-N656 VanDerWaalsContact O-CG 3.25Å; K652-N656 PolarHBondContact O-N 2.96Å; K652-N656 PolarHBondContact O-ND2 2.96Å |
| 653 | A | 69.8 | Low | 74.5 | Confident | 60 Ų | 60 | 97.1 Ų | 97.1 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N649 C650 N656 Y657 | N649-A653 VanDerWaalsContact O-CB 3.28Å; N649-A653 WeakPolarHBondContact O-CB 3.49Å; N649-A653 PolarHBondContact O-N 3.41Å; C650-A653 PolarHBondContact O-N 3.26Å; A653-N656 PolarHBondContact O-N 3.48Å; A653-Y657 WeakPolarHBondContact O-CB 3.45Å; A653-Y657 PolarHBondContact O-N 3.49Å |
| 654 | N | 73.8 | Confident | 74.6 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 176.5 | -167.7 | 47.2 | 0 | 0 | 0 | 112.2 | C650 T651 K652 N656 Y657 L658 | C650-N654 VanDerWaalsContact O-CB 3.24Å; C650-N654 WeakPolarHBondContact O-CB 3.43Å; C650-N654 PolarHBondContact O-N 2.95Å; T651-N654 PolarHBondContact O-N 3.48Å; K652-N654 VanDerWaalsContact C-N 3.33Å; N654-N656 VanDerWaalsContact C-N 3.33Å; N654-N656 PolarHBondContact O-N 3.37Å; N654-Y657 PolarHBondContact O-N 2.95Å; N654-L658 WeakPolarHBondContact O-CB 3.23Å; N654-L658 VanDerWaalsContact O-CG 3.31Å; N654-L658 WeakPolarHBondContact O-CG 3.46Å; N654-L658 PolarHBondContact O-N 3.06Å |
| 655 | E | 73.7 | Confident | 74.7 | Confident | 108 Ų | 108 | 96.8 Ų | 96.8 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 171.8 | -80.8 | -174.3 | -177.2 | 0 | 0 | 111.9 | T651 K652 L658 K659 | T651-E655 PolarHBondContact O-N 3.24Å; K652-E655 PolarHBondContact O-N 3.45Å; E655-L658 PolarHBondContact O-N 3.32Å; E655-K659 WeakPolarHBondContact O-CB 3.29Å; E655-K659 VanDerWaalsContact O-CG 3.27Å; E655-K659 WeakPolarHBondContact O-CG 3.45Å; E655-K659 PolarHBondContact O-N 2.86Å |
| 656 | N | 76.3 | Confident | 74.9 | Confident | 100 Ų | 100 | 99.3 Ų | 99.3 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -39 | 176.2 | -72.2 | -19.2 | 0 | 0 | 0 | 111.7 | K652 A653 N654 K659 A660 | K652-N656 WeakPolarHBondContact O-CB 3.45Å; K652-N656 VanDerWaalsContact O-CG 3.25Å; K652-N656 PolarHBondContact O-N 2.96Å; K652-N656 PolarHBondContact O-ND2 2.96Å; A653-N656 PolarHBondContact O-N 3.48Å; N654-N656 VanDerWaalsContact C-N 3.33Å; N654-N656 PolarHBondContact O-N 3.37Å; N656-K659 PolarHBondContact O-N 3.46Å; N656-A660 VanDerWaalsContact O-CB 3.3Å; N656-A660 WeakPolarHBondContact O-CB 3.38Å; N656-A660 PolarHBondContact O-N 2.79Å |
| 657 | Y | 72.5 | Confident | 75.1 | Confident | 140 Ų | 140 | 98.7 Ų | 98.7 | 55% | 0.549 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 173.5 | 177.2 | -92.3 | 0 | 0 | 0 | 111 | A653 N654 K659 A660 E661 | A653-Y657 WeakPolarHBondContact O-CB 3.45Å; A653-Y657 PolarHBondContact O-N 3.49Å; N654-Y657 PolarHBondContact O-N 2.95Å; Y657-K659 VanDerWaalsContact C-N 3.35Å; Y657-K659 PolarHBondContact O-N 3.42Å; Y657-A660 CarbonylContact O-C 3.59Å; Y657-A660 PolarHBondContact O-N 3.48Å; Y657-A660 VanDerWaalsContact O-N 3.16Å; Y657-E661 HydrophobicContact CE1-CB 4.47Å; Y657-E661 VanDerWaalsContact CE1-OE2 3.28Å; Y657-E661 WeakPolarHBondContact CE1-OE2 3.5Å; Y657-E661 WeakPolarHBondContact O-CB 3.47Å; Y657-E661 PolarHBondContact O-N 3.27Å |
| 658 | L | 74.6 | Confident | 75.5 | Confident | 90 Ų | 90 | 100.5 Ų | 100.5 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 177.2 | -73.7 | 167.3 | 0 | 0 | 0 | 112.3 | N654 E655 A662 | N654-L658 WeakPolarHBondContact O-CB 3.23Å; N654-L658 VanDerWaalsContact O-CG 3.31Å; N654-L658 WeakPolarHBondContact O-CG 3.46Å; N654-L658 PolarHBondContact O-N 3.06Å; E655-L658 PolarHBondContact O-N 3.32Å; L658-A662 VanDerWaalsContact O-CB 3.25Å; L658-A662 WeakPolarHBondContact O-CB 3.4Å; L658-A662 PolarHBondContact O-N 2.77Å |
| 659 | K | 78.1 | Confident | 75.8 | Confident | 130 Ų | 130 | 97.4 Ų | 97.4 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 172.9 | -76 | 171.5 | -175.4 | 166.6 | 0 | 111.6 | E655 N656 Y657 L663 | E655-K659 WeakPolarHBondContact O-CB 3.29Å; E655-K659 VanDerWaalsContact O-CG 3.27Å; E655-K659 WeakPolarHBondContact O-CG 3.45Å; E655-K659 PolarHBondContact O-N 2.86Å; N656-K659 PolarHBondContact O-N 3.46Å; Y657-K659 VanDerWaalsContact C-N 3.35Å; Y657-K659 PolarHBondContact O-N 3.42Å; K659-L663 VanDerWaalsContact O-CB 3.3Å; K659-L663 WeakPolarHBondContact O-CB 3.37Å; K659-L663 PolarHBondContact O-N 3.18Å |
| 660 | A | 73.5 | Confident | 76.1 | Confident | 54 Ų | 54 | 97.8 Ų | 97.8 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N656 Y657 L663 V664 | N656-A660 VanDerWaalsContact O-CB 3.3Å; N656-A660 WeakPolarHBondContact O-CB 3.38Å; N656-A660 PolarHBondContact O-N 2.79Å; Y657-A660 CarbonylContact O-C 3.59Å; Y657-A660 PolarHBondContact O-N 3.48Å; Y657-A660 VanDerWaalsContact O-N 3.16Å; A660-L663 PolarHBondContact O-N 3.31Å; A660-V664 WeakPolarHBondContact O-CB 3.31Å; A660-V664 VanDerWaalsContact O-CG2 3.28Å; A660-V664 WeakPolarHBondContact O-CG2 3.36Å; A660-V664 PolarHBondContact O-N 3.32Å |
| 661 | E | 74.9 | Confident | 76.5 | Confident | 97 Ų | 97 | 96.2 Ų | 96.2 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.8 | -171.8 | 178.2 | -169.6 | 0 | 0 | 111.2 | Y657 L663 V664 K665 | Y657-E661 HydrophobicContact CE1-CB 4.47Å; Y657-E661 VanDerWaalsContact CE1-OE2 3.28Å; Y657-E661 WeakPolarHBondContact CE1-OE2 3.5Å; Y657-E661 WeakPolarHBondContact O-CB 3.47Å; Y657-E661 PolarHBondContact O-N 3.27Å; E661-L663 VanDerWaalsContact C-N 3.31Å; E661-L663 PolarHBondContact O-N 3.15Å; E661-V664 PolarHBondContact O-N 3.38Å; E661-K665 VanDerWaalsContact O-CB 3.26Å; E661-K665 WeakPolarHBondContact O-CB 3.31Å; E661-K665 PolarHBondContact O-N 3.41Å |
| 662 | A | 77.8 | Confident | 76.9 | Confident | 61 Ų | 61 | 99.2 Ų | 99.2 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L658 H666 | L658-A662 VanDerWaalsContact O-CB 3.25Å; L658-A662 WeakPolarHBondContact O-CB 3.4Å; L658-A662 PolarHBondContact O-N 2.77Å; A662-H666 VanDerWaalsContact O-CB 3.28Å; A662-H666 WeakPolarHBondContact O-CB 3.41Å; A662-H666 PolarHBondContact O-N 2.95Å |
| 663 | L | 78.9 | Confident | 77.3 | Confident | 107 Ų | 107 | 96.3 Ų | 96.3 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -70.1 | -41.5 | 177.7 | -162.6 | 149.4 | 0 | 0 | 0 | 111.5 | K659 A660 E661 H666 L667 | K659-L663 VanDerWaalsContact O-CB 3.3Å; K659-L663 WeakPolarHBondContact O-CB 3.37Å; K659-L663 PolarHBondContact O-N 3.18Å; A660-L663 PolarHBondContact O-N 3.31Å; E661-L663 VanDerWaalsContact C-N 3.31Å; E661-L663 PolarHBondContact O-N 3.15Å; L663-H666 PolarHBondContact O-N 2.88Å; L663-L667 HydrophobicContact CD2-CD1 3.57Å; L663-L667 HydrophobicContact CD2-CG 4.07Å; L663-L667 WeakPolarHBondContact O-CB 3.34Å; L663-L667 VanDerWaalsContact O-CG 3.28Å; L663-L667 WeakPolarHBondContact O-CG 3.35Å; L663-L667 PolarHBondContact O-N 2.98Å |
| 664 | V | 78.3 | Confident | 77.9 | Confident | 75 Ų | 75 | 96.8 Ų | 96.8 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 172.6 | 169 | 0 | 0 | 0 | 0 | 110.2 | A660 E661 H666 L667 E668 | A660-V664 WeakPolarHBondContact O-CB 3.31Å; A660-V664 VanDerWaalsContact O-CG2 3.28Å; A660-V664 WeakPolarHBondContact O-CG2 3.36Å; A660-V664 PolarHBondContact O-N 3.32Å; E661-V664 PolarHBondContact O-N 3.38Å; V664-H666 VanDerWaalsContact C-N 3.35Å; V664-H666 PolarHBondContact O-N 2.75Å; V664-L667 CarbonylContact O-C 3.54Å; V664-L667 WeakPolarHBondContact O-CB 3.43Å; V664-L667 PolarHBondContact O-N 2.98Å; V664-L667 VanDerWaalsContact O-N 3.11Å; V664-E668 HydrophobicContact CG1-CG 4.29Å; V664-E668 WeakPolarHBondContact O-CB 3.38Å; V664-E668 WeakPolarHBondContact O-CG 3.48Å; V664-E668 PolarHBondContact O-N 2.87Å |
| 665 | K | 78.7 | Confident | 78.2 | Confident | 122 Ų | 122 | 98 Ų | 98 | 53% | 0.53 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 179 | -162.2 | 176.1 | -175.9 | 179.1 | 0 | 112 | E661 E668 E669 | E661-K665 VanDerWaalsContact O-CB 3.26Å; E661-K665 WeakPolarHBondContact O-CB 3.31Å; E661-K665 PolarHBondContact O-N 3.41Å; K665-E668 PolarHBondContact O-N 3.31Å; K665-E669 WeakPolarHBondContact O-CB 3.42Å; K665-E669 WeakPolarHBondContact O-CG 3.37Å; K665-E669 PolarHBondContact O-N 3.32Å |
| 666 | H | 82 | Confident | 78.6 | Confident | 115 Ų | 115 | 97.1 Ų | 97.1 | 53% | 0.532 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 172.7 | 177.6 | -88.2 | 0 | 0 | 0 | 112 | A662 L663 V664 K670 | A662-H666 VanDerWaalsContact O-CB 3.28Å; A662-H666 WeakPolarHBondContact O-CB 3.41Å; A662-H666 PolarHBondContact O-N 2.95Å; L663-H666 PolarHBondContact O-N 2.88Å; V664-H666 VanDerWaalsContact C-N 3.35Å; V664-H666 PolarHBondContact O-N 2.75Å; H666-K670 VanDerWaalsContact O-CB 3.25Å; H666-K670 WeakPolarHBondContact O-CB 3.34Å; H666-K670 PolarHBondContact O-N 2.9Å |
| 667 | L | 79 | Confident | 78.9 | Confident | 95 Ų | 95 | 97.7 Ų | 97.7 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 174.4 | -73.6 | 176.7 | 0 | 0 | 0 | 112.3 | L663 V664 K670 A671 | L663-L667 HydrophobicContact CD2-CD1 3.57Å; L663-L667 HydrophobicContact CD2-CG 4.07Å; L663-L667 WeakPolarHBondContact O-CB 3.34Å; L663-L667 VanDerWaalsContact O-CG 3.28Å; L663-L667 WeakPolarHBondContact O-CG 3.35Å; L663-L667 PolarHBondContact O-N 2.98Å; V664-L667 CarbonylContact O-C 3.54Å; V664-L667 WeakPolarHBondContact O-CB 3.43Å; V664-L667 PolarHBondContact O-N 2.98Å; V664-L667 VanDerWaalsContact O-N 3.11Å; L667-K670 PolarHBondContact O-N 2.64Å; L667-A671 WeakPolarHBondContact O-CB 3.46Å; L667-A671 PolarHBondContact O-N 3.14Å |
| 668 | E | 79.9 | Confident | 79.1 | Confident | 104 Ų | 104 | 96 Ų | 96 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 174.8 | -75.6 | 180 | 175.2 | 0 | 0 | 111.9 | V664 K665 A671 R672 | V664-E668 HydrophobicContact CG1-CG 4.29Å; V664-E668 WeakPolarHBondContact O-CB 3.38Å; V664-E668 WeakPolarHBondContact O-CG 3.48Å; V664-E668 PolarHBondContact O-N 2.87Å; K665-E668 PolarHBondContact O-N 3.31Å; E668-A671 PolarHBondContact O-N 2.98Å; E668-R672 WeakPolarHBondContact O-CB 3.45Å; E668-R672 PolarHBondContact O-N 3.47Å |
| 669 | E | 80.4 | Confident | 79.4 | Confident | 102 Ų | 102 | 97.5 Ų | 97.5 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -44 | 173.8 | -77.6 | 173 | -174 | 0 | 0 | 110.9 | K665 R672 S673 | K665-E669 WeakPolarHBondContact O-CB 3.42Å; K665-E669 WeakPolarHBondContact O-CG 3.37Å; K665-E669 PolarHBondContact O-N 3.32Å; E669-R672 PolarHBondContact O-N 3.15Å; E669-S673 WeakPolarHBondContact O-CB 3.39Å; E669-S673 PolarHBondContact O-N 2.9Å |
| 670 | K | 82.6 | Confident | 79.6 | Confident | 111 Ų | 111 | 96 Ų | 96 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 173.4 | -170.4 | 174.8 | -177.8 | 179.3 | 0 | 111.6 | H666 L667 S673 N674 | H666-K670 VanDerWaalsContact O-CB 3.25Å; H666-K670 WeakPolarHBondContact O-CB 3.34Å; H666-K670 PolarHBondContact O-N 2.9Å; L667-K670 PolarHBondContact O-N 2.64Å; K670-S673 PolarHBondContact O-N 2.94Å; K670-N674 WeakPolarHBondContact O-CB 3.4Å; K670-N674 PolarHBondContact O-N 3.45Å; K670-N674 PolarHBondContact O-OD1 3.48Å |
| 671 | A | 76.7 | Confident | 80 | Confident | 55 Ų | 55 | 98 Ų | 98 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L667 E668 N674 Q675 | L667-A671 WeakPolarHBondContact O-CB 3.46Å; L667-A671 PolarHBondContact O-N 3.14Å; E668-A671 PolarHBondContact O-N 2.98Å; A671-N674 PolarHBondContact O-N 2.87Å; A671-Q675 VanDerWaalsContact O-CB 3.24Å; A671-Q675 WeakPolarHBondContact O-CB 3.47Å; A671-Q675 PolarHBondContact O-N 2.84Å |
| 672 | R | 80.3 | Confident | 80.2 | Confident | 140 Ų | 140 | 96.4 Ų | 96.4 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64 | -44 | 173.4 | -110.2 | -178.1 | -78.2 | 155.2 | -4.8 | 112 | E668 E669 Q675 N676 | E668-R672 WeakPolarHBondContact O-CB 3.45Å; E668-R672 PolarHBondContact O-N 3.47Å; E669-R672 PolarHBondContact O-N 3.15Å; R672-Q675 PolarHBondContact O-N 2.84Å; R672-N676 PolarHBondContact O-N 2.91Å |
| 673 | S | 82.1 | Confident | 80.3 | Confident | 70 Ų | 70 | 98.8 Ų | 98.8 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -50.2 | 175.5 | -171.1 | 0 | 0 | 0 | 0 | 110.6 | E669 K670 Q675 N676 E677 | E669-S673 WeakPolarHBondContact O-CB 3.39Å; E669-S673 PolarHBondContact O-N 2.9Å; K670-S673 PolarHBondContact O-N 2.94Å; S673-Q675 VanDerWaalsContact C-N 3.31Å; S673-Q675 PolarHBondContact O-N 3.36Å; S673-N676 PolarHBondContact O-N 2.97Å; S673-E677 WeakPolarHBondContact O-CB 3.3Å; S673-E677 PolarHBondContact O-N 3.14Å |
| 674 | N | 81.7 | Confident | 80.4 | Confident | 70 Ų | 70 | 100 Ų | 100 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 176.6 | -70 | 5 | 0 | 0 | 0 | 111.8 | K670 A671 E677 I678 | K670-N674 WeakPolarHBondContact O-CB 3.4Å; K670-N674 PolarHBondContact O-N 3.45Å; K670-N674 PolarHBondContact O-OD1 3.48Å; A671-N674 PolarHBondContact O-N 2.87Å; N674-E677 PolarHBondContact O-N 3.2Å; N674-I678 WeakPolarHBondContact O-CB 3.43Å; N674-I678 WeakPolarHBondContact O-CG1 3.41Å; N674-I678 PolarHBondContact O-N 2.94Å |
| 675 | Q | 80.2 | Confident | 80.2 | Confident | 112 Ų | 112 | 99 Ų | 99 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 178 | -170.4 | 173.9 | 14 | 0 | 0 | 112 | A671 R672 S673 K679 | A671-Q675 VanDerWaalsContact O-CB 3.24Å; A671-Q675 WeakPolarHBondContact O-CB 3.47Å; A671-Q675 PolarHBondContact O-N 2.84Å; R672-Q675 PolarHBondContact O-N 2.84Å; S673-Q675 VanDerWaalsContact C-N 3.31Å; S673-Q675 PolarHBondContact O-N 3.36Å; Q675-K679 WeakPolarHBondContact O-CG 3.35Å; Q675-K679 PolarHBondContact O-N 3.47Å |
| 676 | N | 82.9 | Confident | 80.4 | Confident | 89 Ų | 89 | 99.5 Ų | 99.5 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 172.4 | -72.3 | -16.2 | 0 | 0 | 0 | 111 | R672 S673 I678 K679 D680 | R672-N676 PolarHBondContact O-N 2.91Å; S673-N676 PolarHBondContact O-N 2.97Å; N676-I678 PolarHBondContact O-N 2.77Å; N676-K679 WeakPolarHBondContact O-CB 3.44Å; N676-K679 PolarHBondContact O-N 3.26Å; N676-K679 VanDerWaalsContact O-N 3.15Å; N676-D680 PolarHBondContact O-N 3.43Å |
| 677 | E | 80.9 | Confident | 80.3 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.2 | -170.7 | 174 | -167 | 0 | 0 | 111.8 | S673 N674 K679 D680 L681 | S673-E677 WeakPolarHBondContact O-CB 3.3Å; S673-E677 PolarHBondContact O-N 3.14Å; N674-E677 PolarHBondContact O-N 3.2Å; E677-K679 VanDerWaalsContact C-N 3.34Å; E677-K679 PolarHBondContact O-N 3.26Å; E677-D680 PolarHBondContact O-N 2.99Å; E677-L681 HydrophobicContact CG-CD1 4.11Å; E677-L681 HydrophobicContact CG-CG 4.47Å; E677-L681 VanDerWaalsContact O-CB 3.31Å; E677-L681 WeakPolarHBondContact O-CB 3.33Å; E677-L681 VanDerWaalsContact O-CG 3.25Å; E677-L681 WeakPolarHBondContact O-CG 3.5Å; E677-L681 PolarHBondContact O-N 2.76Å |
| 678 | I | 77.8 | Confident | 80.1 | Confident | 105 Ų | 105 | 96.7 Ų | 96.7 | 54% | 0.538 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 172.9 | -72.1 | 165.2 | 0 | 0 | 0 | 110.6 | N674 N676 L681 T682 | N674-I678 WeakPolarHBondContact O-CB 3.43Å; N674-I678 WeakPolarHBondContact O-CG1 3.41Å; N674-I678 PolarHBondContact O-N 2.94Å; N676-I678 PolarHBondContact O-N 2.77Å; I678-L681 PolarHBondContact O-N 2.87Å; I678-T682 VanDerWaalsContact O-CB 3.24Å; I678-T682 WeakPolarHBondContact O-CB 3.48Å; I678-T682 PolarHBondContact O-N 2.81Å; I678-T682 PolarHBondContact O-OG1 2.98Å |
| 679 | K | 81.3 | Confident | 79.9 | Confident | 121 Ų | 121 | 96.3 Ų | 96.3 | 53% | 0.526 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 175.4 | -81.3 | 178.4 | 179.6 | 178.1 | 0 | 111.2 | Q675 N676 E677 L681 T682 E683 | Q675-K679 WeakPolarHBondContact O-CG 3.35Å; Q675-K679 PolarHBondContact O-N 3.47Å; N676-K679 WeakPolarHBondContact O-CB 3.44Å; N676-K679 PolarHBondContact O-N 3.26Å; N676-K679 VanDerWaalsContact O-N 3.15Å; E677-K679 VanDerWaalsContact C-N 3.34Å; E677-K679 PolarHBondContact O-N 3.26Å; K679-L681 PolarHBondContact O-N 3.48Å; K679-T682 WeakPolarHBondContact O-CB 3.45Å; K679-T682 PolarHBondContact O-N 3.19Å; K679-T682 VanDerWaalsContact O-N 3.17Å; K679-E683 WeakPolarHBondContact O-CB 3.49Å; K679-E683 PolarHBondContact O-N 3.45Å |
| 680 | D | 82.3 | Confident | 79.8 | Confident | 99 Ų | 99 | 98 Ų | 98 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 178.6 | -76.5 | -4.6 | 0 | 0 | 0 | 111.8 | N676 E677 T682 E683 K684 | N676-D680 PolarHBondContact O-N 3.43Å; E677-D680 PolarHBondContact O-N 2.99Å; D680-T682 VanDerWaalsContact C-N 3.35Å; D680-E683 PolarHBondContact O-N 3.15Å; D680-K684 WeakPolarHBondContact O-CB 3.32Å; D680-K684 VanDerWaalsContact O-CG 3.29Å; D680-K684 WeakPolarHBondContact O-CG 3.41Å; D680-K684 PolarHBondContact O-N 3.14Å |
| 681 | L | 80.5 | Confident | 79.5 | Confident | 96 Ų | 96 | 98.6 Ų | 98.6 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 174.5 | -72.5 | 173 | 0 | 0 | 0 | 111.8 | E677 I678 K679 K684 A685 | E677-L681 HydrophobicContact CG-CD1 4.11Å; E677-L681 HydrophobicContact CG-CG 4.47Å; E677-L681 VanDerWaalsContact O-CB 3.31Å; E677-L681 WeakPolarHBondContact O-CB 3.33Å; E677-L681 VanDerWaalsContact O-CG 3.25Å; E677-L681 WeakPolarHBondContact O-CG 3.5Å; E677-L681 PolarHBondContact O-N 2.76Å; I678-L681 PolarHBondContact O-N 2.87Å; K679-L681 PolarHBondContact O-N 3.48Å; L681-K684 PolarHBondContact O-N 3.33Å; L681-A685 VanDerWaalsContact O-CB 3.24Å; L681-A685 WeakPolarHBondContact O-CB 3.45Å; L681-A685 PolarHBondContact O-N 3.38Å |
| 682 | T | 80.9 | Confident | 79.5 | Confident | 64 Ų | 64 | 100 Ų | 100 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -38.3 | 175.4 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | I678 K679 D680 A685 R686 | I678-T682 VanDerWaalsContact O-CB 3.24Å; I678-T682 WeakPolarHBondContact O-CB 3.48Å; I678-T682 PolarHBondContact O-N 2.81Å; I678-T682 PolarHBondContact O-OG1 2.98Å; K679-T682 WeakPolarHBondContact O-CB 3.45Å; K679-T682 PolarHBondContact O-N 3.19Å; K679-T682 VanDerWaalsContact O-N 3.17Å; D680-T682 VanDerWaalsContact C-N 3.35Å; T682-A685 PolarHBondContact O-N 3.49Å; T682-R686 WeakPolarHBondContact O-CB 3.27Å; T682-R686 PolarHBondContact O-N 3.41Å |
| 683 | E | 80.1 | Confident | 79.5 | Confident | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 173.5 | -156.6 | 90.5 | -121 | 0 | 0 | 110.3 | K679 D680 R686 A687 | K679-E683 WeakPolarHBondContact O-CB 3.49Å; K679-E683 PolarHBondContact O-N 3.45Å; D680-E683 PolarHBondContact O-N 3.15Å; E683-R686 PolarHBondContact O-N 3.18Å; E683-R686 IonicContact OE1-CZ 3.09Å; E683-R686 IonicContact OE1-NH1 2.8Å; E683-R686 PolarHBondContact OE1-NH1 3.21Å; E683-R686 IonicContact OE1-NH2 3.3Å; E683-A687 PolarHBondContact O-N 2.87Å |
| 684 | K | 80.9 | Confident | 79.1 | Confident | 131 Ų | 131 | 100.8 Ų | 100.8 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.5 | -43 | 175 | -75.1 | 173.1 | -177.9 | 172.5 | 0 | 111.8 | D680 L681 R686 A687 I688 | D680-K684 WeakPolarHBondContact O-CB 3.32Å; D680-K684 VanDerWaalsContact O-CG 3.29Å; D680-K684 WeakPolarHBondContact O-CG 3.41Å; D680-K684 PolarHBondContact O-N 3.14Å; L681-K684 PolarHBondContact O-N 3.33Å; K684-R686 PolarHBondContact O-N 3.06Å; K684-A687 PolarHBondContact O-N 2.91Å; K684-I688 WeakPolarHBondContact O-CB 3.48Å; K684-I688 VanDerWaalsContact O-CG1 3.27Å; K684-I688 WeakPolarHBondContact O-CG1 3.12Å; K684-I688 PolarHBondContact O-N 3.43Å |
| 685 | A | 73.8 | Confident | 78.7 | Confident | 56 Ų | 56 | 102.9 Ų | 102.9 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L681 T682 I688 E689 | L681-A685 VanDerWaalsContact O-CB 3.24Å; L681-A685 WeakPolarHBondContact O-CB 3.45Å; L681-A685 PolarHBondContact O-N 3.38Å; T682-A685 PolarHBondContact O-N 3.49Å; A685-I688 PolarHBondContact O-N 2.96Å; A685-E689 WeakPolarHBondContact O-CB 3.32Å; A685-E689 PolarHBondContact O-N 3.34Å |
| 686 | R | 81.2 | Confident | 78.5 | Confident | 132 Ų | 132 | 106 Ų | 106 | 50% | 0.498 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 173.1 | -94.3 | -172.6 | -86.3 | 118.2 | -1.9 | 112.4 | T682 E683 K684 E689 K690 | T682-R686 WeakPolarHBondContact O-CB 3.27Å; T682-R686 PolarHBondContact O-N 3.41Å; E683-R686 PolarHBondContact O-N 3.18Å; E683-R686 IonicContact OE1-CZ 3.09Å; E683-R686 IonicContact OE1-NH1 2.8Å; E683-R686 PolarHBondContact OE1-NH1 3.21Å; E683-R686 IonicContact OE1-NH2 3.3Å; K684-R686 PolarHBondContact O-N 3.06Å; R686-E689 PolarHBondContact O-N 3.42Å; R686-K690 WeakPolarHBondContact O-CB 3.33Å; R686-K690 PolarHBondContact O-N 3.45Å |
| 687 | A | 80.1 | Confident | 78.3 | Confident | 47 Ų | 47 | 106.3 Ų | 106.3 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -48.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E683 K684 E689 K690 E691 | E683-A687 PolarHBondContact O-N 2.87Å; K684-A687 PolarHBondContact O-N 2.91Å; A687-E689 VanDerWaalsContact C-N 3.31Å; A687-E689 PolarHBondContact O-N 3.4Å; A687-K690 WeakPolarHBondContact O-CB 3.45Å; A687-K690 PolarHBondContact O-N 2.91Å; A687-K690 VanDerWaalsContact O-N 3.12Å; A687-E691 WeakPolarHBondContact O-CG 3.36Å; A687-E691 PolarHBondContact O-N 3.19Å |
| 688 | I | 76.1 | Confident | 78.1 | Confident | 103 Ų | 103 | 104.3 Ų | 104.3 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 175.6 | -67.4 | 166.1 | 0 | 0 | 0 | 110.9 | K684 A685 K690 E691 L692 | K684-I688 WeakPolarHBondContact O-CB 3.48Å; K684-I688 VanDerWaalsContact O-CG1 3.27Å; K684-I688 WeakPolarHBondContact O-CG1 3.12Å; K684-I688 PolarHBondContact O-N 3.43Å; A685-I688 PolarHBondContact O-N 2.96Å; I688-K690 VanDerWaalsContact C-N 3.31Å; I688-K690 PolarHBondContact O-N 2.82Å; I688-E691 PolarHBondContact O-N 2.97Å; I688-L692 WeakPolarHBondContact O-CB 3.33Å; I688-L692 PolarHBondContact O-N 3.47Å |
| 689 | E | 76.2 | Confident | 77.7 | Confident | 96 Ų | 96 | 103 Ų | 103 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -35 | 177.2 | -159.7 | -165.7 | 151.9 | 0 | 0 | 111.8 | A685 R686 A687 K693 | A685-E689 WeakPolarHBondContact O-CB 3.32Å; A685-E689 PolarHBondContact O-N 3.34Å; R686-E689 PolarHBondContact O-N 3.42Å; A687-E689 VanDerWaalsContact C-N 3.31Å; A687-E689 PolarHBondContact O-N 3.4Å; E689-K693 WeakPolarHBondContact O-CB 3.43Å; E689-K693 VanDerWaalsContact O-CG 3.32Å; E689-K693 WeakPolarHBondContact O-CG 3.35Å; E689-K693 PolarHBondContact O-N 3.39Å; E689-K693 VanDerWaalsContact OE1-CE 3.32Å; E689-K693 WeakPolarHBondContact OE1-CE 3.49Å; E689-K693 IonicContact OE1-NZ 2.78Å; E689-K693 PolarHBondContact OE1-NZ 2.86Å |
| 690 | K | 78.4 | Confident | 77.3 | Confident | 137 Ų | 137 | 100 Ų | 100 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.7 | -45.5 | 174.3 | -166.2 | -175.4 | 175.2 | -166.8 | 0 | 111.2 | R686 A687 I688 L692 K693 E694 | R686-K690 WeakPolarHBondContact O-CB 3.33Å; R686-K690 PolarHBondContact O-N 3.45Å; A687-K690 WeakPolarHBondContact O-CB 3.45Å; A687-K690 PolarHBondContact O-N 2.91Å; A687-K690 VanDerWaalsContact O-N 3.12Å; I688-K690 VanDerWaalsContact C-N 3.31Å; I688-K690 PolarHBondContact O-N 2.82Å; K690-L692 VanDerWaalsContact C-N 3.32Å; K690-L692 PolarHBondContact O-N 2.79Å; K690-K693 PolarHBondContact O-N 3.49Å; K690-E694 PolarHBondContact O-N 3.12Å |
| 691 | E | 75.6 | Confident | 77 | Confident | 125 Ų | 125 | 100.5 Ų | 100.5 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.3 | -42.6 | 172.8 | -73.5 | 175.7 | -175.1 | 0 | 0 | 111.1 | A687 I688 K693 E694 E695 | A687-E691 WeakPolarHBondContact O-CG 3.36Å; A687-E691 PolarHBondContact O-N 3.19Å; I688-E691 PolarHBondContact O-N 2.97Å; E691-K693 VanDerWaalsContact C-N 3.34Å; E691-K693 PolarHBondContact O-N 2.86Å; E691-E694 PolarHBondContact O-N 3.24Å; E691-E695 VanDerWaalsContact O-CB 3.31Å; E691-E695 WeakPolarHBondContact O-CB 3.42Å; E691-E695 PolarHBondContact O-N 2.88Å |
| 692 | L | 75.6 | Confident | 76.4 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 176.5 | -168.3 | 112.2 | 0 | 0 | 0 | 112.1 | I688 K690 R696 | I688-L692 WeakPolarHBondContact O-CB 3.33Å; I688-L692 PolarHBondContact O-N 3.47Å; K690-L692 VanDerWaalsContact C-N 3.32Å; K690-L692 PolarHBondContact O-N 2.79Å; L692-R696 VanDerWaalsContact O-CB 3.28Å; L692-R696 WeakPolarHBondContact O-CB 3.44Å; L692-R696 WeakPolarHBondContact O-CG 3.47Å; L692-R696 PolarHBondContact O-N 3.3Å |
| 693 | K | 80.2 | Confident | 76.2 | Confident | 121 Ų | 121 | 103 Ų | 103 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 172.9 | -78.3 | 170.7 | -173.8 | 160.6 | 0 | 111.6 | E689 K690 E691 R696 L697 | E689-K693 WeakPolarHBondContact O-CB 3.43Å; E689-K693 VanDerWaalsContact O-CG 3.32Å; E689-K693 WeakPolarHBondContact O-CG 3.35Å; E689-K693 PolarHBondContact O-N 3.39Å; E689-K693 VanDerWaalsContact OE1-CE 3.32Å; E689-K693 WeakPolarHBondContact OE1-CE 3.49Å; E689-K693 IonicContact OE1-NZ 2.78Å; E689-K693 PolarHBondContact OE1-NZ 2.86Å; K690-K693 PolarHBondContact O-N 3.49Å; E691-K693 VanDerWaalsContact C-N 3.34Å; E691-K693 PolarHBondContact O-N 2.86Å; K693-R696 PolarHBondContact O-N 3.32Å; K693-L697 WeakPolarHBondContact O-CB 3.48Å; K693-L697 PolarHBondContact O-N 3.38Å |
| 694 | E | 74.5 | Confident | 75.8 | Confident | 107 Ų | 107 | 103.6 Ų | 103.6 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 174 | -78 | 177.7 | -169.7 | 0 | 0 | 111.3 | K690 E691 L697 N698 | K690-E694 PolarHBondContact O-N 3.12Å; E691-E694 PolarHBondContact O-N 3.24Å; E694-L697 CarbonylContact O-C 3.59Å; E694-L697 WeakPolarHBondContact O-CB 3.27Å; E694-L697 PolarHBondContact O-N 2.99Å; E694-N698 WeakPolarHBondContact O-CB 3.39Å; E694-N698 VanDerWaalsContact O-CG 3.31Å; E694-N698 PolarHBondContact O-N 2.86Å |
| 695 | E | 72.4 | Confident | 75.4 | Confident | 113 Ų | 113 | 100.8 Ų | 100.8 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.1 | -35.1 | 178.4 | -163.6 | 56.6 | -152.7 | 0 | 0 | 112.1 | E691 L697 N698 C699 | E691-E695 VanDerWaalsContact O-CB 3.31Å; E691-E695 WeakPolarHBondContact O-CB 3.42Å; E691-E695 PolarHBondContact O-N 2.88Å; E695-L697 VanDerWaalsContact C-N 3.34Å; E695-N698 PolarHBondContact O-N 3.27Å; E695-C699 WeakPolarHBondContact O-CB 3.3Å; E695-C699 PolarHBondContact O-N 2.94Å |
| 696 | R | 77 | Confident | 75.4 | Confident | 177 Ų | 177 | 102.5 Ų | 102.5 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -40.2 | 168.9 | -79.8 | 175.7 | -179.7 | -169.2 | 2.5 | 111.8 | L692 K693 S700 | L692-R696 VanDerWaalsContact O-CB 3.28Å; L692-R696 WeakPolarHBondContact O-CB 3.44Å; L692-R696 WeakPolarHBondContact O-CG 3.47Å; L692-R696 PolarHBondContact O-N 3.3Å; K693-R696 PolarHBondContact O-N 3.32Å; R696-S700 WeakPolarHBondContact O-CB 3.38Å; R696-S700 PolarHBondContact O-N 2.82Å |
| 697 | L | 79.6 | Confident | 75.1 | Confident | 97 Ų | 97 | 101.1 Ų | 101.1 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 175.2 | -175.2 | 69 | 0 | 0 | 0 | 111.1 | K693 E694 E695 S700 K701 | K693-L697 WeakPolarHBondContact O-CB 3.48Å; K693-L697 PolarHBondContact O-N 3.38Å; E694-L697 CarbonylContact O-C 3.59Å; E694-L697 WeakPolarHBondContact O-CB 3.27Å; E694-L697 PolarHBondContact O-N 2.99Å; E695-L697 VanDerWaalsContact C-N 3.34Å; L697-S700 WeakPolarHBondContact O-CB 3.48Å; L697-S700 PolarHBondContact O-N 3.12Å; L697-K701 WeakPolarHBondContact O-CG 3.4Å; L697-K701 PolarHBondContact O-N 3.37Å |
| 698 | N | 75.3 | Confident | 75.1 | Confident | 70 Ų | 70 | 105 Ų | 105 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 174.8 | -72.2 | -19.3 | 0 | 0 | 0 | 111.4 | E694 E695 S700 K701 V702 | E694-N698 WeakPolarHBondContact O-CB 3.39Å; E694-N698 VanDerWaalsContact O-CG 3.31Å; E694-N698 PolarHBondContact O-N 2.86Å; E695-N698 PolarHBondContact O-N 3.27Å; N698-S700 VanDerWaalsContact C-N 3.29Å; N698-S700 PolarHBondContact O-N 3.48Å; N698-K701 CarbonylContact O-C 3.57Å; N698-K701 WeakPolarHBondContact O-CB 3.43Å; N698-K701 PolarHBondContact O-N 2.91Å; N698-K701 VanDerWaalsContact O-N 3.15Å; N698-V702 WeakPolarHBondContact O-CB 3.46Å; N698-V702 VanDerWaalsContact O-CG2 3.3Å; N698-V702 WeakPolarHBondContact O-CG2 3.28Å; N698-V702 PolarHBondContact O-N 3.15Å |
| 699 | C | 69.2 | Low | 74.9 | Confident | 76 Ų | 76 | 105.6 Ų | 105.6 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 172.2 | -92.7 | 0 | 0 | 0 | 0 | 111.9 | E695 V702 K703 | E695-C699 WeakPolarHBondContact O-CB 3.3Å; E695-C699 PolarHBondContact O-N 2.94Å; C699-V702 PolarHBondContact O-N 2.87Å; C699-K703 VanDerWaalsContact O-CB 3.24Å; C699-K703 WeakPolarHBondContact O-CB 3.46Å; C699-K703 PolarHBondContact O-N 2.9Å |
| 700 | S | 73.2 | Confident | 74.8 | Confident | 59 Ų | 59 | 106.3 Ų | 106.3 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.8 | -165.3 | 0 | 0 | 0 | 0 | 111.5 | R696 L697 N698 K703 E704 | R696-S700 WeakPolarHBondContact O-CB 3.38Å; R696-S700 PolarHBondContact O-N 2.82Å; L697-S700 WeakPolarHBondContact O-CB 3.48Å; L697-S700 PolarHBondContact O-N 3.12Å; N698-S700 VanDerWaalsContact C-N 3.29Å; N698-S700 PolarHBondContact O-N 3.48Å; S700-K703 PolarHBondContact O-N 3.32Å; S700-E704 WeakPolarHBondContact O-CG 3.42Å; S700-E704 PolarHBondContact O-N 2.79Å |
| 701 | K | 75.6 | Confident | 74.9 | Confident | 110 Ų | 110 | 106.3 Ų | 106.3 | 48% | 0.478 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.8 | -71.8 | 174 | -178 | 172.9 | 0 | 112 | L697 N698 K703 E704 T705 | L697-K701 WeakPolarHBondContact O-CG 3.4Å; L697-K701 PolarHBondContact O-N 3.37Å; N698-K701 CarbonylContact O-C 3.57Å; N698-K701 WeakPolarHBondContact O-CB 3.43Å; N698-K701 PolarHBondContact O-N 2.91Å; N698-K701 VanDerWaalsContact O-N 3.15Å; K701-K703 VanDerWaalsContact C-N 3.29Å; K701-K703 PolarHBondContact O-N 3.19Å; K701-E704 PolarHBondContact O-N 3.39Å; K701-T705 WeakPolarHBondContact O-CG2 3.44Å; K701-T705 PolarHBondContact O-N 2.81Å; K701-T705 PolarHBondContact O-OG1 2.8Å |
| 702 | V | 69 | Low | 75 | Confident | 82 Ų | 82 | 105.5 Ų | 105.5 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 176 | 171 | 0 | 0 | 0 | 0 | 110.5 | N698 C699 T705 L706 | N698-V702 WeakPolarHBondContact O-CB 3.46Å; N698-V702 VanDerWaalsContact O-CG2 3.3Å; N698-V702 WeakPolarHBondContact O-CG2 3.28Å; N698-V702 PolarHBondContact O-N 3.15Å; C699-V702 PolarHBondContact O-N 2.87Å; V702-T705 WeakPolarHBondContact CA-OG1 3.49Å; V702-T705 PolarHBondContact O-N 3.45Å; V702-T705 PolarHBondContact O-OG1 3.17Å; V702-L706 HydrophobicContact CG1-CD1 4.38Å; V702-L706 WeakPolarHBondContact O-CB 3.43Å; V702-L706 PolarHBondContact O-N 3.47Å |
| 703 | K | 76.6 | Confident | 75 | Confident | 130 Ų | 130 | 108.3 Ų | 108.3 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.8 | -44.2 | 174.6 | -171.6 | -179.7 | 178.5 | -171.5 | 0 | 111.5 | C699 S700 K701 T705 L706 E707 | C699-K703 VanDerWaalsContact O-CB 3.24Å; C699-K703 WeakPolarHBondContact O-CB 3.46Å; C699-K703 PolarHBondContact O-N 2.9Å; S700-K703 PolarHBondContact O-N 3.32Å; K701-K703 VanDerWaalsContact C-N 3.29Å; K701-K703 PolarHBondContact O-N 3.19Å; K703-T705 VanDerWaalsContact C-N 3.34Å; K703-T705 PolarHBondContact O-N 2.73Å; K703-L706 PolarHBondContact O-N 3.47Å; K703-E707 VanDerWaalsContact CE-OE1 3.27Å; K703-E707 WeakPolarHBondContact CE-OE1 3.42Å; K703-E707 WeakPolarHBondContact O-CB 3.38Å; K703-E707 WeakPolarHBondContact O-CG 3.47Å; K703-E707 PolarHBondContact O-N 2.81Å |
| 704 | E | 72.4 | Confident | 74.7 | Confident | 123 Ų | 123 | 109.7 Ų | 109.7 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.9 | -39.9 | 174 | -76.9 | 177 | -173.3 | 0 | 0 | 112.1 | S700 K701 F708 | S700-E704 WeakPolarHBondContact O-CG 3.42Å; S700-E704 PolarHBondContact O-N 2.79Å; K701-E704 PolarHBondContact O-N 3.39Å; E704-F708 VanDerWaalsContact O-CB 3.3Å; E704-F708 WeakPolarHBondContact O-CB 3.26Å; E704-F708 PolarHBondContact O-N 3.25Å |
| 705 | T | 71.5 | Confident | 74.9 | Confident | 72 Ų | 72 | 110.1 Ų | 110.1 | 44% | 0.442 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.3 | -36.7 | 174.7 | 58 | 0 | 0 | 0 | 0 | 111.7 | K701 V702 K703 F708 H709 | K701-T705 WeakPolarHBondContact O-CG2 3.44Å; K701-T705 PolarHBondContact O-N 2.81Å; K701-T705 PolarHBondContact O-OG1 2.8Å; V702-T705 WeakPolarHBondContact CA-OG1 3.49Å; V702-T705 PolarHBondContact O-N 3.45Å; V702-T705 PolarHBondContact O-OG1 3.17Å; K703-T705 VanDerWaalsContact C-N 3.34Å; K703-T705 PolarHBondContact O-N 2.73Å; T705-F708 WeakPolarHBondContact O-CB 3.15Å; T705-F708 PolarHBondContact O-N 2.92Å; T705-H709 WeakPolarHBondContact O-CB 3.5Å; T705-H709 PolarHBondContact O-CD2 3.47Å; T705-H709 PolarHBondContact O-N 2.88Å |
| 706 | L | 73.2 | Confident | 75.1 | Confident | 93 Ų | 93 | 110.2 Ų | 110.2 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -48.3 | 172.5 | -114.8 | 151.7 | 0 | 0 | 0 | 111.6 | V702 K703 F708 H709 E710 | V702-L706 HydrophobicContact CG1-CD1 4.38Å; V702-L706 WeakPolarHBondContact O-CB 3.43Å; V702-L706 PolarHBondContact O-N 3.47Å; K703-L706 PolarHBondContact O-N 3.47Å; L706-F708 VanDerWaalsContact C-N 3.28Å; L706-F708 PolarHBondContact O-N 3.48Å; L706-H709 CarbonylContact O-C 3.53Å; L706-H709 PolarHBondContact O-N 3.48Å; L706-H709 VanDerWaalsContact O-N 3.09Å; L706-E710 WeakPolarHBondContact O-CB 3.38Å; L706-E710 WeakPolarHBondContact O-CG 3.39Å; L706-E710 PolarHBondContact O-N 3.32Å |
| 707 | E | 76 | Confident | 75.2 | Confident | 103 Ų | 103 | 106.6 Ų | 106.6 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -38.4 | 175.7 | -74.5 | 177.7 | -169.8 | 0 | 0 | 111.1 | K703 K711 | K703-E707 VanDerWaalsContact CE-OE1 3.27Å; K703-E707 WeakPolarHBondContact CE-OE1 3.42Å; K703-E707 WeakPolarHBondContact O-CB 3.38Å; K703-E707 WeakPolarHBondContact O-CG 3.47Å; K703-E707 PolarHBondContact O-N 2.81Å; E707-K711 VanDerWaalsContact O-CB 3.3Å; E707-K711 WeakPolarHBondContact O-CB 3.25Å; E707-K711 PolarHBondContact O-N 2.83Å |
| 708 | F | 79.8 | Confident | 75.2 | Confident | 128 Ų | 128 | 106.8 Ų | 106.8 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -44.5 | 171.9 | 176.3 | -97.7 | 0 | 0 | 0 | 112 | E704 T705 L706 K711 K712 | E704-F708 VanDerWaalsContact O-CB 3.3Å; E704-F708 WeakPolarHBondContact O-CB 3.26Å; E704-F708 PolarHBondContact O-N 3.25Å; T705-F708 WeakPolarHBondContact O-CB 3.15Å; T705-F708 PolarHBondContact O-N 2.92Å; L706-F708 VanDerWaalsContact C-N 3.28Å; L706-F708 PolarHBondContact O-N 3.48Å; F708-K711 PolarHBondContact O-N 3.44Å; F708-K712 HydrophobicContact CE1-CD 4.25Å; F708-K712 HydrophobicContact CZ-CD 4.49Å; F708-K712 WeakPolarHBondContact O-CB 3.39Å; F708-K712 PolarHBondContact O-N 3.35Å |
| 709 | H | 72.1 | Confident | 75.3 | Confident | 116 Ų | 116 | 106.2 Ų | 106.2 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 177.6 | -77.9 | -59.6 | 0 | 0 | 0 | 112.6 | T705 L706 K712 F713 | T705-H709 WeakPolarHBondContact O-CB 3.5Å; T705-H709 PolarHBondContact O-CD2 3.47Å; T705-H709 PolarHBondContact O-N 2.88Å; L706-H709 CarbonylContact O-C 3.53Å; L706-H709 PolarHBondContact O-N 3.48Å; L706-H709 VanDerWaalsContact O-N 3.09Å; H709-K712 PolarHBondContact O-N 3.34Å; H709-F713 VanDerWaalsContact O-CB 3.25Å; H709-F713 WeakPolarHBondContact O-CB 3.38Å; H709-F713 PolarHBondContact O-N 3.23Å |
| 710 | E | 73.9 | Confident | 75.5 | Confident | 110 Ų | 110 | 106.1 Ų | 106.1 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 173 | -78 | -175.7 | 168.2 | 0 | 0 | 110.6 | L706 K712 F713 Y714 | L706-E710 WeakPolarHBondContact O-CB 3.38Å; L706-E710 WeakPolarHBondContact O-CG 3.39Å; L706-E710 PolarHBondContact O-N 3.32Å; E710-K712 VanDerWaalsContact C-N 3.33Å; E710-K712 PolarHBondContact O-N 2.87Å; E710-F713 WeakPolarHBondContact O-CB 3.3Å; E710-F713 PolarHBondContact O-N 2.87Å; E710-Y714 VanDerWaalsContact O-CD2 3.31Å; E710-Y714 WeakPolarHBondContact O-CD2 3.23Å; E710-Y714 PolarHBondContact O-N 3.01Å |
| 711 | K | 81.2 | Confident | 75.7 | Confident | 138 Ų | 138 | 107.2 Ų | 107.2 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 175.3 | -172.1 | 177.1 | 179.3 | -179.1 | 0 | 111.5 | E707 F708 F713 Y714 E715 | E707-K711 VanDerWaalsContact O-CB 3.3Å; E707-K711 WeakPolarHBondContact O-CB 3.25Å; E707-K711 PolarHBondContact O-N 2.83Å; F708-K711 PolarHBondContact O-N 3.44Å; K711-F713 VanDerWaalsContact C-N 3.32Å; K711-F713 PolarHBondContact O-N 3.48Å; K711-Y714 PolarHBondContact O-N 3.45Å; K711-E715 WeakPolarHBondContact O-CG 3.35Å; K711-E715 PolarHBondContact O-N 3.01Å |
| 712 | K | 76.1 | Confident | 75.7 | Confident | 108 Ų | 108 | 108.5 Ų | 108.5 | 47% | 0.47 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -35.1 | 176.9 | -156.2 | -178.6 | -173.7 | -174.7 | 0 | 112 | F708 H709 E710 E715 L716 | F708-K712 HydrophobicContact CE1-CD 4.25Å; F708-K712 HydrophobicContact CZ-CD 4.49Å; F708-K712 WeakPolarHBondContact O-CB 3.39Å; F708-K712 PolarHBondContact O-N 3.35Å; H709-K712 PolarHBondContact O-N 3.34Å; E710-K712 VanDerWaalsContact C-N 3.33Å; E710-K712 PolarHBondContact O-N 2.87Å; K712-E715 PolarHBondContact O-N 3.32Å; K712-L716 WeakPolarHBondContact O-CB 3.34Å; K712-L716 PolarHBondContact O-N 2.87Å |
| 713 | F | 77.1 | Confident | 76.1 | Confident | 142 Ų | 142 | 109.4 Ų | 109.4 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.4 | -42 | 174.2 | -175.1 | -94.6 | 0 | 0 | 0 | 111.5 | H709 E710 K711 L716 K717 | H709-F713 VanDerWaalsContact O-CB 3.25Å; H709-F713 WeakPolarHBondContact O-CB 3.38Å; H709-F713 PolarHBondContact O-N 3.23Å; E710-F713 WeakPolarHBondContact O-CB 3.3Å; E710-F713 PolarHBondContact O-N 2.87Å; K711-F713 VanDerWaalsContact C-N 3.32Å; K711-F713 PolarHBondContact O-N 3.48Å; F713-L716 PolarHBondContact O-N 3.41Å; F713-K717 VanDerWaalsContact O-CB 3.3Å; F713-K717 WeakPolarHBondContact O-CB 3.4Å; F713-K717 PolarHBondContact O-N 3.38Å |
| 714 | Y | 73.4 | Confident | 76.2 | Confident | 149 Ų | 149 | 107.3 Ų | 107.3 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -44.3 | 171.4 | -90.5 | -74.6 | 0 | 0 | 0 | 111.4 | E710 K711 L716 K717 M718 | E710-Y714 VanDerWaalsContact O-CD2 3.31Å; E710-Y714 WeakPolarHBondContact O-CD2 3.23Å; E710-Y714 PolarHBondContact O-N 3.01Å; K711-Y714 PolarHBondContact O-N 3.45Å; Y714-L716 PolarHBondContact O-N 2.88Å; Y714-K717 PolarHBondContact O-N 3.45Å; Y714-M718 WeakPolarHBondContact O-CB 3.43Å; Y714-M718 VanDerWaalsContact O-CG 3.26Å; Y714-M718 WeakPolarHBondContact O-CG 3.4Å; Y714-M718 PolarHBondContact O-N 3.2Å |
| 715 | E | 78.4 | Confident | 76.5 | Confident | 117 Ų | 117 | 107.7 Ų | 107.7 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 174.6 | -74.5 | 172.6 | -169.9 | 0 | 0 | 112 | K711 K712 M718 S719 | K711-E715 WeakPolarHBondContact O-CG 3.35Å; K711-E715 PolarHBondContact O-N 3.01Å; K712-E715 PolarHBondContact O-N 3.32Å; E715-M718 PolarHBondContact O-N 3.45Å; E715-S719 WeakPolarHBondContact O-CB 3.49Å; E715-S719 PolarHBondContact O-N 3.37Å |
| 716 | L | 75.9 | Confident | 76.9 | Confident | 114 Ų | 114 | 107 Ų | 107 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.4 | -41.9 | 174.2 | -88.9 | 156.6 | 0 | 0 | 0 | 112.4 | K712 F713 Y714 S719 S720 | K712-L716 WeakPolarHBondContact O-CB 3.34Å; K712-L716 PolarHBondContact O-N 2.87Å; F713-L716 PolarHBondContact O-N 3.41Å; Y714-L716 PolarHBondContact O-N 2.88Å; L716-S719 PolarHBondContact O-N 2.63Å; L716-S720 WeakPolarHBondContact O-CB 3.5Å; L716-S720 PolarHBondContact O-N 2.87Å |
| 717 | K | 80.7 | Confident | 77 | Confident | 102 Ų | 102 | 106.8 Ų | 106.8 | 44% | 0.443 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.4 | -173.9 | -179.1 | 177.4 | -174.1 | 0 | 110.9 | F713 Y714 S719 S720 E721 | F713-K717 VanDerWaalsContact O-CB 3.3Å; F713-K717 WeakPolarHBondContact O-CB 3.4Å; F713-K717 PolarHBondContact O-N 3.38Å; Y714-K717 PolarHBondContact O-N 3.45Å; K717-S719 VanDerWaalsContact C-N 3.3Å; K717-S719 PolarHBondContact O-N 3.23Å; K717-S720 WeakPolarHBondContact O-CB 3.43Å; K717-S720 PolarHBondContact O-N 3.21Å; K717-E721 VanDerWaalsContact CE-OE1 3.27Å; K717-E721 WeakPolarHBondContact CE-OE1 3.31Å; K717-E721 WeakPolarHBondContact O-CG 3.47Å; K717-E721 PolarHBondContact O-N 2.76Å |
| 718 | M | 78.4 | Confident | 77.2 | Confident | 100 Ų | 100 | 105.3 Ų | 105.3 | 49% | 0.493 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 174.9 | -66.4 | -53.2 | -59.4 | 0 | 0 | 111.8 | Y714 E715 K722 | Y714-M718 WeakPolarHBondContact O-CB 3.43Å; Y714-M718 VanDerWaalsContact O-CG 3.26Å; Y714-M718 WeakPolarHBondContact O-CG 3.4Å; Y714-M718 PolarHBondContact O-N 3.2Å; E715-M718 PolarHBondContact O-N 3.45Å; M718-K722 WeakPolarHBondContact O-CB 3.48Å; M718-K722 WeakPolarHBondContact O-CG 3.4Å; M718-K722 PolarHBondContact O-N 2.84Å |
| 719 | S | 77.3 | Confident | 77.3 | Confident | 58 Ų | 58 | 103.6 Ų | 103.6 | 41% | 0.406 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 174.5 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | E715 L716 K717 K722 N723 | E715-S719 WeakPolarHBondContact O-CB 3.49Å; E715-S719 PolarHBondContact O-N 3.37Å; L716-S719 PolarHBondContact O-N 2.63Å; K717-S719 VanDerWaalsContact C-N 3.3Å; K717-S719 PolarHBondContact O-N 3.23Å; S719-K722 PolarHBondContact O-N 3.36Å; S719-N723 WeakPolarHBondContact O-CB 3.45Å; S719-N723 PolarHBondContact O-N 3.48Å; S719-N723 PolarHBondContact O-ND2 3.38Å; S719-N723 PolarHBondContact O-OD1 3.29Å |
| 720 | S | 74.4 | Confident | 77.6 | Confident | 75 Ų | 75 | 100 Ų | 100 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 175.9 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | L716 K717 N723 Q724 | L716-S720 WeakPolarHBondContact O-CB 3.5Å; L716-S720 PolarHBondContact O-N 2.87Å; K717-S720 WeakPolarHBondContact O-CB 3.43Å; K717-S720 PolarHBondContact O-N 3.21Å; S720-N723 PolarHBondContact O-N 3.4Å; S720-Q724 WeakPolarHBondContact O-CB 3.32Å; S720-Q724 PolarHBondContact O-N 2.81Å |
| 721 | E | 77 | Confident | 77.9 | Confident | 82 Ų | 82 | 101.9 Ų | 101.9 | 38% | 0.383 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 175.1 | -75.3 | 173.6 | -170.9 | 0 | 0 | 111.4 | K717 Q724 Q725 | K717-E721 VanDerWaalsContact CE-OE1 3.27Å; K717-E721 WeakPolarHBondContact CE-OE1 3.31Å; K717-E721 WeakPolarHBondContact O-CG 3.47Å; K717-E721 PolarHBondContact O-N 2.76Å; E721-Q724 PolarHBondContact O-N 3.47Å; E721-Q725 WeakPolarHBondContact O-CG 3.35Å; E721-Q725 PolarHBondContact O-N 3.15Å |
| 722 | K | 76.2 | Confident | 78 | Confident | 137 Ų | 137 | 100.2 Ų | 100.2 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 171.9 | -78.3 | -179.5 | 179.9 | -179.2 | 0 | 112.6 | M718 S719 Q724 Q725 A726 | M718-K722 WeakPolarHBondContact O-CB 3.48Å; M718-K722 WeakPolarHBondContact O-CG 3.4Å; M718-K722 PolarHBondContact O-N 2.84Å; S719-K722 PolarHBondContact O-N 3.36Å; K722-Q724 VanDerWaalsContact C-N 3.33Å; K722-Q725 PolarHBondContact O-N 2.94Å; K722-A726 WeakPolarHBondContact O-CB 3.44Å; K722-A726 PolarHBondContact O-N 3.38Å |
| 723 | N | 75.8 | Confident | 78.3 | Confident | 100 Ų | 100 | 100.1 Ų | 100.1 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 175.9 | -73.1 | -12 | 0 | 0 | 0 | 110.9 | S719 S720 A726 L727 | S719-N723 WeakPolarHBondContact O-CB 3.45Å; S719-N723 PolarHBondContact O-N 3.48Å; S719-N723 PolarHBondContact O-ND2 3.38Å; S719-N723 PolarHBondContact O-OD1 3.29Å; S720-N723 PolarHBondContact O-N 3.4Å; N723-A726 PolarHBondContact O-N 3.36Å; N723-L727 WeakPolarHBondContact O-CB 3.35Å; N723-L727 PolarHBondContact O-N 3.01Å |
| 724 | Q | 79 | Confident | 78.3 | Confident | 86 Ų | 86 | 98 Ų | 98 | 40% | 0.402 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 175.1 | -172.9 | 59.4 | 43.5 | 0 | 0 | 111.3 | S720 E721 K722 A726 L727 D728 | S720-Q724 WeakPolarHBondContact O-CB 3.32Å; S720-Q724 PolarHBondContact O-N 2.81Å; E721-Q724 PolarHBondContact O-N 3.47Å; K722-Q724 VanDerWaalsContact C-N 3.33Å; Q724-A726 VanDerWaalsContact C-N 3.31Å; Q724-A726 PolarHBondContact O-N 3.22Å; Q724-L727 WeakPolarHBondContact O-CB 3.39Å; Q724-L727 PolarHBondContact O-N 2.82Å; Q724-L727 VanDerWaalsContact O-N 3.14Å; Q724-D728 PolarHBondContact NE2-OD1 2.91Å; Q724-D728 PolarHBondContact NE2-OD2 3.41Å; Q724-D728 WeakPolarHBondContact O-CB 3.43Å; Q724-D728 VanDerWaalsContact O-CG 3.24Å; Q724-D728 PolarHBondContact O-N 3.5Å |
| 725 | Q | 80 | Confident | 78.7 | Confident | 132 Ų | 132 | 97 Ų | 97 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.7 | -40.2 | 173.2 | -73.4 | 173.9 | 0.5 | 0 | 0 | 112.2 | E721 K722 D728 L729 | E721-Q725 WeakPolarHBondContact O-CG 3.35Å; E721-Q725 PolarHBondContact O-N 3.15Å; K722-Q725 PolarHBondContact O-N 2.94Å; Q725-D728 PolarHBondContact O-N 3.06Å; Q725-L729 VanDerWaalsContact O-CB 3.32Å; Q725-L729 WeakPolarHBondContact O-CB 3.43Å; Q725-L729 PolarHBondContact O-N 3.34Å |
| 726 | A | 78.1 | Confident | 78.7 | Confident | 57 Ų | 57 | 96.8 Ų | 96.8 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67 | -37 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | K722 N723 Q724 A730 | K722-A726 WeakPolarHBondContact O-CB 3.44Å; K722-A726 PolarHBondContact O-N 3.38Å; N723-A726 PolarHBondContact O-N 3.36Å; Q724-A726 VanDerWaalsContact C-N 3.31Å; Q724-A726 PolarHBondContact O-N 3.22Å; A726-A730 WeakPolarHBondContact O-CB 3.39Å; A726-A730 PolarHBondContact O-N 2.94Å |
| 727 | L | 75.4 | Confident | 79 | Confident | 88 Ų | 88 | 98.7 Ų | 98.7 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 175.5 | -126.1 | 156.2 | 0 | 0 | 0 | 111.5 | N723 Q724 A730 R731 | N723-L727 WeakPolarHBondContact O-CB 3.35Å; N723-L727 PolarHBondContact O-N 3.01Å; Q724-L727 WeakPolarHBondContact O-CB 3.39Å; Q724-L727 PolarHBondContact O-N 2.82Å; Q724-L727 VanDerWaalsContact O-N 3.14Å; L727-A730 PolarHBondContact O-N 3.44Å; L727-R731 HydrophobicContact CD2-CG 4.49Å; L727-R731 WeakPolarHBondContact O-CB 3.39Å; L727-R731 VanDerWaalsContact O-CG 3.29Å; L727-R731 WeakPolarHBondContact O-CG 3.33Å; L727-R731 PolarHBondContact O-N 3.15Å |
| 728 | D | 80.9 | Confident | 79 | Confident | 73 Ų | 73 | 99.3 Ų | 99.3 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68 | -38.9 | 176.5 | -66.3 | -25.9 | 0 | 0 | 0 | 110.9 | Q724 Q725 R731 M732 | Q724-D728 PolarHBondContact NE2-OD1 2.91Å; Q724-D728 PolarHBondContact NE2-OD2 3.41Å; Q724-D728 WeakPolarHBondContact O-CB 3.43Å; Q724-D728 VanDerWaalsContact O-CG 3.24Å; Q724-D728 PolarHBondContact O-N 3.5Å; Q725-D728 PolarHBondContact O-N 3.06Å; D728-R731 PolarHBondContact O-N 3.13Å; D728-R731 IonicContact OD1-NH1 2.82Å; D728-M732 WeakPolarHBondContact O-CB 3.47Å; D728-M732 PolarHBondContact O-N 3.31Å |
| 729 | L | 82 | Confident | 79.1 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 171.3 | -176.2 | 65.1 | 0 | 0 | 0 | 111.7 | Q725 M732 Q733 | Q725-L729 VanDerWaalsContact O-CB 3.32Å; Q725-L729 WeakPolarHBondContact O-CB 3.43Å; Q725-L729 PolarHBondContact O-N 3.34Å; L729-M732 HydrophobicContact CD1-CE 3.92Å; L729-M732 PolarHBondContact O-N 3.02Å; L729-Q733 WeakPolarHBondContact O-CG 3.48Å; L729-Q733 PolarHBondContact O-N 2.91Å |
| 730 | A | 77.6 | Confident | 79.2 | Confident | 42 Ų | 42 | 103.2 Ų | 103.2 | 35% | 0.347 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A726 L727 M732 Q733 I734 | A726-A730 WeakPolarHBondContact O-CB 3.39Å; A726-A730 PolarHBondContact O-N 2.94Å; L727-A730 PolarHBondContact O-N 3.44Å; A730-M732 VanDerWaalsContact C-N 3.32Å; A730-M732 PolarHBondContact O-N 3.42Å; A730-Q733 PolarHBondContact O-N 3.1Å; A730-I734 VanDerWaalsContact O-CG1 3.31Å; A730-I734 WeakPolarHBondContact O-CG1 3.41Å; A730-I734 PolarHBondContact O-N 3.05Å |
| 731 | R | 81.9 | Confident | 79.4 | Confident | 149 Ų | 149 | 104.5 Ų | 104.5 | 56% | 0.562 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.1 | -41.4 | 173.6 | -77 | 170.6 | 175.2 | 178.4 | -4.2 | 111.8 | L727 D728 I734 K735 | L727-R731 HydrophobicContact CD2-CG 4.49Å; L727-R731 WeakPolarHBondContact O-CB 3.39Å; L727-R731 VanDerWaalsContact O-CG 3.29Å; L727-R731 WeakPolarHBondContact O-CG 3.33Å; L727-R731 PolarHBondContact O-N 3.15Å; D728-R731 PolarHBondContact O-N 3.13Å; D728-R731 IonicContact OD1-NH1 2.82Å; R731-I734 PolarHBondContact O-N 2.94Å; R731-K735 WeakPolarHBondContact O-CB 3.26Å; R731-K735 PolarHBondContact O-N 2.89Å |
| 732 | M | 83.1 | Confident | 79.6 | Confident | 102 Ų | 102 | 104.7 Ų | 104.7 | 50% | 0.502 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 176.9 | -158.7 | 178.7 | 60.7 | 0 | 0 | 111.2 | D728 L729 A730 K735 E736 | D728-M732 WeakPolarHBondContact O-CB 3.47Å; D728-M732 PolarHBondContact O-N 3.31Å; L729-M732 HydrophobicContact CD1-CE 3.92Å; L729-M732 PolarHBondContact O-N 3.02Å; A730-M732 VanDerWaalsContact C-N 3.32Å; A730-M732 PolarHBondContact O-N 3.42Å; M732-K735 PolarHBondContact O-N 3.29Å; M732-E736 WeakPolarHBondContact O-CG 3.33Å; M732-E736 PolarHBondContact O-N 2.89Å |
| 733 | Q | 80.9 | Confident | 80 | Confident | 107 Ų | 107 | 102.2 Ų | 102.2 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 173.4 | -73.4 | 179.3 | -8.7 | 0 | 0 | 113 | L729 A730 K735 E736 K737 | L729-Q733 WeakPolarHBondContact O-CG 3.48Å; L729-Q733 PolarHBondContact O-N 2.91Å; A730-Q733 PolarHBondContact O-N 3.1Å; Q733-K735 VanDerWaalsContact C-N 3.34Å; Q733-E736 PolarHBondContact O-N 3.27Å; Q733-K737 WeakPolarHBondContact O-CB 3.33Å; Q733-K737 VanDerWaalsContact O-CG 3.23Å; Q733-K737 WeakPolarHBondContact O-CG 3.3Å; Q733-K737 PolarHBondContact O-N 2.92Å |
| 734 | I | 77.9 | Confident | 80.2 | Confident | 97 Ų | 97 | 101.6 Ų | 101.6 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 173.9 | -71.6 | 165.6 | 0 | 0 | 0 | 109.5 | A730 R731 E736 K737 E738 | A730-I734 VanDerWaalsContact O-CG1 3.31Å; A730-I734 WeakPolarHBondContact O-CG1 3.41Å; A730-I734 PolarHBondContact O-N 3.05Å; R731-I734 PolarHBondContact O-N 2.94Å; I734-E736 PolarHBondContact O-N 3.39Å; I734-K737 CarbonylContact O-C 3.59Å; I734-K737 WeakPolarHBondContact O-CA 3.37Å; I734-K737 WeakPolarHBondContact O-CB 3.28Å; I734-K737 PolarHBondContact O-N 2.98Å; I734-K737 VanDerWaalsContact O-N 3.07Å; I734-E738 HydrophobicContact CG2-CG 4.27Å; I734-E738 WeakPolarHBondContact O-CG 3.36Å; I734-E738 PolarHBondContact O-N 3.11Å |
| 735 | K | 82.3 | Confident | 80.4 | Confident | 127 Ų | 127 | 102 Ų | 102 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.3 | -40.8 | 178.4 | -165.2 | 179.4 | 177.9 | -173.7 | 0 | 112.5 | R731 M732 Q733 K737 E738 E739 | R731-K735 WeakPolarHBondContact O-CB 3.26Å; R731-K735 PolarHBondContact O-N 2.89Å; M732-K735 PolarHBondContact O-N 3.29Å; Q733-K735 VanDerWaalsContact C-N 3.34Å; K735-K737 VanDerWaalsContact C-N 3.32Å; K735-K737 PolarHBondContact O-N 3.42Å; K735-E738 PolarHBondContact O-N 2.86Å; K735-E739 WeakPolarHBondContact O-CG 3.3Å; K735-E739 PolarHBondContact O-N 2.84Å |
| 736 | E | 78.2 | Confident | 80.6 | Confident | 114 Ų | 114 | 103.1 Ų | 103.1 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 172.1 | -75.2 | 175.7 | 177.4 | 0 | 0 | 112 | M732 Q733 I734 H740 | M732-E736 WeakPolarHBondContact O-CG 3.33Å; M732-E736 PolarHBondContact O-N 2.89Å; Q733-E736 PolarHBondContact O-N 3.27Å; I734-E736 PolarHBondContact O-N 3.39Å; E736-H740 WeakPolarHBondContact O-CB 3.47Å; E736-H740 PolarHBondContact O-N 3.34Å |
| 737 | K | 82.3 | Confident | 80.8 | Confident | 154 Ų | 154 | 105 Ų | 105 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.8 | -36.7 | 176 | -70.2 | -70.4 | -179 | -175.3 | 0 | 112.3 | Q733 I734 K735 H740 H741 | Q733-K737 WeakPolarHBondContact O-CB 3.33Å; Q733-K737 VanDerWaalsContact O-CG 3.23Å; Q733-K737 WeakPolarHBondContact O-CG 3.3Å; Q733-K737 PolarHBondContact O-N 2.92Å; I734-K737 CarbonylContact O-C 3.59Å; I734-K737 WeakPolarHBondContact O-CA 3.37Å; I734-K737 WeakPolarHBondContact O-CB 3.28Å; I734-K737 PolarHBondContact O-N 2.98Å; I734-K737 VanDerWaalsContact O-N 3.07Å; K735-K737 VanDerWaalsContact C-N 3.32Å; K735-K737 PolarHBondContact O-N 3.42Å; K737-H740 PolarHBondContact O-N 2.93Å; K737-H741 WeakPolarHBondContact O-CB 3.49Å; K737-H741 PolarHBondContact O-N 3.37Å |
| 738 | E | 80.1 | Confident | 81.1 | Confident | 114 Ų | 114 | 106.7 Ų | 106.7 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 172.9 | -73.8 | 172.4 | 170.2 | 0 | 0 | 111 | I734 K735 H740 H741 E742 | I734-E738 HydrophobicContact CG2-CG 4.27Å; I734-E738 WeakPolarHBondContact O-CG 3.36Å; I734-E738 PolarHBondContact O-N 3.11Å; K735-E738 PolarHBondContact O-N 2.86Å; E738-H740 VanDerWaalsContact C-N 3.34Å; E738-H740 PolarHBondContact O-N 3.42Å; E738-H741 WeakPolarHBondContact O-CB 3.48Å; E738-H741 PolarHBondContact O-N 2.77Å; E738-H741 VanDerWaalsContact O-N 3.14Å; E738-E742 PolarHBondContact O-N 3.43Å |
| 739 | E | 81.7 | Confident | 81.3 | Confident | 121 Ų | 121 | 107 Ų | 107 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -41.8 | 174 | -76.7 | 178.6 | -170.9 | 0 | 0 | 111.5 | K735 H741 E742 E743 | K735-E739 WeakPolarHBondContact O-CG 3.3Å; K735-E739 PolarHBondContact O-N 2.84Å; E739-H741 VanDerWaalsContact C-N 3.32Å; E739-H741 PolarHBondContact O-N 3.34Å; E739-E742 PolarHBondContact O-N 3.29Å; E739-E743 WeakPolarHBondContact O-CB 3.05Å; E739-E743 PolarHBondContact O-N 2.86Å |
| 740 | H | 78.9 | Confident | 81.4 | Confident | 120 Ų | 120 | 107 Ų | 107 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -36.1 | 173.6 | -173.7 | -83.1 | 0 | 0 | 0 | 112.2 | E736 K737 E738 L744 | E736-H740 WeakPolarHBondContact O-CB 3.47Å; E736-H740 PolarHBondContact O-N 3.34Å; K737-H740 PolarHBondContact O-N 2.93Å; E738-H740 VanDerWaalsContact C-N 3.34Å; E738-H740 PolarHBondContact O-N 3.42Å; H740-L744 WeakPolarHBondContact CE1-CD1 3.27Å; H740-L744 VanDerWaalsContact ND1-CD1 3.34Å; H740-L744 WeakPolarHBondContact ND1-CD1 3.26Å; H740-L744 WeakPolarHBondContact O-CB 3.49Å; H740-L744 PolarHBondContact O-N 3.35Å |
| 741 | H | 79.1 | Confident | 81.6 | Confident | 102 Ų | 102 | 110.2 Ų | 110.2 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 175.8 | -173.7 | 70.8 | 0 | 0 | 0 | 111.9 | K737 E738 E739 E743 L744 K745 | K737-H741 WeakPolarHBondContact O-CB 3.49Å; K737-H741 PolarHBondContact O-N 3.37Å; E738-H741 WeakPolarHBondContact O-CB 3.48Å; E738-H741 PolarHBondContact O-N 2.77Å; E738-H741 VanDerWaalsContact O-N 3.14Å; E739-H741 VanDerWaalsContact C-N 3.32Å; E739-H741 PolarHBondContact O-N 3.34Å; H741-E743 VanDerWaalsContact C-N 3.34Å; H741-L744 WeakPolarHBondContact O-CB 3.3Å; H741-L744 PolarHBondContact O-N 3.34Å; H741-K745 WeakPolarHBondContact NE2-CE 3.39Å; H741-K745 WeakPolarHBondContact O-CG 3.4Å; H741-K745 PolarHBondContact O-N 3.14Å |
| 742 | E | 81.3 | Confident | 81.6 | Confident | 86 Ų | 86 | 107 Ų | 107 | 40% | 0.402 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 173.5 | -74.3 | -57.3 | 132.5 | 0 | 0 | 111.9 | E738 E739 K745 R746 | E738-E742 PolarHBondContact O-N 3.43Å; E739-E742 PolarHBondContact O-N 3.29Å; E742-K745 WeakPolarHBondContact O-CB 3.3Å; E742-K745 PolarHBondContact O-N 3.43Å; E742-K745 IonicContact OE1-NZ 3.61Å; E742-K745 PolarHBondContact OE1-NZ 2.9Å; E742-R746 WeakPolarHBondContact O-CG 3.32Å; E742-R746 PolarHBondContact O-N 2.95Å |
| 743 | E | 83.5 | Confident | 81.6 | Confident | 84 Ų | 84 | 107 Ų | 107 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 172.2 | -175.1 | 55.2 | -147.6 | 0 | 0 | 111.7 | E739 H741 K745 R746 Q747 | E739-E743 WeakPolarHBondContact O-CB 3.05Å; E739-E743 PolarHBondContact O-N 2.86Å; H741-E743 VanDerWaalsContact C-N 3.34Å; E743-K745 VanDerWaalsContact C-N 3.34Å; E743-K745 PolarHBondContact O-N 3.05Å; E743-R746 WeakPolarHBondContact O-CB 3.48Å; E743-R746 PolarHBondContact O-N 3.49Å; E743-R746 IonicContact OE2-NH1 3.29Å; E743-Q747 WeakPolarHBondContact O-CG 3.47Å; E743-Q747 PolarHBondContact O-N 3.47Å; E743-Q747 PolarHBondContact OE1-NE2 2.98Å |
| 744 | L | 81.2 | Confident | 81.8 | Confident | 87 Ų | 87 | 108 Ų | 108 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 171.5 | -101.7 | 144.7 | 0 | 0 | 0 | 112.4 | H740 H741 Q747 L748 | H740-L744 WeakPolarHBondContact CE1-CD1 3.27Å; H740-L744 VanDerWaalsContact ND1-CD1 3.34Å; H740-L744 WeakPolarHBondContact ND1-CD1 3.26Å; H740-L744 WeakPolarHBondContact O-CB 3.49Å; H740-L744 PolarHBondContact O-N 3.35Å; H741-L744 WeakPolarHBondContact O-CB 3.3Å; H741-L744 PolarHBondContact O-N 3.34Å; L744-Q747 PolarHBondContact O-N 2.98Å; L744-L748 WeakPolarHBondContact O-CB 3.47Å; L744-L748 PolarHBondContact O-N 3.36Å |
| 745 | K | 82.1 | Confident | 82 | Confident | 94 Ų | 94 | 109.5 Ų | 109.5 | 41% | 0.409 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.8 | -76.9 | -178.9 | -172.7 | 162.1 | 0 | 111.4 | H741 E742 E743 Q747 L748 V749 | H741-K745 WeakPolarHBondContact NE2-CE 3.39Å; H741-K745 WeakPolarHBondContact O-CG 3.4Å; H741-K745 PolarHBondContact O-N 3.14Å; E742-K745 WeakPolarHBondContact O-CB 3.3Å; E742-K745 PolarHBondContact O-N 3.43Å; E742-K745 IonicContact OE1-NZ 3.61Å; E742-K745 PolarHBondContact OE1-NZ 2.9Å; E743-K745 VanDerWaalsContact C-N 3.34Å; E743-K745 PolarHBondContact O-N 3.05Å; K745-Q747 VanDerWaalsContact C-N 3.34Å; K745-Q747 PolarHBondContact O-N 2.98Å; K745-L748 WeakPolarHBondContact O-CB 3.24Å; K745-L748 PolarHBondContact O-N 3.27Å; K745-V749 WeakPolarHBondContact O-CG2 3.24Å; K745-V749 PolarHBondContact O-N 3.44Å |
| 746 | R | 83.8 | Confident | 82 | Confident | 157 Ų | 157 | 109 Ų | 109 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 175.5 | -71 | 174.5 | -170.7 | -178.9 | 2.6 | 111.6 | E742 E743 V749 N750 | E742-R746 WeakPolarHBondContact O-CG 3.32Å; E742-R746 PolarHBondContact O-N 2.95Å; E743-R746 WeakPolarHBondContact O-CB 3.48Å; E743-R746 PolarHBondContact O-N 3.49Å; E743-R746 IonicContact OE2-NH1 3.29Å; R746-V749 PolarHBondContact O-N 2.93Å; R746-N750 PolarHBondContact O-N 3.33Å |
| 747 | Q | 83.6 | Confident | 82.3 | Confident | 96 Ų | 96 | 109.2 Ų | 109.2 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.8 | -70.8 | 175.7 | 20.3 | 0 | 0 | 112.2 | E743 L744 K745 N750 L751 | E743-Q747 WeakPolarHBondContact O-CG 3.47Å; E743-Q747 PolarHBondContact O-N 3.47Å; E743-Q747 PolarHBondContact OE1-NE2 2.98Å; L744-Q747 PolarHBondContact O-N 2.98Å; K745-Q747 VanDerWaalsContact C-N 3.34Å; K745-Q747 PolarHBondContact O-N 2.98Å; Q747-N750 PolarHBondContact O-N 2.85Å; Q747-L751 WeakPolarHBondContact O-CB 3.32Å; Q747-L751 PolarHBondContact O-N 3.43Å |
| 748 | L | 81.3 | Confident | 82.2 | Confident | 123 Ų | 123 | 104.7 Ų | 104.7 | 64% | 0.644 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 175.1 | -167.5 | 86.4 | 0 | 0 | 0 | 111.6 | L744 K745 L751 N752 | L744-L748 WeakPolarHBondContact O-CB 3.47Å; L744-L748 PolarHBondContact O-N 3.36Å; K745-L748 WeakPolarHBondContact O-CB 3.24Å; K745-L748 PolarHBondContact O-N 3.27Å; L748-L751 PolarHBondContact O-N 2.79Å; L748-N752 WeakPolarHBondContact O-CB 3.49Å; L748-N752 PolarHBondContact O-N 3.28Å |
| 749 | V | 83.7 | Confident | 82.2 | Confident | 80 Ų | 80 | 102.9 Ų | 102.9 | 49% | 0.485 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 176 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | K745 R746 N752 Q753 | K745-V749 WeakPolarHBondContact O-CG2 3.24Å; K745-V749 PolarHBondContact O-N 3.44Å; R746-V749 PolarHBondContact O-N 2.93Å; V749-N752 PolarHBondContact O-N 2.94Å; V749-Q753 WeakPolarHBondContact O-CG 3.49Å; V749-Q753 PolarHBondContact O-N 3.36Å |
| 750 | N | 85.1 | Confident | 82.4 | Confident | 90 Ų | 90 | 102.2 Ų | 102.2 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 176.5 | -72.2 | -13.1 | 0 | 0 | 0 | 111.9 | R746 Q747 N752 Q753 E754 | R746-N750 PolarHBondContact O-N 3.33Å; Q747-N750 PolarHBondContact O-N 2.85Å; N750-N752 VanDerWaalsContact C-N 3.28Å; N750-N752 PolarHBondContact O-N 3.39Å; N750-Q753 PolarHBondContact O-N 2.86Å; N750-E754 WeakPolarHBondContact O-CG 3.45Å; N750-E754 PolarHBondContact O-N 3.16Å |
| 751 | L | 82.1 | Confident | 82.7 | Confident | 110 Ų | 110 | 102.5 Ų | 102.5 | 58% | 0.576 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.5 | -38.8 | 174.6 | -88.4 | 162 | 0 | 0 | 0 | 112.1 | Q747 L748 E754 K755 | Q747-L751 WeakPolarHBondContact O-CB 3.32Å; Q747-L751 PolarHBondContact O-N 3.43Å; L748-L751 PolarHBondContact O-N 2.79Å; L751-E754 PolarHBondContact O-N 2.96Å; L751-K755 WeakPolarHBondContact O-CB 3.3Å; L751-K755 PolarHBondContact O-N 3.43Å |
| 752 | N | 82.1 | Confident | 82.7 | Confident | 82 Ų | 82 | 103.3 Ų | 103.3 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 177.7 | -159.6 | 51.7 | 0 | 0 | 0 | 111.7 | L748 V749 N750 K755 E756 | L748-N752 WeakPolarHBondContact O-CB 3.49Å; L748-N752 PolarHBondContact O-N 3.28Å; V749-N752 PolarHBondContact O-N 2.94Å; N750-N752 VanDerWaalsContact C-N 3.28Å; N750-N752 PolarHBondContact O-N 3.39Å; N752-K755 WeakPolarHBondContact O-CB 3.45Å; N752-K755 PolarHBondContact O-N 2.91Å; N752-E756 WeakPolarHBondContact O-CG 3.41Å; N752-E756 PolarHBondContact O-N 3.48Å |
| 753 | Q | 83.4 | Confident | 82.7 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 171.7 | -75.8 | -177.5 | -2.9 | 0 | 0 | 112.1 | V749 N750 K755 E756 Q757 | V749-Q753 WeakPolarHBondContact O-CG 3.49Å; V749-Q753 PolarHBondContact O-N 3.36Å; N750-Q753 PolarHBondContact O-N 2.86Å; Q753-K755 VanDerWaalsContact C-N 3.33Å; Q753-K755 PolarHBondContact O-N 3.24Å; Q753-E756 PolarHBondContact O-N 3.34Å; Q753-Q757 WeakPolarHBondContact O-CG 3.37Å; Q753-Q757 PolarHBondContact O-N 2.75Å |
| 754 | E | 83.2 | Confident | 82.7 | Confident | 126 Ų | 126 | 104.6 Ų | 104.6 | 59% | 0.589 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -39.7 | 174.5 | -75.4 | -176.3 | 174.7 | 0 | 0 | 111.8 | N750 L751 Q757 S758 | N750-E754 WeakPolarHBondContact O-CG 3.45Å; N750-E754 PolarHBondContact O-N 3.16Å; L751-E754 PolarHBondContact O-N 2.96Å; E754-Q757 PolarHBondContact O-N 2.87Å; E754-S758 VanDerWaalsContact O-CB 3.32Å; E754-S758 WeakPolarHBondContact O-CB 3.15Å; E754-S758 PolarHBondContact O-N 3.48Å |
| 755 | K | 82.8 | Confident | 82.8 | Confident | 130 Ų | 130 | 105.4 Ų | 105.4 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -46.3 | 173.3 | -176.8 | -175.7 | 176.6 | -174.1 | 0 | 111.3 | L751 N752 Q753 S758 I759 | L751-K755 WeakPolarHBondContact O-CB 3.3Å; L751-K755 PolarHBondContact O-N 3.43Å; N752-K755 WeakPolarHBondContact O-CB 3.45Å; N752-K755 PolarHBondContact O-N 2.91Å; Q753-K755 VanDerWaalsContact C-N 3.33Å; Q753-K755 PolarHBondContact O-N 3.24Å; K755-S758 WeakPolarHBondContact O-CB 3.46Å; K755-S758 PolarHBondContact O-N 2.81Å; K755-I759 HydrophobicContact CG-CD1 4.07Å; K755-I759 VanDerWaalsContact O-CG1 3.29Å; K755-I759 WeakPolarHBondContact O-CG1 3.45Å; K755-I759 PolarHBondContact O-N 3.12Å |
| 756 | E | 81.8 | Confident | 82.9 | Confident | 117 Ų | 117 | 104.4 Ų | 104.4 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.5 | -76.5 | 177.6 | -173.7 | 0 | 0 | 111.8 | N752 Q753 S758 I759 L760 | N752-E756 WeakPolarHBondContact O-CG 3.41Å; N752-E756 PolarHBondContact O-N 3.48Å; Q753-E756 PolarHBondContact O-N 3.34Å; E756-S758 VanDerWaalsContact C-N 3.33Å; E756-S758 PolarHBondContact O-N 2.94Å; E756-I759 PolarHBondContact O-N 2.83Å; E756-L760 WeakPolarHBondContact O-CB 3.19Å; E756-L760 PolarHBondContact O-N 3.3Å |
| 757 | Q | 84.8 | Confident | 83 | Confident | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 174.3 | -72.7 | -176.4 | 14.5 | 0 | 0 | 112.5 | Q753 E754 L760 K761 | Q753-Q757 WeakPolarHBondContact O-CG 3.37Å; Q753-Q757 PolarHBondContact O-N 2.75Å; E754-Q757 PolarHBondContact O-N 2.87Å; Q757-L760 PolarHBondContact O-N 3.43Å; Q757-K761 WeakPolarHBondContact O-CG 3.42Å; Q757-K761 PolarHBondContact O-N 3.38Å |
| 758 | S | 80.8 | Confident | 83.1 | Confident | 59 Ų | 59 | 101 Ų | 101 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 175.8 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | E754 K755 E756 L760 K761 Q762 | E754-S758 VanDerWaalsContact O-CB 3.32Å; E754-S758 WeakPolarHBondContact O-CB 3.15Å; E754-S758 PolarHBondContact O-N 3.48Å; K755-S758 WeakPolarHBondContact O-CB 3.46Å; K755-S758 PolarHBondContact O-N 2.81Å; E756-S758 VanDerWaalsContact C-N 3.33Å; E756-S758 PolarHBondContact O-N 2.94Å; S758-L760 VanDerWaalsContact C-N 3.34Å; S758-L760 PolarHBondContact O-N 2.94Å; S758-K761 PolarHBondContact O-N 2.95Å; S758-Q762 WeakPolarHBondContact O-CG 3.5Å; S758-Q762 PolarHBondContact O-N 2.9Å |
| 759 | I | 80.6 | Confident | 83.2 | Confident | 77 Ų | 77 | 99.9 Ų | 99.9 | 40% | 0.395 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 173 | -68.3 | 165.7 | 0 | 0 | 0 | 110.2 | K755 E756 K761 Q762 I763 | K755-I759 HydrophobicContact CG-CD1 4.07Å; K755-I759 VanDerWaalsContact O-CG1 3.29Å; K755-I759 WeakPolarHBondContact O-CG1 3.45Å; K755-I759 PolarHBondContact O-N 3.12Å; E756-I759 PolarHBondContact O-N 2.83Å; I759-K761 VanDerWaalsContact C-N 3.34Å; I759-K761 PolarHBondContact O-N 3.32Å; I759-Q762 WeakPolarHBondContact O-CB 3.29Å; I759-Q762 PolarHBondContact O-N 3.11Å; I759-I763 HydrophobicContact CG2-CD1 3.88Å; I759-I763 HydrophobicContact CG2-CG1 4.44Å; I759-I763 WeakPolarHBondContact O-CG1 3.32Å; I759-I763 PolarHBondContact O-N 3.37Å |
| 760 | L | 84.4 | Confident | 83.2 | Confident | 107 Ų | 107 | 100.2 Ų | 100.2 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 177.2 | -151.5 | 87.7 | 0 | 0 | 0 | 111.6 | E756 Q757 S758 I763 Q764 | E756-L760 WeakPolarHBondContact O-CB 3.19Å; E756-L760 PolarHBondContact O-N 3.3Å; Q757-L760 PolarHBondContact O-N 3.43Å; S758-L760 VanDerWaalsContact C-N 3.34Å; S758-L760 PolarHBondContact O-N 2.94Å; L760-I763 PolarHBondContact O-N 2.89Å; L760-Q764 WeakPolarHBondContact O-CG 3.3Å; L760-Q764 PolarHBondContact O-N 3.02Å |
| 761 | K | 85.4 | Confident | 83.3 | Confident | 126 Ų | 126 | 100.2 Ų | 100.2 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 173.6 | -76.4 | 176.1 | -177.9 | 173.1 | 0 | 111.9 | Q757 S758 I759 Q764 L765 | Q757-K761 WeakPolarHBondContact O-CG 3.42Å; Q757-K761 PolarHBondContact O-N 3.38Å; S758-K761 PolarHBondContact O-N 2.95Å; I759-K761 VanDerWaalsContact C-N 3.34Å; I759-K761 PolarHBondContact O-N 3.32Å; K761-Q764 PolarHBondContact O-N 3.43Å; K761-L765 WeakPolarHBondContact O-CB 3.28Å; K761-L765 WeakPolarHBondContact O-CD1 3.4Å; K761-L765 PolarHBondContact O-N 3.35Å |
| 762 | Q | 80 | Confident | 83.3 | Confident | 119 Ų | 119 | 98.6 Ų | 98.6 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | 174.6 | -78.2 | -179.2 | 8.7 | 0 | 0 | 111.3 | S758 I759 Q764 L765 T766 | S758-Q762 WeakPolarHBondContact O-CG 3.5Å; S758-Q762 PolarHBondContact O-N 2.9Å; I759-Q762 WeakPolarHBondContact O-CB 3.29Å; I759-Q762 PolarHBondContact O-N 3.11Å; Q762-Q764 VanDerWaalsContact C-N 3.31Å; Q762-Q764 PolarHBondContact O-N 2.85Å; Q762-L765 CarbonylContact O-C 3.55Å; Q762-L765 WeakPolarHBondContact O-CB 3.49Å; Q762-L765 PolarHBondContact O-N 2.81Å; Q762-L765 VanDerWaalsContact O-N 3.15Å; Q762-T766 PolarHBondContact O-N 2.8Å; Q762-T766 PolarHBondContact O-OG1 3.02Å |
| 763 | I | 81.2 | Confident | 83.5 | Confident | 90 Ų | 90 | 98.3 Ų | 98.3 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 175.7 | -68.1 | 165.6 | 0 | 0 | 0 | 110.7 | I759 L760 T766 N767 | I759-I763 HydrophobicContact CG2-CD1 3.88Å; I759-I763 HydrophobicContact CG2-CG1 4.44Å; I759-I763 WeakPolarHBondContact O-CG1 3.32Å; I759-I763 PolarHBondContact O-N 3.37Å; L760-I763 PolarHBondContact O-N 2.89Å; I763-T766 PolarHBondContact O-N 3.35Å; I763-N767 WeakPolarHBondContact O-CB 3.48Å; I763-N767 VanDerWaalsContact O-CG 3.26Å; I763-N767 PolarHBondContact O-N 2.71Å |
| 764 | Q | 82.7 | Confident | 83.5 | Confident | 106 Ų | 106 | 97.7 Ų | 97.7 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 174.6 | -75.1 | 176.8 | -11.3 | 0 | 0 | 112.4 | L760 K761 Q762 N767 N768 | L760-Q764 WeakPolarHBondContact O-CG 3.3Å; L760-Q764 PolarHBondContact O-N 3.02Å; K761-Q764 PolarHBondContact O-N 3.43Å; Q762-Q764 VanDerWaalsContact C-N 3.31Å; Q762-Q764 PolarHBondContact O-N 2.85Å; Q764-N767 PolarHBondContact O-N 3.37Å; Q764-N768 VanDerWaalsContact O-CG 3.23Å; Q764-N768 PolarHBondContact O-N 3.3Å; Q764-N768 PolarHBondContact O-ND2 3.47Å |
| 765 | L | 83.6 | Confident | 83.5 | Confident | 105 Ų | 105 | 97.6 Ų | 97.6 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.3 | -97.4 | 136 | 0 | 0 | 0 | 111.9 | K761 Q762 N767 N768 I769 | K761-L765 WeakPolarHBondContact O-CB 3.28Å; K761-L765 WeakPolarHBondContact O-CD1 3.4Å; K761-L765 PolarHBondContact O-N 3.35Å; Q762-L765 CarbonylContact O-C 3.55Å; Q762-L765 WeakPolarHBondContact O-CB 3.49Å; Q762-L765 PolarHBondContact O-N 2.81Å; Q762-L765 VanDerWaalsContact O-N 3.15Å; L765-N767 VanDerWaalsContact C-N 3.34Å; L765-N767 PolarHBondContact O-N 3.43Å; L765-N768 PolarHBondContact O-N 2.98Å; L765-I769 WeakPolarHBondContact O-CB 3.31Å; L765-I769 VanDerWaalsContact O-CG1 3.26Å; L765-I769 WeakPolarHBondContact O-CG1 3.41Å; L765-I769 PolarHBondContact O-N 2.85Å |
| 766 | T | 84.3 | Confident | 83.5 | Confident | 73 Ų | 73 | 96 Ų | 96 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | Q762 I763 I769 N770 | Q762-T766 PolarHBondContact O-N 2.8Å; Q762-T766 PolarHBondContact O-OG1 3.02Å; I763-T766 PolarHBondContact O-N 3.35Å; T766-I769 PolarHBondContact O-N 2.82Å; T766-N770 WeakPolarHBondContact O-CB 3.47Å; T766-N770 PolarHBondContact O-N 3.31Å |
| 767 | N | 85.5 | Confident | 83.7 | Confident | 85 Ų | 85 | 94.6 Ų | 94.6 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 174.3 | -71.8 | -14.9 | 0 | 0 | 0 | 111.5 | I763 Q764 L765 I769 N770 D771 | I763-N767 WeakPolarHBondContact O-CB 3.48Å; I763-N767 VanDerWaalsContact O-CG 3.26Å; I763-N767 PolarHBondContact O-N 2.71Å; Q764-N767 PolarHBondContact O-N 3.37Å; L765-N767 VanDerWaalsContact C-N 3.34Å; L765-N767 PolarHBondContact O-N 3.43Å; N767-I769 VanDerWaalsContact C-N 3.34Å; N767-I769 PolarHBondContact O-N 3Å; N767-N770 PolarHBondContact O-N 3.36Å; N767-D771 PolarHBondContact O-N 2.96Å |
| 768 | N | 86.9 | Confident | 83.6 | Confident | 97 Ų | 97 | 96.3 Ų | 96.3 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 175.6 | -69.3 | -16.5 | 0 | 0 | 0 | 112.1 | Q764 L765 D771 V772 | Q764-N768 VanDerWaalsContact O-CG 3.23Å; Q764-N768 PolarHBondContact O-N 3.3Å; Q764-N768 PolarHBondContact O-ND2 3.47Å; L765-N768 PolarHBondContact O-N 2.98Å; N768-D771 PolarHBondContact O-N 2.97Å; N768-V772 WeakPolarHBondContact O-CB 3.48Å; N768-V772 VanDerWaalsContact O-CG2 3.24Å; N768-V772 WeakPolarHBondContact O-CG2 3.5Å; N768-V772 PolarHBondContact O-N 2.78Å |
| 769 | I | 83.2 | Confident | 83.7 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.5 | -71.3 | 165.8 | 0 | 0 | 0 | 110 | L765 T766 N767 V772 T773 | L765-I769 WeakPolarHBondContact O-CB 3.31Å; L765-I769 VanDerWaalsContact O-CG1 3.26Å; L765-I769 WeakPolarHBondContact O-CG1 3.41Å; L765-I769 PolarHBondContact O-N 2.85Å; T766-I769 PolarHBondContact O-N 2.82Å; N767-I769 VanDerWaalsContact C-N 3.34Å; N767-I769 PolarHBondContact O-N 3Å; I769-V772 PolarHBondContact O-N 3.43Å; I769-T773 VanDerWaalsContact O-CB 3.24Å; I769-T773 WeakPolarHBondContact O-CB 3.42Å; I769-T773 PolarHBondContact O-N 3.22Å; I769-T773 PolarHBondContact O-OG1 3.31Å |
| 770 | N | 83.9 | Confident | 83.9 | Confident | 86 Ų | 86 | 100.8 Ų | 100.8 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 176 | -80.4 | -11.2 | 0 | 0 | 0 | 111.6 | T766 N767 T773 I774 | T766-N770 WeakPolarHBondContact O-CB 3.47Å; T766-N770 PolarHBondContact O-N 3.31Å; N767-N770 PolarHBondContact O-N 3.36Å; N770-T773 WeakPolarHBondContact O-CB 3.33Å; N770-T773 PolarHBondContact O-N 3.46Å; N770-I774 WeakPolarHBondContact O-CB 3.33Å; N770-I774 VanDerWaalsContact O-CG1 3.27Å; N770-I774 WeakPolarHBondContact O-CG1 3.21Å; N770-I774 PolarHBondContact O-N 3.29Å |
| 771 | D | 86.2 | Confident | 83.9 | Confident | 91 Ų | 91 | 100.5 Ų | 100.5 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 176.9 | -77.9 | -12.1 | 0 | 0 | 0 | 111.6 | N767 N768 T773 I774 Q775 | N767-D771 PolarHBondContact O-N 2.96Å; N768-D771 PolarHBondContact O-N 2.97Å; D771-T773 VanDerWaalsContact C-N 3.31Å; D771-T773 PolarHBondContact O-N 2.95Å; D771-I774 PolarHBondContact O-N 3.07Å; D771-Q775 WeakPolarHBondContact O-CB 3.32Å; D771-Q775 VanDerWaalsContact O-CG 3.32Å; D771-Q775 WeakPolarHBondContact O-CG 3.49Å; D771-Q775 PolarHBondContact O-N 3.05Å |
| 772 | V | 83.5 | Confident | 83.9 | Confident | 76 Ų | 76 | 99.6 Ų | 99.6 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 175 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | N768 I769 Q775 L776 | N768-V772 WeakPolarHBondContact O-CB 3.48Å; N768-V772 VanDerWaalsContact O-CG2 3.24Å; N768-V772 WeakPolarHBondContact O-CG2 3.5Å; N768-V772 PolarHBondContact O-N 2.78Å; I769-V772 PolarHBondContact O-N 3.43Å; V772-Q775 PolarHBondContact O-N 3.07Å; V772-L776 HydrophobicContact CG1-CD1 3.95Å; V772-L776 HydrophobicContact CG1-CG 4.48Å; V772-L776 WeakPolarHBondContact O-CB 3.4Å; V772-L776 WeakPolarHBondContact O-CG 3.41Å; V772-L776 PolarHBondContact O-N 3.16Å |
| 773 | T | 84.5 | Confident | 84.1 | Confident | 76 Ų | 76 | 98.1 Ų | 98.1 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 177 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | I769 N770 D771 L776 E777 | I769-T773 VanDerWaalsContact O-CB 3.24Å; I769-T773 WeakPolarHBondContact O-CB 3.42Å; I769-T773 PolarHBondContact O-N 3.22Å; I769-T773 PolarHBondContact O-OG1 3.31Å; N770-T773 WeakPolarHBondContact O-CB 3.33Å; N770-T773 PolarHBondContact O-N 3.46Å; D771-T773 VanDerWaalsContact C-N 3.31Å; D771-T773 PolarHBondContact O-N 2.95Å; T773-L776 PolarHBondContact O-N 3.39Å; T773-E777 WeakPolarHBondContact O-CB 3.27Å; T773-E777 PolarHBondContact O-N 3.46Å |
| 774 | I | 83.6 | Confident | 84.3 | Confident | 89 Ų | 89 | 95.4 Ų | 95.4 | 46% | 0.456 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 174.1 | -70 | 165.6 | 0 | 0 | 0 | 110 | N770 D771 L776 E777 Y778 | N770-I774 WeakPolarHBondContact O-CB 3.33Å; N770-I774 VanDerWaalsContact O-CG1 3.27Å; N770-I774 WeakPolarHBondContact O-CG1 3.21Å; N770-I774 PolarHBondContact O-N 3.29Å; D771-I774 PolarHBondContact O-N 3.07Å; I774-L776 PolarHBondContact O-N 3.03Å; I774-E777 PolarHBondContact O-N 2.86Å; I774-Y778 HydrophobicContact CG2-CD2 3.64Å; I774-Y778 HydrophobicContact CG2-CE2 3.54Å; I774-Y778 VanDerWaalsContact O-CD2 3.24Å; I774-Y778 WeakPolarHBondContact O-CD2 3.44Å; I774-Y778 PolarHBondContact O-N 3.39Å |
| 775 | Q | 83 | Confident | 84.4 | Confident | 125 Ų | 125 | 95.3 Ų | 95.3 | 58% | 0.584 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.5 | -39.6 | 176.4 | -73.3 | 177.6 | 12.7 | 0 | 0 | 112.7 | D771 V772 Y778 S779 | D771-Q775 WeakPolarHBondContact O-CB 3.32Å; D771-Q775 VanDerWaalsContact O-CG 3.32Å; D771-Q775 WeakPolarHBondContact O-CG 3.49Å; D771-Q775 PolarHBondContact O-N 3.05Å; V772-Q775 PolarHBondContact O-N 3.07Å; Q775-Y778 PolarHBondContact O-N 2.66Å; Q775-S779 WeakPolarHBondContact O-CB 3.47Å; Q775-S779 PolarHBondContact O-N 2.99Å; Q775-S779 PolarHBondContact O-OG 3.33Å |
| 776 | L | 83.6 | Confident | 84.4 | Confident | 95 Ų | 95 | 95.4 Ų | 95.4 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 174.5 | -84.8 | 165.5 | 0 | 0 | 0 | 111.5 | V772 T773 I774 S779 R780 | V772-L776 HydrophobicContact CG1-CD1 3.95Å; V772-L776 HydrophobicContact CG1-CG 4.48Å; V772-L776 WeakPolarHBondContact O-CB 3.4Å; V772-L776 WeakPolarHBondContact O-CG 3.41Å; V772-L776 PolarHBondContact O-N 3.16Å; T773-L776 PolarHBondContact O-N 3.39Å; I774-L776 PolarHBondContact O-N 3.03Å; L776-S779 PolarHBondContact O-N 3.32Å; L776-R780 WeakPolarHBondContact O-CB 3.29Å; L776-R780 VanDerWaalsContact O-CG 3.29Å; L776-R780 WeakPolarHBondContact O-CG 3.45Å; L776-R780 PolarHBondContact O-N 2.89Å |
| 777 | E | 85.1 | Confident | 84.4 | Confident | 88 Ų | 88 | 98.5 Ų | 98.5 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.1 | -44.1 | 176.7 | -170 | 56.1 | -147.3 | 0 | 0 | 111.3 | T773 I774 S779 R780 Q781 | T773-E777 WeakPolarHBondContact O-CB 3.27Å; T773-E777 PolarHBondContact O-N 3.46Å; I774-E777 PolarHBondContact O-N 2.86Å; E777-S779 VanDerWaalsContact C-N 3.33Å; E777-S779 PolarHBondContact O-N 3.01Å; E777-R780 PolarHBondContact O-N 2.94Å; E777-Q781 WeakPolarHBondContact O-CG 3.47Å; E777-Q781 PolarHBondContact O-N 3.43Å |
| 778 | Y | 84.1 | Confident | 84.3 | Confident | 154 Ų | 154 | 100.4 Ų | 100.4 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.2 | -44.9 | 170.4 | -85 | -69.1 | 0 | 0 | 0 | 111.7 | I774 Q775 R780 Q781 E782 | I774-Y778 HydrophobicContact CG2-CD2 3.64Å; I774-Y778 HydrophobicContact CG2-CE2 3.54Å; I774-Y778 VanDerWaalsContact O-CD2 3.24Å; I774-Y778 WeakPolarHBondContact O-CD2 3.44Å; I774-Y778 PolarHBondContact O-N 3.39Å; Q775-Y778 PolarHBondContact O-N 2.66Å; Y778-R780 VanDerWaalsContact C-N 3.34Å; Y778-R780 PolarHBondContact O-N 3.3Å; Y778-Q781 PolarHBondContact O-N 3.11Å; Y778-E782 WeakPolarHBondContact O-CB 3.33Å; Y778-E782 PolarHBondContact O-N 3.03Å |
| 779 | S | 83.2 | Confident | 84.3 | Confident | 62 Ų | 62 | 102.9 Ų | 102.9 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 178 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | Q775 L776 E777 E782 I783 | Q775-S779 WeakPolarHBondContact O-CB 3.47Å; Q775-S779 PolarHBondContact O-N 2.99Å; Q775-S779 PolarHBondContact O-OG 3.33Å; L776-S779 PolarHBondContact O-N 3.32Å; E777-S779 VanDerWaalsContact C-N 3.33Å; E777-S779 PolarHBondContact O-N 3.01Å; S779-E782 PolarHBondContact O-N 3.42Å; S779-I783 WeakPolarHBondContact O-CB 3.47Å; S779-I783 WeakPolarHBondContact O-CG1 3.24Å; S779-I783 PolarHBondContact O-N 3.43Å |
| 780 | R | 84.1 | Confident | 84.3 | Confident | 167 Ų | 167 | 103.8 Ų | 103.8 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -43.8 | 174.4 | -79.3 | 173.7 | 174.4 | -175.7 | -1.9 | 111.7 | L776 E777 Y778 I783 G784 | L776-R780 WeakPolarHBondContact O-CB 3.29Å; L776-R780 VanDerWaalsContact O-CG 3.29Å; L776-R780 WeakPolarHBondContact O-CG 3.45Å; L776-R780 PolarHBondContact O-N 2.89Å; E777-R780 PolarHBondContact O-N 2.94Å; Y778-R780 VanDerWaalsContact C-N 3.34Å; Y778-R780 PolarHBondContact O-N 3.3Å; R780-I783 PolarHBondContact O-N 3.16Å; R780-G784 PolarHBondContact O-N 3.48Å |
| 781 | Q | 84.8 | Confident | 84.5 | Confident | 101 Ų | 101 | 105.4 Ų | 105.4 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 175.3 | -71.7 | 179.3 | 11.9 | 0 | 0 | 111.3 | E777 Y778 G784 Q785 | E777-Q781 WeakPolarHBondContact O-CG 3.47Å; E777-Q781 PolarHBondContact O-N 3.43Å; Y778-Q781 PolarHBondContact O-N 3.11Å; Q781-G784 PolarHBondContact O-N 3.38Å; Q781-Q785 WeakPolarHBondContact O-CG 3.25Å; Q781-Q785 PolarHBondContact O-N 2.78Å |
| 782 | E | 85.3 | Confident | 84.5 | Confident | 107 Ų | 107 | 106.4 Ų | 106.4 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 176.1 | -171.2 | 113.2 | -145.3 | 0 | 0 | 111.8 | Y778 S779 G784 Q785 Q786 | Y778-E782 WeakPolarHBondContact O-CB 3.33Å; Y778-E782 PolarHBondContact O-N 3.03Å; S779-E782 PolarHBondContact O-N 3.42Å; E782-G784 VanDerWaalsContact C-N 3.3Å; E782-G784 PolarHBondContact O-N 3Å; E782-Q785 PolarHBondContact O-N 2.84Å; E782-Q786 WeakPolarHBondContact O-CG 3.44Å; E782-Q786 PolarHBondContact O-N 3.34Å |
| 783 | I | 83.3 | Confident | 84.6 | Confident | 89 Ų | 89 | 107 Ų | 107 | 46% | 0.456 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 173.4 | -70.4 | 165.6 | 0 | 0 | 0 | 110.6 | S779 R780 Q786 K787 | S779-I783 WeakPolarHBondContact O-CB 3.47Å; S779-I783 WeakPolarHBondContact O-CG1 3.24Å; S779-I783 PolarHBondContact O-N 3.43Å; R780-I783 PolarHBondContact O-N 3.16Å; I783-Q786 PolarHBondContact O-N 3.02Å; I783-K787 HydrophobicContact CG2-CD 4.44Å; I783-K787 WeakPolarHBondContact O-CB 3.48Å; I783-K787 WeakPolarHBondContact O-CG 3.43Å; I783-K787 PolarHBondContact O-N 3.47Å |
| 784 | G | 85.4 | Confident | 84.7 | Confident | 33 Ų | 33 | 109 Ų | 109 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R780 Q781 E782 K787 L788 | R780-G784 PolarHBondContact O-N 3.48Å; Q781-G784 PolarHBondContact O-N 3.38Å; E782-G784 VanDerWaalsContact C-N 3.3Å; E782-G784 PolarHBondContact O-N 3Å; G784-K787 PolarHBondContact O-N 3.19Å; G784-L788 PolarHBondContact O-N 3.5Å |
| 785 | Q | 85 | Confident | 84.8 | Confident | 103 Ų | 103 | 108.5 Ų | 108.5 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 174.6 | -71.7 | -174.2 | 14.8 | 0 | 0 | 112.2 | Q781 E782 L788 R789 | Q781-Q785 WeakPolarHBondContact O-CG 3.25Å; Q781-Q785 PolarHBondContact O-N 2.78Å; E782-Q785 PolarHBondContact O-N 2.84Å; Q785-L788 WeakPolarHBondContact O-CB 3.32Å; Q785-L788 PolarHBondContact O-N 2.99Å; Q785-R789 WeakPolarHBondContact O-CG 3.48Å; Q785-R789 PolarHBondContact O-N 3.24Å |
| 786 | Q | 83.8 | Confident | 85 | Confident | 108 Ų | 108 | 107.6 Ų | 107.6 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 175.3 | -75.9 | -177.3 | 0.8 | 0 | 0 | 111.4 | E782 I783 L788 R789 E790 | E782-Q786 WeakPolarHBondContact O-CG 3.44Å; E782-Q786 PolarHBondContact O-N 3.34Å; I783-Q786 PolarHBondContact O-N 3.02Å; Q786-L788 VanDerWaalsContact C-N 3.3Å; Q786-L788 PolarHBondContact O-N 3.41Å; Q786-R789 CarbonylContact O-C 3.59Å; Q786-R789 WeakPolarHBondContact O-CB 3.46Å; Q786-R789 PolarHBondContact O-N 3.45Å; Q786-R789 VanDerWaalsContact O-N 3.13Å; Q786-E790 VanDerWaalsContact O-CB 3.29Å; Q786-E790 WeakPolarHBondContact O-CB 3.31Å; Q786-E790 PolarHBondContact O-N 3.02Å |
| 787 | K | 84.3 | Confident | 85.2 | Confident | 138 Ų | 138 | 107.4 Ų | 107.4 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.4 | -39 | 174.1 | -77.7 | -176.1 | 177.2 | -176 | 0 | 112.5 | I783 G784 E790 K791 | I783-K787 HydrophobicContact CG2-CD 4.44Å; I783-K787 WeakPolarHBondContact O-CB 3.48Å; I783-K787 WeakPolarHBondContact O-CG 3.43Å; I783-K787 PolarHBondContact O-N 3.47Å; G784-K787 PolarHBondContact O-N 3.19Å; K787-E790 PolarHBondContact O-N 3.48Å; K787-K791 VanDerWaalsContact O-CB 3.29Å; K787-K791 WeakPolarHBondContact O-CB 3.45Å; K787-K791 PolarHBondContact O-N 3.35Å |
| 788 | L | 84.4 | Confident | 85.3 | Confident | 124 Ų | 124 | 109.1 Ų | 109.1 | 65% | 0.649 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 173.5 | -91.4 | 155.8 | 0 | 0 | 0 | 111.9 | G784 Q785 Q786 K791 L792 | G784-L788 PolarHBondContact O-N 3.5Å; Q785-L788 WeakPolarHBondContact O-CB 3.32Å; Q785-L788 PolarHBondContact O-N 2.99Å; Q786-L788 VanDerWaalsContact C-N 3.3Å; Q786-L788 PolarHBondContact O-N 3.41Å; L788-K791 PolarHBondContact O-N 3.47Å; L788-L792 WeakPolarHBondContact O-CB 3.32Å; L788-L792 PolarHBondContact O-N 2.91Å |
| 789 | R | 85.8 | Confident | 85.5 | Confident | 150 Ų | 150 | 110.2 Ų | 110.2 | 57% | 0.566 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 174.9 | -70.1 | 177.7 | -167.4 | 173.7 | 8.5 | 111.6 | Q785 Q786 L792 I793 | Q785-R789 WeakPolarHBondContact O-CG 3.48Å; Q785-R789 PolarHBondContact O-N 3.24Å; Q786-R789 CarbonylContact O-C 3.59Å; Q786-R789 WeakPolarHBondContact O-CB 3.46Å; Q786-R789 PolarHBondContact O-N 3.45Å; Q786-R789 VanDerWaalsContact O-N 3.13Å; R789-L792 WeakPolarHBondContact O-CB 3.39Å; R789-L792 PolarHBondContact O-N 3.49Å; R789-I793 VanDerWaalsContact O-CG1 3.3Å; R789-I793 WeakPolarHBondContact O-CG1 3.48Å; R789-I793 PolarHBondContact O-N 2.91Å |
| 790 | E | 83.7 | Confident | 85.6 | Confident | 117 Ų | 117 | 111.3 Ų | 111.3 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 179.3 | -163.8 | 173.1 | -150 | 0 | 0 | 110.8 | Q786 K787 I793 Q794 | Q786-E790 VanDerWaalsContact O-CB 3.29Å; Q786-E790 WeakPolarHBondContact O-CB 3.31Å; Q786-E790 PolarHBondContact O-N 3.02Å; K787-E790 PolarHBondContact O-N 3.48Å; E790-I793 PolarHBondContact O-N 3.39Å; E790-Q794 WeakPolarHBondContact O-CB 3.43Å; E790-Q794 VanDerWaalsContact O-CG 3.32Å; E790-Q794 WeakPolarHBondContact O-CG 3.19Å; E790-Q794 PolarHBondContact O-N 2.92Å |
| 791 | K | 87 | Confident | 85.8 | Confident | 120 Ų | 120 | 107.7 Ų | 107.7 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 171.8 | -169.2 | -177.5 | 179.9 | -169.9 | 0 | 111.9 | K787 L788 I793 Q794 E795 | K787-K791 VanDerWaalsContact O-CB 3.29Å; K787-K791 WeakPolarHBondContact O-CB 3.45Å; K787-K791 PolarHBondContact O-N 3.35Å; L788-K791 PolarHBondContact O-N 3.47Å; K791-I793 VanDerWaalsContact C-N 3.35Å; K791-I793 PolarHBondContact O-N 2.89Å; K791-Q794 PolarHBondContact O-N 3.07Å; K791-E795 VanDerWaalsContact CE-OE1 3.32Å; K791-E795 WeakPolarHBondContact CE-OE1 3.24Å; K791-E795 WeakPolarHBondContact O-CB 3.37Å; K791-E795 WeakPolarHBondContact O-CG 3.33Å; K791-E795 PolarHBondContact O-N 2.81Å |
| 792 | L | 86.8 | Confident | 86 | Confident | 113 Ų | 113 | 107 Ų | 107 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 176.3 | -158.6 | 96.3 | 0 | 0 | 0 | 111.5 | L788 R789 E795 Q796 | L788-L792 WeakPolarHBondContact O-CB 3.32Å; L788-L792 PolarHBondContact O-N 2.91Å; R789-L792 WeakPolarHBondContact O-CB 3.39Å; R789-L792 PolarHBondContact O-N 3.49Å; L792-E795 PolarHBondContact O-N 3.15Å; L792-Q796 VanDerWaalsContact O-CB 3.31Å; L792-Q796 WeakPolarHBondContact O-CB 3.49Å; L792-Q796 PolarHBondContact O-N 3.37Å |
| 793 | I | 85.9 | Confident | 86.1 | Confident | 89 Ų | 89 | 107.1 Ų | 107.1 | 46% | 0.456 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 175.6 | -69.1 | 166.5 | 0 | 0 | 0 | 110.8 | R789 E790 K791 Q796 N797 | R789-I793 VanDerWaalsContact O-CG1 3.3Å; R789-I793 WeakPolarHBondContact O-CG1 3.48Å; R789-I793 PolarHBondContact O-N 2.91Å; E790-I793 PolarHBondContact O-N 3.39Å; K791-I793 VanDerWaalsContact C-N 3.35Å; K791-I793 PolarHBondContact O-N 2.89Å; I793-Q796 PolarHBondContact O-N 3.32Å; I793-N797 WeakPolarHBondContact O-CB 3.4Å; I793-N797 VanDerWaalsContact O-CG 3.25Å; I793-N797 PolarHBondContact O-N 3.13Å |
| 794 | Q | 87 | Confident | 86.3 | Confident | 117 Ų | 117 | 108.1 Ų | 108.1 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 175 | -78.6 | 177.5 | -2.1 | 0 | 0 | 111.3 | E790 K791 Q796 N797 Q798 | E790-Q794 WeakPolarHBondContact O-CB 3.43Å; E790-Q794 VanDerWaalsContact O-CG 3.32Å; E790-Q794 WeakPolarHBondContact O-CG 3.19Å; E790-Q794 PolarHBondContact O-N 2.92Å; K791-Q794 PolarHBondContact O-N 3.07Å; Q794-Q796 VanDerWaalsContact C-N 3.31Å; Q794-Q796 PolarHBondContact O-N 3.01Å; Q794-N797 PolarHBondContact O-N 3.24Å; Q794-Q798 WeakPolarHBondContact O-CB 3.43Å; Q794-Q798 PolarHBondContact O-N 3.32Å |
| 795 | E | 84.7 | Confident | 86.3 | Confident | 78 Ų | 78 | 109.5 Ų | 109.5 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 173.9 | -75.5 | 177.7 | -165.3 | 0 | 0 | 111.2 | K791 L792 Q798 R799 | K791-E795 VanDerWaalsContact CE-OE1 3.32Å; K791-E795 WeakPolarHBondContact CE-OE1 3.24Å; K791-E795 WeakPolarHBondContact O-CB 3.37Å; K791-E795 WeakPolarHBondContact O-CG 3.33Å; K791-E795 PolarHBondContact O-N 2.81Å; L792-E795 PolarHBondContact O-N 3.15Å; E795-Q798 PolarHBondContact O-N 3.13Å; E795-R799 VanDerWaalsContact O-CG 3.28Å; E795-R799 WeakPolarHBondContact O-CG 3.4Å; E795-R799 PolarHBondContact O-N 3.06Å |
| 796 | Q | 88.3 | Confident | 86.4 | Confident | 107 Ų | 107 | 110.2 Ų | 110.2 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 175.6 | -172.8 | 175.6 | 2.2 | 0 | 0 | 112.2 | L792 I793 Q794 Q798 R799 L800 | L792-Q796 VanDerWaalsContact O-CB 3.31Å; L792-Q796 WeakPolarHBondContact O-CB 3.49Å; L792-Q796 PolarHBondContact O-N 3.37Å; I793-Q796 PolarHBondContact O-N 3.32Å; Q794-Q796 VanDerWaalsContact C-N 3.31Å; Q794-Q796 PolarHBondContact O-N 3.01Å; Q796-Q798 VanDerWaalsContact C-N 3.32Å; Q796-Q798 PolarHBondContact O-N 3.12Å; Q796-R799 WeakPolarHBondContact O-CB 3.25Å; Q796-R799 PolarHBondContact O-N 3.4Å; Q796-L800 HydrophobicContact CG-CD1 4.28Å; Q796-L800 WeakPolarHBondContact O-CB 3.25Å; Q796-L800 WeakPolarHBondContact O-CG 3.47Å; Q796-L800 PolarHBondContact O-N 3.37Å |
| 797 | N | 87.5 | Confident | 86.6 | Confident | 90 Ų | 90 | 109.5 Ų | 109.5 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 175.2 | -76.4 | -15.4 | 0 | 0 | 0 | 111.2 | I793 Q794 L800 E801 | I793-N797 WeakPolarHBondContact O-CB 3.4Å; I793-N797 VanDerWaalsContact O-CG 3.25Å; I793-N797 PolarHBondContact O-N 3.13Å; Q794-N797 PolarHBondContact O-N 3.24Å; N797-L800 PolarHBondContact O-N 3.48Å; N797-E801 WeakPolarHBondContact O-CB 3.46Å; N797-E801 PolarHBondContact O-N 3.1Å |
| 798 | Q | 88.1 | Confident | 86.8 | Confident | 124 Ų | 124 | 107.8 Ų | 107.8 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.8 | -40.5 | 175 | -170.2 | 169.7 | 14.2 | 0 | 0 | 111.2 | Q794 E795 Q796 E801 N802 | Q794-Q798 WeakPolarHBondContact O-CB 3.43Å; Q794-Q798 PolarHBondContact O-N 3.32Å; E795-Q798 PolarHBondContact O-N 3.13Å; Q796-Q798 VanDerWaalsContact C-N 3.32Å; Q796-Q798 PolarHBondContact O-N 3.12Å; Q798-E801 PolarHBondContact O-N 3.33Å; Q798-N802 VanDerWaalsContact O-CB 3.3Å; Q798-N802 WeakPolarHBondContact O-CB 3.28Å; Q798-N802 PolarHBondContact O-N 3.45Å; Q798-N802 PolarHBondContact O-ND2 2.94Å; Q798-N802 PolarHBondContact O-OD1 2.83Å |
| 799 | R | 86.4 | Confident | 86.9 | Confident | 177 Ų | 177 | 108.9 Ų | 108.9 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.2 | -43.6 | 171.2 | -72.6 | 176.5 | -165.9 | -161.4 | 6 | 111.7 | E795 Q796 N802 E803 | E795-R799 VanDerWaalsContact O-CG 3.28Å; E795-R799 WeakPolarHBondContact O-CG 3.4Å; E795-R799 PolarHBondContact O-N 3.06Å; Q796-R799 WeakPolarHBondContact O-CB 3.25Å; Q796-R799 PolarHBondContact O-N 3.4Å; R799-N802 PolarHBondContact O-N 3.42Å; R799-E803 VanDerWaalsContact O-CB 3.32Å; R799-E803 WeakPolarHBondContact O-CB 3.38Å; R799-E803 PolarHBondContact O-N 3.2Å |
| 800 | L | 87.2 | Confident | 86.8 | Confident | 85 Ų | 85 | 109.3 Ų | 109.3 | 45% | 0.445 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -37.3 | 178.1 | -76 | 169.8 | 0 | 0 | 0 | 112.7 | Q796 N797 E803 K804 | Q796-L800 HydrophobicContact CG-CD1 4.28Å; Q796-L800 WeakPolarHBondContact O-CB 3.25Å; Q796-L800 WeakPolarHBondContact O-CG 3.47Å; Q796-L800 PolarHBondContact O-N 3.37Å; N797-L800 PolarHBondContact O-N 3.48Å; L800-E803 PolarHBondContact O-N 3.28Å; L800-K804 WeakPolarHBondContact O-CB 3.5Å; L800-K804 PolarHBondContact O-N 3.48Å |
| 801 | E | 87.4 | Confident | 87 | Confident | 91 Ų | 91 | 108.7 Ų | 108.7 | 43% | 0.425 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 172.6 | -88.9 | -64 | 165.5 | 0 | 0 | 111.5 | N797 Q798 E803 K804 T805 | N797-E801 WeakPolarHBondContact O-CB 3.46Å; N797-E801 PolarHBondContact O-N 3.1Å; Q798-E801 PolarHBondContact O-N 3.33Å; E801-E803 VanDerWaalsContact C-N 3.34Å; E801-K804 PolarHBondContact O-N 2.91Å; E801-K804 IonicContact OE1-NZ 3.78Å; E801-K804 PolarHBondContact OE1-NZ 3.04Å; E801-K804 IonicContact OE2-NZ 2.66Å; E801-K804 PolarHBondContact OE2-NZ 3.47Å; E801-T805 WeakPolarHBondContact O-CB 3.36Å; E801-T805 VanDerWaalsContact O-CG2 3.29Å; E801-T805 WeakPolarHBondContact O-CG2 3.47Å; E801-T805 PolarHBondContact O-N 3.17Å; E801-T805 PolarHBondContact O-OG1 3.04Å |
| 802 | N | 88 | Confident | 86.9 | Confident | 88 Ų | 88 | 107.4 Ų | 107.4 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 171.4 | -70.2 | -6 | 0 | 0 | 0 | 110.8 | Q798 R799 T805 E806 | Q798-N802 VanDerWaalsContact O-CB 3.3Å; Q798-N802 WeakPolarHBondContact O-CB 3.28Å; Q798-N802 PolarHBondContact O-N 3.45Å; Q798-N802 PolarHBondContact O-ND2 2.94Å; Q798-N802 PolarHBondContact O-OD1 2.83Å; R799-N802 PolarHBondContact O-N 3.42Å; N802-T805 WeakPolarHBondContact CA-OG1 3.3Å; N802-T805 PolarHBondContact O-N 3.28Å; N802-T805 PolarHBondContact O-OG1 3.26Å; N802-E806 WeakPolarHBondContact O-CB 3.49Å; N802-E806 WeakPolarHBondContact O-CG 3.42Å; N802-E806 PolarHBondContact O-N 3.33Å |
| 803 | E | 87.8 | Confident | 86.8 | Confident | 108 Ų | 108 | 104.7 Ų | 104.7 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -40 | 176.5 | -171.3 | 175.5 | -169.2 | 0 | 0 | 111.7 | R799 L800 E801 E806 L807 | R799-E803 VanDerWaalsContact O-CB 3.32Å; R799-E803 WeakPolarHBondContact O-CB 3.38Å; R799-E803 PolarHBondContact O-N 3.2Å; L800-E803 PolarHBondContact O-N 3.28Å; E801-E803 VanDerWaalsContact C-N 3.34Å; E803-E806 PolarHBondContact O-N 2.98Å; E803-L807 HydrophobicContact CG-CD1 4.3Å; E803-L807 VanDerWaalsContact O-CB 3.25Å; E803-L807 WeakPolarHBondContact O-CB 3.4Å; E803-L807 VanDerWaalsContact O-CG 3.25Å; E803-L807 WeakPolarHBondContact O-CG 3.24Å; E803-L807 PolarHBondContact O-N 3.2Å |
| 804 | K | 87.8 | Confident | 86.7 | Confident | 110 Ų | 110 | 104 Ų | 104 | 48% | 0.478 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 174.5 | 175.7 | -179.3 | 153.8 | -150.6 | 0 | 111.8 | L800 E801 L807 Q808 | L800-K804 WeakPolarHBondContact O-CB 3.5Å; L800-K804 PolarHBondContact O-N 3.48Å; E801-K804 PolarHBondContact O-N 2.91Å; E801-K804 IonicContact OE1-NZ 3.78Å; E801-K804 PolarHBondContact OE1-NZ 3.04Å; E801-K804 IonicContact OE2-NZ 2.66Å; E801-K804 PolarHBondContact OE2-NZ 3.47Å; K804-L807 PolarHBondContact O-N 2.78Å; K804-Q808 VanDerWaalsContact O-CB 3.25Å; K804-Q808 WeakPolarHBondContact O-CB 3.27Å; K804-Q808 PolarHBondContact O-N 3.44Å |
| 805 | T | 86.8 | Confident | 86.7 | Confident | 62 Ų | 62 | 101.9 Ų | 101.9 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.3 | -36.7 | 176.6 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | E801 N802 Q808 K809 | E801-T805 WeakPolarHBondContact O-CB 3.36Å; E801-T805 VanDerWaalsContact O-CG2 3.29Å; E801-T805 WeakPolarHBondContact O-CG2 3.47Å; E801-T805 PolarHBondContact O-N 3.17Å; E801-T805 PolarHBondContact O-OG1 3.04Å; N802-T805 WeakPolarHBondContact CA-OG1 3.3Å; N802-T805 PolarHBondContact O-N 3.28Å; N802-T805 PolarHBondContact O-OG1 3.26Å; T805-Q808 PolarHBondContact O-N 3.41Å; T805-K809 WeakPolarHBondContact O-CB 3.49Å; T805-K809 WeakPolarHBondContact O-CG 3.19Å; T805-K809 PolarHBondContact O-N 3.32Å |
| 806 | E | 86.5 | Confident | 86.6 | Confident | 119 Ų | 119 | 103.2 Ų | 103.2 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.4 | -43.3 | 170.3 | -81.5 | -169.6 | 175 | 0 | 0 | 112.2 | N802 E803 Q808 K809 R810 | N802-E806 WeakPolarHBondContact O-CB 3.49Å; N802-E806 WeakPolarHBondContact O-CG 3.42Å; N802-E806 PolarHBondContact O-N 3.33Å; E803-E806 PolarHBondContact O-N 2.98Å; E806-Q808 VanDerWaalsContact C-N 3.3Å; E806-Q808 PolarHBondContact O-N 3.39Å; E806-K809 PolarHBondContact O-N 3.21Å; E806-R810 WeakPolarHBondContact O-CB 3.38Å; E806-R810 PolarHBondContact O-N 3.44Å |
| 807 | L | 86.6 | Confident | 86.3 | Confident | 93 Ų | 93 | 103.3 Ų | 103.3 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 174.2 | -79.7 | 173.4 | 0 | 0 | 0 | 111.3 | E803 K804 R810 N811 | E803-L807 HydrophobicContact CG-CD1 4.3Å; E803-L807 VanDerWaalsContact O-CB 3.25Å; E803-L807 WeakPolarHBondContact O-CB 3.4Å; E803-L807 VanDerWaalsContact O-CG 3.25Å; E803-L807 WeakPolarHBondContact O-CG 3.24Å; E803-L807 PolarHBondContact O-N 3.2Å; K804-L807 PolarHBondContact O-N 2.78Å; L807-R810 CarbonylContact O-C 3.54Å; L807-R810 PolarHBondContact O-N 2.93Å; L807-N811 WeakPolarHBondContact O-CB 3.41Å; L807-N811 PolarHBondContact O-N 2.96Å |
| 808 | Q | 88.4 | Confident | 86.1 | Confident | 101 Ų | 101 | 104 Ų | 104 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.4 | -45.5 | 175.5 | -174.3 | 171.9 | -23.2 | 0 | 0 | 110.9 | K804 T805 E806 R810 N811 E812 | K804-Q808 VanDerWaalsContact O-CB 3.25Å; K804-Q808 WeakPolarHBondContact O-CB 3.27Å; K804-Q808 PolarHBondContact O-N 3.44Å; T805-Q808 PolarHBondContact O-N 3.41Å; E806-Q808 VanDerWaalsContact C-N 3.3Å; E806-Q808 PolarHBondContact O-N 3.39Å; Q808-R810 VanDerWaalsContact C-N 3.28Å; Q808-R810 PolarHBondContact O-N 3.05Å; Q808-N811 CarbonylContact O-C 3.59Å; Q808-N811 PolarHBondContact O-N 3.28Å; Q808-N811 VanDerWaalsContact O-N 3.1Å; Q808-E812 HydrophobicContact CG-CG 4.48Å; Q808-E812 WeakPolarHBondContact CG-OE1 3.25Å; Q808-E812 PolarHBondContact NE2-OE1 3.1Å; Q808-E812 WeakPolarHBondContact O-CB 3.26Å; Q808-E812 WeakPolarHBondContact O-CG 3.28Å; Q808-E812 PolarHBondContact O-N 3.05Å |
| 809 | K | 86.7 | Confident | 85.9 | Confident | 147 Ų | 147 | 103.2 Ų | 103.2 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -39.1 | 171.7 | -77.8 | 179.7 | 179.9 | 178.8 | 0 | 111.8 | T805 E806 S813 | T805-K809 WeakPolarHBondContact O-CB 3.49Å; T805-K809 WeakPolarHBondContact O-CG 3.19Å; T805-K809 PolarHBondContact O-N 3.32Å; E806-K809 PolarHBondContact O-N 3.21Å; K809-S813 WeakPolarHBondContact O-CB 3.38Å; K809-S813 PolarHBondContact O-N 3.33Å |
| 810 | R | 85.3 | Confident | 85.5 | Confident | 159 Ų | 159 | 97 Ų | 97 | 60% | 0.6 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 172 | -106.8 | -170.2 | 178.7 | 99.4 | 0.3 | 110.9 | E806 L807 Q808 S813 I814 | E806-R810 WeakPolarHBondContact O-CB 3.38Å; E806-R810 PolarHBondContact O-N 3.44Å; L807-R810 CarbonylContact O-C 3.54Å; L807-R810 PolarHBondContact O-N 2.93Å; Q808-R810 VanDerWaalsContact C-N 3.28Å; Q808-R810 PolarHBondContact O-N 3.05Å; R810-S813 CarbonylContact O-C 3.59Å; R810-S813 PolarHBondContact O-N 3.38Å; R810-I814 VanDerWaalsContact O-CB 3.24Å; R810-I814 WeakPolarHBondContact O-CB 3.4Å; R810-I814 WeakPolarHBondContact O-CD1 3.42Å; R810-I814 WeakPolarHBondContact O-CG1 3.39Å; R810-I814 PolarHBondContact O-N 3.12Å |
| 811 | N | 86.6 | Confident | 85.1 | Confident | 104 Ų | 104 | 96.3 Ų | 96.3 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 177.6 | -94.4 | -3.5 | 0 | 0 | 0 | 111 | L807 Q808 I814 T815 | L807-N811 WeakPolarHBondContact O-CB 3.41Å; L807-N811 PolarHBondContact O-N 2.96Å; Q808-N811 CarbonylContact O-C 3.59Å; Q808-N811 PolarHBondContact O-N 3.28Å; Q808-N811 VanDerWaalsContact O-N 3.1Å; N811-I814 CarbonylContact O-C 3.59Å; N811-I814 PolarHBondContact O-N 3.22Å; N811-T815 PolarHBondContact O-N 3.17Å; N811-T815 PolarHBondContact O-OG1 3.43Å |
| 812 | E | 86 | Confident | 84.8 | Confident | 94 Ų | 94 | 98.9 Ų | 98.9 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59 | -51 | 174.8 | -76 | 168.7 | -168.3 | 0 | 0 | 110.1 | Q808 I814 T815 D816 | Q808-E812 HydrophobicContact CG-CG 4.48Å; Q808-E812 WeakPolarHBondContact CG-OE1 3.25Å; Q808-E812 PolarHBondContact NE2-OE1 3.1Å; Q808-E812 WeakPolarHBondContact O-CB 3.26Å; Q808-E812 WeakPolarHBondContact O-CG 3.28Å; Q808-E812 PolarHBondContact O-N 3.05Å; E812-I814 VanDerWaalsContact C-N 3.31Å; E812-I814 PolarHBondContact O-N 3.04Å; E812-T815 WeakPolarHBondContact CA-OG1 3.32Å; E812-T815 CarbonylContact O-C 3.6Å; E812-T815 PolarHBondContact O-N 3.05Å; E812-T815 VanDerWaalsContact O-N 3.09Å; E812-T815 PolarHBondContact O-OG1 3.33Å; E812-D816 WeakPolarHBondContact O-CB 3.24Å; E812-D816 PolarHBondContact O-N 3.1Å |
| 813 | S | 84.8 | Confident | 84.4 | Confident | 55 Ų | 55 | 100.8 Ų | 100.8 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | K809 R810 E817 | K809-S813 WeakPolarHBondContact O-CB 3.38Å; K809-S813 PolarHBondContact O-N 3.33Å; R810-S813 CarbonylContact O-C 3.59Å; R810-S813 PolarHBondContact O-N 3.38Å; S813-E817 WeakPolarHBondContact O-CA 3.34Å; S813-E817 WeakPolarHBondContact O-CB 3.49Å; S813-E817 WeakPolarHBondContact O-CG 3.45Å; S813-E817 PolarHBondContact O-N 3.47Å |
| 814 | I | 82.6 | Confident | 83.8 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -38.3 | 175.7 | -73.1 | 163 | 0 | 0 | 0 | 109.9 | R810 N811 E812 E817 L818 | R810-I814 VanDerWaalsContact O-CB 3.24Å; R810-I814 WeakPolarHBondContact O-CB 3.4Å; R810-I814 WeakPolarHBondContact O-CD1 3.42Å; R810-I814 WeakPolarHBondContact O-CG1 3.39Å; R810-I814 PolarHBondContact O-N 3.12Å; N811-I814 CarbonylContact O-C 3.59Å; N811-I814 PolarHBondContact O-N 3.22Å; E812-I814 VanDerWaalsContact C-N 3.31Å; E812-I814 PolarHBondContact O-N 3.04Å; I814-E817 CarbonylContact O-C 3.35Å; I814-L818 HydrophobicContact CG2-CD1 3.85Å; I814-L818 HydrophobicContact CG2-CG 4.17Å; I814-L818 WeakPolarHBondContact O-CA 3.3Å; I814-L818 WeakPolarHBondContact O-CB 3.28Å; I814-L818 WeakPolarHBondContact O-CG 3.46Å; I814-L818 PolarHBondContact O-N 3.12Å |
| 815 | T | 86.6 | Confident | 83.3 | Confident | 73 Ų | 73 | 100.4 Ų | 100.4 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 175.1 | 27.9 | 0 | 0 | 0 | 0 | 111.7 | N811 E812 L818 L819 | N811-T815 PolarHBondContact O-N 3.17Å; N811-T815 PolarHBondContact O-OG1 3.43Å; E812-T815 WeakPolarHBondContact CA-OG1 3.32Å; E812-T815 CarbonylContact O-C 3.6Å; E812-T815 PolarHBondContact O-N 3.05Å; E812-T815 VanDerWaalsContact O-N 3.09Å; E812-T815 PolarHBondContact O-OG1 3.33Å; T815-L818 CarbonylContact O-C 3.55Å; T815-L818 PolarHBondContact O-N 3.17Å; T815-L819 WeakPolarHBondContact O-CB 3.4Å; T815-L819 WeakPolarHBondContact O-CG 3.4Å; T815-L819 PolarHBondContact O-N 3.2Å |
| 816 | D | 83.7 | Confident | 82.8 | Confident | 105 Ų | 105 | 102.5 Ų | 102.5 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.7 | -41.3 | 175.2 | -73.4 | -15.2 | 0 | 0 | 0 | 110.5 | E812 L818 L819 S820 | E812-D816 WeakPolarHBondContact O-CB 3.24Å; E812-D816 PolarHBondContact O-N 3.1Å; D816-L818 VanDerWaalsContact C-N 3.34Å; D816-L819 PolarHBondContact O-N 3.45Å; D816-S820 WeakPolarHBondContact O-CB 3.43Å; D816-S820 PolarHBondContact O-N 2.69Å |
| 817 | E | 81.4 | Confident | 82 | Confident | 109 Ų | 109 | 102.2 Ų | 102.2 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 170 | -82 | -180 | -168.2 | 0 | 0 | 111.2 | S813 I814 S820 L821 | S813-E817 WeakPolarHBondContact O-CA 3.34Å; S813-E817 WeakPolarHBondContact O-CB 3.49Å; S813-E817 WeakPolarHBondContact O-CG 3.45Å; S813-E817 PolarHBondContact O-N 3.47Å; I814-E817 CarbonylContact O-C 3.35Å; E817-S820 CarbonylContact O-C 3.49Å; E817-L821 WeakPolarHBondContact O-CA 3.33Å; E817-L821 WeakPolarHBondContact O-CB 3.44Å; E817-L821 WeakPolarHBondContact O-CD1 3.38Å; E817-L821 WeakPolarHBondContact O-CG 3.36Å; E817-L821 PolarHBondContact O-N 2.83Å |
| 818 | L | 83.6 | Confident | 80.9 | Confident | 104 Ų | 104 | 100.8 Ų | 100.8 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.1 | -32.6 | 176.5 | -81.3 | 171.8 | 0 | 0 | 0 | 111.3 | I814 T815 D816 K822 | I814-L818 HydrophobicContact CG2-CD1 3.85Å; I814-L818 HydrophobicContact CG2-CG 4.17Å; I814-L818 WeakPolarHBondContact O-CA 3.3Å; I814-L818 WeakPolarHBondContact O-CB 3.28Å; I814-L818 WeakPolarHBondContact O-CG 3.46Å; I814-L818 PolarHBondContact O-N 3.12Å; T815-L818 CarbonylContact O-C 3.55Å; T815-L818 PolarHBondContact O-N 3.17Å; D816-L818 VanDerWaalsContact C-N 3.34Å; L818-K822 WeakPolarHBondContact O-CA 3.25Å; L818-K822 WeakPolarHBondContact O-CB 3.35Å; L818-K822 PolarHBondContact O-N 3.06Å |
| 819 | L | 83.1 | Confident | 79.8 | Confident | 108 Ų | 108 | 98.5 Ų | 98.5 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -70.7 | -48.4 | 172.5 | -81.9 | 163.5 | 0 | 0 | 0 | 110 | T815 D816 L821 K822 E823 | T815-L819 WeakPolarHBondContact O-CB 3.4Å; T815-L819 WeakPolarHBondContact O-CG 3.4Å; T815-L819 PolarHBondContact O-N 3.2Å; D816-L819 PolarHBondContact O-N 3.45Å; L819-L821 VanDerWaalsContact C-N 3.33Å; L819-L821 PolarHBondContact O-N 2.93Å; L819-K822 PolarHBondContact O-N 3.24Å; L819-E823 WeakPolarHBondContact O-CB 3.24Å; L819-E823 PolarHBondContact O-N 3.11Å |
| 820 | S | 79.6 | Confident | 78.7 | Confident | 47 Ų | 47 | 97.3 Ų | 97.3 | 33% | 0.329 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 175.2 | -178 | 0 | 0 | 0 | 0 | 111.6 | D816 E817 R824 | D816-S820 WeakPolarHBondContact O-CB 3.43Å; D816-S820 PolarHBondContact O-N 2.69Å; E817-S820 CarbonylContact O-C 3.49Å; S820-R824 WeakPolarHBondContact O-CA 3.28Å; S820-R824 WeakPolarHBondContact O-CB 3.43Å; S820-R824 PolarHBondContact O-N 3.41Å; S820-R824 PolarHBondContact OG-NH2 3.31Å; S820-R824 VanDerWaalsContact OG-NH2 3.13Å |
| 821 | L | 78.8 | Confident | 77.4 | Confident | 70 Ų | 70 | 94.5 Ų | 94.5 | 37% | 0.366 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.4 | -38.6 | 173.1 | -81.8 | 162.6 | 0 | 0 | 0 | 109.9 | E817 L819 E823 R824 L825 | E817-L821 WeakPolarHBondContact O-CA 3.33Å; E817-L821 WeakPolarHBondContact O-CB 3.44Å; E817-L821 WeakPolarHBondContact O-CD1 3.38Å; E817-L821 WeakPolarHBondContact O-CG 3.36Å; E817-L821 PolarHBondContact O-N 2.83Å; L819-L821 VanDerWaalsContact C-N 3.33Å; L819-L821 PolarHBondContact O-N 2.93Å; L821-E823 PolarHBondContact O-N 3.13Å; L821-R824 CarbonylContact O-C 3.58Å; L821-R824 PolarHBondContact O-N 3.42Å; L821-L825 VanDerWaalsContact O-CA 3.28Å; L821-L825 WeakPolarHBondContact O-CA 3.47Å; L821-L825 WeakPolarHBondContact O-CB 3.24Å; L821-L825 PolarHBondContact O-N 3.48Å |
| 822 | K | 79.5 | Confident | 75.9 | Confident | 145 Ų | 145 | 92.4 Ų | 92.4 | 63% | 0.63 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.6 | -37.5 | 174.5 | -179.4 | 179.6 | 179.9 | -175.6 | 0 | 110.7 | L818 L819 N826 | L818-K822 WeakPolarHBondContact O-CA 3.25Å; L818-K822 WeakPolarHBondContact O-CB 3.35Å; L818-K822 PolarHBondContact O-N 3.06Å; L819-K822 PolarHBondContact O-N 3.24Å; K822-N826 WeakPolarHBondContact O-CB 3.43Å; K822-N826 VanDerWaalsContact O-CG 3.28Å; K822-N826 PolarHBondContact O-N 3.38Å |
| 823 | E | 79.3 | Confident | 74.4 | Confident | 128 Ų | 128 | 96.7 Ų | 96.7 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.1 | -44.1 | 175.2 | -169.6 | 154.5 | -151.2 | 0 | 0 | 111.5 | L819 L821 L825 N826 Q827 | L819-E823 WeakPolarHBondContact O-CB 3.24Å; L819-E823 PolarHBondContact O-N 3.11Å; L821-E823 PolarHBondContact O-N 3.13Å; E823-L825 VanDerWaalsContact C-N 3.35Å; E823-L825 PolarHBondContact O-N 3.29Å; E823-N826 WeakPolarHBondContact O-CB 3.28Å; E823-N826 PolarHBondContact O-N 3.36Å; E823-Q827 WeakPolarHBondContact O-CG 3.31Å; E823-Q827 PolarHBondContact O-N 3.44Å |
| 824 | R | 77.1 | Confident | 73 | Confident | 108 Ų | 108 | 100.4 Ų | 100.4 | 41% | 0.408 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -28.2 | 175.9 | -167.5 | -175.4 | -59.7 | 121.3 | 6.5 | 112.2 | S820 L821 Q827 Q828 | S820-R824 WeakPolarHBondContact O-CA 3.28Å; S820-R824 WeakPolarHBondContact O-CB 3.43Å; S820-R824 PolarHBondContact O-N 3.41Å; S820-R824 PolarHBondContact OG-NH2 3.31Å; S820-R824 VanDerWaalsContact OG-NH2 3.13Å; L821-R824 CarbonylContact O-C 3.58Å; L821-R824 PolarHBondContact O-N 3.42Å; R824-Q827 CarbonylContact O-C 3.2Å; R824-Q827 WeakPolarHBondContact O-CB 3.37Å; R824-Q827 PolarHBondContact O-N 3.28Å; R824-Q828 HydrophobicContact CG-CG 4.19Å; R824-Q828 VanDerWaalsContact O-CA 3.29Å; R824-Q828 WeakPolarHBondContact O-CA 3.26Å; R824-Q828 WeakPolarHBondContact O-CB 3.36Å; R824-Q828 WeakPolarHBondContact O-CG 3.42Å; R824-Q828 PolarHBondContact O-N 3.02Å |
| 825 | L | 76.8 | Confident | 71.4 | Confident | 102 Ų | 102 | 101.8 Ų | 101.8 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -90.1 | -16.8 | 177.5 | -154.9 | 164.6 | 0 | 0 | 0 | 109.8 | L821 E823 A829 | L821-L825 VanDerWaalsContact O-CA 3.28Å; L821-L825 WeakPolarHBondContact O-CA 3.47Å; L821-L825 WeakPolarHBondContact O-CB 3.24Å; L821-L825 PolarHBondContact O-N 3.48Å; E823-L825 VanDerWaalsContact C-N 3.35Å; E823-L825 PolarHBondContact O-N 3.29Å; L825-A829 WeakPolarHBondContact O-CA 3.21Å; L825-A829 WeakPolarHBondContact O-CB 3.46Å; L825-A829 PolarHBondContact O-N 3.4Å |
| 826 | N | 75.6 | Confident | 69.7 | Low | 106 Ų | 106 | 105.1 Ų | 105.1 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.1 | -50.4 | 153.6 | -79.9 | -13 | 0 | 0 | 0 | 109.4 | K822 E823 Q828 A829 D830 | K822-N826 WeakPolarHBondContact O-CB 3.43Å; K822-N826 VanDerWaalsContact O-CG 3.28Å; K822-N826 PolarHBondContact O-N 3.38Å; E823-N826 WeakPolarHBondContact O-CB 3.28Å; E823-N826 PolarHBondContact O-N 3.36Å; N826-Q828 VanDerWaalsContact C-N 3.3Å; N826-Q828 PolarHBondContact O-N 3.18Å; N826-A829 PolarHBondContact O-N 3.46Å; N826-D830 VanDerWaalsContact O-CG 3.29Å; N826-D830 PolarHBondContact O-N 3.24Å; N826-D830 VanDerWaalsContact O-N 3.16Å |
| 827 | Q | 70.4 | Confident | 68.1 | Low | 113 Ų | 113 | 106.7 Ų | 106.7 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.1 | -29.6 | 176.7 | -67.6 | 168.7 | 7.4 | 0 | 0 | 113.7 | E823 R824 D830 E831 | E823-Q827 WeakPolarHBondContact O-CG 3.31Å; E823-Q827 PolarHBondContact O-N 3.44Å; R824-Q827 CarbonylContact O-C 3.2Å; R824-Q827 WeakPolarHBondContact O-CB 3.37Å; R824-Q827 PolarHBondContact O-N 3.28Å; Q827-D830 CarbonylContact O-C 3.5Å; Q827-D830 VanDerWaalsContact O-CB 3.3Å; Q827-D830 WeakPolarHBondContact O-CB 3.33Å; Q827-D830 PolarHBondContact O-N 3.33Å; Q827-E831 WeakPolarHBondContact O-CG 3.23Å; Q827-E831 PolarHBondContact O-N 3.03Å |
| 828 | Q | 63 | Low | 66.5 | Low | 64 Ų | 64 | 106.2 Ų | 106.2 | 30% | 0.299 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -98.5 | -15.3 | 179.5 | -81.3 | -172.6 | -28.3 | 0 | 0 | 111.4 | R824 N826 D830 E831 I832 | R824-Q828 HydrophobicContact CG-CG 4.19Å; R824-Q828 VanDerWaalsContact O-CA 3.29Å; R824-Q828 WeakPolarHBondContact O-CA 3.26Å; R824-Q828 WeakPolarHBondContact O-CB 3.36Å; R824-Q828 WeakPolarHBondContact O-CG 3.42Å; R824-Q828 PolarHBondContact O-N 3.02Å; N826-Q828 VanDerWaalsContact C-N 3.3Å; N826-Q828 PolarHBondContact O-N 3.18Å; Q828-D830 PolarHBondContact O-N 3.02Å; Q828-E831 HydrophobicContact CG-CB 4.28Å; Q828-E831 PolarHBondContact O-N 3.49Å; Q828-I832 HydrophobicContact CB-CD1 3.92Å; Q828-I832 HydrophobicContact CB-CG1 3.96Å; Q828-I832 HydrophobicContact CG-CG1 4.42Å; Q828-I832 VanDerWaalsContact O-CA 3.26Å; Q828-I832 WeakPolarHBondContact O-CA 3.44Å; Q828-I832 WeakPolarHBondContact O-CB 3.4Å; Q828-I832 WeakPolarHBondContact O-CG1 3.47Å; Q828-I832 PolarHBondContact O-N 3.15Å |
| 829 | A | 65.5 | Low | 64.7 | Low | 52 Ų | 52 | 105.8 Ų | 105.8 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -34.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | L825 N826 K833 | L825-A829 WeakPolarHBondContact O-CA 3.21Å; L825-A829 WeakPolarHBondContact O-CB 3.46Å; L825-A829 PolarHBondContact O-N 3.4Å; N826-A829 PolarHBondContact O-N 3.46Å; A829-K833 WeakPolarHBondContact O-CB 3.49Å; A829-K833 PolarHBondContact O-N 2.89Å |
| 830 | D | 63 | Low | 63.2 | Low | 122 Ų | 122 | 109.3 Ų | 109.3 | 65% | 0.652 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.6 | -40.3 | 171.2 | -57.5 | -30.5 | 0 | 0 | 0 | 112.4 | N826 Q827 Q828 | N826-D830 VanDerWaalsContact O-CG 3.29Å; N826-D830 PolarHBondContact O-N 3.24Å; N826-D830 VanDerWaalsContact O-N 3.16Å; Q827-D830 CarbonylContact O-C 3.5Å; Q827-D830 VanDerWaalsContact O-CB 3.3Å; Q827-D830 WeakPolarHBondContact O-CB 3.33Å; Q827-D830 PolarHBondContact O-N 3.33Å; Q828-D830 PolarHBondContact O-N 3.02Å |
| 831 | E | 57.7 | Low | 61.8 | Low | 100 Ų | 100 | 110.7 Ų | 110.7 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -92.8 | -26.6 | -179.7 | -71.2 | -178.8 | 161.3 | 0 | 0 | 117.3 | Q827 Q828 K833 Q834 K835 | Q827-E831 WeakPolarHBondContact O-CG 3.23Å; Q827-E831 PolarHBondContact O-N 3.03Å; Q828-E831 HydrophobicContact CG-CB 4.28Å; Q828-E831 PolarHBondContact O-N 3.49Å; E831-K833 VanDerWaalsContact C-N 3.34Å; E831-Q834 VanDerWaalsContact C-N 3.29Å; E831-Q834 CarbonylContact O-C 3.57Å; E831-Q834 WeakPolarHBondContact O-CA 3.39Å; E831-Q834 WeakPolarHBondContact O-CB 3.39Å; E831-Q834 PolarHBondContact O-N 2.77Å; E831-K835 WeakPolarHBondContact O-CB 3.42Å; E831-K835 PolarHBondContact O-N 3.49Å |
| 832 | I | 56.1 | Low | 60 | Low | 61 Ų | 61 | 112.5 Ų | 112.5 | 31% | 0.313 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -76.6 | -27.7 | 172.5 | -69.5 | 170.1 | 0 | 0 | 0 | 109.3 | Q828 Q834 K835 Q836 | Q828-I832 HydrophobicContact CB-CD1 3.92Å; Q828-I832 HydrophobicContact CB-CG1 3.96Å; Q828-I832 HydrophobicContact CG-CG1 4.42Å; Q828-I832 VanDerWaalsContact O-CA 3.26Å; Q828-I832 WeakPolarHBondContact O-CA 3.44Å; Q828-I832 WeakPolarHBondContact O-CB 3.4Å; Q828-I832 WeakPolarHBondContact O-CG1 3.47Å; Q828-I832 PolarHBondContact O-N 3.15Å; I832-Q834 PolarHBondContact O-N 3.11Å; I832-K835 PolarHBondContact O-N 3.41Å; I832-Q836 HydrophobicContact CG2-CB 4.04Å; I832-Q836 VanDerWaalsContact O-CB 3.22Å; I832-Q836 WeakPolarHBondContact O-CB 3.38Å; I832-Q836 PolarHBondContact O-N 3.46Å |
| 833 | K | 54.5 | Low | 58.4 | Low | 183 Ų | 183 | 113.9 Ų | 113.9 | 80% | 0.796 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -54.3 | -17.6 | 156.1 | -169.7 | 178.7 | 179.8 | -174.2 | 0 | 112.3 | A829 E831 | A829-K833 WeakPolarHBondContact O-CB 3.49Å; A829-K833 PolarHBondContact O-N 2.89Å; E831-K833 VanDerWaalsContact C-N 3.34Å |
| 834 | Q | 54.7 | Low | 56.9 | Low | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -106.6 | -26.2 | 177.4 | -128.5 | 177.2 | 11.9 | 0 | 0 | 114.3 | E831 I832 | E831-Q834 VanDerWaalsContact C-N 3.29Å; E831-Q834 CarbonylContact O-C 3.57Å; E831-Q834 WeakPolarHBondContact O-CA 3.39Å; E831-Q834 WeakPolarHBondContact O-CB 3.39Å; E831-Q834 PolarHBondContact O-N 2.77Å; I832-Q834 PolarHBondContact O-N 3.11Å |
| 835 | K | 49.8 | Very low | 55.6 | Low | 105 Ų | 105 | 115.9 Ų | 115.9 | 46% | 0.457 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -118.1 | -8.8 | -170.2 | -72.6 | -114.8 | 172.2 | -162.9 | 0 | 115.1 | E831 I832 D837 E838 V839 | E831-K835 WeakPolarHBondContact O-CB 3.42Å; E831-K835 PolarHBondContact O-N 3.49Å; I832-K835 PolarHBondContact O-N 3.41Å; K835-D837 PolarHBondContact O-N 3.32Å; K835-E838 VanDerWaalsContact CD-OE2 3.27Å; K835-E838 WeakPolarHBondContact CD-OE2 3.46Å; K835-E838 VanDerWaalsContact CE-OE2 3.26Å; K835-E838 WeakPolarHBondContact CE-OE2 3.41Å; K835-E838 IonicContact NZ-OE1 3.72Å; K835-E838 IonicContact NZ-OE2 3.94Å; K835-E838 PolarHBondContact NZ-OE2 3.23Å; K835-E838 PolarHBondContact O-N 3.25Å; K835-V839 PolarHBondContact O-N 3.16Å |
| 836 | Q | 51 | Low | 54 | Low | 142 Ų | 142 | 117.1 Ų | 117.1 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -55.1 | -27.4 | 161.8 | -158.1 | 117.1 | -2.1 | 0 | 0 | 110.3 | I832 E838 | I832-Q836 HydrophobicContact CG2-CB 4.04Å; I832-Q836 VanDerWaalsContact O-CB 3.22Å; I832-Q836 WeakPolarHBondContact O-CB 3.38Å; I832-Q836 PolarHBondContact O-N 3.46Å; Q836-E838 VanDerWaalsContact C-N 3.25Å; Q836-E838 PolarHBondContact O-N 3.15Å |
| 837 | D | 49.2 | Very low | 52.4 | Low | 139 Ų | 139 | 118.7 Ų | 118.7 | 74% | 0.743 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.8 | -13.5 | 173.4 | -62.1 | -17 | 0 | 0 | 0 | 114.2 | K835 | K835-D837 PolarHBondContact O-N 3.32Å |
| 838 | E | 49.3 | Very low | 51.5 | Low | 98 Ų | 98 | 120.9 Ų | 120.9 | 46% | 0.458 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -112.2 | -33.6 | -172.9 | -73.6 | -174.2 | -177 | 0 | 0 | 115.5 | K835 Q836 E840 S841 | K835-E838 VanDerWaalsContact CD-OE2 3.27Å; K835-E838 WeakPolarHBondContact CD-OE2 3.46Å; K835-E838 VanDerWaalsContact CE-OE2 3.26Å; K835-E838 WeakPolarHBondContact CE-OE2 3.41Å; K835-E838 IonicContact NZ-OE1 3.72Å; K835-E838 IonicContact NZ-OE2 3.94Å; K835-E838 PolarHBondContact NZ-OE2 3.23Å; K835-E838 PolarHBondContact O-N 3.25Å; Q836-E838 VanDerWaalsContact C-N 3.25Å; Q836-E838 PolarHBondContact O-N 3.15Å; E838-E840 PolarHBondContact O-N 3.41Å; E838-S841 PolarHBondContact O-N 3.21Å; E838-S841 PolarHBondContact O-OG 3.12Å |
| 839 | V | 45.5 | Very low | 50.5 | Low | 95 Ų | 95 | 126.8 Ų | 126.8 | 58% | 0.576 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.9 | -11.2 | -170.3 | 172.7 | 0 | 0 | 0 | 0 | 114.2 | K835 S841 | K835-V839 PolarHBondContact O-N 3.16Å; V839-S841 PolarHBondContact O-N 3.09Å |
| 840 | E | 50.5 | Low | 49.4 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 85% | 0.85 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -22.4 | 165.8 | -157.2 | 141.2 | -146.8 | 0 | 0 | 111.6 | E838 | E838-E840 PolarHBondContact O-N 3.41Š|
| 841 | S | 49.7 | Very low | 48.5 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 54% | 0.538 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.3 | -20.5 | -176.2 | 79.7 | 0 | 0 | 0 | 0 | 116.3 | E838 V839 | E838-S841 PolarHBondContact O-N 3.21Å; E838-S841 PolarHBondContact O-OG 3.12Å; V839-S841 PolarHBondContact O-N 3.09Å |
| 842 | L | 42.8 | Very low | 47.8 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 57% | 0.565 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -12.1 | -170.3 | -69.3 | 174.5 | 0 | 0 | 0 | 114.9 | E844 I845 | L842-E844 PolarHBondContact O-N 3.33Å; L842-I845 HydrophobicContact CD2-CD1 3.86Å; L842-I845 PolarHBondContact O-N 3.38Å |
| 843 | K | 45.3 | Very low | 47 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -14.9 | 173.8 | -105.6 | 178.7 | 177.4 | 178.5 | 0 | 113.6 | I845 | K843-I845 VanDerWaalsContact C-N 3.33Å; K843-I845 PolarHBondContact O-N 3.32Å |
| 844 | E | 48 | Very low | 46.3 | Very low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -16.6 | 178.9 | -148.6 | 170.7 | -159.8 | 0 | 0 | 113.4 | L842 | L842-E844 PolarHBondContact O-N 3.33Š|
| 845 | I | 49.4 | Very low | 45.9 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 59% | 0.585 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -90.7 | -23 | -170.4 | -61.7 | 178.3 | 0 | 0 | 0 | 113.4 | L842 K843 | L842-I845 HydrophobicContact CD2-CD1 3.86Å; L842-I845 PolarHBondContact O-N 3.38Å; K843-I845 VanDerWaalsContact C-N 3.33Å; K843-I845 PolarHBondContact O-N 3.32Å |
| 846 | I | 43.1 | Very low | 45.8 | Very low | 129 Ų | 129 | 140 Ų | 140 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -83.2 | -18 | -170.7 | -68.4 | 177 | 0 | 0 | 0 | 113.4 | L848 | I846-L848 VanDerWaalsContact C-N 3.27Å; I846-L848 PolarHBondContact O-N 3.03Å |
| 847 | D | 42.4 | Very low | 45.7 | Very low | 138 Ų | 138 | 137 Ų | 137 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -72.7 | -13.1 | 179.3 | -77.1 | -22.4 | 0 | 0 | 0 | 114.4 | ||
| 848 | L | 50.2 | Low | 45.8 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -88.4 | -8.5 | -173.2 | -77.4 | 169.2 | 0 | 0 | 0 | 116 | I846 | I846-L848 VanDerWaalsContact C-N 3.27Å; I846-L848 PolarHBondContact O-N 3.03Å |
| 849 | K | 43.7 | Very low | 45.8 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -109.7 | -3.4 | -166.1 | -132.1 | 179.3 | -177.5 | 179.9 | 0 | 117.9 | ||
| 850 | N | 41.3 | Very low | 46.4 | Very low | 142 Ų | 142 | 146 Ų | 146 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -107.9 | 6.5 | -168.2 | -83.5 | -24.6 | 0 | 0 | 0 | 117.1 | ||
| 851 | I | 44.3 | Very low | 46.6 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -99 | -7.9 | -174.8 | -63 | 177.9 | 0 | 0 | 0 | 114 | ||
| 852 | E | 43.3 | Very low | 47.1 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 92% | 0.916 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -96 | 1 | -164.7 | -117.8 | 169.4 | -175.9 | 0 | 0 | 118.6 | ||
| 853 | S | 39.2 | Very low | 48.2 | Very low | 112 Ų | 112 | 150 Ų | 150 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -116.3 | 9.6 | -165.9 | 72.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 854 | S | 40.2 | Very low | 49.2 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | -107.5 | 21.5 | -162.2 | 52.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 855 | K | 46.1 | Very low | 50.4 | Low | 211 Ų | 211 | 144.2 Ų | 144.2 | 92% | 0.917 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -120.4 | 4 | -176.8 | -81.3 | -178.3 | -178.8 | 171.9 | 0 | 119.5 | ||
| 856 | S | 46.6 | Very low | 51.5 | Low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -97 | -9.1 | -177.9 | 61.9 | 0 | 0 | 0 | 0 | 116.8 | ||
| 857 | S | 50.2 | Low | 52.9 | Low | 80 Ų | 80 | 142.7 Ų | 142.7 | 56% | 0.559 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -77.8 | -27.1 | -171.2 | 70.6 | 0 | 0 | 0 | 0 | 116 | K859 | S857-K859 PolarHBondContact O-N 2.92Š|
| 858 | R | 51.3 | Low | 54.5 | Low | 220 Ų | 220 | 142.2 Ų | 142.2 | 83% | 0.83 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -77.9 | -5.7 | -167 | -70.1 | -176.4 | -175.4 | 167.8 | 2 | 117 | ||
| 859 | K | 49.2 | Very low | 55.9 | Low | 197 Ų | 197 | 139.7 Ų | 139.7 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -90 | -19.2 | 178.5 | -102.3 | -179.6 | 178.7 | 177.3 | 0 | 113.9 | S857 | S857-K859 PolarHBondContact O-N 2.92Š|
| 860 | V | 57.3 | Low | 57.6 | Low | 103 Ų | 103 | 136.5 Ų | 136.5 | 62% | 0.624 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -79.2 | -33.4 | -179.3 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | K862 | V860-K862 PolarHBondContact O-N 3.27Å |
| 861 | D | 55.6 | Low | 59.3 | Low | 104 Ų | 104 | 134 Ų | 134 | 56% | 0.556 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.7 | -30.7 | -174.6 | -65.1 | -33.2 | 0 | 0 | 0 | 114.6 | ||
| 862 | K | 59.9 | Low | 61 | Low | 174 Ų | 174 | 131 Ų | 131 | 76% | 0.757 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.4 | -36 | -177.8 | -93.7 | -173.4 | 175 | -175.6 | 0 | 114 | V860 L864 N865 | V860-K862 PolarHBondContact O-N 3.27Å; K862-L864 VanDerWaalsContact C-N 3.33Å; K862-N865 PolarHBondContact O-N 3.1Å |
| 863 | K | 64.9 | Low | 62.8 | Low | 174 Ų | 174 | 128.5 Ų | 128.5 | 76% | 0.757 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.8 | -26.8 | 178.1 | -81.3 | -169.9 | 174.8 | -174.6 | 0 | 112.8 | N865 | K863-N865 VanDerWaalsContact C-N 3.28Å; K863-N865 PolarHBondContact O-N 3.05Å |
| 864 | L | 66.7 | Low | 64.8 | Low | 115 Ų | 115 | 128 Ų | 128 | 60% | 0.602 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.3 | -30.5 | 176.9 | -153.1 | 86.6 | 0 | 0 | 0 | 111.8 | K862 S867 | K862-L864 VanDerWaalsContact C-N 3.33Å; L864-S867 PolarHBondContact O-OG 3.32Å; L864-S867 VanDerWaalsContact O-OG 3.05Å |
| 865 | N | 74.7 | Confident | 66.7 | Low | 100 Ų | 100 | 130 Ų | 130 | 54% | 0.535 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -78.5 | -34.3 | -174.4 | -159.6 | 56.3 | 0 | 0 | 0 | 113.5 | K862 K863 | K862-N865 PolarHBondContact O-N 3.1Å; K863-N865 VanDerWaalsContact C-N 3.28Å; K863-N865 PolarHBondContact O-N 3.05Å |
| 866 | E | 72.5 | Confident | 68.4 | Low | 148 Ų | 148 | 124.7 Ų | 124.7 | 69% | 0.692 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.2 | -37.5 | 179.6 | -73 | 175 | 179.9 | 0 | 0 | 112.8 | M868 N869 L870 | E866-M868 VanDerWaalsContact C-N 3.29Å; E866-M868 PolarHBondContact O-N 3.37Å; E866-N869 PolarHBondContact O-N 3.31Å; E866-L870 PolarHBondContact O-N 3.17Å |
| 867 | S | 72.4 | Confident | 70.1 | Confident | 63 Ų | 63 | 124.8 Ų | 124.8 | 44% | 0.441 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66 | -33.6 | 176.3 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | L864 L870 I871 | L864-S867 PolarHBondContact O-OG 3.32Å; L864-S867 VanDerWaalsContact O-OG 3.05Å; S867-L870 PolarHBondContact O-N 3.45Å; S867-I871 WeakPolarHBondContact O-CG1 3.5Å; S867-I871 PolarHBondContact O-N 3.36Å |
| 868 | M | 74.8 | Confident | 71.6 | Confident | 127 Ų | 127 | 125.6 Ų | 125.6 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.5 | -39.1 | 178.8 | -141 | 163.2 | -171.7 | 0 | 0 | 112.2 | E866 I871 Q872 | E866-M868 VanDerWaalsContact C-N 3.29Å; E866-M868 PolarHBondContact O-N 3.37Å; M868-I871 PolarHBondContact O-N 3.21Å; M868-Q872 PolarHBondContact O-N 3.41Å |
| 869 | N | 79.5 | Confident | 73.1 | Confident | 108 Ų | 108 | 119.7 Ų | 119.7 | 58% | 0.578 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.6 | -37.1 | 178.2 | -74.1 | -26.9 | 0 | 0 | 0 | 113.1 | E866 Q872 K873 | E866-N869 PolarHBondContact O-N 3.31Å; N869-Q872 PolarHBondContact O-N 3.48Å; N869-K873 PolarHBondContact O-N 3.23Å |
| 870 | L | 80 | Confident | 74.7 | Confident | 120 Ų | 120 | 116.6 Ų | 116.6 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.6 | -39.8 | 177.7 | -167.2 | 72.9 | 0 | 0 | 0 | 111.8 | E866 S867 Q872 K873 L874 | E866-L870 PolarHBondContact O-N 3.17Å; S867-L870 PolarHBondContact O-N 3.45Å; L870-Q872 VanDerWaalsContact C-N 3.26Å; L870-Q872 PolarHBondContact O-N 3.06Å; L870-K873 PolarHBondContact O-N 3.19Å; L870-L874 PolarHBondContact O-N 3.45Å |
| 871 | I | 76.8 | Confident | 75.8 | Confident | 90 Ų | 90 | 117.3 Ų | 117.3 | 46% | 0.462 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.9 | -38.1 | 175.5 | -69.5 | 168.9 | 0 | 0 | 0 | 110.8 | S867 M868 R875 | S867-I871 WeakPolarHBondContact O-CG1 3.5Å; S867-I871 PolarHBondContact O-N 3.36Å; M868-I871 PolarHBondContact O-N 3.21Å; I871-R875 WeakPolarHBondContact O-CG 3.3Å; I871-R875 PolarHBondContact O-N 3.35Å |
| 872 | Q | 79.4 | Confident | 77.1 | Confident | 94 Ų | 94 | 113.8 Ų | 113.8 | 44% | 0.439 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.8 | -43.6 | 179 | -167.7 | 68.7 | 8.2 | 0 | 0 | 112.1 | M868 N869 L870 L874 R875 E876 | M868-Q872 PolarHBondContact O-N 3.41Å; N869-Q872 PolarHBondContact O-N 3.48Å; L870-Q872 VanDerWaalsContact C-N 3.26Å; L870-Q872 PolarHBondContact O-N 3.06Å; Q872-L874 PolarHBondContact O-N 3.05Å; Q872-R875 WeakPolarHBondContact O-CB 3.37Å; Q872-R875 PolarHBondContact O-N 3.27Å; Q872-R875 VanDerWaalsContact O-N 3.16Å; Q872-E876 PolarHBondContact O-N 3.48Å |
| 873 | K | 82.6 | Confident | 78.3 | Confident | 143 Ų | 143 | 108.3 Ų | 108.3 | 62% | 0.622 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65 | -36.1 | -178.2 | -150.7 | 174.6 | -172.7 | 178.5 | 0 | 112.9 | N869 L870 E876 Q877 | N869-K873 PolarHBondContact O-N 3.23Å; L870-K873 PolarHBondContact O-N 3.19Å; K873-E876 PolarHBondContact O-N 3.27Å; K873-Q877 PolarHBondContact O-N 3.48Å |
| 874 | L | 79.6 | Confident | 79.1 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.7 | -33.1 | 175.1 | -71.6 | 171.3 | 0 | 0 | 0 | 112.7 | L870 Q872 E876 T878 | L870-L874 PolarHBondContact O-N 3.45Å; Q872-L874 PolarHBondContact O-N 3.05Å; L874-E876 VanDerWaalsContact C-N 3.33Å; L874-T878 PolarHBondContact O-N 3.41Å; L874-T878 PolarHBondContact O-OG1 2.98Å |
| 875 | R | 81.9 | Confident | 80 | Confident | 150 Ų | 150 | 107.7 Ų | 107.7 | 57% | 0.566 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.5 | -37.1 | 175.4 | -75.1 | 178 | -178.4 | -174.1 | -2.2 | 111.9 | I871 Q872 T878 K879 | I871-R875 WeakPolarHBondContact O-CG 3.3Å; I871-R875 PolarHBondContact O-N 3.35Å; Q872-R875 WeakPolarHBondContact O-CB 3.37Å; Q872-R875 PolarHBondContact O-N 3.27Å; Q872-R875 VanDerWaalsContact O-N 3.16Å; R875-T878 PolarHBondContact O-N 3.36Å; R875-K879 WeakPolarHBondContact O-CG 3.46Å; R875-K879 PolarHBondContact O-N 3.02Å |
| 876 | E | 80.5 | Confident | 80.4 | Confident | 98 Ų | 98 | 106 Ų | 106 | 46% | 0.458 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -47.8 | 177.9 | -81.3 | 159.8 | -176.6 | 0 | 0 | 112 | Q872 K873 L874 T878 K879 E880 | Q872-E876 PolarHBondContact O-N 3.48Å; K873-E876 PolarHBondContact O-N 3.27Å; L874-E876 VanDerWaalsContact C-N 3.33Å; E876-T878 PolarHBondContact O-N 3.45Å; E876-K879 WeakPolarHBondContact O-CB 3.46Å; E876-K879 PolarHBondContact O-N 3.35Å; E876-E880 PolarHBondContact O-N 3.44Å; E876-E880 VanDerWaalsContact O-N 3.15Å |
| 877 | Q | 82.4 | Confident | 81 | Confident | 113 Ų | 113 | 103.3 Ų | 103.3 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -35.3 | 175.9 | -69.4 | -177.1 | -35.9 | 0 | 0 | 112.9 | K873 K879 E880 L881 | K873-Q877 PolarHBondContact O-N 3.48Å; Q877-K879 VanDerWaalsContact C-N 3.32Å; Q877-K879 PolarHBondContact O-N 3.24Å; Q877-E880 PolarHBondContact O-N 3.36Å; Q877-L881 PolarHBondContact O-N 3.07Å |
| 878 | T | 81.3 | Confident | 81.4 | Confident | 97 Ų | 97 | 105.9 Ų | 105.9 | 60% | 0.595 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.5 | -33.5 | 176.8 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | L874 R875 E876 S882 | L874-T878 PolarHBondContact O-N 3.41Å; L874-T878 PolarHBondContact O-OG1 2.98Å; R875-T878 PolarHBondContact O-N 3.36Å; E876-T878 PolarHBondContact O-N 3.45Å; T878-S882 WeakPolarHBondContact O-CB 3.49Å; T878-S882 PolarHBondContact O-N 3.27Å |
| 879 | K | 84.1 | Confident | 81.9 | Confident | 95 Ų | 95 | 105.2 Ų | 105.2 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 176.9 | -73.1 | 177.1 | -179.9 | -177.4 | 0 | 111.9 | R875 E876 Q877 S882 Q883 | R875-K879 WeakPolarHBondContact O-CG 3.46Å; R875-K879 PolarHBondContact O-N 3.02Å; E876-K879 WeakPolarHBondContact O-CB 3.46Å; E876-K879 PolarHBondContact O-N 3.35Å; Q877-K879 VanDerWaalsContact C-N 3.32Å; Q877-K879 PolarHBondContact O-N 3.24Å; K879-S882 PolarHBondContact O-N 3.46Å; K879-Q883 PolarHBondContact O-N 2.8Å; K879-Q883 VanDerWaalsContact O-N 3.1Å |
| 880 | E | 82.4 | Confident | 82.2 | Confident | 132 Ų | 132 | 104 Ų | 104 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 177.9 | -70.5 | 176.6 | 175.3 | 0 | 0 | 111.7 | E876 Q877 S882 Q883 E884 | E876-E880 PolarHBondContact O-N 3.44Å; E876-E880 VanDerWaalsContact O-N 3.15Å; Q877-E880 PolarHBondContact O-N 3.36Å; E880-S882 VanDerWaalsContact C-N 3.31Å; E880-S882 PolarHBondContact O-N 3.38Å; E880-Q883 VanDerWaalsContact O-CB 3.32Å; E880-Q883 WeakPolarHBondContact O-CB 3.5Å; E880-Q883 PolarHBondContact O-N 3.45Å; E880-Q883 VanDerWaalsContact O-N 3.12Å; E880-E884 PolarHBondContact O-N 3.39Å; E880-E884 VanDerWaalsContact O-N 3.11Å |
| 881 | L | 80.9 | Confident | 82.4 | Confident | 119 Ų | 119 | 104.8 Ų | 104.8 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -35.9 | 175.6 | -88.7 | 159.2 | 0 | 0 | 0 | 113.3 | Q877 Q883 K885 | Q877-L881 PolarHBondContact O-N 3.07Å; L881-Q883 VanDerWaalsContact C-N 3.33Å; L881-K885 PolarHBondContact O-N 3.26Å |
| 882 | S | 82.8 | Confident | 82.6 | Confident | 29 Ų | 29 | 106.4 Ų | 106.4 | 20% | 0.203 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -66.1 | -37.4 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | T178 T878 K879 E880 K886 | T178-S882 PolarHBondContact OG1-OG 3.09Å; T878-S882 WeakPolarHBondContact O-CB 3.49Å; T878-S882 PolarHBondContact O-N 3.27Å; K879-S882 PolarHBondContact O-N 3.46Å; E880-S882 VanDerWaalsContact C-N 3.31Å; E880-S882 PolarHBondContact O-N 3.38Å; S882-K886 PolarHBondContact O-N 3.35Å |
| 883 | Q | 84.8 | Confident | 82.9 | Confident | 59 Ų | 59 | 107.1 Ų | 107.1 | 28% | 0.276 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -50.8 | 177.1 | -173.9 | 76.4 | -4.6 | 0 | 0 | 111.6 | N175 K879 E880 L881 K885 K886 E887 | N175-Q883 VanDerWaalsContact CG-OE1 3.22Å; N175-Q883 PolarHBondContact ND2-NE2 3.46Å; N175-Q883 PolarHBondContact ND2-OE1 3.15Å; N175-Q883 VanDerWaalsContact ND2-OE1 3.08Å; K879-Q883 PolarHBondContact O-N 2.8Å; K879-Q883 VanDerWaalsContact O-N 3.1Å; E880-Q883 VanDerWaalsContact O-CB 3.32Å; E880-Q883 WeakPolarHBondContact O-CB 3.5Å; E880-Q883 PolarHBondContact O-N 3.45Å; E880-Q883 VanDerWaalsContact O-N 3.12Å; L881-Q883 VanDerWaalsContact C-N 3.33Å; Q883-K885 VanDerWaalsContact C-N 3.29Å; Q883-K885 PolarHBondContact O-N 3.42Å; Q883-K886 PolarHBondContact O-N 3.16Å; Q883-K886 VanDerWaalsContact O-N 3.08Å; Q883-E887 PolarHBondContact O-N 3.17Å; Q883-E887 VanDerWaalsContact O-N 3.1Å |
| 884 | E | 81.6 | Confident | 83.2 | Confident | 122 Ų | 122 | 104.9 Ų | 104.9 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.1 | -40.8 | 179.6 | -73 | -173.5 | 164.7 | 0 | 0 | 111.7 | E880 K886 E887 I888 | E880-E884 PolarHBondContact O-N 3.39Å; E880-E884 VanDerWaalsContact O-N 3.11Å; E884-K886 VanDerWaalsContact C-N 3.33Å; E884-K886 PolarHBondContact O-N 3.2Å; E884-E887 PolarHBondContact O-N 3.03Å; E884-I888 WeakPolarHBondContact O-CG1 3.45Å; E884-I888 PolarHBondContact O-N 3.49Å |
| 885 | K | 84.6 | Confident | 83.4 | Confident | 155 Ų | 155 | 107.1 Ų | 107.1 | 67% | 0.674 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59 | -41.9 | 175.2 | -173.5 | 179.3 | 178.1 | -179 | 0 | 112.3 | L881 Q883 L889 | L881-K885 PolarHBondContact O-N 3.26Å; Q883-K885 VanDerWaalsContact C-N 3.29Å; Q883-K885 PolarHBondContact O-N 3.42Å; K885-L889 PolarHBondContact O-N 3.14Å; K885-L889 VanDerWaalsContact O-N 3.11Å |
| 886 | K | 84.7 | Confident | 83.6 | Confident | 64 Ų | 64 | 103.9 Ų | 103.9 | 28% | 0.278 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 178 | -73.3 | -175 | -175.6 | -177.6 | 0 | 111.9 | N175 V176 S882 Q883 E884 L889 K890 | N175-K886 HydrophobicContact CB-CD 4.39Å; N175-K886 WeakPolarHBondContact OD1-CD 3.3Å; V176-K886 PolarHBondContact O-NZ 3.39Å; S882-K886 PolarHBondContact O-N 3.35Å; Q883-K886 PolarHBondContact O-N 3.16Å; Q883-K886 VanDerWaalsContact O-N 3.08Å; E884-K886 VanDerWaalsContact C-N 3.33Å; E884-K886 PolarHBondContact O-N 3.2Å; K886-L889 PolarHBondContact O-N 3.1Å; K886-K890 PolarHBondContact O-N 3.37Å; K886-K890 VanDerWaalsContact O-N 3.1Å |
| 887 | E | 83.5 | Confident | 83.7 | Confident | 92 Ų | 92 | 104.6 Ų | 104.6 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -40.8 | 177.9 | -70.3 | -168.3 | -175.9 | 0 | 0 | 112.8 | Q883 E884 L889 K890 K891 | Q883-E887 PolarHBondContact O-N 3.17Å; Q883-E887 VanDerWaalsContact O-N 3.1Å; E884-E887 PolarHBondContact O-N 3.03Å; E887-L889 VanDerWaalsContact C-N 3.3Å; E887-L889 PolarHBondContact O-N 3.43Å; E887-K890 PolarHBondContact O-N 3.18Å; E887-K891 PolarHBondContact O-N 3.49Å |
| 888 | I | 81.7 | Confident | 83.9 | Confident | 117 Ų | 117 | 104.5 Ų | 104.5 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | 174.6 | -68.4 | 170.1 | 0 | 0 | 0 | 110.5 | E884 K891 H892 | E884-I888 WeakPolarHBondContact O-CG1 3.45Å; E884-I888 PolarHBondContact O-N 3.49Å; I888-K891 PolarHBondContact O-N 3.13Å; I888-H892 PolarHBondContact O-N 3.34Å |
| 889 | L | 84.3 | Confident | 83.9 | Confident | 112 Ų | 112 | 104.7 Ų | 104.7 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 177.9 | -150.4 | 91.6 | 0 | 0 | 0 | 112.3 | K885 K886 E887 H892 M893 | K885-L889 PolarHBondContact O-N 3.14Å; K885-L889 VanDerWaalsContact O-N 3.11Å; K886-L889 PolarHBondContact O-N 3.1Å; E887-L889 VanDerWaalsContact C-N 3.3Å; E887-L889 PolarHBondContact O-N 3.43Å; L889-H892 PolarHBondContact O-N 3.5Å; L889-M893 PolarHBondContact O-N 3.5Å |
| 890 | K | 86.3 | Confident | 84.1 | Confident | 83 Ų | 83 | 105.5 Ų | 105.5 | 36% | 0.361 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.5 | -73.5 | -179.7 | -177.3 | 177.2 | 0 | 111.4 | A173 K886 E887 H892 M893 I894 | A173-K890 VanDerWaalsContact CB-NZ 3.34Å; A173-K890 PolarHBondContact O-NZ 3.47Å; K886-K890 PolarHBondContact O-N 3.37Å; K886-K890 VanDerWaalsContact O-N 3.1Å; E887-K890 PolarHBondContact O-N 3.18Å; K890-H892 VanDerWaalsContact C-N 3.31Å; K890-H892 PolarHBondContact O-N 3.43Å; K890-M893 PolarHBondContact O-N 3.45Å; K890-I894 WeakPolarHBondContact O-CG1 3.5Å; K890-I894 PolarHBondContact O-N 3.45Å; K890-I894 VanDerWaalsContact O-N 3.11Å |
| 891 | K | 85 | Confident | 84.2 | Confident | 136 Ų | 136 | 106.1 Ų | 106.1 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -38 | 176.8 | -73.2 | 178.5 | -178.8 | 172.3 | 0 | 112.2 | E887 I888 K895 | E887-K891 PolarHBondContact O-N 3.49Å; I888-K891 PolarHBondContact O-N 3.13Å; K891-K895 WeakPolarHBondContact O-CG 3.44Å; K891-K895 PolarHBondContact O-N 3.44Å |
| 892 | H | 80.9 | Confident | 84.3 | Confident | 125 Ų | 125 | 105.9 Ų | 105.9 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.7 | -45.2 | 176 | -171.6 | -81.8 | 0 | 0 | 0 | 112 | I888 L889 K890 I894 K895 E896 | I888-H892 PolarHBondContact O-N 3.34Å; L889-H892 PolarHBondContact O-N 3.5Å; K890-H892 VanDerWaalsContact C-N 3.31Å; K890-H892 PolarHBondContact O-N 3.43Å; H892-I894 PolarHBondContact O-N 3.19Å; H892-K895 PolarHBondContact O-N 3.08Å; H892-E896 WeakPolarHBondContact O-CB 3.47Å; H892-E896 PolarHBondContact O-N 3.42Å |
| 893 | M | 85.8 | Confident | 84.2 | Confident | 109 Ų | 109 | 109.6 Ų | 109.6 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 176.9 | -89.4 | -174.4 | 61.6 | 0 | 0 | 113.1 | L889 K890 E896 Q897 | L889-M893 PolarHBondContact O-N 3.5Å; K890-M893 PolarHBondContact O-N 3.45Å; M893-E896 PolarHBondContact O-N 3.42Å; M893-Q897 WeakPolarHBondContact O-CG 3.5Å; M893-Q897 PolarHBondContact O-N 3.1Å; M893-Q897 VanDerWaalsContact O-N 3.08Å |
| 894 | I | 87.9 | Confident | 84.3 | Confident | 95 Ų | 95 | 110.9 Ų | 110.9 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 178.4 | -66.6 | 167.5 | 0 | 0 | 0 | 110.1 | K890 H892 E896 Q897 E898 | K890-I894 WeakPolarHBondContact O-CG1 3.5Å; K890-I894 PolarHBondContact O-N 3.45Å; K890-I894 VanDerWaalsContact O-N 3.11Å; H892-I894 PolarHBondContact O-N 3.19Å; I894-E896 VanDerWaalsContact C-N 3.32Å; I894-E896 PolarHBondContact O-N 3.47Å; I894-Q897 PolarHBondContact O-N 3.13Å; I894-E898 WeakPolarHBondContact O-CG 3.48Å; I894-E898 PolarHBondContact O-N 3.47Å |
| 895 | K | 85 | Confident | 84.5 | Confident | 147 Ų | 147 | 111.8 Ų | 111.8 | 64% | 0.639 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.5 | -38.6 | 177.2 | -75.2 | -172.9 | 175.4 | -172 | 0 | 112.8 | K891 H892 E898 L899 | K891-K895 WeakPolarHBondContact O-CG 3.44Å; K891-K895 PolarHBondContact O-N 3.44Å; H892-K895 PolarHBondContact O-N 3.08Å; K895-E898 PolarHBondContact O-N 3.45Å; K895-L899 WeakPolarHBondContact O-CB 3.5Å; K895-L899 PolarHBondContact O-N 3.27Å |
| 896 | E | 84.6 | Confident | 84.4 | Confident | 83 Ų | 83 | 107 Ų | 107 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 177.5 | -164.2 | -170.4 | 146.9 | 0 | 0 | 112.1 | H892 M893 I894 L899 K900 | H892-E896 WeakPolarHBondContact O-CB 3.47Å; H892-E896 PolarHBondContact O-N 3.42Å; M893-E896 PolarHBondContact O-N 3.42Å; I894-E896 VanDerWaalsContact C-N 3.32Å; I894-E896 PolarHBondContact O-N 3.47Å; E896-L899 PolarHBondContact O-N 3.22Å; E896-K900 WeakPolarHBondContact O-CG 3.36Å; E896-K900 PolarHBondContact O-N 2.99Å; E896-K900 VanDerWaalsContact O-N 3.07Å; E896-K900 IonicContact OE1-NZ 4Å; E896-K900 PolarHBondContact OE1-NZ 3.36Å |
| 897 | Q | 84.3 | Confident | 84.5 | Confident | 113 Ų | 113 | 109 Ų | 109 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 174.3 | -73.2 | -175.1 | -5.6 | 0 | 0 | 112.5 | M893 I894 K901 | M893-Q897 WeakPolarHBondContact O-CG 3.5Å; M893-Q897 PolarHBondContact O-N 3.1Å; M893-Q897 VanDerWaalsContact O-N 3.08Å; I894-Q897 PolarHBondContact O-N 3.13Å; Q897-K901 WeakPolarHBondContact O-CG 3.45Å; Q897-K901 PolarHBondContact O-N 3.49Å; Q897-K901 VanDerWaalsContact O-N 3.1Å |
| 898 | E | 85.8 | Confident | 84.7 | Confident | 110 Ų | 110 | 108.7 Ų | 108.7 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 174 | -72.8 | 175.5 | 168.5 | 0 | 0 | 111.7 | I894 K895 K901 L902 | I894-E898 WeakPolarHBondContact O-CG 3.48Å; I894-E898 PolarHBondContact O-N 3.47Å; K895-E898 PolarHBondContact O-N 3.45Å; E898-K901 PolarHBondContact O-N 3.47Å; E898-L902 WeakPolarHBondContact O-CG 3.42Å; E898-L902 PolarHBondContact O-N 3.28Å |
| 899 | L | 82.2 | Confident | 84.7 | Confident | 102 Ų | 102 | 109.1 Ų | 109.1 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 177.8 | -135.7 | 152.3 | 0 | 0 | 0 | 111.5 | K895 E896 K901 L902 E903 | K895-L899 WeakPolarHBondContact O-CB 3.5Å; K895-L899 PolarHBondContact O-N 3.27Å; E896-L899 PolarHBondContact O-N 3.22Å; L899-K901 VanDerWaalsContact C-N 3.33Å; L899-K901 PolarHBondContact O-N 3.48Å; L899-L902 PolarHBondContact O-N 3.24Å; L899-L902 VanDerWaalsContact O-N 3.15Å; L899-E903 HydrophobicContact CD2-CG 4.37Å; L899-E903 PolarHBondContact O-N 3.22Å |
| 900 | K | 86.8 | Confident | 84.7 | Confident | 112 Ų | 112 | 109.1 Ų | 109.1 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 174 | -74.7 | 174.7 | -174.5 | 162.6 | 0 | 112.7 | E896 L902 E903 V904 | E896-K900 WeakPolarHBondContact O-CG 3.36Å; E896-K900 PolarHBondContact O-N 2.99Å; E896-K900 VanDerWaalsContact O-N 3.07Å; E896-K900 IonicContact OE1-NZ 4Å; E896-K900 PolarHBondContact OE1-NZ 3.36Å; K900-L902 VanDerWaalsContact C-N 3.35Å; K900-E903 PolarHBondContact O-N 3.4Å; K900-V904 WeakPolarHBondContact O-CG2 3.46Å; K900-V904 PolarHBondContact O-N 3.39Å; K900-V904 VanDerWaalsContact O-N 3.12Å |
| 901 | K | 85.7 | Confident | 84.8 | Confident | 144 Ų | 144 | 111.1 Ų | 111.1 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.1 | -37.2 | 175.6 | -75.4 | 176.6 | -178.6 | 176.8 | 0 | 112.1 | Q897 E898 L899 K905 | Q897-K901 WeakPolarHBondContact O-CG 3.45Å; Q897-K901 PolarHBondContact O-N 3.49Å; Q897-K901 VanDerWaalsContact O-N 3.1Å; E898-K901 PolarHBondContact O-N 3.47Å; L899-K901 VanDerWaalsContact C-N 3.33Å; L899-K901 PolarHBondContact O-N 3.48Å; K901-K905 WeakPolarHBondContact O-CG 3.49Å; K901-K905 PolarHBondContact O-N 3.49Å |
| 902 | L | 81.8 | Confident | 84.8 | Confident | 114 Ų | 114 | 110.6 Ų | 110.6 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.8 | -39.1 | 176.8 | -73.3 | 173.1 | 0 | 0 | 0 | 112 | E898 L899 K900 K905 A906 | E898-L902 WeakPolarHBondContact O-CG 3.42Å; E898-L902 PolarHBondContact O-N 3.28Å; L899-L902 PolarHBondContact O-N 3.24Å; L899-L902 VanDerWaalsContact O-N 3.15Å; K900-L902 VanDerWaalsContact C-N 3.35Å; L902-K905 PolarHBondContact O-N 3.34Å; L902-A906 PolarHBondContact O-N 3.03Å |
| 903 | E | 80.1 | Confident | 84.9 | Confident | 108 Ų | 108 | 110.8 Ų | 110.8 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 174 | -76.2 | 176.3 | 168.2 | 0 | 0 | 112 | L899 K900 K905 A906 I907 | L899-E903 HydrophobicContact CD2-CG 4.37Å; L899-E903 PolarHBondContact O-N 3.22Å; K900-E903 PolarHBondContact O-N 3.4Å; E903-K905 VanDerWaalsContact C-N 3.31Å; E903-K905 PolarHBondContact O-N 3.4Å; E903-A906 PolarHBondContact O-N 3.48Å; E903-I907 WeakPolarHBondContact O-CG1 3.33Å; E903-I907 PolarHBondContact O-N 3.22Å |
| 904 | V | 88.5 | Confident | 84.9 | Confident | 85 Ų | 85 | 112.7 Ų | 112.7 | 52% | 0.515 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 176.7 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | K900 I907 N908 | K900-V904 WeakPolarHBondContact O-CG2 3.46Å; K900-V904 PolarHBondContact O-N 3.39Å; K900-V904 VanDerWaalsContact O-N 3.12Å; V904-I907 PolarHBondContact O-N 3.03Å; V904-N908 PolarHBondContact O-N 3.23Å |
| 905 | K | 85.7 | Confident | 85 | Confident | 141 Ų | 141 | 112.6 Ų | 112.6 | 61% | 0.613 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 175.2 | -79.2 | -175.1 | 176.5 | -171.9 | 0 | 112.3 | K901 L902 E903 N908 Q909 | K901-K905 WeakPolarHBondContact O-CG 3.49Å; K901-K905 PolarHBondContact O-N 3.49Å; L902-K905 PolarHBondContact O-N 3.34Å; E903-K905 VanDerWaalsContact C-N 3.31Å; E903-K905 PolarHBondContact O-N 3.4Å; K905-N908 PolarHBondContact O-N 3.42Å; K905-Q909 WeakPolarHBondContact O-CG 3.44Å; K905-Q909 PolarHBondContact O-N 3.25Å |
| 906 | A | 80.8 | Confident | 84.9 | Confident | 54 Ų | 54 | 108.4 Ų | 108.4 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L902 E903 Q909 E910 | L902-A906 PolarHBondContact O-N 3.03Å; E903-A906 PolarHBondContact O-N 3.48Å; A906-Q909 PolarHBondContact O-N 3.48Å; A906-E910 PolarHBondContact O-N 3.2Å |
| 907 | I | 88.1 | Confident | 85.1 | Confident | 108 Ų | 108 | 108.2 Ų | 108.2 | 55% | 0.554 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 176.5 | -67.6 | 166.7 | 0 | 0 | 0 | 111.2 | E903 V904 E910 K911 | E903-I907 WeakPolarHBondContact O-CG1 3.33Å; E903-I907 PolarHBondContact O-N 3.22Å; V904-I907 PolarHBondContact O-N 3.03Å; I907-E910 PolarHBondContact O-N 3.26Å; I907-K911 PolarHBondContact O-N 3.45Å |
| 908 | N | 86.9 | Confident | 85.3 | Confident | 84 Ų | 84 | 106.8 Ų | 106.8 | 45% | 0.449 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 178 | -74.4 | -6.5 | 0 | 0 | 0 | 112 | V904 K905 E910 K911 E912 | V904-N908 PolarHBondContact O-N 3.23Å; K905-N908 PolarHBondContact O-N 3.42Å; N908-E910 VanDerWaalsContact C-N 3.33Å; N908-E910 PolarHBondContact O-N 3.2Å; N908-K911 WeakPolarHBondContact O-CB 3.34Å; N908-K911 PolarHBondContact O-N 3.19Å; N908-E912 WeakPolarHBondContact O-CG 3.11Å; N908-E912 PolarHBondContact O-N 3.48Å |
| 909 | Q | 82.6 | Confident | 85.4 | Confident | 127 Ų | 127 | 106.4 Ų | 106.4 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 175.2 | -76.7 | -176 | -34.6 | 0 | 0 | 112.4 | K905 A906 K911 E912 L913 | K905-Q909 WeakPolarHBondContact O-CG 3.44Å; K905-Q909 PolarHBondContact O-N 3.25Å; A906-Q909 PolarHBondContact O-N 3.48Å; Q909-K911 VanDerWaalsContact C-N 3.32Å; Q909-E912 PolarHBondContact O-N 3.46Å; Q909-L913 WeakPolarHBondContact O-CB 3.44Å; Q909-L913 WeakPolarHBondContact O-CG 3.37Å; Q909-L913 PolarHBondContact O-N 3.45Å |
| 910 | E | 84.2 | Confident | 85.4 | Confident | 112 Ų | 112 | 106.9 Ų | 106.9 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 174.7 | -164.4 | -169.9 | 149.5 | 0 | 0 | 111.8 | A906 I907 N908 R914 | A906-E910 PolarHBondContact O-N 3.2Å; I907-E910 PolarHBondContact O-N 3.26Å; N908-E910 VanDerWaalsContact C-N 3.33Å; N908-E910 PolarHBondContact O-N 3.2Å; E910-R914 WeakPolarHBondContact O-CB 3.47Å; E910-R914 PolarHBondContact O-N 3.33Å; E910-R914 VanDerWaalsContact O-N 3.1Å; E910-R914 IonicContact OE1-NH2 2.65Å; E910-R914 PolarHBondContact OE1-NH2 3.32Å |
| 911 | K | 88.8 | Confident | 85.3 | Confident | 124 Ų | 124 | 107 Ų | 107 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 175.9 | -167.3 | -174.2 | -179.5 | -111.5 | 0 | 111.7 | I907 N908 Q909 L913 R914 E915 | I907-K911 PolarHBondContact O-N 3.45Å; N908-K911 WeakPolarHBondContact O-CB 3.34Å; N908-K911 PolarHBondContact O-N 3.19Å; Q909-K911 VanDerWaalsContact C-N 3.32Å; K911-L913 VanDerWaalsContact C-N 3.34Å; K911-L913 PolarHBondContact O-N 3.47Å; K911-R914 WeakPolarHBondContact O-CB 3.49Å; K911-R914 PolarHBondContact O-N 3.29Å; K911-R914 VanDerWaalsContact O-N 3.13Å; K911-E915 WeakPolarHBondContact CE-OE1 3.46Å; K911-E915 IonicContact NZ-OE1 3.17Å; K911-E915 PolarHBondContact NZ-OE1 3.31Å; K911-E915 WeakPolarHBondContact O-CG 3.43Å; K911-E915 PolarHBondContact O-N 3.42Å |
| 912 | E | 83.8 | Confident | 85.4 | Confident | 126 Ų | 126 | 105.6 Ų | 105.6 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -42.6 | 177.2 | -74.1 | 172.3 | -170.7 | 0 | 0 | 111.8 | N908 Q909 R914 E915 A916 | N908-E912 WeakPolarHBondContact O-CG 3.11Å; N908-E912 PolarHBondContact O-N 3.48Å; Q909-E912 PolarHBondContact O-N 3.46Å; E912-R914 VanDerWaalsContact C-N 3.29Å; E912-R914 PolarHBondContact O-N 3.42Å; E912-E915 PolarHBondContact O-N 3.24Å; E912-A916 WeakPolarHBondContact O-CB 3.46Å; E912-A916 PolarHBondContact O-N 3.28Å |
| 913 | L | 82.4 | Confident | 85.4 | Confident | 128 Ų | 128 | 104.8 Ų | 104.8 | 67% | 0.67 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -32.9 | 176 | -75.7 | 171.9 | 0 | 0 | 0 | 112.8 | Q909 K911 N917 | Q909-L913 WeakPolarHBondContact O-CB 3.44Å; Q909-L913 WeakPolarHBondContact O-CG 3.37Å; Q909-L913 PolarHBondContact O-N 3.45Å; K911-L913 VanDerWaalsContact C-N 3.34Å; K911-L913 PolarHBondContact O-N 3.47Å; L913-N917 WeakPolarHBondContact O-CB 3.23Å; L913-N917 PolarHBondContact O-N 3.43Å; L913-N917 VanDerWaalsContact O-N 3.11Å |
| 914 | R | 87.4 | Confident | 85.7 | Confident | 149 Ų | 149 | 107.2 Ų | 107.2 | 56% | 0.562 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.9 | -47.1 | 176.8 | -162.7 | 179.7 | -60.9 | -167 | 1.3 | 111.1 | E910 K911 E912 A916 N917 D918 | E910-R914 WeakPolarHBondContact O-CB 3.47Å; E910-R914 PolarHBondContact O-N 3.33Å; E910-R914 VanDerWaalsContact O-N 3.1Å; E910-R914 IonicContact OE1-NH2 2.65Å; E910-R914 PolarHBondContact OE1-NH2 3.32Å; K911-R914 WeakPolarHBondContact O-CB 3.49Å; K911-R914 PolarHBondContact O-N 3.29Å; K911-R914 VanDerWaalsContact O-N 3.13Å; E912-R914 VanDerWaalsContact C-N 3.29Å; E912-R914 PolarHBondContact O-N 3.42Å; R914-A916 PolarHBondContact O-N 3.29Å; R914-N917 PolarHBondContact O-N 3.3Å; R914-D918 PolarHBondContact O-N 3.28Å |
| 915 | E | 88.3 | Confident | 85.5 | Confident | 94 Ų | 94 | 108.1 Ų | 108.1 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 176.1 | -71 | 171.4 | -176.3 | 0 | 0 | 111.2 | K911 E912 N917 D918 E919 | K911-E915 WeakPolarHBondContact CE-OE1 3.46Å; K911-E915 IonicContact NZ-OE1 3.17Å; K911-E915 PolarHBondContact NZ-OE1 3.31Å; K911-E915 WeakPolarHBondContact O-CG 3.43Å; K911-E915 PolarHBondContact O-N 3.42Å; E912-E915 PolarHBondContact O-N 3.24Å; E915-N917 VanDerWaalsContact C-N 3.31Å; E915-N917 PolarHBondContact O-N 3.47Å; E915-D918 PolarHBondContact O-N 3.1Å; E915-E919 PolarHBondContact O-N 3.16Å |
| 916 | A | 84.5 | Confident | 85.6 | Confident | 58 Ų | 58 | 106.4 Ų | 106.4 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -34.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E912 R914 K920 | E912-A916 WeakPolarHBondContact O-CB 3.46Å; E912-A916 PolarHBondContact O-N 3.28Å; R914-A916 PolarHBondContact O-N 3.29Å; A916-K920 WeakPolarHBondContact O-CB 3.46Å; A916-K920 PolarHBondContact O-N 3.28Å |
| 917 | N | 87.2 | Confident | 85.6 | Confident | 79 Ų | 79 | 108.2 Ų | 108.2 | 42% | 0.422 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.1 | -37.8 | 177.2 | -169.9 | 60.6 | 0 | 0 | 0 | 112.2 | L913 R914 E915 K920 Q921 | L913-N917 WeakPolarHBondContact O-CB 3.23Å; L913-N917 PolarHBondContact O-N 3.43Å; L913-N917 VanDerWaalsContact O-N 3.11Å; R914-N917 PolarHBondContact O-N 3.3Å; E915-N917 VanDerWaalsContact C-N 3.31Å; E915-N917 PolarHBondContact O-N 3.47Å; N917-K920 PolarHBondContact O-N 3.43Å; N917-Q921 PolarHBondContact O-N 3.23Å |
| 918 | D | 89.7 | Confident | 85.6 | Confident | 84 Ų | 84 | 110.8 Ų | 110.8 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 174.7 | -69.5 | -17.5 | 0 | 0 | 0 | 111.1 | R914 E915 Q921 R922 | R914-D918 PolarHBondContact O-N 3.28Å; E915-D918 PolarHBondContact O-N 3.1Å; D918-Q921 PolarHBondContact O-N 3.46Å; D918-R922 PolarHBondContact O-N 3.06Å |
| 919 | E | 87 | Confident | 85.6 | Confident | 101 Ų | 101 | 114.3 Ų | 114.3 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 175.2 | -174.2 | 155.4 | -165.7 | 0 | 0 | 112.5 | E915 Q921 R922 L923 | E915-E919 PolarHBondContact O-N 3.16Å; E919-Q921 PolarHBondContact O-N 3.48Å; E919-R922 PolarHBondContact O-N 3.38Å; E919-R922 VanDerWaalsContact O-N 3.15Å; E919-L923 HydrophobicContact CG-CD1 4.4Å; E919-L923 WeakPolarHBondContact O-CG 3.44Å; E919-L923 PolarHBondContact O-N 3.23Å |
| 920 | K | 82.6 | Confident | 85.5 | Confident | 113 Ų | 113 | 113.7 Ų | 113.7 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -55 | -41.4 | 172 | -165.6 | -174.3 | 79.3 | -179.6 | 0 | 111 | A916 N917 L923 Y924 | A916-K920 WeakPolarHBondContact O-CB 3.46Å; A916-K920 PolarHBondContact O-N 3.28Å; N917-K920 PolarHBondContact O-N 3.43Å; K920-L923 PolarHBondContact O-N 3.29Å; K920-Y924 HydrophobicContact CD-CE2 3.98Å; K920-Y924 HydrophobicContact CG-CD2 3.97Å; K920-Y924 HydrophobicContact CG-CE2 3.75Å; K920-Y924 WeakPolarHBondContact O-CD2 3.38Å; K920-Y924 PolarHBondContact O-N 3.12Å |
| 921 | Q | 85.7 | Confident | 85.4 | Confident | 113 Ų | 113 | 114.9 Ų | 114.9 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69 | -40.6 | 179.1 | -168.9 | 156.1 | -19.1 | 0 | 0 | 112.5 | N917 D918 E919 L923 Y924 E925 | N917-Q921 PolarHBondContact O-N 3.23Å; D918-Q921 PolarHBondContact O-N 3.46Å; E919-Q921 PolarHBondContact O-N 3.48Å; Q921-L923 PolarHBondContact O-N 3.41Å; Q921-Y924 PolarHBondContact O-N 3.49Å; Q921-E925 PolarHBondContact O-N 3.46Å; Q921-E925 VanDerWaalsContact O-N 3.15Å |
| 922 | R | 86.5 | Confident | 85.3 | Confident | 116 Ų | 116 | 114 Ų | 114 | 44% | 0.438 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.3 | -47.3 | 171.6 | -76.2 | -167.1 | -96.3 | 177.8 | -3.3 | 111.6 | D918 E919 Y924 E925 E926 E1053 | D918-R922 PolarHBondContact O-N 3.06Å; E919-R922 PolarHBondContact O-N 3.38Å; E919-R922 VanDerWaalsContact O-N 3.15Å; R922-Y924 PolarHBondContact O-N 3.39Å; R922-E925 PolarHBondContact O-N 3.25Å; R922-E926 PolarHBondContact O-N 2.9Å; R922-E1053 IonicContact CZ-OE1 3.99Å; R922-E1053 IonicContact CZ-OE2 2.73Å; R922-E1053 IonicContact NH1-OE1 2.69Å; R922-E1053 IonicContact NH1-OE2 3.81Å; R922-E1053 PolarHBondContact NH1-OE2 3.18Å; R922-E1053 IonicContact NH2-OE1 3.77Å; R922-E1053 PolarHBondContact NH2-OE1 3.12Å; R922-E1053 IonicContact NH2-OE2 2.83Å |
| 923 | L | 83.2 | Confident | 85.3 | Confident | 97 Ų | 97 | 111.7 Ų | 111.7 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 178.6 | -70.3 | 172.7 | 0 | 0 | 0 | 112.4 | E919 K920 Q921 E925 E926 L927 | E919-L923 HydrophobicContact CG-CD1 4.4Å; E919-L923 WeakPolarHBondContact O-CG 3.44Å; E919-L923 PolarHBondContact O-N 3.23Å; K920-L923 PolarHBondContact O-N 3.29Å; Q921-L923 PolarHBondContact O-N 3.41Å; L923-E925 VanDerWaalsContact C-N 3.33Å; L923-E925 PolarHBondContact O-N 3.47Å; L923-E926 PolarHBondContact O-N 3.41Å; L923-L927 WeakPolarHBondContact O-CB 3.5Å; L923-L927 PolarHBondContact O-N 3.38Å |
| 924 | Y | 84.8 | Confident | 85.2 | Confident | 159 Ų | 159 | 110.8 Ų | 110.8 | 62% | 0.624 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -38.7 | 174.9 | -89.3 | -66 | 0 | 0 | 0 | 112.9 | K920 Q921 R922 K928 | K920-Y924 HydrophobicContact CD-CE2 3.98Å; K920-Y924 HydrophobicContact CG-CD2 3.97Å; K920-Y924 HydrophobicContact CG-CE2 3.75Å; K920-Y924 WeakPolarHBondContact O-CD2 3.38Å; K920-Y924 PolarHBondContact O-N 3.12Å; Q921-Y924 PolarHBondContact O-N 3.49Å; R922-Y924 PolarHBondContact O-N 3.39Å; Y924-K928 WeakPolarHBondContact O-CB 2.94Å; Y924-K928 PolarHBondContact O-N 3.32Å; Y924-K928 VanDerWaalsContact O-N 3.1Å |
| 925 | E | 86.3 | Confident | 85.2 | Confident | 103 Ų | 103 | 107.4 Ų | 107.4 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.7 | -37.8 | 176.3 | -71.9 | -174.8 | 178.3 | 0 | 0 | 112.5 | Q921 R922 L923 K928 R929 | Q921-E925 PolarHBondContact O-N 3.46Å; Q921-E925 VanDerWaalsContact O-N 3.15Å; R922-E925 PolarHBondContact O-N 3.25Å; L923-E925 VanDerWaalsContact C-N 3.33Å; L923-E925 PolarHBondContact O-N 3.47Å; E925-K928 PolarHBondContact O-N 3.22Å; E925-R929 PolarHBondContact O-N 3.21Å |
| 926 | E | 87.7 | Confident | 84.9 | Confident | 105 Ų | 105 | 107.6 Ų | 107.6 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 175.6 | -172.1 | 166.5 | -162.3 | 0 | 0 | 112.1 | R922 L923 K928 R929 M930 | R922-E926 PolarHBondContact O-N 2.9Å; L923-E926 PolarHBondContact O-N 3.41Å; E926-K928 VanDerWaalsContact C-N 3.26Å; E926-K928 PolarHBondContact O-N 3.4Å; E926-R929 PolarHBondContact O-N 3.31Å; E926-R929 VanDerWaalsContact O-N 3.11Å; E926-M930 HydrophobicContact CG-CE 4.49Å; E926-M930 PolarHBondContact O-N 3.04Å |
| 927 | L | 80.5 | Confident | 84.8 | Confident | 92 Ų | 92 | 113.2 Ų | 113.2 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 174.8 | -132.8 | 155.4 | 0 | 0 | 0 | 111.5 | L923 K931 | L923-L927 WeakPolarHBondContact O-CB 3.5Å; L923-L927 PolarHBondContact O-N 3.38Å; L927-K931 WeakPolarHBondContact O-CG 3.32Å; L927-K931 PolarHBondContact O-N 3.13Å; L927-K931 VanDerWaalsContact O-N 3.1Å |
| 928 | K | 87.9 | Confident | 84.4 | Confident | 163 Ų | 163 | 114.5 Ų | 114.5 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.8 | -41.6 | 173.3 | -171 | 179.9 | 179.5 | -176.6 | 0 | 112.1 | Y924 E925 E926 K931 Q932 | Y924-K928 WeakPolarHBondContact O-CB 2.94Å; Y924-K928 PolarHBondContact O-N 3.32Å; Y924-K928 VanDerWaalsContact O-N 3.1Å; E925-K928 PolarHBondContact O-N 3.22Å; E926-K928 VanDerWaalsContact C-N 3.26Å; E926-K928 PolarHBondContact O-N 3.4Å; K928-K931 PolarHBondContact O-N 3.48Å; K928-Q932 PolarHBondContact O-N 3.37Å |
| 929 | R | 86.6 | Confident | 84.2 | Confident | 157 Ų | 157 | 114.4 Ų | 114.4 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.2 | -47 | 175 | -80.4 | -173.3 | -87.1 | -142.4 | -5 | 112.1 | E925 E926 K931 Q932 D933 | E925-R929 PolarHBondContact O-N 3.21Å; E926-R929 PolarHBondContact O-N 3.31Å; E926-R929 VanDerWaalsContact O-N 3.11Å; R929-K931 VanDerWaalsContact C-N 3.32Å; R929-K931 PolarHBondContact O-N 3.48Å; R929-Q932 WeakPolarHBondContact O-CB 3.26Å; R929-Q932 PolarHBondContact O-N 3.29Å; R929-Q932 VanDerWaalsContact O-N 3.09Å; R929-D933 PolarHBondContact O-N 3.15Å |
| 930 | M | 80 | Confident | 84.1 | Confident | 115 Ų | 115 | 113.6 Ų | 113.6 | 57% | 0.567 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60 | -39.7 | 176.5 | -85.9 | -164.2 | -73 | 0 | 0 | 112.9 | E926 Q932 D933 Q934 | E926-M930 HydrophobicContact CG-CE 4.49Å; E926-M930 PolarHBondContact O-N 3.04Å; M930-Q932 VanDerWaalsContact C-N 3.32Å; M930-Q932 PolarHBondContact O-N 3.33Å; M930-D933 PolarHBondContact O-N 3.5Å; M930-Q934 WeakPolarHBondContact O-CB 3.24Å; M930-Q934 PolarHBondContact O-N 3.16Å |
| 931 | K | 82.1 | Confident | 83.9 | Confident | 136 Ų | 136 | 113.2 Ų | 113.2 | 59% | 0.591 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.2 | -39.4 | 174.5 | -80.7 | -175.8 | 176.8 | -176 | 0 | 112.3 | L927 K928 R929 Q934 V935 | L927-K931 WeakPolarHBondContact O-CG 3.32Å; L927-K931 PolarHBondContact O-N 3.13Å; L927-K931 VanDerWaalsContact O-N 3.1Å; K928-K931 PolarHBondContact O-N 3.48Å; R929-K931 VanDerWaalsContact C-N 3.32Å; R929-K931 PolarHBondContact O-N 3.48Å; K931-Q934 PolarHBondContact O-N 3.32Å; K931-V935 WeakPolarHBondContact O-CG2 3.45Å; K931-V935 PolarHBondContact O-N 3.29Å; K931-V935 VanDerWaalsContact O-N 3.16Å |
| 932 | Q | 86.3 | Confident | 83.8 | Confident | 105 Ų | 105 | 110.7 Ų | 110.7 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 175.7 | -177.3 | 63.7 | 26.7 | 0 | 0 | 111.3 | K928 R929 M930 Q934 V935 E936 | K928-Q932 PolarHBondContact O-N 3.37Å; R929-Q932 WeakPolarHBondContact O-CB 3.26Å; R929-Q932 PolarHBondContact O-N 3.29Å; R929-Q932 VanDerWaalsContact O-N 3.09Å; M930-Q932 VanDerWaalsContact C-N 3.32Å; M930-Q932 PolarHBondContact O-N 3.33Å; Q932-Q934 VanDerWaalsContact C-N 3.29Å; Q932-Q934 PolarHBondContact O-N 3.49Å; Q932-V935 PolarHBondContact O-N 3.1Å; Q932-E936 PolarHBondContact NE2-OE1 2.84Å; Q932-E936 PolarHBondContact O-N 3.35Å |
| 933 | D | 84.6 | Confident | 83.7 | Confident | 78 Ų | 78 | 110.3 Ų | 110.3 | 42% | 0.417 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61 | -37.1 | 177.5 | -75.9 | 6.7 | 0 | 0 | 0 | 112.3 | R929 M930 E936 R937 | R929-D933 PolarHBondContact O-N 3.15Å; M930-D933 PolarHBondContact O-N 3.5Å; D933-E936 PolarHBondContact O-N 3.29Å; D933-R937 WeakPolarHBondContact O-CG 3.32Å; D933-R937 PolarHBondContact O-N 3.36Å |
| 934 | Q | 81.3 | Confident | 83.7 | Confident | 109 Ų | 109 | 109.5 Ų | 109.5 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 175.4 | -177.7 | 177.1 | -6.8 | 0 | 0 | 111.3 | M930 K931 Q932 E936 R937 E938 | M930-Q934 WeakPolarHBondContact O-CB 3.24Å; M930-Q934 PolarHBondContact O-N 3.16Å; K931-Q934 PolarHBondContact O-N 3.32Å; Q932-Q934 VanDerWaalsContact C-N 3.29Å; Q932-Q934 PolarHBondContact O-N 3.49Å; Q934-E936 VanDerWaalsContact C-N 3.3Å; Q934-E936 PolarHBondContact O-N 3.27Å; Q934-R937 PolarHBondContact O-N 3.36Å; Q934-E938 WeakPolarHBondContact CG-OE1 3.47Å; Q934-E938 PolarHBondContact NE2-OE1 3.46Å; Q934-E938 WeakPolarHBondContact O-CG 3.14Å; Q934-E938 PolarHBondContact O-N 3.37Å |
| 935 | V | 85.6 | Confident | 83.6 | Confident | 78 Ų | 78 | 106.4 Ų | 106.4 | 47% | 0.473 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 176.8 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | K931 Q932 E938 T939 | K931-V935 WeakPolarHBondContact O-CG2 3.45Å; K931-V935 PolarHBondContact O-N 3.29Å; K931-V935 VanDerWaalsContact O-N 3.16Å; Q932-V935 PolarHBondContact O-N 3.1Å; V935-E938 PolarHBondContact O-N 3.01Å; V935-T939 WeakPolarHBondContact O-CG2 3.48Å; V935-T939 PolarHBondContact O-N 3.34Å; V935-T939 PolarHBondContact O-OG1 3.5Å |
| 936 | E | 83.7 | Confident | 83.6 | Confident | 99 Ų | 99 | 108.1 Ų | 108.1 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.9 | -72.8 | 177.4 | -163.3 | 0 | 0 | 112.2 | Q932 D933 Q934 T939 V940 | Q932-E936 PolarHBondContact NE2-OE1 2.84Å; Q932-E936 PolarHBondContact O-N 3.35Å; D933-E936 PolarHBondContact O-N 3.29Å; Q934-E936 VanDerWaalsContact C-N 3.3Å; Q934-E936 PolarHBondContact O-N 3.27Å; E936-T939 WeakPolarHBondContact CA-OG1 3.44Å; E936-T939 PolarHBondContact O-N 3.21Å; E936-T939 PolarHBondContact O-OG1 2.87Å; E936-V940 WeakPolarHBondContact O-CG2 3.12Å; E936-V940 PolarHBondContact O-N 3.35Å |
| 937 | R | 80.8 | Confident | 83.6 | Confident | 176 Ų | 176 | 108.5 Ų | 108.5 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 175.2 | -72.5 | 176.3 | -172.8 | 164.9 | 6.7 | 112.5 | D933 Q934 V940 L941 | D933-R937 WeakPolarHBondContact O-CG 3.32Å; D933-R937 PolarHBondContact O-N 3.36Å; Q934-R937 PolarHBondContact O-N 3.36Å; R937-V940 PolarHBondContact O-N 3.24Å; R937-L941 WeakPolarHBondContact O-CB 3Å; R937-L941 PolarHBondContact O-N 3.48Å |
| 938 | E | 80.5 | Confident | 83.6 | Confident | 106 Ų | 106 | 108.3 Ų | 108.3 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.7 | -75.8 | 174.4 | -168.5 | 0 | 0 | 111.8 | Q934 V935 L941 A942 | Q934-E938 WeakPolarHBondContact CG-OE1 3.47Å; Q934-E938 PolarHBondContact NE2-OE1 3.46Å; Q934-E938 WeakPolarHBondContact O-CG 3.14Å; Q934-E938 PolarHBondContact O-N 3.37Å; V935-E938 PolarHBondContact O-N 3.01Å; E938-L941 PolarHBondContact O-N 3.43Å; E938-A942 WeakPolarHBondContact O-CB 3.4Å; E938-A942 PolarHBondContact O-N 3.18Å |
| 939 | T | 84.7 | Confident | 83.4 | Confident | 82 Ų | 82 | 106.1 Ų | 106.1 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 175.2 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | V935 E936 L941 A942 E943 | V935-T939 WeakPolarHBondContact O-CG2 3.48Å; V935-T939 PolarHBondContact O-N 3.34Å; V935-T939 PolarHBondContact O-OG1 3.5Å; E936-T939 WeakPolarHBondContact CA-OG1 3.44Å; E936-T939 PolarHBondContact O-N 3.21Å; E936-T939 PolarHBondContact O-OG1 2.87Å; T939-L941 PolarHBondContact O-N 3.46Å; T939-A942 PolarHBondContact O-N 3.49Å; T939-E943 PolarHBondContact O-N 3.31Å |
| 940 | V | 84.9 | Confident | 83.4 | Confident | 83 Ų | 83 | 104.4 Ų | 104.4 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | E936 R937 E943 N944 | E936-V940 WeakPolarHBondContact O-CG2 3.12Å; E936-V940 PolarHBondContact O-N 3.35Å; R937-V940 PolarHBondContact O-N 3.24Å; V940-E943 PolarHBondContact O-N 3.32Å; V940-N944 WeakPolarHBondContact O-CB 3.34Å; V940-N944 PolarHBondContact O-N 3.47Å |
| 941 | L | 77.9 | Confident | 83.5 | Confident | 106 Ų | 106 | 103.6 Ų | 103.6 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -41.5 | 174.8 | -90.8 | 159 | 0 | 0 | 0 | 112.2 | R937 E938 T939 N945 | R937-L941 WeakPolarHBondContact O-CB 3Å; R937-L941 PolarHBondContact O-N 3.48Å; E938-L941 PolarHBondContact O-N 3.43Å; T939-L941 PolarHBondContact O-N 3.46Å; L941-N945 WeakPolarHBondContact O-CB 3.48Å; L941-N945 PolarHBondContact O-N 3.27Å; L941-N945 PolarHBondContact O-ND2 3.29Å |
| 942 | A | 83.8 | Confident | 83.8 | Confident | 60 Ų | 60 | 104.9 Ų | 104.9 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E938 T939 N945 R946 | E938-A942 WeakPolarHBondContact O-CB 3.4Å; E938-A942 PolarHBondContact O-N 3.18Å; T939-A942 PolarHBondContact O-N 3.49Å; A942-N945 PolarHBondContact O-N 3.11Å; A942-R946 PolarHBondContact O-N 3.44Å |
| 943 | E | 85.4 | Confident | 83.8 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 176.8 | -173.4 | 129 | -128 | 0 | 0 | 112.1 | T939 V940 N945 R946 E947 | T939-E943 PolarHBondContact O-N 3.31Å; V940-E943 PolarHBondContact O-N 3.32Å; E943-N945 VanDerWaalsContact C-N 3.31Å; E943-N945 PolarHBondContact O-N 3.2Å; E943-R946 WeakPolarHBondContact O-CB 3.49Å; E943-R946 PolarHBondContact O-N 3.05Å; E943-R946 VanDerWaalsContact O-N 3.08Å; E943-R946 IonicContact OE1-CZ 3.45Å; E943-R946 IonicContact OE1-NH2 2.82Å; E943-R946 PolarHBondContact OE1-NH2 3.41Å; E943-E947 PolarHBondContact O-N 3.15Å |
| 944 | N | 82.8 | Confident | 83.9 | Confident | 81 Ų | 81 | 103.7 Ų | 103.7 | 43% | 0.433 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 174.8 | -78.5 | -17.8 | 0 | 0 | 0 | 112.1 | V940 R946 E947 L948 | V940-N944 WeakPolarHBondContact O-CB 3.34Å; V940-N944 PolarHBondContact O-N 3.47Å; N944-R946 VanDerWaalsContact C-N 3.33Å; N944-R946 PolarHBondContact O-N 3.49Å; N944-E947 PolarHBondContact O-N 3.42Å; N944-L948 WeakPolarHBondContact O-CB 3.38Å; N944-L948 PolarHBondContact O-N 2.78Å |
| 945 | N | 82.4 | Confident | 84 | Confident | 94 Ų | 94 | 104.3 Ų | 104.3 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 174.8 | -81.1 | -29.7 | 0 | 0 | 0 | 112.1 | L941 A942 E943 L948 L949 | L941-N945 WeakPolarHBondContact O-CB 3.48Å; L941-N945 PolarHBondContact O-N 3.27Å; L941-N945 PolarHBondContact O-ND2 3.29Å; A942-N945 PolarHBondContact O-N 3.11Å; E943-N945 VanDerWaalsContact C-N 3.31Å; E943-N945 PolarHBondContact O-N 3.2Å; N945-L948 PolarHBondContact O-N 3.37Å; N945-L949 WeakPolarHBondContact O-CG 3.08Å; N945-L949 PolarHBondContact O-N 3.34Å; N945-L949 VanDerWaalsContact O-N 3.08Å |
| 946 | R | 86.8 | Confident | 84 | Confident | 138 Ų | 138 | 107.8 Ų | 107.8 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 174.7 | -170.1 | 178.4 | 71.7 | 160.1 | -3.9 | 111.8 | A942 E943 N944 L949 K950 | A942-R946 PolarHBondContact O-N 3.44Å; E943-R946 WeakPolarHBondContact O-CB 3.49Å; E943-R946 PolarHBondContact O-N 3.05Å; E943-R946 VanDerWaalsContact O-N 3.08Å; E943-R946 IonicContact OE1-CZ 3.45Å; E943-R946 IonicContact OE1-NH2 2.82Å; E943-R946 PolarHBondContact OE1-NH2 3.41Å; N944-R946 VanDerWaalsContact C-N 3.33Å; N944-R946 PolarHBondContact O-N 3.49Å; R946-L949 PolarHBondContact O-N 3.2Å; R946-K950 PolarHBondContact O-N 2.87Å |
| 947 | E | 86.6 | Confident | 84.1 | Confident | 113 Ų | 113 | 108.6 Ų | 108.6 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70 | -41.4 | 177.2 | -168.8 | 167.7 | -165.1 | 0 | 0 | 112.2 | E943 N944 L949 K950 L951 | E943-E947 PolarHBondContact O-N 3.15Å; N944-E947 PolarHBondContact O-N 3.42Å; E947-L949 VanDerWaalsContact C-N 3.3Å; E947-L949 PolarHBondContact O-N 3.22Å; E947-K950 WeakPolarHBondContact O-CB 3.42Å; E947-K950 PolarHBondContact O-N 3.25Å; E947-K950 VanDerWaalsContact O-N 3.11Å; E947-L951 WeakPolarHBondContact O-CG 3.34Å; E947-L951 PolarHBondContact O-N 3.31Å |
| 948 | L | 80 | Confident | 84.2 | Confident | 89 Ų | 89 | 106.6 Ų | 106.6 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.4 | -40.8 | 172.2 | -97 | 158.3 | 0 | 0 | 0 | 112.5 | N944 N945 L951 R952 | N944-L948 WeakPolarHBondContact O-CB 3.38Å; N944-L948 PolarHBondContact O-N 2.78Å; N945-L948 PolarHBondContact O-N 3.37Å; L948-L951 PolarHBondContact O-N 3.38Å; L948-R952 WeakPolarHBondContact O-CG 3.24Å; L948-R952 PolarHBondContact O-N 3.24Å |
| 949 | L | 84.8 | Confident | 84.4 | Confident | 116 Ų | 116 | 106.3 Ų | 106.3 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.3 | -39.1 | 175.2 | -75.4 | 170.5 | 0 | 0 | 0 | 112.3 | N945 R946 E947 R952 S953 | N945-L949 WeakPolarHBondContact O-CG 3.08Å; N945-L949 PolarHBondContact O-N 3.34Å; N945-L949 VanDerWaalsContact O-N 3.08Å; R946-L949 PolarHBondContact O-N 3.2Å; E947-L949 VanDerWaalsContact C-N 3.3Å; E947-L949 PolarHBondContact O-N 3.22Å; L949-R952 PolarHBondContact O-N 3.14Å; L949-S953 PolarHBondContact O-N 3.31Å; L949-S953 VanDerWaalsContact O-N 3.09Å |
| 950 | K | 86.4 | Confident | 84.3 | Confident | 122 Ų | 122 | 108.5 Ų | 108.5 | 53% | 0.53 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 173.8 | -72 | 178.4 | -179.3 | 179.6 | 0 | 111.6 | R946 E947 R952 S953 I954 | R946-K950 PolarHBondContact O-N 2.87Å; E947-K950 WeakPolarHBondContact O-CB 3.42Å; E947-K950 PolarHBondContact O-N 3.25Å; E947-K950 VanDerWaalsContact O-N 3.11Å; K950-R952 VanDerWaalsContact C-N 3.33Å; K950-R952 PolarHBondContact O-N 3.47Å; K950-S953 WeakPolarHBondContact O-CB 3.5Å; K950-S953 PolarHBondContact O-N 3.31Å; K950-S953 VanDerWaalsContact O-N 3.12Å; K950-I954 WeakPolarHBondContact O-CG1 3.27Å; K950-I954 PolarHBondContact O-N 3.21Å |
| 951 | L | 82.7 | Confident | 84.2 | Confident | 98 Ų | 98 | 109.9 Ų | 109.9 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 178 | -70.2 | 173.4 | 0 | 0 | 0 | 111.9 | E947 L948 S953 I954 E955 | E947-L951 WeakPolarHBondContact O-CG 3.34Å; E947-L951 PolarHBondContact O-N 3.31Å; L948-L951 PolarHBondContact O-N 3.38Å; L951-S953 VanDerWaalsContact C-N 3.32Å; L951-S953 PolarHBondContact O-N 3.42Å; L951-I954 PolarHBondContact O-N 3.47Å; L951-E955 WeakPolarHBondContact O-CB 3.36Å; L951-E955 PolarHBondContact O-N 3.16Å |
| 952 | R | 87.8 | Confident | 84.2 | Confident | 163 Ų | 163 | 108 Ų | 108 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -34.5 | 173.2 | -76.5 | -175.6 | -173.4 | -179.9 | 3.8 | 113.2 | L948 L949 K950 K956 | L948-R952 WeakPolarHBondContact O-CG 3.24Å; L948-R952 PolarHBondContact O-N 3.24Å; L949-R952 PolarHBondContact O-N 3.14Å; K950-R952 VanDerWaalsContact C-N 3.33Å; K950-R952 PolarHBondContact O-N 3.47Å; R952-K956 WeakPolarHBondContact O-CG 3.48Å; R952-K956 PolarHBondContact O-N 3.27Å; R952-K956 VanDerWaalsContact O-N 3.13Å |
| 953 | S | 87 | Confident | 83.8 | Confident | 58 Ų | 58 | 111.5 Ų | 111.5 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 173.9 | -165.4 | 0 | 0 | 0 | 0 | 110.9 | L949 K950 L951 E955 K956 E957 | L949-S953 PolarHBondContact O-N 3.31Å; L949-S953 VanDerWaalsContact O-N 3.09Å; K950-S953 WeakPolarHBondContact O-CB 3.5Å; K950-S953 PolarHBondContact O-N 3.31Å; K950-S953 VanDerWaalsContact O-N 3.12Å; L951-S953 VanDerWaalsContact C-N 3.32Å; L951-S953 PolarHBondContact O-N 3.42Å; S953-E955 VanDerWaalsContact C-N 3.31Å; S953-E955 PolarHBondContact O-N 2.92Å; S953-K956 WeakPolarHBondContact O-CB 3.43Å; S953-K956 PolarHBondContact O-N 2.93Å; S953-E957 WeakPolarHBondContact O-CG 3.37Å; S953-E957 PolarHBondContact O-N 3.12Å; S953-E957 PolarHBondContact OG-OE1 3.45Å |
| 954 | I | 85.3 | Confident | 83.4 | Confident | 100 Ų | 100 | 111.8 Ų | 111.8 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 179.2 | -65.7 | 166.6 | 0 | 0 | 0 | 111 | K950 L951 E957 Y958 | K950-I954 WeakPolarHBondContact O-CG1 3.27Å; K950-I954 PolarHBondContact O-N 3.21Å; L951-I954 PolarHBondContact O-N 3.47Å; I954-E957 PolarHBondContact O-N 3.04Å; I954-Y958 WeakPolarHBondContact O-CB 3.44Å; I954-Y958 PolarHBondContact O-N 3.08Å |
| 955 | E | 83.9 | Confident | 82.9 | Confident | 122 Ų | 122 | 111.5 Ų | 111.5 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.2 | -39.2 | 177.3 | -172.7 | 161.5 | -143.3 | 0 | 0 | 112.1 | L951 S953 Y958 Q959 | L951-E955 WeakPolarHBondContact O-CB 3.36Å; L951-E955 PolarHBondContact O-N 3.16Å; S953-E955 VanDerWaalsContact C-N 3.31Å; S953-E955 PolarHBondContact O-N 2.92Å; E955-Y958 PolarHBondContact O-N 3.09Å; E955-Q959 WeakPolarHBondContact O-CG 3.36Å; E955-Q959 PolarHBondContact O-N 3.2Å |
| 956 | K | 85.9 | Confident | 82.4 | Confident | 150 Ų | 150 | 115.2 Ų | 115.2 | 65% | 0.652 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -47.1 | 171.4 | -78 | -176.2 | 176.9 | -173.9 | 0 | 111.8 | R952 S953 Y958 Q959 E960 | R952-K956 WeakPolarHBondContact O-CG 3.48Å; R952-K956 PolarHBondContact O-N 3.27Å; R952-K956 VanDerWaalsContact O-N 3.13Å; S953-K956 WeakPolarHBondContact O-CB 3.43Å; S953-K956 PolarHBondContact O-N 2.93Å; K956-Y958 VanDerWaalsContact C-N 3.28Å; K956-Y958 PolarHBondContact O-N 3.37Å; K956-Q959 PolarHBondContact O-N 3.05Å; K956-E960 WeakPolarHBondContact O-CB 3.37Å; K956-E960 PolarHBondContact O-N 3.49Å |
| 957 | E | 85 | Confident | 81.6 | Confident | 116 Ų | 116 | 112.7 Ų | 112.7 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 176.4 | -73.4 | 168.3 | -149.1 | 0 | 0 | 111.8 | S953 I954 E960 F961 | S953-E957 WeakPolarHBondContact O-CG 3.37Å; S953-E957 PolarHBondContact O-N 3.12Å; S953-E957 PolarHBondContact OG-OE1 3.45Å; I954-E957 PolarHBondContact O-N 3.04Å; E957-E960 PolarHBondContact O-N 2.76Å; E957-F961 WeakPolarHBondContact O-CB 3.45Å; E957-F961 PolarHBondContact O-N 3.35Å |
| 958 | Y | 84.4 | Confident | 80.7 | Confident | 134 Ų | 134 | 113.5 Ų | 113.5 | 53% | 0.525 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 176.7 | -178.2 | -103 | 0 | 0 | 0 | 112.7 | I954 E955 K956 E960 F961 Q962 | I954-Y958 WeakPolarHBondContact O-CB 3.44Å; I954-Y958 PolarHBondContact O-N 3.08Å; E955-Y958 PolarHBondContact O-N 3.09Å; K956-Y958 VanDerWaalsContact C-N 3.28Å; K956-Y958 PolarHBondContact O-N 3.37Å; Y958-E960 VanDerWaalsContact C-N 3.33Å; Y958-F961 PolarHBondContact O-N 3.05Å; Y958-Q962 HydrophobicContact CD1-CG 4.36Å; Y958-Q962 VanDerWaalsContact CE1-CD 3.47Å; Y958-Q962 HydrophobicContact CE1-CG 3.92Å; Y958-Q962 WeakPolarHBondContact O-CG 3.42Å; Y958-Q962 PolarHBondContact O-N 3.46Å; Y958-Q962 PolarHBondContact OH-NE2 3.05Å; Y958-Q962 VanDerWaalsContact OH-NE2 3.11Å |
| 959 | Q | 84.2 | Confident | 79.4 | Confident | 101 Ų | 101 | 112.1 Ų | 112.1 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 174.4 | -74.3 | -176.3 | 1.2 | 0 | 0 | 111.2 | E955 K956 F961 Q962 H963 | E955-Q959 WeakPolarHBondContact O-CG 3.36Å; E955-Q959 PolarHBondContact O-N 3.2Å; K956-Q959 PolarHBondContact O-N 3.05Å; Q959-F961 VanDerWaalsContact C-N 3.34Å; Q959-F961 PolarHBondContact O-N 3.28Å; Q959-Q962 WeakPolarHBondContact O-CB 3.48Å; Q959-Q962 PolarHBondContact O-N 3.19Å; Q959-H963 PolarHBondContact O-CD2 3.09Å; Q959-H963 PolarHBondContact O-N 3.29Å |
| 960 | E | 81.9 | Confident | 78 | Confident | 128 Ų | 128 | 109.9 Ų | 109.9 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -38.7 | 178.3 | -153.9 | 141.5 | -148.4 | 0 | 0 | 111.5 | K956 E957 Y958 H963 Q964 | K956-E960 WeakPolarHBondContact O-CB 3.37Å; K956-E960 PolarHBondContact O-N 3.49Å; E957-E960 PolarHBondContact O-N 2.76Å; Y958-E960 VanDerWaalsContact C-N 3.33Å; E960-H963 PolarHBondContact O-N 3.25Å; E960-Q964 WeakPolarHBondContact O-CG 3.46Å; E960-Q964 PolarHBondContact O-N 2.87Å |
| 961 | F | 84.2 | Confident | 76.5 | Confident | 112 Ų | 112 | 108.5 Ų | 108.5 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 170.9 | 179.4 | -106.2 | 0 | 0 | 0 | 112.7 | E957 Y958 Q959 H963 Q964 I965 | E957-F961 WeakPolarHBondContact O-CB 3.45Å; E957-F961 PolarHBondContact O-N 3.35Å; Y958-F961 PolarHBondContact O-N 3.05Å; Q959-F961 VanDerWaalsContact C-N 3.34Å; Q959-F961 PolarHBondContact O-N 3.28Å; F961-H963 PolarHBondContact O-N 3.1Å; F961-Q964 PolarHBondContact O-N 3.4Å; F961-I965 HydrophobicContact CD1-CD1 4.06Å; F961-I965 HydrophobicContact CE1-CD1 3.37Å; F961-I965 HydrophobicContact CE1-CG1 4.19Å; F961-I965 HydrophobicContact CE2-CD1 4.29Å; F961-I965 HydrophobicContact CE2-CG1 4.43Å; F961-I965 HydrophobicContact CZ-CD1 3.52Å; F961-I965 HydrophobicContact CZ-CG1 4.13Å; F961-I965 PolarHBondContact O-N 3.28Å |
| 962 | Q | 77.6 | Confident | 75 | Confident | 66 Ų | 66 | 109.3 Ų | 109.3 | 31% | 0.308 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 173.9 | -78.2 | -169.8 | -26.6 | 0 | 0 | 111.4 | Y958 Q959 Q964 I965 Y966 | Y958-Q962 HydrophobicContact CD1-CG 4.36Å; Y958-Q962 VanDerWaalsContact CE1-CD 3.47Å; Y958-Q962 HydrophobicContact CE1-CG 3.92Å; Y958-Q962 WeakPolarHBondContact O-CG 3.42Å; Y958-Q962 PolarHBondContact O-N 3.46Å; Y958-Q962 PolarHBondContact OH-NE2 3.05Å; Y958-Q962 VanDerWaalsContact OH-NE2 3.11Å; Q959-Q962 WeakPolarHBondContact O-CB 3.48Å; Q959-Q962 PolarHBondContact O-N 3.19Å; Q962-Q964 VanDerWaalsContact C-N 3.31Å; Q962-Q964 PolarHBondContact O-N 3.23Å; Q962-I965 PolarHBondContact O-N 3.41Å; Q962-Y966 HydrophobicContact CB-CD2 4.44Å; Q962-Y966 HydrophobicContact CB-CE2 4.26Å; Q962-Y966 WeakPolarHBondContact O-CD2 3.49Å; Q962-Y966 PolarHBondContact O-N 3.46Å |
| 963 | H | 75.3 | Confident | 73.1 | Confident | 134 Ų | 134 | 106.7 Ų | 106.7 | 62% | 0.62 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.6 | -40.8 | 176.2 | -78.9 | -63.9 | 0 | 0 | 0 | 112.1 | Q959 E960 F961 Y966 A967 | Q959-H963 PolarHBondContact O-CD2 3.09Å; Q959-H963 PolarHBondContact O-N 3.29Å; E960-H963 PolarHBondContact O-N 3.25Å; F961-H963 PolarHBondContact O-N 3.1Å; H963-Y966 PolarHBondContact O-N 3.47Å; H963-A967 VanDerWaalsContact O-CB 3.26Å; H963-A967 WeakPolarHBondContact O-CB 3.21Å; H963-A967 PolarHBondContact O-N 3.13Å |
| 964 | Q | 76.4 | Confident | 71.3 | Confident | 113 Ų | 113 | 108.7 Ų | 108.7 | 53% | 0.528 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.7 | -41.2 | 174.4 | -74.9 | 178.5 | 13.8 | 0 | 0 | 112.8 | E960 F961 Q962 A967 N968 | E960-Q964 WeakPolarHBondContact O-CG 3.46Å; E960-Q964 PolarHBondContact O-N 2.87Å; F961-Q964 PolarHBondContact O-N 3.4Å; Q962-Q964 VanDerWaalsContact C-N 3.31Å; Q962-Q964 PolarHBondContact O-N 3.23Å; Q964-A967 PolarHBondContact O-N 3.19Å; Q964-N968 VanDerWaalsContact O-CB 3.3Å; Q964-N968 WeakPolarHBondContact O-CB 3.39Å; Q964-N968 PolarHBondContact O-N 3.43Å; Q964-N968 PolarHBondContact O-ND2 3.19Å; Q964-N968 VanDerWaalsContact O-ND2 3.15Å |
| 965 | I | 73.1 | Confident | 69.7 | Low | 75 Ų | 75 | 109.8 Ų | 109.8 | 39% | 0.385 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.3 | -47.4 | 175.1 | -72.9 | -173.6 | 0 | 0 | 0 | 110.2 | F961 Q962 N968 S969 | F961-I965 HydrophobicContact CD1-CD1 4.06Å; F961-I965 HydrophobicContact CE1-CD1 3.37Å; F961-I965 HydrophobicContact CE1-CG1 4.19Å; F961-I965 HydrophobicContact CE2-CD1 4.29Å; F961-I965 HydrophobicContact CE2-CG1 4.43Å; F961-I965 HydrophobicContact CZ-CD1 3.52Å; F961-I965 HydrophobicContact CZ-CG1 4.13Å; F961-I965 PolarHBondContact O-N 3.28Å; Q962-I965 PolarHBondContact O-N 3.41Å; I965-N968 PolarHBondContact O-N 3.35Å; I965-S969 WeakPolarHBondContact O-CB 3.39Å; I965-S969 PolarHBondContact O-N 3.2Å; I965-S969 PolarHBondContact O-OG 3.44Å |
| 966 | Y | 70.4 | Confident | 67.8 | Low | 171 Ų | 171 | 108.3 Ų | 108.3 | 67% | 0.671 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.1 | -35.8 | -178.6 | -70.3 | -56.7 | 0 | 0 | 0 | 112.8 | Q962 H963 | Q962-Y966 HydrophobicContact CB-CD2 4.44Å; Q962-Y966 HydrophobicContact CB-CE2 4.26Å; Q962-Y966 WeakPolarHBondContact O-CD2 3.49Å; Q962-Y966 PolarHBondContact O-N 3.46Å; H963-Y966 PolarHBondContact O-N 3.47Å |
| 967 | A | 71.3 | Confident | 66.4 | Low | 85 Ų | 85 | 104.6 Ų | 104.6 | 70% | 0.702 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71 | -35.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H963 Q964 | H963-A967 VanDerWaalsContact O-CB 3.26Å; H963-A967 WeakPolarHBondContact O-CB 3.21Å; H963-A967 PolarHBondContact O-N 3.13Å; Q964-A967 PolarHBondContact O-N 3.19Å |
| 968 | N | 68.3 | Low | 65 | Low | 131 Ų | 131 | 107.7 Ų | 107.7 | 70% | 0.701 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -92.7 | -8.7 | -178.3 | -66.3 | -36.8 | 0 | 0 | 0 | 114 | Q964 I965 P970 | Q964-N968 VanDerWaalsContact O-CB 3.3Å; Q964-N968 WeakPolarHBondContact O-CB 3.39Å; Q964-N968 PolarHBondContact O-N 3.43Å; Q964-N968 PolarHBondContact O-ND2 3.19Å; Q964-N968 VanDerWaalsContact O-ND2 3.15Å; I965-N968 PolarHBondContact O-N 3.35Å; N968-P970 WeakPolarHBondContact O-CD 3.34Å |
| 969 | S | 52.4 | Low | 63.7 | Low | 59 Ų | 59 | 107.9 Ų | 107.9 | 41% | 0.413 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -86.4 | 120.9 | 179.6 | -66.5 | 0 | 0 | 0 | 0 | 110.7 | I965 | I965-S969 WeakPolarHBondContact O-CB 3.39Å; I965-S969 PolarHBondContact O-N 3.2Å; I965-S969 PolarHBondContact O-OG 3.44Å |
| 970 | P | 54 | Low | 62 | Low | 69 Ų | 69 | 107 Ų | 107 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -55 | 144 | 172.4 | -20.3 | 27.9 | 0 | 0 | 0 | 110.6 | N968 V972 Q975 | N968-P970 WeakPolarHBondContact O-CD 3.34Å; P970-V972 PolarHBondContact O-N 3.35Å; P970-Q975 HydrophobicContact CB-CG 4.48Å; P970-Q975 PolarHBondContact O-NE2 3.22Å |
| 971 | P | 55.7 | Low | 60.5 | Low | 93 Ų | 93 | 107.7 Ų | 107.7 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 134.4 | -180 | -15.7 | 20.1 | 0 | 0 | 0 | 110.4 | S973 T974 | P971-S973 PolarHBondContact O-N 3.09Å; P971-T974 PolarHBondContact O-N 3.42Å; P971-T974 PolarHBondContact O-OG1 3.26Å |
| 972 | V | 50.7 | Low | 59 | Low | 115 Ų | 115 | 108.9 Ų | 108.9 | 70% | 0.697 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -50.4 | -27.5 | -178 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | P970 T974 Q975 L976 | P970-V972 PolarHBondContact O-N 3.35Å; V972-T974 VanDerWaalsContact C-N 3.27Å; V972-T974 PolarHBondContact O-N 3Å; V972-Q975 PolarHBondContact O-N 3.05Å; V972-L976 HydrophobicContact CG1-CD1 4.41Å |
| 973 | S | 48.9 | Very low | 57.7 | Low | 108 Ų | 108 | 113.4 Ų | 113.4 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.7 | -22.6 | 176.6 | -146.9 | 0 | 0 | 0 | 0 | 114.9 | P971 | P971-S973 PolarHBondContact O-N 3.09Å |
| 974 | T | 49.6 | Very low | 56.5 | Low | 101 Ų | 101 | 112.1 Ų | 112.1 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -94.2 | -7.9 | 177.3 | 57.6 | 0 | 0 | 0 | 0 | 113.7 | P971 V972 | P971-T974 PolarHBondContact O-N 3.42Å; P971-T974 PolarHBondContact O-OG1 3.26Å; V972-T974 VanDerWaalsContact C-N 3.27Å; V972-T974 PolarHBondContact O-N 3Å |
| 975 | Q | 51.3 | Low | 55 | Low | 122 Ų | 122 | 112 Ų | 112 | 57% | 0.57 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -101 | -10.6 | -178.7 | -66.1 | -173.4 | 32.9 | 0 | 0 | 114 | P970 V972 P977 | P970-Q975 HydrophobicContact CB-CG 4.48Å; P970-Q975 PolarHBondContact O-NE2 3.22Å; V972-Q975 PolarHBondContact O-N 3.05Å; Q975-P977 VanDerWaalsContact O-CD 3.32Å; Q975-P977 WeakPolarHBondContact O-CD 3.39Å |
| 976 | L | 44.1 | Very low | 53.3 | Low | 92 Ų | 92 | 116.3 Ų | 116.3 | 48% | 0.482 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -80.4 | 118.8 | 177.1 | -75.3 | 163.2 | 0 | 0 | 0 | 109.9 | V972 K978 I980 | V972-L976 HydrophobicContact CG1-CD1 4.41Å; L976-K978 PolarHBondContact O-N 3.46Å; L976-I980 HydrophobicContact CD2-CD1 4.19Å; L976-I980 HydrophobicContact CD2-CG2 4.45Å |
| 977 | P | 55 | Low | 51.6 | Low | 72 Ų | 72 | 113.7 Ų | 113.7 | 47% | 0.468 | 63% | 0.625 | S | S | . | * | trans | -55.3 | 137.7 | 173.3 | -22.4 | 33.1 | 0 | 0 | 0 | 110.2 | Q975 E979 I980 | Q975-P977 VanDerWaalsContact O-CD 3.32Å; Q975-P977 WeakPolarHBondContact O-CD 3.39Å; P977-E979 PolarHBondContact O-N 3.07Å; P977-I980 PolarHBondContact O-N 3.35Å | ||
| 978 | K | 57.3 | Low | 49.9 | Very low | 180 Ų | 180 | 115.1 Ų | 115.1 | 78% | 0.783 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -50 | -30.3 | -175.6 | -75.8 | -176.5 | 175.9 | -179.3 | 0 | 113.6 | L976 I980 H981 E982 | L976-K978 PolarHBondContact O-N 3.46Å; K978-I980 VanDerWaalsContact C-N 3.3Å; K978-I980 PolarHBondContact O-N 2.96Å; K978-H981 PolarHBondContact O-N 3.49Å; K978-H981 VanDerWaalsContact O-N 3.13Å; K978-E982 PolarHBondContact O-N 3.42Å |
| 979 | E | 55.8 | Low | 48.4 | Very low | 139 Ų | 139 | 118.2 Ų | 118.2 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.1 | -29.3 | 178.4 | -70.3 | 156 | 166.2 | 0 | 0 | 114.1 | P977 K983 | P977-E979 PolarHBondContact O-N 3.07Å; E979-K983 WeakPolarHBondContact O-CB 3.35Å; E979-K983 WeakPolarHBondContact O-CG 3.47Å; E979-K983 PolarHBondContact O-N 3.49Å; E979-K983 VanDerWaalsContact O-N 3.14Å |
| 980 | I | 49.8 | Very low | 47.6 | Very low | 83 Ų | 83 | 119 Ų | 119 | 43% | 0.426 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -76.4 | -37 | 175.3 | -57.2 | -177.1 | 0 | 0 | 0 | 109.7 | L976 P977 K978 K983 V984 | L976-I980 HydrophobicContact CD2-CD1 4.19Å; L976-I980 HydrophobicContact CD2-CG2 4.45Å; P977-I980 PolarHBondContact O-N 3.35Å; K978-I980 VanDerWaalsContact C-N 3.3Å; K978-I980 PolarHBondContact O-N 2.96Å; I980-K983 PolarHBondContact O-N 3.24Å; I980-V984 HydrophobicContact CG2-CG2 4.23Å; I980-V984 WeakPolarHBondContact O-CB 3.36Å; I980-V984 VanDerWaalsContact O-CG2 3.25Å; I980-V984 WeakPolarHBondContact O-CG2 3.42Å; I980-V984 PolarHBondContact O-N 3.12Å |
| 981 | H | 50.3 | Low | 47.2 | Very low | 142 Ų | 142 | 120.2 Ų | 120.2 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.4 | -42.3 | 177.9 | -150.5 | 42.9 | 0 | 0 | 0 | 111.2 | K978 V984 T985 | K978-H981 PolarHBondContact O-N 3.49Å; K978-H981 VanDerWaalsContact O-N 3.13Å; H981-V984 PolarHBondContact O-N 3.12Å; H981-T985 PolarHBondContact O-N 3.04Å; H981-T985 PolarHBondContact O-OG1 3.33Å; H981-T985 VanDerWaalsContact O-OG1 3.05Å |
| 982 | E | 52.4 | Low | 46.5 | Very low | 137 Ų | 137 | 119.2 Ų | 119.2 | 64% | 0.64 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.5 | -38.4 | 176.1 | -77.5 | -179.7 | 167.5 | 0 | 0 | 113.1 | K978 T985 Q986 | K978-E982 PolarHBondContact O-N 3.42Å; E982-T985 PolarHBondContact O-N 3.46Å; E982-T985 PolarHBondContact O-OG1 3.4Å; E982-Q986 PolarHBondContact O-N 2.89Å |
| 983 | K | 50.6 | Low | 46.2 | Very low | 161 Ų | 161 | 118.2 Ų | 118.2 | 70% | 0.7 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.6 | -30.2 | 178.5 | -77.8 | -176.8 | 178.7 | 178.2 | 0 | 113.9 | E979 I980 T985 Q986 | E979-K983 WeakPolarHBondContact O-CB 3.35Å; E979-K983 WeakPolarHBondContact O-CG 3.47Å; E979-K983 PolarHBondContact O-N 3.49Å; E979-K983 VanDerWaalsContact O-N 3.14Å; I980-K983 PolarHBondContact O-N 3.24Å; K983-T985 VanDerWaalsContact C-N 3.31Å; K983-Q986 PolarHBondContact O-N 3.19Å |
| 984 | V | 48.5 | Very low | 46 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.2 | -29.6 | 175.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | I980 H981 | I980-V984 HydrophobicContact CG2-CG2 4.23Å; I980-V984 WeakPolarHBondContact O-CB 3.36Å; I980-V984 VanDerWaalsContact O-CG2 3.25Å; I980-V984 WeakPolarHBondContact O-CG2 3.42Å; I980-V984 PolarHBondContact O-N 3.12Å; H981-V984 PolarHBondContact O-N 3.12Å |
| 985 | T | 44.8 | Very low | 45.7 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.1 | -9.1 | 173.2 | 36.4 | 0 | 0 | 0 | 0 | 115.3 | H981 E982 K983 | H981-T985 PolarHBondContact O-N 3.04Å; H981-T985 PolarHBondContact O-OG1 3.33Å; H981-T985 VanDerWaalsContact O-OG1 3.05Å; E982-T985 PolarHBondContact O-N 3.46Å; E982-T985 PolarHBondContact O-OG1 3.4Å; K983-T985 VanDerWaalsContact C-N 3.31Å |
| 986 | Q | 38.7 | Very low | 45.2 | Very low | 164 Ų | 164 | 119.1 Ų | 119.1 | 77% | 0.766 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | 41.1 | -178.7 | -67.2 | -164 | 14.2 | 0 | 0 | 114.3 | E982 K983 P988 | E982-Q986 PolarHBondContact O-N 2.89Å; K983-Q986 PolarHBondContact O-N 3.19Å; Q986-P988 VanDerWaalsContact O-CD 3.24Å; Q986-P988 WeakPolarHBondContact O-CD 3.47Å |
| 987 | T | 33.1 | Very low | 45.1 | Very low | 117 Ų | 117 | 120 Ų | 120 | 72% | 0.718 | 64% | 0.639 | S | S | * | * | trans | -87.6 | 108 | 161 | -6.7 | 0 | 0 | 0 | 0 | 109.4 | K989 | T987-K989 PolarHBondContact O-N 2.72Š| ||
| 988 | P | 36.5 | Very low | 44.5 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 74% | 0.74 | 65% | 0.647 | S | S | * | * | trans | -67.2 | 128.4 | -177.4 | 27 | -32.5 | 0 | 0 | 0 | 109.6 | Q986 S990 | Q986-P988 VanDerWaalsContact O-CD 3.24Å; Q986-P988 WeakPolarHBondContact O-CD 3.47Å; P988-S990 PolarHBondContact O-N 3.4Å | ||
| 989 | K | 37.4 | Very low | 43.9 | Very low | 197 Ų | 197 | 119.3 Ų | 119.3 | 86% | 0.857 | 64% | 0.64 | S | S | * | * | trans | -52.9 | 106.2 | 172.1 | -66.8 | 177.4 | -179.9 | 176.7 | 0 | 108.2 | T987 P991 | T987-K989 PolarHBondContact O-N 2.72Å; K989-P991 WeakPolarHBondContact O-CD 3.42Å | ||
| 990 | S | 34.4 | Very low | 42.9 | Very low | 74 Ų | 74 | 119.2 Ų | 119.2 | 52% | 0.517 | 64% | 0.643 | S | S | . | * | trans | -60.9 | 121 | -179.8 | 47.9 | 0 | 0 | 0 | 0 | 109.4 | P988 A992 V993 | P988-S990 PolarHBondContact O-N 3.4Å; S990-A992 PolarHBondContact O-N 3.22Å; S990-V993 PolarHBondContact O-N 2.97Å | ||
| 991 | P | 46.2 | Very low | 42.6 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 62% | 0.617 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -60.1 | -10.2 | -176.7 | -25.7 | 34.4 | 0 | 0 | 0 | 115.1 | K989 V993 L995 | K989-P991 WeakPolarHBondContact O-CD 3.42Å; P991-V993 VanDerWaalsContact C-N 3.29Å; P991-V993 PolarHBondContact O-N 3.39Å; P991-L995 PolarHBondContact O-N 3.01Å |
| 992 | A | 41.4 | Very low | 41.9 | Very low | 73 Ų | 73 | 117 Ų | 117 | 60% | 0.603 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.8 | -21.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | S990 | S990-A992 PolarHBondContact O-N 3.22Å |
| 993 | V | 43.7 | Very low | 41.1 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 56% | 0.564 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -90.4 | -34.7 | 177.1 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | S990 P991 K996 L997 | S990-V993 PolarHBondContact O-N 2.97Å; P991-V993 VanDerWaalsContact C-N 3.29Å; P991-V993 PolarHBondContact O-N 3.39Å; V993-K996 PolarHBondContact O-N 3.36Å; V993-L997 PolarHBondContact O-N 2.79Å |
| 994 | S | 44.2 | Very low | 40.4 | Very low | 69 Ų | 69 | 119.5 Ų | 119.5 | 48% | 0.483 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -69.1 | -39.1 | 177.9 | -53.1 | 0 | 0 | 0 | 0 | 112.7 | K996 L997 D998 | S994-K996 VanDerWaalsContact C-N 3.27Å; S994-K996 PolarHBondContact O-N 3.08Å; S994-L997 PolarHBondContact O-N 3.18Å; S994-D998 PolarHBondContact O-N 3.36Å |
| 995 | L | 43 | Very low | 39.5 | Very low | 110 Ų | 110 | 124 Ų | 124 | 58% | 0.576 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.7 | -19.1 | 178.1 | -84.5 | 162.6 | 0 | 0 | 0 | 114.3 | P991 N999 | P991-L995 PolarHBondContact O-N 3.01Å; L995-N999 WeakPolarHBondContact O-CB 3.37Å; L995-N999 PolarHBondContact O-ND2 3.4Å |
| 996 | K | 41.9 | Very low | 38.9 | Very low | 171 Ų | 171 | 124.7 Ų | 124.7 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -85.2 | -21.5 | 173.6 | -94 | -176.3 | 175.3 | 178.8 | 0 | 113.3 | V993 S994 | V993-K996 PolarHBondContact O-N 3.36Å; S994-K996 VanDerWaalsContact C-N 3.27Å; S994-K996 PolarHBondContact O-N 3.08Å |
| 997 | L | 41.2 | Very low | 38.4 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 58% | 0.576 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -87.6 | -37.2 | 174.8 | -86.9 | 153.9 | 0 | 0 | 0 | 111.9 | V993 S994 L1000 V1001 | V993-L997 PolarHBondContact O-N 2.79Å; S994-L997 PolarHBondContact O-N 3.18Å; L997-L1000 PolarHBondContact O-N 3.26Å; L997-V1001 PolarHBondContact O-N 3.33Å |
| 998 | D | 43.6 | Very low | 38.2 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.2 | -33.2 | 177.7 | -76.4 | -20.6 | 0 | 0 | 0 | 113.1 | S994 L1000 V1001 G1002 | S994-D998 PolarHBondContact O-N 3.36Å; D998-L1000 PolarHBondContact O-N 3.16Å; D998-V1001 PolarHBondContact O-N 3.44Å; D998-G1002 PolarHBondContact O-N 3.35Å; D998-G1002 VanDerWaalsContact O-N 3.15Å |
| 999 | N | 44.3 | Very low | 37.7 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -73.1 | -15 | 174.6 | -78.5 | -46.2 | 0 | 0 | 0 | 113.9 | L995 | L995-N999 WeakPolarHBondContact O-CB 3.37Å; L995-N999 PolarHBondContact O-ND2 3.4Å |
| 1000 | L | 35.8 | Very low | 37.4 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -93.7 | -18.1 | 178 | -143 | 79.4 | 0 | 0 | 0 | 113.1 | L997 D998 | L997-L1000 PolarHBondContact O-N 3.26Å; D998-L1000 PolarHBondContact O-N 3.16Å |
| 1001 | V | 41.7 | Very low | 37.1 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -97.4 | -26.5 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | L997 D998 R1003 | L997-V1001 PolarHBondContact O-N 3.33Å; D998-V1001 PolarHBondContact O-N 3.44Å; V1001-R1003 PolarHBondContact O-N 3.08Å |
| 1002 | G | 37.1 | Very low | 36.6 | Very low | 65 Ų | 65 | 133.2 Ų | 133.2 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -9.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | D998 | D998-G1002 PolarHBondContact O-N 3.35Å; D998-G1002 VanDerWaalsContact O-N 3.15Å |
| 1003 | R | 35.4 | Very low | 35.9 | Very low | 227 Ų | 227 | 137.8 Ų | 137.8 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 7.2 | -171.8 | -116.9 | 179.9 | -178.4 | 169.1 | 1 | 116.9 | V1001 | V1001-R1003 PolarHBondContact O-N 3.08Š|
| 1004 | T | 35.2 | Very low | 35 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -109.9 | 5.1 | 178.5 | -31.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1005 | F | 31 | Very low | 34.2 | Very low | 199 Ų | 199 | 145.5 Ų | 145.5 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -111.6 | 6.4 | 179.3 | -136.2 | -96.4 | 0 | 0 | 0 | 115.9 | ||
| 1006 | V | 30.6 | Very low | 33.6 | Very low | 128 Ų | 128 | 146 Ų | 146 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -132.1 | 116.1 | 172.6 | -174.1 | 0 | 0 | 0 | 0 | 109 | ||
| 1007 | Q | 29.3 | Very low | 32.9 | Very low | 168 Ų | 168 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 87.5 | 66 | 160.2 | -151.6 | 172 | 18.5 | 0 | 0 | 118 | ||
| 1008 | F | 27.4 | Very low | 32.3 | Very low | 213 Ų | 213 | 148 Ų | 148 | 93% | 0.934 | 78% | 0.783 | S | S | * | * | trans | -148.3 | 60.4 | 143.7 | -94.9 | -74.1 | 0 | 0 | 0 | 111.1 | ||||
| 1009 | K | 26.5 | Very low | 31.7 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -99.6 | 98.7 | 145.1 | -105.9 | -177.9 | 176.8 | 177.2 | 0 | 104.9 | ||||
| 1010 | T | 31.7 | Very low | 31 | Very low | 125 Ų | 125 | 149 Ų | 149 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 158.3 | 123.8 | 143.7 | 45.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1011 | S | 27.3 | Very low | 30.9 | Very low | 123 Ų | 123 | 152 Ų | 152 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 75 | 116.2 | 151.9 | -99.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1012 | P | 36.3 | Very low | 30.3 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | trans | -90.5 | 139.9 | 169.7 | 35.7 | -28.4 | 0 | 0 | 0 | 111.3 | ||||
| 1013 | Q | 25.9 | Very low | 29.9 | Very low | 169 Ų | 169 | 154.2 Ų | 154.2 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | 163.9 | 130.6 | 133.1 | -92.4 | 167 | -0.9 | 0 | 0 | 110.9 | ||||
| 1014 | N | 26.6 | Very low | 29.8 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | trans | 62 | 103.4 | 148.7 | -56.1 | -15.3 | 0 | 0 | 0 | 118.2 | ||||
| 1015 | M | 27.1 | Very low | 29.6 | Very low | 180 Ų | 180 | 152.3 Ų | 152.3 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -154.7 | 99.6 | 130.9 | -84.6 | -120.5 | -92.9 | 0 | 0 | 110.1 | ||||
| 1016 | T | 28.8 | Very low | 29.7 | Very low | 121 Ų | 121 | 150 Ų | 150 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 28.6 | 108 | 132.7 | 44.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1017 | E | 27.5 | Very low | 29.7 | Very low | 192 Ų | 192 | 150.7 Ų | 150.7 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -1.2 | 119.2 | 142.7 | -60.3 | 178.7 | 162.6 | 0 | 0 | 118 | ||||
| 1018 | T | 29.8 | Very low | 29.8 | Very low | 131 Ų | 131 | 152.7 Ų | 152.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -126.2 | 123.6 | 141.8 | 34.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1019 | P | 29.9 | Very low | 30.2 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -89.7 | 112.9 | -172.4 | 32.8 | -31 | 0 | 0 | 0 | 111.2 | ||||
| 1020 | T | 30.6 | Very low | 30.9 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -116.3 | 64.8 | 165.4 | 39.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1021 | K | 32.4 | Very low | 31 | Very low | 200 Ų | 200 | 144.1 Ų | 144.1 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -95.1 | 98.6 | 160.5 | -77.4 | -174.9 | 179 | 176 | 0 | 108.4 | P1023 | K1021-P1023 WeakPolarHBondContact O-CD 3.36Š| ||
| 1022 | T | 29 | Very low | 31.4 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -67.8 | 115.1 | 162.9 | -19.8 | 0 | 0 | 0 | 0 | 107.6 | K1024 | T1022-K1024 PolarHBondContact O-N 3.02Å; T1022-K1024 VanDerWaalsContact O-N 3.14Å | ||
| 1023 | P | 29.7 | Very low | 31.3 | Very low | 93 Ų | 93 | 142.6 Ų | 142.6 | 60% | 0.604 | 80% | 0.795 | S | S | * | * | trans | -74.9 | 106.9 | -172.3 | 28.8 | -32 | 0 | 0 | 0 | 110 | K1021 S1025 | K1021-P1023 WeakPolarHBondContact O-CD 3.36Å; P1023-S1025 PolarHBondContact O-N 2.98Å | ||
| 1024 | K | 33.6 | Very low | 31.8 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | -75.3 | 51.7 | 167.4 | -72.9 | -175.6 | 175.9 | 178.4 | 0 | 111.4 | T1022 | T1022-K1024 PolarHBondContact O-N 3.02Å; T1022-K1024 VanDerWaalsContact O-N 3.14Å | ||
| 1025 | S | 30.8 | Very low | 32.3 | Very low | 95 Ų | 95 | 143 Ų | 143 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -130.4 | 41.1 | 176.2 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | P1023 | P1023-S1025 PolarHBondContact O-N 2.98Š| ||
| 1026 | I | 32.1 | Very low | 32.6 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -143 | 66.7 | 164.6 | -48.1 | 175.7 | 0 | 0 | 0 | 108.6 | ||
| 1027 | L | 31.8 | Very low | 32.9 | Very low | 143 Ų | 143 | 150.6 Ų | 150.6 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -171 | 47.1 | 146.8 | -131.8 | 80.1 | 0 | 0 | 0 | 111.7 | Q1029 | L1027-Q1029 HydrophobicContact CG-CG 4.18Å; L1027-Q1029 PolarHBondContact O-N 3.16Å | ||
| 1028 | K | 32.1 | Very low | 33.4 | Very low | 210 Ų | 210 | 151.8 Ų | 151.8 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -82.9 | 84.6 | 151.4 | -86.1 | -172.5 | 175.9 | -178.8 | 0 | 105.8 | P1030 | K1028-P1030 VanDerWaalsContact O-CD 3.24Å; K1028-P1030 WeakPolarHBondContact O-CD 3.21Å | ||
| 1029 | Q | 35.6 | Very low | 33.7 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 71% | 0.71 | 79% | 0.792 | S | S | * | * | trans | -60.5 | 117.4 | 167.9 | -70.6 | -159.5 | -31.1 | 0 | 0 | 107.8 | L1027 G1031 | L1027-Q1029 HydrophobicContact CG-CG 4.18Å; L1027-Q1029 PolarHBondContact O-N 3.16Å; Q1029-G1031 VanDerWaalsContact C-N 3.29Å; Q1029-G1031 PolarHBondContact O-N 3.27Å | ||
| 1030 | P | 40 | Very low | 33.9 | Very low | 136 Ų | 136 | 153.8 Ų | 153.8 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -78.3 | 86.3 | 174.6 | 31.3 | -27.3 | 0 | 0 | 0 | 107.1 | K1028 | K1028-P1030 VanDerWaalsContact O-CD 3.24Å; K1028-P1030 WeakPolarHBondContact O-CD 3.21Å |
| 1031 | G | 34.3 | Very low | 34.1 | Very low | 73 Ų | 73 | 155.9 Ų | 155.9 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -156.1 | -3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 118 | Q1029 | Q1029-G1031 VanDerWaalsContact C-N 3.29Å; Q1029-G1031 PolarHBondContact O-N 3.27Å | ||
| 1032 | S | 35.5 | Very low | 34.2 | Very low | 110 Ų | 110 | 151 Ų | 151 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -129.5 | 15.8 | -175.1 | 56.5 | 0 | 0 | 0 | 0 | 115.5 | T1034 | S1032-T1034 PolarHBondContact O-N 3.41Š| ||
| 1033 | A | 34.5 | Very low | 34.4 | Very low | 89 Ų | 89 | 149.7 Ų | 149.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -90 | 88.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | K1035 | A1033-K1035 PolarHBondContact O-N 3.27Š|
| 1034 | T | 35.4 | Very low | 34.8 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -53 | 83.8 | 170.3 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | S1032 R1036 | S1032-T1034 PolarHBondContact O-N 3.41Å; T1034-R1036 VanDerWaalsContact C-N 3.29Å; T1034-R1036 PolarHBondContact O-N 2.94Å | ||
| 1035 | K | 36.9 | Very low | 34.8 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -64.2 | 97.2 | 166.7 | -81.6 | -178.2 | 176.8 | 179.3 | 0 | 105.5 | A1033 R1037 | A1033-K1035 PolarHBondContact O-N 3.27Å; K1035-R1037 PolarHBondContact O-N 3.27Å | ||
| 1036 | R | 33.8 | Very low | 35 | Very low | 231 Ų | 231 | 154 Ų | 154 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -50.1 | 94.8 | 159 | -72.7 | -179 | 165.3 | -155.6 | -3.7 | 106.5 | T1034 R1038 | T1034-R1036 VanDerWaalsContact C-N 3.29Å; T1034-R1036 PolarHBondContact O-N 2.94Å; R1036-R1038 VanDerWaalsContact C-N 3.34Å; R1036-R1038 PolarHBondContact O-N 3.45Å | ||
| 1037 | R | 35.1 | Very low | 35 | Very low | 230 Ų | 230 | 155.6 Ų | 155.6 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -58.6 | 104.9 | 166.5 | -88.3 | -179.8 | 168.5 | -177 | -3.8 | 104.8 | K1035 V1039 | K1035-R1037 PolarHBondContact O-N 3.27Å; R1037-V1039 VanDerWaalsContact C-N 3.29Å; R1037-V1039 PolarHBondContact O-N 3.21Å | ||
| 1038 | R | 37.9 | Very low | 35 | Very low | 217 Ų | 217 | 153.8 Ų | 153.8 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | trans | -62.1 | 102.8 | 162 | -71.5 | -175.7 | -174.2 | -169.1 | 0.9 | 104.9 | R1036 F1040 | R1036-R1038 VanDerWaalsContact C-N 3.34Å; R1036-R1038 PolarHBondContact O-N 3.45Å; R1038-F1040 VanDerWaalsContact C-N 3.34Å; R1038-F1040 PolarHBondContact O-N 3.17Å | ||
| 1039 | V | 37 | Very low | 34.9 | Very low | 105 Ų | 105 | 152.1 Ų | 152.1 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -66.2 | 103.5 | 166.9 | 178.1 | 0 | 0 | 0 | 0 | 104.3 | R1037 F1041 | R1037-V1039 VanDerWaalsContact C-N 3.29Å; R1037-V1039 PolarHBondContact O-N 3.21Å; V1039-F1041 PolarHBondContact O-N 3Å; V1039-F1041 VanDerWaalsContact O-N 3.08Å | ||
| 1040 | F | 34.3 | Very low | 34.7 | Very low | 190 Ų | 190 | 150 Ų | 150 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | -65.7 | 105.2 | 169.5 | -77.9 | -88.4 | 0 | 0 | 0 | 106.2 | R1038 A1042 | R1038-F1040 VanDerWaalsContact C-N 3.34Å; R1038-F1040 PolarHBondContact O-N 3.17Å; F1040-A1042 PolarHBondContact O-N 3.11Å | ||
| 1041 | F | 34.1 | Very low | 34.4 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 79% | 0.789 | 78% | 0.784 | S | S | * | * | trans | -66.8 | 115.4 | 163.1 | -70.4 | -80.9 | 0 | 0 | 0 | 106.3 | V1039 S1043 | V1039-F1041 PolarHBondContact O-N 3Å; V1039-F1041 VanDerWaalsContact O-N 3.08Å; F1041-S1043 PolarHBondContact O-N 3.25Å | ||
| 1042 | A | 34.1 | Very low | 34.4 | Very low | 99 Ų | 99 | 152.9 Ų | 152.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -61.8 | 107.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | F1040 | F1040-A1042 PolarHBondContact O-N 3.11Š| ||
| 1043 | S | 32.9 | Very low | 34.5 | Very low | 103 Ų | 103 | 153.4 Ų | 153.4 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -66.8 | 134.7 | 168.2 | -61.3 | 0 | 0 | 0 | 0 | 108.2 | F1041 | F1041-S1043 PolarHBondContact O-N 3.25Š| ||
| 1044 | P | 39 | Very low | 34.4 | Very low | 109 Ų | 109 | 157.8 Ų | 157.8 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -65.4 | 137.7 | -175.8 | -14.2 | 27.9 | 0 | 0 | 0 | 111.1 | Y1046 | P1044-Y1046 PolarHBondContact O-N 3.42Š| ||
| 1045 | D | 33.5 | Very low | 34.1 | Very low | 164 Ų | 164 | 160.5 Ų | 160.5 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -51.6 | 107.1 | 174.3 | -67.9 | -47.9 | 0 | 0 | 0 | 110.8 | ||||
| 1046 | Y | 34.5 | Very low | 34 | Very low | 224 Ų | 224 | 156.9 Ų | 156.9 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | trans | -93.3 | 111.6 | 160.5 | -93.7 | -87.9 | 0 | 0 | 0 | 107.6 | P1044 | P1044-Y1046 PolarHBondContact O-N 3.42Š| ||
| 1047 | E | 32.4 | Very low | 33.8 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -51 | 143.2 | 177.6 | -79.2 | 173.1 | 140.6 | 0 | 0 | 112.6 | M1049 | E1047-M1049 PolarHBondContact O-N 2.92Å; E1047-M1049 VanDerWaalsContact O-N 3.17Å | ||
| 1048 | S | 31.7 | Very low | 33.7 | Very low | 105 Ų | 105 | 149.4 Ų | 149.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -52 | 109.2 | 178 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1049 | M | 31.1 | Very low | 33.5 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -90.7 | 99.2 | 155 | -76.1 | -152 | 137.2 | 0 | 0 | 108.9 | E1047 N1051 | E1047-M1049 PolarHBondContact O-N 2.92Å; E1047-M1049 VanDerWaalsContact O-N 3.17Å; M1049-N1051 PolarHBondContact O-N 3.01Å | ||
| 1050 | V | 31.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 153 Ų | 153 | 66% | 0.655 | 79% | 0.793 | S | S | * | * | trans | -71.9 | 102.2 | 166.4 | 178.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1051 | N | 33.1 | Very low | 33.2 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 65% | 0.647 | 79% | 0.791 | S | S | * | * | trans | -120 | 103.3 | 162.4 | -77.9 | -19.8 | 0 | 0 | 0 | 107.6 | M1049 E1053 | M1049-N1051 PolarHBondContact O-N 3.01Å; N1051-E1053 PolarHBondContact O-N 3.39Å | ||
| 1052 | N | 33.6 | Very low | 32.9 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -75.7 | 101.2 | 164 | -64.3 | -45.4 | 0 | 0 | 0 | 106.9 | ||||
| 1053 | E | 37.7 | Very low | 32.6 | Very low | 120 Ų | 120 | 155.6 Ų | 155.6 | 56% | 0.561 | 79% | 0.791 | S | S | * | * | trans | -119.5 | 106.1 | 159.9 | -77.1 | 177.5 | 165.5 | 0 | 0 | 105.5 | R922 N1051 E1055 | R922-E1053 IonicContact CZ-OE1 3.99Å; R922-E1053 IonicContact CZ-OE2 2.73Å; R922-E1053 IonicContact NH1-OE1 2.69Å; R922-E1053 IonicContact NH1-OE2 3.81Å; R922-E1053 PolarHBondContact NH1-OE2 3.18Å; R922-E1053 IonicContact NH2-OE1 3.77Å; R922-E1053 PolarHBondContact NH2-OE1 3.12Å; R922-E1053 IonicContact NH2-OE2 2.83Å; N1051-E1053 PolarHBondContact O-N 3.39Å; E1053-E1055 PolarHBondContact O-N 3.37Å | ||
| 1054 | E | 31.9 | Very low | 32.4 | Very low | 182 Ų | 182 | 160 Ų | 160 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -69.1 | 113 | 173.4 | -74.1 | 174.5 | 163.6 | 0 | 0 | 108.2 | ||||
| 1055 | E | 29.8 | Very low | 32 | Very low | 187 Ų | 187 | 163.7 Ų | 163.7 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 136.7 | 173.5 | -81.8 | -163.9 | 157.3 | 0 | 0 | 111.3 | E1053 G1057 | E1053-E1055 PolarHBondContact O-N 3.37Å; E1055-G1057 PolarHBondContact O-N 3.38Å |
| 1056 | P | 34.6 | Very low | 32.2 | Very low | 114 Ų | 114 | 160.7 Ų | 160.7 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 122.3 | -178.9 | 29.5 | -31.1 | 0 | 0 | 0 | 111.7 | Y1058 | P1056-Y1058 PolarHBondContact O-N 3.47Š|
| 1057 | G | 29.4 | Very low | 32.3 | Very low | 77 Ų | 77 | 158.3 Ų | 158.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1055 Q1059 | E1055-G1057 PolarHBondContact O-N 3.38Å; G1057-Q1059 PolarHBondContact O-N 3.05Å |
| 1058 | Y | 32.6 | Very low | 32.2 | Very low | 228 Ų | 228 | 158.8 Ų | 158.8 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -74.7 | 110.5 | 168.8 | -83.1 | -96 | 0 | 0 | 0 | 111 | P1056 K1060 | P1056-Y1058 PolarHBondContact O-N 3.47Å; Y1058-K1060 PolarHBondContact O-N 3.42Å | ||
| 1059 | Q | 33.7 | Very low | 32.3 | Very low | 193 Ų | 193 | 164.8 Ų | 164.8 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -74.4 | 108.5 | 165.9 | -80.2 | 178.3 | -12.6 | 0 | 0 | 109.9 | G1057 Q1061 | G1057-Q1059 PolarHBondContact O-N 3.05Å; Q1059-Q1061 PolarHBondContact O-N 3.38Å | ||
| 1060 | K | 33.1 | Very low | 32.3 | Very low | 203 Ų | 203 | 166.4 Ų | 166.4 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -65.3 | 110 | 169 | -76.4 | 177.1 | 176.1 | 175 | 0 | 109.7 | Y1058 | Y1058-K1060 PolarHBondContact O-N 3.42Š| ||
| 1061 | Q | 32.9 | Very low | 32.3 | Very low | 166 Ų | 166 | 167.3 Ų | 167.3 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -89.7 | 110.5 | 166.6 | -162.1 | 166.1 | 20.8 | 0 | 0 | 108.6 | Q1059 F1063 | Q1059-Q1061 PolarHBondContact O-N 3.38Å; Q1061-F1063 PolarHBondContact O-N 2.96Å | ||
| 1062 | E | 26.8 | Very low | 32.1 | Very low | 186 Ų | 186 | 166.1 Ų | 166.1 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -67.5 | 111.3 | 178.4 | -66.1 | 177 | 162.6 | 0 | 0 | 110 | ||||
| 1063 | F | 28.2 | Very low | 31.9 | Very low | 172 Ų | 172 | 164.7 Ų | 164.7 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | -93.6 | 112.7 | 167.4 | -97.8 | -89.3 | 0 | 0 | 0 | 109.7 | Q1061 F1065 | Q1061-F1063 PolarHBondContact O-N 2.96Å; F1063-F1065 PolarHBondContact O-N 3.24Å | ||
| 1064 | E | 29 | Very low | 31.6 | Very low | 195 Ų | 195 | 168.3 Ų | 168.3 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -71.8 | 110.3 | 169.6 | -119.4 | 179.9 | 171.2 | 0 | 0 | 109.4 | ||||
| 1065 | F | 30 | Very low | 31.6 | Very low | 187 Ų | 187 | 165.5 Ų | 165.5 | 82% | 0.82 | 82% | 0.82 | S | S | * | * | trans | -73.6 | 128.3 | 175.5 | -84.1 | -90.6 | 0 | 0 | 0 | 111.1 | F1063 L1067 | F1063-F1065 PolarHBondContact O-N 3.24Å; F1065-L1067 PolarHBondContact O-N 2.98Å | ||
| 1066 | P | 39 | Very low | 31.6 | Very low | 101 Ų | 101 | 164.9 Ų | 164.9 | 66% | 0.656 | 82% | 0.82 | S | S | * | * | trans | -67.9 | 129.2 | 172.2 | -13.1 | 27.3 | 0 | 0 | 0 | 110.4 | F1068 | P1066-F1068 PolarHBondContact O-N 3.04Š| ||
| 1067 | L | 34.9 | Very low | 31.5 | Very low | 174 Ų | 174 | 166.8 Ų | 166.8 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -49.5 | 93.7 | 174.1 | -102.6 | 86 | 0 | 0 | 0 | 112 | F1065 R1069 | F1065-L1067 PolarHBondContact O-N 2.98Å; L1067-R1069 PolarHBondContact O-N 2.9Å; L1067-R1069 VanDerWaalsContact O-N 3.08Å | ||
| 1068 | F | 32 | Very low | 31.5 | Very low | 191 Ų | 191 | 169.3 Ų | 169.3 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -74.5 | 98.6 | 161.9 | -84.9 | -83.4 | 0 | 0 | 0 | 108.9 | P1066 K1070 | P1066-F1068 PolarHBondContact O-N 3.04Å; F1068-K1070 PolarHBondContact O-N 3.05Å | ||
| 1069 | R | 32.5 | Very low | 31.5 | Very low | 232 Ų | 232 | 163.4 Ų | 163.4 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | trans | -55.2 | 103.6 | 167.5 | -134 | -177.9 | -158 | 179.6 | 6.3 | 107.9 | L1067 V1071 | L1067-R1069 PolarHBondContact O-N 2.9Å; L1067-R1069 VanDerWaalsContact O-N 3.08Å; R1069-V1071 PolarHBondContact O-N 3.36Å | ||
| 1070 | K | 32.1 | Very low | 31.3 | Very low | 209 Ų | 209 | 164 Ų | 164 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -59.6 | 99.1 | 172.1 | -72.1 | -177.3 | 177.6 | -178.4 | 0 | 108.9 | F1068 S1072 | F1068-K1070 PolarHBondContact O-N 3.05Å; K1070-S1072 PolarHBondContact O-N 3.21Å | ||
| 1071 | V | 30.9 | Very low | 31.1 | Very low | 127 Ų | 127 | 161.2 Ų | 161.2 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -76 | 116.3 | 168 | -172 | 0 | 0 | 0 | 0 | 106.4 | R1069 | R1069-V1071 PolarHBondContact O-N 3.36Š| ||
| 1072 | S | 28.9 | Very low | 31 | Very low | 97 Ų | 97 | 160.9 Ų | 160.9 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -57.3 | 134.6 | 179.4 | -168.1 | 0 | 0 | 0 | 0 | 110 | K1070 F1074 | K1070-S1072 PolarHBondContact O-N 3.21Å; S1072-F1074 PolarHBondContact O-N 2.98Å; S1072-F1074 VanDerWaalsContact O-N 3.08Å | ||
| 1073 | P | 30.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 159.1 Ų | 159.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 115.5 | -174.5 | -13.8 | 27.3 | 0 | 0 | 0 | 109.5 | T1075 | P1073-T1075 PolarHBondContact O-N 3.27Š| ||
| 1074 | F | 31 | Very low | 31.3 | Very low | 195 Ų | 195 | 158.8 Ų | 158.8 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -54.7 | 119.6 | 166.6 | -105.8 | -99.4 | 0 | 0 | 0 | 108.5 | S1072 M1076 | S1072-F1074 PolarHBondContact O-N 2.98Å; S1072-F1074 VanDerWaalsContact O-N 3.08Å; F1074-M1076 PolarHBondContact O-N 2.89Å | ||
| 1075 | T | 31.7 | Very low | 31.5 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -61.1 | 98.4 | 171.2 | 37.9 | 0 | 0 | 0 | 0 | 109 | P1073 N1077 | P1073-T1075 PolarHBondContact O-N 3.27Å; T1075-N1077 PolarHBondContact O-N 3.42Å; T1075-N1077 VanDerWaalsContact O-N 3.13Å | ||
| 1076 | M | 30.7 | Very low | 31.7 | Very low | 175 Ų | 175 | 156.1 Ų | 156.1 | 86% | 0.862 | 81% | 0.806 | S | S | * | * | trans | -61.5 | 110.8 | 167.5 | -91.3 | -87.2 | 160.3 | 0 | 0 | 108.2 | F1074 T1078 | F1074-M1076 PolarHBondContact O-N 2.89Å; M1076-T1078 PolarHBondContact O-N 3.45Å | ||
| 1077 | N | 32.5 | Very low | 31.2 | Very low | 154 Ų | 154 | 159.3 Ų | 159.3 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -61.9 | 102.3 | 174.2 | -71.1 | -48.5 | 0 | 0 | 0 | 109.5 | T1075 | T1075-N1077 PolarHBondContact O-N 3.42Å; T1075-N1077 VanDerWaalsContact O-N 3.13Å | ||
| 1078 | T | 28.7 | Very low | 31.1 | Very low | 130 Ų | 130 | 158.2 Ų | 158.2 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | -63.6 | 134.2 | 173.7 | -33.5 | 0 | 0 | 0 | 0 | 109.8 | M1076 | M1076-T1078 PolarHBondContact O-N 3.45Š| ||
| 1079 | P | 32.1 | Very low | 31.1 | Very low | 103 Ų | 103 | 158.6 Ų | 158.6 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | trans | -73.4 | 137.8 | -166.6 | -10.2 | 26.5 | 0 | 0 | 0 | 111.9 | I1081 | P1079-I1081 PolarHBondContact O-N 3.04Š| ||
| 1080 | K | 29.1 | Very low | 31 | Very low | 205 Ų | 205 | 154.1 Ų | 154.1 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -62.5 | 93.7 | 169 | -88.1 | 178.7 | 174.2 | 174.1 | 0 | 110.1 | Q1082 | K1080-Q1082 PolarHBondContact O-N 3.13Š| ||
| 1081 | I | 30.1 | Very low | 31.1 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -85.7 | 100 | 164.9 | -59.2 | 176.4 | 0 | 0 | 0 | 106.9 | P1079 | P1079-I1081 PolarHBondContact O-N 3.04Š| ||
| 1082 | Q | 30.1 | Very low | 31 | Very low | 160 Ų | 160 | 152 Ų | 152 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -66.7 | 141.6 | 165.7 | -73.9 | 175 | -16.2 | 0 | 0 | 109.2 | K1080 | K1080-Q1082 PolarHBondContact O-N 3.13Š| ||
| 1083 | N | 32 | Very low | 31 | Very low | 148 Ų | 148 | 155.1 Ų | 155.1 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | 67.3 | 79.3 | 165.6 | -59.5 | -26.8 | 0 | 0 | 0 | 116.9 | ||||
| 1084 | L | 29.7 | Very low | 31 | Very low | 166 Ų | 166 | 160.7 Ų | 160.7 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | -122.5 | 109.3 | 136.3 | -87 | 164.8 | 0 | 0 | 0 | 107.8 | T1086 | L1084-T1086 PolarHBondContact O-N 3.11Š| ||
| 1085 | Q | 33 | Very low | 30.9 | Very low | 188 Ų | 188 | 161.5 Ų | 161.5 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -43.7 | 122.9 | 171.4 | -72.1 | 164.8 | -41.9 | 0 | 0 | 109.1 | L1087 | Q1085-L1087 PolarHBondContact O-N 3.33Š| ||
| 1086 | T | 34.6 | Very low | 31 | Very low | 137 Ų | 137 | 162.4 Ų | 162.4 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -54.1 | 104 | 167.7 | 34.5 | 0 | 0 | 0 | 0 | 108.6 | L1084 D1088 | L1084-T1086 PolarHBondContact O-N 3.11Å; T1086-D1088 PolarHBondContact O-N 3.48Å | ||
| 1087 | L | 27.9 | Very low | 31.3 | Very low | 168 Ų | 168 | 159.3 Ų | 159.3 | 88% | 0.88 | 83% | 0.825 | S | S | * | * | trans | -62 | 122.4 | 169.2 | -157.4 | 80.3 | 0 | 0 | 0 | 108 | Q1085 K1089 | Q1085-L1087 PolarHBondContact O-N 3.33Å; L1087-K1089 PolarHBondContact O-N 3.36Å | ||
| 1088 | D | 33.6 | Very low | 31.2 | Very low | 152 Ų | 152 | 164.1 Ų | 164.1 | 81% | 0.813 | 83% | 0.832 | S | S | * | * | trans | -46.4 | 110.1 | -179.4 | -68.9 | -56.3 | 0 | 0 | 0 | 112.9 | T1086 V1090 | T1086-D1088 PolarHBondContact O-N 3.48Å; D1088-V1090 PolarHBondContact O-N 3.05Å | ||
| 1089 | K | 32.5 | Very low | 31.4 | Very low | 198 Ų | 198 | 167.5 Ų | 167.5 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | trans | -84.3 | 100.9 | 158.5 | -80.6 | -175 | 178.6 | -179.6 | 0 | 108.4 | L1087 T1091 | L1087-K1089 PolarHBondContact O-N 3.36Å; K1089-T1091 PolarHBondContact O-N 3.34Å | ||
| 1090 | V | 28.7 | Very low | 31.4 | Very low | 138 Ų | 138 | 169.9 Ų | 169.9 | 84% | 0.836 | 85% | 0.848 | S | S | * | * | trans | -27.9 | 99 | 165.7 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | D1088 | D1088-V1090 PolarHBondContact O-N 3.05Š| ||
| 1091 | T | 34.5 | Very low | 31.3 | Very low | 121 Ų | 121 | 163.8 Ų | 163.8 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | trans | -79 | 122 | 172.9 | 42.2 | 0 | 0 | 0 | 0 | 110.1 | K1089 I1093 | K1089-T1091 PolarHBondContact O-N 3.34Å; T1091-I1093 PolarHBondContact O-N 2.87Å | ||
| 1092 | N | 29.2 | Very low | 31.2 | Very low | 170 Ų | 170 | 168.6 Ų | 168.6 | 91% | 0.909 | 85% | 0.852 | S | S | * | * | trans | -46.6 | 120.5 | 169.9 | -93.2 | -36.5 | 0 | 0 | 0 | 111.7 | R1094 | N1092-R1094 PolarHBondContact O-N 3.1Š| ||
| 1093 | I | 30.1 | Very low | 31.2 | Very low | 163 Ų | 163 | 169.9 Ų | 169.9 | 84% | 0.836 | 86% | 0.858 | S | S | * | * | S | Bend | trans | -71.5 | 100.9 | -177 | -58.6 | 162.2 | 0 | 0 | 0 | 108.6 | T1091 | T1091-I1093 PolarHBondContact O-N 2.87Š|
| 1094 | R | 30 | Very low | 31.1 | Very low | 236 Ų | 236 | 170.1 Ų | 170.1 | 89% | 0.891 | 86% | 0.858 | S | S | * | * | trans | -168.8 | 41.6 | 152.9 | -110.4 | 171.9 | -162.2 | -138.7 | 6.2 | 114.7 | N1092 | N1092-R1094 PolarHBondContact O-N 3.1Š| ||
| 1095 | K | 29 | Very low | 31.1 | Very low | 212 Ų | 212 | 168.7 Ų | 168.7 | 92% | 0.922 | 86% | 0.856 | S | S | * | * | trans | -144.5 | 110.2 | 154.6 | -71.1 | -163.8 | 178 | 179.8 | 0 | 110.2 | ||||
| 1096 | T | 33.7 | Very low | 31 | Very low | 141 Ų | 141 | 168.4 Ų | 168.4 | 87% | 0.865 | 86% | 0.855 | S | S | * | * | trans | -91.7 | 144.8 | 177.6 | -31.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1097 | P | 36 | Very low | 30.7 | Very low | 110 Ų | 110 | 170.1 Ų | 170.1 | 71% | 0.714 | 85% | 0.853 | S | S | * | * | trans | -108 | 147.2 | -143.4 | 34 | -22.8 | 0 | 0 | 0 | 113.3 | ||||
| 1098 | R | 30.5 | Very low | 30.8 | Very low | 256 Ų | 256 | 168 Ų | 168 | 97% | 0.966 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 127.3 | 164 | -78.5 | -168.6 | 176.1 | -162.3 | 0.5 | 110.2 | ||
| 1099 | K | 33.5 | Very low | 30.6 | Very low | 201 Ų | 201 | 171.3 Ų | 171.3 | 87% | 0.874 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 140.7 | -172.3 | -69.2 | 174.3 | 173.3 | 178.3 | 0 | 112.5 | ||
| 1100 | T | 30.8 | Very low | 30.6 | Very low | 152 Ų | 152 | 170.8 Ų | 170.8 | 93% | 0.933 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 132.1 | 156.3 | 17.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1101 | G | 28.6 | Very low | 30.6 | Very low | 77 Ų | 77 | 173.1 Ų | 173.1 | 79% | 0.794 | 86% | 0.856 | S | S | * | * | trans | 179.7 | 96 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1102 | R | 28.4 | Very low | 30.5 | Very low | 247 Ų | 247 | 174.3 Ų | 174.3 | 93% | 0.932 | 86% | 0.857 | S | S | * | * | trans | 15.7 | 134.6 | 161.8 | -89.9 | -179.4 | 171.4 | -161.9 | -3 | 122.5 | ||||
| 1103 | Q | 28.4 | Very low | 30.9 | Very low | 186 Ų | 186 | 172.1 Ų | 172.1 | 87% | 0.869 | 85% | 0.85 | S | S | * | * | trans | -43.3 | 129.4 | 161.7 | -72.1 | 161.6 | -35.2 | 0 | 0 | 114.5 | ||||
| 1104 | I | 31 | Very low | 31.1 | Very low | 154 Ų | 154 | 173.4 Ų | 173.4 | 79% | 0.79 | 85% | 0.853 | S | S | * | * | trans | -131.4 | 111.7 | 144.4 | -61 | -179.3 | 0 | 0 | 0 | 106 | ||||
| 1105 | T | 29.3 | Very low | 31.4 | Very low | 135 Ų | 135 | 171.2 Ų | 171.2 | 83% | 0.828 | 85% | 0.85 | S | S | * | * | trans | -68 | 113.6 | 167.4 | 26.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1106 | E | 30.7 | Very low | 31.8 | Very low | 182 Ų | 182 | 165.3 Ų | 165.3 | 85% | 0.85 | 84% | 0.835 | S | S | * | * | trans | -129.6 | 110.7 | 154 | -87.5 | -176.4 | 166.7 | 0 | 0 | 108 | C1108 | E1106-C1108 PolarHBondContact O-N 3.24Š| ||
| 1107 | E | 28.3 | Very low | 32.2 | Very low | 173 Ų | 173 | 169.5 Ų | 169.5 | 81% | 0.808 | 84% | 0.835 | S | S | * | * | trans | -65.1 | 113 | 172.5 | -70.4 | 169.3 | 148.3 | 0 | 0 | 109.2 | ||||
| 1108 | C | 29.6 | Very low | 32.4 | Very low | 124 Ų | 124 | 173.2 Ų | 173.2 | 84% | 0.838 | 84% | 0.84 | S | S | * | * | trans | -138.7 | 99.1 | 159.3 | -94.5 | 0 | 0 | 0 | 0 | 108.9 | E1106 K1110 | E1106-C1108 PolarHBondContact O-N 3.24Å; C1108-K1110 PolarHBondContact O-N 3.48Å | ||
| 1109 | Y | 28.9 | Very low | 33 | Very low | 222 Ų | 222 | 168 Ų | 168 | 87% | 0.871 | 83% | 0.832 | S | S | * | * | trans | -42.3 | 117.6 | 167.7 | -73.1 | -96.6 | 0 | 0 | 0 | 112 | ||||
| 1110 | K | 32.4 | Very low | 33 | Very low | 186 Ų | 186 | 162.7 Ų | 162.7 | 81% | 0.809 | 82% | 0.819 | S | S | * | * | trans | -130.7 | 117.5 | 152.6 | -75.8 | -170.1 | 177.1 | -179.8 | 0 | 108.1 | C1108 D1112 | C1108-K1110 PolarHBondContact O-N 3.48Å; K1110-D1112 PolarHBondContact O-N 3.21Å; K1110-D1112 VanDerWaalsContact O-N 3.16Å | ||
| 1111 | M | 30.1 | Very low | 33.2 | Very low | 188 Ų | 188 | 164.4 Ų | 164.4 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | trans | -64.2 | 103.6 | 169.7 | -79.9 | -177.9 | 154.2 | 0 | 0 | 108.4 | T1113 | M1111-T1113 PolarHBondContact O-N 3.22Š| ||
| 1112 | D | 32.3 | Very low | 33.8 | Very low | 146 Ų | 146 | 169.7 Ų | 169.7 | 78% | 0.781 | 82% | 0.82 | S | S | * | * | trans | -81.5 | 101.5 | 167.2 | -76.6 | -31.7 | 0 | 0 | 0 | 108.6 | K1110 E1114 | K1110-D1112 PolarHBondContact O-N 3.21Å; K1110-D1112 VanDerWaalsContact O-N 3.16Å; D1112-E1114 VanDerWaalsContact C-N 3.34Å; D1112-E1114 PolarHBondContact O-N 3.26Å | ||
| 1113 | T | 36.9 | Very low | 34.4 | Very low | 124 Ų | 124 | 164.6 Ų | 164.6 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | -67.3 | 91.8 | 163.4 | 43.3 | 0 | 0 | 0 | 0 | 108.9 | M1111 K1115 | M1111-T1113 PolarHBondContact O-N 3.22Å; T1113-K1115 VanDerWaalsContact C-N 3.31Å; T1113-K1115 PolarHBondContact O-N 3.32Å | ||
| 1114 | E | 35.5 | Very low | 34.7 | Very low | 190 Ų | 190 | 166 Ų | 166 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -67.3 | 87 | 168.2 | -73.6 | -177.7 | 159.5 | 0 | 0 | 109.7 | D1112 | D1112-E1114 VanDerWaalsContact C-N 3.34Å; D1112-E1114 PolarHBondContact O-N 3.26Å | ||
| 1115 | K | 36 | Very low | 34.7 | Very low | 190 Ų | 190 | 161 Ų | 161 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -83 | 123.3 | 161.2 | -78.2 | -175.8 | 176.8 | -178.1 | 0 | 108.5 | T1113 | T1113-K1115 VanDerWaalsContact C-N 3.31Å; T1113-K1115 PolarHBondContact O-N 3.32Å | ||
| 1116 | S | 37.7 | Very low | 35 | Very low | 87 Ų | 87 | 166.3 Ų | 166.3 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | trans | -53.9 | 139.9 | -178.1 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | F1118 D1119 | S1116-F1118 PolarHBondContact O-N 3.45Å; S1116-D1119 PolarHBondContact O-N 2.96Å | ||
| 1117 | W | 42.4 | Very low | 35 | Very low | 230 Ų | 230 | 161.5 Ų | 161.5 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -53.2 | -19.1 | -173.7 | -172.3 | -62.9 | 0 | 0 | 0 | 115.3 | D1119 | W1117-D1119 VanDerWaalsContact C-N 3.33Å; W1117-D1119 PolarHBondContact O-N 3.02Å |
| 1118 | F | 38.4 | Very low | 35.4 | Very low | 187 Ų | 187 | 157.9 Ų | 157.9 | 82% | 0.82 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -78.5 | -6.7 | -174.1 | -76.8 | -79 | 0 | 0 | 0 | 115.7 | S1116 | S1116-F1118 PolarHBondContact O-N 3.45Š|
| 1119 | D | 43.5 | Very low | 35.6 | Very low | 147 Ų | 147 | 161.1 Ų | 161.1 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | G | 310 helix | trans | -97.5 | 14.7 | 179.6 | -72.8 | -21.3 | 0 | 0 | 0 | 114.4 | S1116 W1117 | S1116-D1119 PolarHBondContact O-N 2.96Å; W1117-D1119 VanDerWaalsContact C-N 3.33Å; W1117-D1119 PolarHBondContact O-N 3.02Å |
| 1120 | C | 34.1 | Very low | 35.9 | Very low | 90 Ų | 90 | 162.1 Ų | 162.1 | 61% | 0.608 | 83% | 0.829 | S | S | * | * | trans | -104.8 | 35.5 | -176.5 | -69.4 | 0 | 0 | 0 | 0 | 115.6 | Q1122 | C1120-Q1122 PolarHBondContact O-N 3.31Å; C1120-Q1122 VanDerWaalsContact O-N 3.14Å | ||
| 1121 | E | 34.7 | Very low | 36.1 | Very low | 188 Ų | 188 | 160.9 Ų | 160.9 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 31 | 173.8 | -107.8 | -177.4 | -172.6 | 0 | 0 | 114.6 | ||
| 1122 | Q | 41.1 | Very low | 36.4 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 30.1 | 170.9 | -94.6 | -172.9 | 2.5 | 0 | 0 | 113.8 | C1120 | C1120-Q1122 PolarHBondContact O-N 3.31Å; C1120-Q1122 VanDerWaalsContact O-N 3.14Å |
| 1123 | I | 41.6 | Very low | 36.6 | Very low | 141 Ų | 141 | 160.2 Ų | 160.2 | 72% | 0.723 | 83% | 0.827 | S | S | * | * | trans | -112.4 | 31.7 | 171.2 | -49.2 | 174.1 | 0 | 0 | 0 | 111 | ||||
| 1124 | F | 34 | Very low | 36.6 | Very low | 215 Ų | 215 | 162.4 Ų | 162.4 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -122 | 36.8 | 165.2 | -78.8 | -68.4 | 0 | 0 | 0 | 112.5 | ||
| 1125 | G | 31.5 | Very low | 36.7 | Very low | 49 Ų | 49 | 160.6 Ų | 160.6 | 51% | 0.505 | 83% | 0.827 | S | S | . | * | S | Bend | trans | -149.9 | 122.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1126 | Y | 35.3 | Very low | 36.7 | Very low | 247 Ų | 247 | 158.7 Ų | 158.7 | 97% | 0.969 | 83% | 0.827 | S | S | * | * | trans | 90.5 | 87.2 | 173.4 | -56 | -77.8 | 0 | 0 | 0 | 116.3 | ||||
| 1127 | G | 31.4 | Very low | 36.7 | Very low | 81 Ų | 81 | 163.8 Ų | 163.8 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | -174.5 | 61.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1128 | A | 37 | Very low | 36.2 | Very low | 96 Ų | 96 | 158.7 Ų | 158.7 | 79% | 0.793 | 84% | 0.841 | S | S | * | * | trans | -149.4 | 94.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 1129 | E | 33.3 | Very low | 36 | Very low | 192 Ų | 192 | 156.3 Ų | 156.3 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | 43.3 | 73.2 | 74 | -70.3 | -169.8 | -178.9 | 0 | 0 | 112.3 | |||||
| 1130 | D | 35 | Very low | 35.4 | Very low | 243 Ų | 243 | 157.2 Ų | 157.2 | 100% | 1.299 | 85% | 0.848 | S | S | * | * | 175.1 | 0 | 118.6 | -99.3 | -20 | 0 | 0 | 0 | 111.3 |
Retrieved 1,130 of 1,130 residues in 1887.6 ms
(Link to these results)