| 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 | 18.5 | Very low | 25.4 | Very low | 244 Ų | 244 | 148.9 Ų | 148.9 | 100% | 1.202 | 84% | 0.836 | S | S | * | * | 0 | 100.8 | 0 | -147.8 | -148.2 | -61.3 | 0 | 0 | 108.2 | |||||
| 2 | L | 24 | Very low | 25.4 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | trans | -156.3 | 100.1 | 159.9 | -100.2 | 171.1 | 0 | 0 | 0 | 105.5 | I4 | L2-I4 VanDerWaalsContact C-N 3.3Å; L2-I4 PolarHBondContact O-N 3.15Å | ||
| 3 | A | 24.5 | Very low | 25.1 | Very low | 106 Ų | 106 | 155.7 Ų | 155.7 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | trans | -70 | 89 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S5 | A3-S5 VanDerWaalsContact C-N 3.34Å; A3-S5 PolarHBondContact O-N 3.39Å | ||
| 4 | I | 27.6 | Very low | 25 | Very low | 145 Ų | 145 | 156.1 Ų | 156.1 | 74% | 0.744 | 85% | 0.846 | S | S | * | * | trans | -76.2 | 92.9 | 174.4 | -61.6 | 175.1 | 0 | 0 | 0 | 107.3 | L2 S6 | L2-I4 VanDerWaalsContact C-N 3.3Å; L2-I4 PolarHBondContact O-N 3.15Å; I4-S6 PolarHBondContact O-N 3.32Å; I4-S6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | S | 24 | Very low | 25.1 | Very low | 90 Ų | 90 | 153.7 Ų | 153.7 | 63% | 0.629 | 84% | 0.842 | S | S | * | * | trans | -55.3 | 103.8 | 163.1 | 166.4 | 0 | 0 | 0 | 0 | 109.2 | A3 K7 | A3-S5 VanDerWaalsContact C-N 3.34Å; A3-S5 PolarHBondContact O-N 3.39Å; S5-K7 VanDerWaalsContact C-N 3.25Å; S5-K7 PolarHBondContact O-N 3.1Å | ||
| 6 | S | 25.6 | Very low | 25 | Very low | 116 Ų | 116 | 155.3 Ų | 155.3 | 81% | 0.811 | 85% | 0.847 | S | S | * | * | trans | -64.9 | 83.7 | 164.5 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | I4 N8 | I4-S6 PolarHBondContact O-N 3.32Å; I4-S6 VanDerWaalsContact O-N 3.08Å; S6-N8 PolarHBondContact O-N 2.98Å | ||
| 7 | K | 24.9 | Very low | 24.8 | Very low | 187 Ų | 187 | 156.6 Ų | 156.6 | 81% | 0.813 | 85% | 0.846 | S | S | * | * | trans | -69.3 | 99.1 | 169.1 | -90.5 | -175.4 | 174.9 | -179.8 | 0 | 108.7 | S5 | S5-K7 VanDerWaalsContact C-N 3.25Å; S5-K7 PolarHBondContact O-N 3.1Å | ||
| 8 | N | 25.8 | Very low | 24.9 | Very low | 156 Ų | 156 | 156.7 Ų | 156.7 | 83% | 0.834 | 85% | 0.847 | S | S | * | * | trans | -57.5 | 119.7 | 165.1 | -129.2 | -12.7 | 0 | 0 | 0 | 108.1 | S6 N10 | S6-N8 PolarHBondContact O-N 2.98Å; N8-N10 PolarHBondContact O-N 3.39Å; N8-N10 VanDerWaalsContact O-N 3.17Å | ||
| 9 | P | 32.3 | Very low | 24.8 | Very low | 110 Ų | 110 | 154.4 Ų | 154.4 | 71% | 0.714 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -85.2 | 92.7 | -174.8 | 32.6 | -29.3 | 0 | 0 | 0 | 108.4 | ||
| 10 | N | 25.4 | Very low | 24.8 | Very low | 152 Ų | 152 | 155.2 Ų | 155.2 | 81% | 0.813 | 85% | 0.847 | S | S | * | * | trans | -176.1 | 88 | 160.8 | -87.3 | -26.7 | 0 | 0 | 0 | 107.2 | N8 | N8-N10 PolarHBondContact O-N 3.39Å; N8-N10 VanDerWaalsContact O-N 3.17Å | ||
| 11 | D | 26.9 | Very low | 24.9 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 91% | 0.914 | 84% | 0.841 | S | S | * | * | trans | -165.4 | 135.5 | 144.8 | -92.2 | -28.2 | 0 | 0 | 0 | 109.5 | ||||
| 12 | Q | 25.3 | Very low | 25.2 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -65.3 | 143.4 | -161.9 | -77.4 | 165.3 | -48.9 | 0 | 0 | 114.7 | ||||
| 13 | E | 21.8 | Very low | 25.3 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | -52.9 | 126.5 | 171.3 | -63.3 | 169.5 | 147.7 | 0 | 0 | 112.7 | ||||
| 14 | L | 23.7 | Very low | 25.4 | Very low | 162 Ų | 162 | 154.9 Ų | 154.9 | 85% | 0.848 | 83% | 0.827 | S | S | * | * | trans | -131.8 | 138 | 153.6 | -98.6 | 141.9 | 0 | 0 | 0 | 108.3 | ||||
| 15 | P | 25.7 | Very low | 25.3 | Very low | 120 Ų | 120 | 155.4 Ų | 155.4 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | trans | -88.4 | 138.9 | -143.5 | 32.9 | -33.9 | 0 | 0 | 0 | 113.9 | Q17 | P15-Q17 PolarHBondContact O-N 2.98Š| ||
| 16 | L | 23.7 | Very low | 25.2 | Very low | 178 Ų | 178 | 159.5 Ų | 159.5 | 93% | 0.932 | 85% | 0.845 | S | S | * | * | trans | -71.9 | 115.1 | 173.9 | -73.2 | 149.9 | 0 | 0 | 0 | 110.7 | ||||
| 17 | Q | 22.7 | Very low | 25.2 | Very low | 178 Ų | 178 | 159.1 Ų | 159.1 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | -115.8 | 132.3 | 157.7 | -94.3 | -178.9 | -15.7 | 0 | 0 | 109 | P15 | P15-Q17 PolarHBondContact O-N 2.98Š| ||
| 18 | N | 25.3 | Very low | 25.1 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | trans | 77.5 | 76.2 | 165.5 | -56.3 | -13.9 | 0 | 0 | 0 | 117.4 | ||||
| 19 | S | 23.7 | Very low | 24.9 | Very low | 113 Ų | 113 | 153.8 Ų | 153.8 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | trans | -110.6 | 83.1 | 156.7 | 59.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 20 | D | 25.3 | Very low | 24.5 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | trans | -134.9 | 27.6 | 171.2 | -106.2 | -19.1 | 0 | 0 | 0 | 113.1 | ||||
| 21 | S | 25.7 | Very low | 24.4 | Very low | 104 Ų | 104 | 154.3 Ų | 154.3 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -149.7 | 51.9 | 179.7 | 59.6 | 0 | 0 | 0 | 0 | 114 | ||
| 22 | L | 25.2 | Very low | 24.3 | Very low | 169 Ų | 169 | 152.2 Ų | 152.2 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | trans | -149.2 | 46.5 | 163 | -80.4 | -178.8 | 0 | 0 | 0 | 112.3 | ||||
| 23 | K | 26.4 | Very low | 24.2 | Very low | 216 Ų | 216 | 147.6 Ų | 147.6 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -107.8 | 16.4 | 166.9 | -100.5 | -171.5 | -179.8 | -178.9 | 0 | 114.1 | ||
| 24 | Q | 25.6 | Very low | 24.3 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -130.3 | 130.8 | 167.6 | -74.8 | -179 | -12.6 | 0 | 0 | 108.6 | ||
| 25 | N | 25.5 | Very low | 24.2 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | 95.3 | 56.9 | -174.2 | -52.2 | -26.1 | 0 | 0 | 0 | 115.9 | ||||
| 26 | L | 23.3 | Very low | 24.3 | Very low | 175 Ų | 175 | 143 Ų | 143 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -77.3 | 111.7 | 139.1 | -139.3 | 84.4 | 0 | 0 | 0 | 105.1 | S28 | L26-S28 PolarHBondContact O-N 3.38Š| ||
| 27 | P | 25.2 | Very low | 24.3 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | trans | -67 | 114.1 | -178.3 | 27.3 | -29.2 | 0 | 0 | 0 | 106.7 | T29 | P27-T29 PolarHBondContact O-N 3.45Å; P27-T29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | S | 21.9 | Very low | 24.4 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -38.6 | 124.1 | 156.3 | 44.8 | 0 | 0 | 0 | 0 | 107 | L26 N30 | L26-S28 PolarHBondContact O-N 3.38Å; S28-N30 PolarHBondContact O-N 2.65Å | ||
| 29 | T | 23.5 | Very low | 24.3 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -48.9 | 88.6 | 171.2 | 42.6 | 0 | 0 | 0 | 0 | 108 | P27 T31 | P27-T29 PolarHBondContact O-N 3.45Å; P27-T29 VanDerWaalsContact O-N 3.14Å; T29-T31 PolarHBondContact O-N 3.08Å | ||
| 30 | N | 23.1 | Very low | 24.4 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | -61.2 | 97.1 | 159.5 | -85 | -14.2 | 0 | 0 | 0 | 102.8 | S28 V32 | S28-N30 PolarHBondContact O-N 2.65Å; N30-V32 PolarHBondContact O-N 3.31Å | ||
| 31 | T | 23.5 | Very low | 24.3 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | trans | -24.6 | 107.4 | 149.2 | 30 | 0 | 0 | 0 | 0 | 107.5 | T29 S33 | T29-T31 PolarHBondContact O-N 3.08Å; T31-S33 VanDerWaalsContact C-N 3.35Å; T31-S33 PolarHBondContact O-N 3.49Å | ||
| 32 | V | 24.1 | Very low | 24.3 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -54.6 | 110.1 | 175.2 | 170.2 | 0 | 0 | 0 | 0 | 105.1 | N30 S34 | N30-V32 PolarHBondContact O-N 3.31Å; V32-S34 PolarHBondContact O-N 2.92Å | ||
| 33 | S | 22.4 | Very low | 24.4 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | trans | -38.9 | 123.6 | 172.4 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | T31 F35 | T31-S33 VanDerWaalsContact C-N 3.35Å; T31-S33 PolarHBondContact O-N 3.49Å; S33-F35 PolarHBondContact O-N 2.95Å; S33-F35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | S | 23.9 | Very low | 24.4 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | -34.6 | 114.9 | 162.9 | 38.6 | 0 | 0 | 0 | 0 | 111 | V32 | V32-S34 PolarHBondContact O-N 2.92Š| ||
| 35 | F | 23.3 | Very low | 24.2 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -67.3 | 136.1 | 159.3 | -85.9 | -85.2 | 0 | 0 | 0 | 107.8 | S33 | S33-F35 PolarHBondContact O-N 2.95Å; S33-F35 VanDerWaalsContact O-N 3.15Å | ||
| 36 | P | 26.7 | Very low | 24.2 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 53% | 0.532 | 73% | 0.732 | S | S | . | * | trans | -71.7 | 134.3 | -162.7 | 28.8 | -34 | 0 | 0 | 0 | 111.4 | S38 | P36-S38 PolarHBondContact O-N 2.89Š| ||
| 37 | T | 23.4 | Very low | 24.2 | Very low | 144 Ų | 144 | 124 Ų | 124 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | trans | -67.9 | 80.9 | 167.1 | 47.1 | 0 | 0 | 0 | 0 | 109 | E39 | T37-E39 PolarHBondContact O-N 3.48Š| ||
| 38 | S | 24.5 | Very low | 24.2 | Very low | 72 Ų | 72 | 124.8 Ų | 124.8 | 50% | 0.503 | 72% | 0.719 | S | S | . | * | trans | -79.3 | 103.2 | 159.3 | 56 | 0 | 0 | 0 | 0 | 107.6 | P36 T40 | P36-S38 PolarHBondContact O-N 2.89Å; S38-T40 PolarHBondContact O-N 3.46Å | ||
| 39 | E | 23.8 | Very low | 24.5 | Very low | 147 Ų | 147 | 126 Ų | 126 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | -51.1 | 103.1 | 159.7 | -72 | 174.6 | 154.5 | 0 | 0 | 109.4 | T37 S295 | T37-E39 PolarHBondContact O-N 3.48Å; E39-S295 PolarHBondContact O-N 3.05Å | ||
| 40 | T | 25.6 | Very low | 24.8 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 56% | 0.558 | 72% | 0.721 | S | S | * | * | trans | -144.8 | 108.9 | 149.5 | 49.5 | 0 | 0 | 0 | 0 | 106.9 | S38 N42 | S38-T40 PolarHBondContact O-N 3.46Å; T40-N42 PolarHBondContact O-N 3.18Å | ||
| 41 | D | 24.6 | Very low | 25.4 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | trans | -42.8 | 100.6 | 160.6 | -80.2 | -44.1 | 0 | 0 | 0 | 110.1 | ||||
| 42 | N | 25.6 | Very low | 26.3 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 67% | 0.668 | 72% | 0.719 | S | S | * | * | trans | -148.1 | 103.8 | 157.3 | -84.8 | -40.3 | 0 | 0 | 0 | 105.1 | T40 I44 | T40-N42 PolarHBondContact O-N 3.18Å; N42-I44 PolarHBondContact O-N 2.88Å; N42-I44 VanDerWaalsContact O-N 3.08Å | ||
| 43 | A | 27.1 | Very low | 27.5 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 84% | 0.835 | 69% | 0.692 | S | S | * | * | trans | -40.4 | 119.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q45 | A43-Q45 PolarHBondContact O-N 3.43Š| ||
| 44 | I | 24.8 | Very low | 29 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 83% | 0.831 | 68% | 0.684 | S | S | * | * | trans | -64.9 | 92.9 | 173.3 | -64.3 | 171.7 | 0 | 0 | 0 | 106.2 | N42 I46 | N42-I44 PolarHBondContact O-N 2.88Å; N42-I44 VanDerWaalsContact O-N 3.08Å; I44-I46 PolarHBondContact O-N 3.4Å | ||
| 45 | Q | 22.9 | Very low | 30.7 | Very low | 159 Ų | 159 | 118.9 Ų | 118.9 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | trans | -56.9 | 107.6 | 158 | -89.4 | 178.4 | -24 | 0 | 0 | 106.8 | A43 P47 | A43-Q45 PolarHBondContact O-N 3.43Å; Q45-P47 WeakPolarHBondContact O-CD 3.24Å; Q45-P47 VanDerWaalsContact O-N 3.14Å | ||
| 46 | I | 24.3 | Very low | 32.6 | Very low | 143 Ų | 143 | 117.9 Ų | 117.9 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | trans | -47.2 | 119.6 | 158.1 | -60.7 | 168.4 | 0 | 0 | 0 | 105.5 | I44 Q48 | I44-I46 PolarHBondContact O-N 3.4Å; I46-Q48 PolarHBondContact O-N 2.72Å | ||
| 47 | P | 23.9 | Very low | 34.5 | Very low | 118 Ų | 118 | 115.9 Ų | 115.9 | 77% | 0.766 | 65% | 0.648 | S | S | * | * | trans | -70.6 | 87.5 | -178.1 | 27.5 | -31.1 | 0 | 0 | 0 | 108 | Q45 | Q45-P47 WeakPolarHBondContact O-CD 3.24Å; Q45-P47 VanDerWaalsContact O-N 3.14Å | ||
| 48 | Q | 24.7 | Very low | 36.6 | Very low | 126 Ų | 126 | 109 Ų | 109 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | trans | -55.2 | 136.1 | 156.5 | -77.1 | -169.8 | -22.2 | 0 | 0 | 106.7 | I46 Q50 | I46-Q48 PolarHBondContact O-N 2.72Å; Q48-Q50 VanDerWaalsContact C-N 3.26Å; Q48-Q50 PolarHBondContact O-N 2.85Å | ||
| 49 | P | 28.8 | Very low | 38.7 | Very low | 115 Ų | 115 | 107 Ų | 107 | 75% | 0.747 | 59% | 0.592 | S | S | * | * | trans | -64.3 | 92.7 | 177.8 | 25.9 | -30.9 | 0 | 0 | 0 | 108.6 | F51 | P49-F51 PolarHBondContact O-N 3.44Š| ||
| 50 | Q | 28.9 | Very low | 41.2 | Very low | 166 Ų | 166 | 106 Ų | 106 | 78% | 0.776 | 59% | 0.589 | S | S | * | * | trans | -72.7 | 65.6 | 170.4 | -73.6 | -172.2 | -16.3 | 0 | 0 | 109 | Q48 | Q48-Q50 VanDerWaalsContact C-N 3.26Å; Q48-Q50 PolarHBondContact O-N 2.85Å | ||
| 51 | F | 36.1 | Very low | 43.8 | Very low | 166 Ų | 166 | 103.8 Ų | 103.8 | 73% | 0.728 | 57% | 0.571 | S | S | * | * | trans | -117.6 | 72.2 | 162 | -71.1 | -71.8 | 0 | 0 | 0 | 107.6 | P49 I53 | P49-F51 PolarHBondContact O-N 3.44Å; F51-I53 PolarHBondContact O-N 3.48Å | ||
| 52 | S | 43.7 | Very low | 46.5 | Very low | 113 Ų | 113 | 97.7 Ų | 97.7 | 79% | 0.79 | 54% | 0.539 | S | S | * | . | trans | -69.1 | 91.6 | 156.8 | 54.7 | 0 | 0 | 0 | 0 | 107 | S54 | S52-S54 PolarHBondContact O-N 3.37Š| ||
| 53 | I | 48.1 | Very low | 49.2 | Very low | 42 Ų | 42 | 93 Ų | 93 | 22% | 0.215 | 52% | 0.515 | C | S | . | . | trans | -59.7 | 121.7 | 169.8 | -64.2 | -179.3 | 0 | 0 | 0 | 106.1 | F51 A57 F58 Y161 | F51-I53 PolarHBondContact O-N 3.48Å; I53-A57 HydrophobicContact CG2-CB 3.36Å; I53-F58 HydrophobicContact CG2-CB 4.31Å; I53-Y161 HydrophobicContact CD1-CD1 3.52Å; I53-Y161 HydrophobicContact CD1-CD2 3.62Å; I53-Y161 HydrophobicContact CD1-CE1 3.75Å; I53-Y161 HydrophobicContact CD1-CE2 3.85Å; I53-Y161 HydrophobicContact CD1-CG 3.47Å; I53-Y161 VanDerWaalsContact CD1-CG 3.47Å | ||
| 54 | S | 55.1 | Low | 51.9 | Low | 68 Ų | 68 | 96.8 Ų | 96.8 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | trans | -54.9 | 147.5 | 178.1 | 71.4 | 0 | 0 | 0 | 0 | 110 | S52 Q56 A57 F58 | S52-S54 PolarHBondContact O-N 3.37Å; S54-Q56 PolarHBondContact O-N 3.37Å; S54-A57 WeakPolarHBondContact O-CA 3.29Å; S54-A57 PolarHBondContact O-N 3.5Å; S54-A57 WeakPolarHBondContact OG-CB 3.08Å; S54-A57 PolarHBondContact OG-N 2.91Å; S54-A57 VanDerWaalsContact OG-N 3.12Å; S54-F58 PolarHBondContact O-N 2.99Å | ||
| 55 | S | 58.8 | Low | 54.8 | Low | 43 Ų | 43 | 89.6 Ų | 89.6 | 30% | 0.301 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -46.2 | -34.7 | 174.1 | -174.7 | 0 | 0 | 0 | 0 | 112.3 | F58 S59 C123 | S55-F58 PolarHBondContact O-N 3.04Å; S55-S59 WeakPolarHBondContact O-CB 3.45Å; S55-S59 PolarHBondContact O-N 2.9Å; S55-C123 WeakPolarHBondContact CA-SG 3.18Å; S55-C123 WeakPolarHBondContact CB-SG 3.4Å |
| 56 | Q | 62.4 | Low | 57.9 | Low | 164 Ų | 164 | 82 Ų | 82 | 77% | 0.766 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -70.4 | -42 | 177.3 | -158.9 | 161 | 18 | 0 | 0 | 113.3 | S54 F58 M60 | S54-Q56 PolarHBondContact O-N 3.37Å; Q56-F58 VanDerWaalsContact C-N 3.34Å; Q56-M60 VanDerWaalsContact O-CB 3.27Å; Q56-M60 WeakPolarHBondContact O-CB 3.49Å; Q56-M60 PolarHBondContact O-N 2.82Å |
| 57 | A | 66.6 | Low | 60.8 | Low | 40 Ų | 40 | 79.4 Ų | 79.4 | 33% | 0.331 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.7 | -32.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I53 S54 M60 F61 | I53-A57 HydrophobicContact CG2-CB 3.36Å; S54-A57 WeakPolarHBondContact O-CA 3.29Å; S54-A57 PolarHBondContact O-N 3.5Å; S54-A57 WeakPolarHBondContact OG-CB 3.08Å; S54-A57 PolarHBondContact OG-N 2.91Å; S54-A57 VanDerWaalsContact OG-N 3.12Å; A57-M60 PolarHBondContact O-N 3.46Å; A57-F61 WeakPolarHBondContact O-CB 3.31Å; A57-F61 PolarHBondContact O-N 2.8Å |
| 58 | F | 68 | Low | 63.8 | Low | 1 Ų | 1 | 79 Ų | 79 | 0% | 0.004 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.9 | -49.8 | 171.8 | 176.5 | -108.3 | 0 | 0 | 0 | 111.9 | I53 S54 S55 Q56 M60 F61 L62 L126 L127 L158 H163 | I53-F58 HydrophobicContact CG2-CB 4.31Å; S54-F58 PolarHBondContact O-N 2.99Å; S55-F58 PolarHBondContact O-N 3.04Å; Q56-F58 VanDerWaalsContact C-N 3.34Å; F58-M60 VanDerWaalsContact C-N 3.29Å; F58-M60 PolarHBondContact O-N 3.27Å; F58-F61 WeakPolarHBondContact O-CB 3.38Å; F58-F61 PolarHBondContact O-N 3.33Å; F58-F61 VanDerWaalsContact O-N 3.16Å; F58-L62 HydrophobicContact CD1-CD1 3.81Å; F58-L62 HydrophobicContact CD2-CD1 4.09Å; F58-L62 HydrophobicContact CE1-CD1 3.21Å; F58-L62 HydrophobicContact CE2-CD1 3.55Å; F58-L62 HydrophobicContact CG-CD1 4.22Å; F58-L62 HydrophobicContact CZ-CD1 3.08Å; F58-L62 HydrophobicContact CZ-CG 4.46Å; F58-L62 PolarHBondContact O-N 3.43Å; F58-L126 HydrophobicContact CD1-CD1 4.36Å; F58-L126 HydrophobicContact CE1-CB 4.25Å; F58-L127 HydrophobicContact CE1-CG 4.45Å; F58-L127 HydrophobicContact CE2-CD1 4.12Å; F58-L127 HydrophobicContact CZ-CD1 3.48Å; F58-L127 VanDerWaalsContact CZ-CD1 3.48Å; F58-L127 HydrophobicContact CZ-CG 3.79Å; F58-L158 HydrophobicContact CD2-CD2 4.45Å; F58-L158 HydrophobicContact CE2-CD2 3.51Å; F58-L158 HydrophobicContact CZ-CD2 4.15Å; F58-H163 HydrophobicContact CD2-CB 4.1Å; F58-H163 AromaticContact CD2-CD2 3.21Å; F58-H163 WeakPolarHBondContact CD2-CD2 3.4Å; F58-H163 AromaticContact CD2-CE1 3.68Å; F58-H163 AromaticContact CD2-CG 3.45Å; F58-H163 VanDerWaalsContact CD2-CG 3.45Å; F58-H163 AromaticContact CD2-ND1 3.73Å; F58-H163 AromaticContact CD2-NE2 3.36Å; F58-H163 WeakPolarHBondContact CD2-NE2 3.44Å; F58-H163 HydrophobicContact CE2-CB 3.4Å; F58-H163 VanDerWaalsContact CE2-CB 3.4Å; F58-H163 AromaticContact CE2-CD2 3.38Å; F58-H163 WeakPolarHBondContact CE2-CD2 3.31Å; F58-H163 AromaticContact CE2-CG 3.29Å; F58-H163 AromaticContact CE2-ND1 3.9Å; F58-H163 HydrophobicContact CZ-CB 3.95Å |
| 59 | S | 68.7 | Low | 66.7 | Low | 29 Ų | 29 | 73.1 Ų | 73.1 | 20% | 0.203 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | S55 F61 L62 T63 | S55-S59 WeakPolarHBondContact O-CB 3.45Å; S55-S59 PolarHBondContact O-N 2.9Å; S59-F61 PolarHBondContact O-N 2.94Å; S59-L62 PolarHBondContact O-N 2.66Å; S59-T63 WeakPolarHBondContact O-CB 3.22Å; S59-T63 PolarHBondContact O-N 3.06Å; S59-T63 PolarHBondContact O-OG1 3.46Å |
| 60 | M | 75.8 | Confident | 69.3 | Low | 127 Ų | 127 | 69 Ų | 69 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 175.1 | -169.2 | -176.9 | -172.3 | 0 | 0 | 112.1 | Q56 A57 F58 R64 | Q56-M60 VanDerWaalsContact O-CB 3.27Å; Q56-M60 WeakPolarHBondContact O-CB 3.49Å; Q56-M60 PolarHBondContact O-N 2.82Å; A57-M60 PolarHBondContact O-N 3.46Å; F58-M60 VanDerWaalsContact C-N 3.29Å; F58-M60 PolarHBondContact O-N 3.27Å; M60-R64 WeakPolarHBondContact O-CB 3.4Å; M60-R64 PolarHBondContact O-N 2.84Å |
| 61 | F | 81.7 | Confident | 72 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 19% | 0.189 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.6 | -48.8 | 175.8 | 168.5 | -98 | 0 | 0 | 0 | 112.1 | A57 F58 S59 R64 S65 K157 L158 | A57-F61 WeakPolarHBondContact O-CB 3.31Å; A57-F61 PolarHBondContact O-N 2.8Å; F58-F61 WeakPolarHBondContact O-CB 3.38Å; F58-F61 PolarHBondContact O-N 3.33Å; F58-F61 VanDerWaalsContact O-N 3.16Å; S59-F61 PolarHBondContact O-N 2.94Å; F61-R64 PolarHBondContact O-N 3.29Å; F61-S65 WeakPolarHBondContact CE2-OG 3.32Å; F61-S65 VanDerWaalsContact O-CB 3.29Å; F61-S65 WeakPolarHBondContact O-CB 3.2Å; F61-S65 PolarHBondContact O-N 3.31Å; F61-S65 PolarHBondContact O-OG 3.43Å; F61-K157 HydrophobicContact CE1-CB 4.34Å; F61-K157 HydrophobicContact CE2-CB 4.05Å; F61-K157 HydrophobicContact CE2-CD 3.57Å; F61-K157 HydrophobicContact CE2-CG 4.45Å; F61-K157 HydrophobicContact CZ-CB 3.59Å; F61-K157 HydrophobicContact CZ-CD 3.86Å; F61-K157 HydrophobicContact CZ-CG 4.38Å; F61-L158 HydrophobicContact CD1-CD2 4.07Å; F61-L158 HydrophobicContact CE1-CD2 3.7Å; F61-L158 HydrophobicContact CE1-CG 3.95Å |
| 62 | L | 80.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 177.6 | -102.2 | 137 | 0 | 0 | 0 | 111.4 | F58 S59 R64 S65 I66 L94 L132 F136 L158 | F58-L62 HydrophobicContact CD1-CD1 3.81Å; F58-L62 HydrophobicContact CD2-CD1 4.09Å; F58-L62 HydrophobicContact CE1-CD1 3.21Å; F58-L62 HydrophobicContact CE2-CD1 3.55Å; F58-L62 HydrophobicContact CG-CD1 4.22Å; F58-L62 HydrophobicContact CZ-CD1 3.08Å; F58-L62 HydrophobicContact CZ-CG 4.46Å; F58-L62 PolarHBondContact O-N 3.43Å; S59-L62 PolarHBondContact O-N 2.66Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 3.49Å; L62-S65 PolarHBondContact O-N 2.89Å; L62-I66 HydrophobicContact CD2-CD1 3.94Å; L62-I66 WeakPolarHBondContact O-CB 3.48Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.22Å; L62-I66 PolarHBondContact O-N 2.88Å; L62-L94 HydrophobicContact CB-CD1 3.84Å; L62-L94 HydrophobicContact CB-CD2 4.18Å; L62-L94 HydrophobicContact CD2-CD1 4.45Å; L62-L132 HydrophobicContact CD2-CB 4.42Å; L62-F136 HydrophobicContact CD2-CE2 3.88Å; L62-F136 HydrophobicContact CD2-CZ 4.3Å; L62-L158 HydrophobicContact CD1-CD2 4.37Å |
| 63 | T | 82.4 | Confident | 76 | Confident | 26 Ų | 26 | 63 Ų | 63 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.7 | -51.5 | 177.3 | -59.9 | 0 | 0 | 0 | 0 | 110 | S59 S65 I66 E67 L91 | S59-T63 WeakPolarHBondContact O-CB 3.22Å; S59-T63 PolarHBondContact O-N 3.06Å; S59-T63 PolarHBondContact O-OG1 3.46Å; T63-S65 VanDerWaalsContact C-N 3.34Å; T63-S65 PolarHBondContact O-N 3.11Å; T63-I66 PolarHBondContact O-N 3.16Å; T63-E67 HydrophobicContact CG2-CG 4.31Å; T63-E67 VanDerWaalsContact O-CB 3.22Å; T63-E67 WeakPolarHBondContact O-CB 3.27Å; T63-E67 WeakPolarHBondContact O-CG 3.2Å; T63-E67 PolarHBondContact O-N 3.11Å; T63-L91 HydrophobicContact CG2-CD2 3.88Å |
| 64 | R | 84.3 | Confident | 77.5 | Confident | 181 Ų | 181 | 63.8 Ų | 63.8 | 68% | 0.683 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.7 | -36.2 | -179 | -168.9 | 173.8 | -175.4 | 168.6 | 1.6 | 113 | M60 F61 L62 K68 | M60-R64 WeakPolarHBondContact O-CB 3.4Å; M60-R64 PolarHBondContact O-N 2.84Å; F61-R64 PolarHBondContact O-N 3.29Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 3.49Å; R64-K68 VanDerWaalsContact O-CB 3.24Å; R64-K68 WeakPolarHBondContact O-CB 3.33Å; R64-K68 PolarHBondContact O-N 3.42Å |
| 65 | S | 85.5 | Confident | 78.5 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 8% | 0.077 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.1 | -43.1 | 179.5 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | F61 L62 T63 K68 I69 S154 | F61-S65 WeakPolarHBondContact CE2-OG 3.32Å; F61-S65 VanDerWaalsContact O-CB 3.29Å; F61-S65 WeakPolarHBondContact O-CB 3.2Å; F61-S65 PolarHBondContact O-N 3.31Å; F61-S65 PolarHBondContact O-OG 3.43Å; L62-S65 PolarHBondContact O-N 2.89Å; T63-S65 VanDerWaalsContact C-N 3.34Å; T63-S65 PolarHBondContact O-N 3.11Å; S65-K68 WeakPolarHBondContact O-CB 3.39Å; S65-K68 PolarHBondContact O-N 2.8Å; S65-I69 WeakPolarHBondContact O-CG1 3.36Å; S65-I69 PolarHBondContact O-N 3.31Å; S65-S154 WeakPolarHBondContact CB-OG 3.1Å |
| 66 | I | 86.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69 | -41.1 | 176 | -63.9 | 165.1 | 0 | 0 | 0 | 110.4 | L62 T63 K68 I69 A70 C87 A90 L91 L94 F136 | L62-I66 HydrophobicContact CD2-CD1 3.94Å; L62-I66 WeakPolarHBondContact O-CB 3.48Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.22Å; L62-I66 PolarHBondContact O-N 2.88Å; T63-I66 PolarHBondContact O-N 3.16Å; I66-K68 VanDerWaalsContact C-N 3.3Å; I66-K68 PolarHBondContact O-N 3.34Å; I66-I69 PolarHBondContact O-N 2.81Å; I66-A70 VanDerWaalsContact O-CB 3.31Å; I66-A70 WeakPolarHBondContact O-CB 3.44Å; I66-A70 PolarHBondContact O-N 3.24Å; I66-C87 HydrophobicContact CG2-CB 3.68Å; I66-A90 HydrophobicContact CD1-CB 3.82Å; I66-L91 HydrophobicContact CB-CD2 4.14Å; I66-L91 HydrophobicContact CB-CG 4.34Å; I66-L91 HydrophobicContact CG2-CD1 4.05Å; I66-L91 HydrophobicContact CG2-CD2 4.06Å; I66-L91 HydrophobicContact CG2-CG 3.7Å; I66-L94 HydrophobicContact CD1-CD1 3.8Å; I66-F136 HydrophobicContact CD1-CE2 4.37Å; I66-F136 HydrophobicContact CD1-CZ 4.32Å; I66-F136 HydrophobicContact CG1-CE1 4.28Å; I66-F136 HydrophobicContact CG1-CE2 4.12Å; I66-F136 HydrophobicContact CG1-CZ 3.67Å |
| 67 | E | 87 | Confident | 79.9 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 41% | 0.411 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 172.8 | -79.1 | 177 | 166.9 | 0 | 0 | 111.4 | T63 A70 S71 L91 | T63-E67 HydrophobicContact CG2-CG 4.31Å; T63-E67 VanDerWaalsContact O-CB 3.22Å; T63-E67 WeakPolarHBondContact O-CB 3.27Å; T63-E67 WeakPolarHBondContact O-CG 3.2Å; T63-E67 PolarHBondContact O-N 3.11Å; E67-A70 PolarHBondContact O-N 3.04Å; E67-S71 WeakPolarHBondContact O-CB 3.5Å; E67-S71 PolarHBondContact O-N 3.43Å; E67-S71 PolarHBondContact O-OG 2.97Å; E67-L91 HydrophobicContact CG-CD1 4.08Å; E67-L91 HydrophobicContact CG-CD2 3.84Å |
| 68 | K | 87.1 | Confident | 80.1 | Confident | 110 Ų | 110 | 66.5 Ų | 66.5 | 48% | 0.478 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 176 | -172.4 | 177.5 | 173 | -166.4 | 0 | 111.2 | R64 S65 I66 S71 T150 | R64-K68 VanDerWaalsContact O-CB 3.24Å; R64-K68 WeakPolarHBondContact O-CB 3.33Å; R64-K68 PolarHBondContact O-N 3.42Å; S65-K68 WeakPolarHBondContact O-CB 3.39Å; S65-K68 PolarHBondContact O-N 2.8Å; I66-K68 VanDerWaalsContact C-N 3.3Å; I66-K68 PolarHBondContact O-N 3.34Å; K68-S71 PolarHBondContact O-N 3.34Å; K68-S71 PolarHBondContact O-OG 3.26Å; K68-T150 HydrophobicContact CB-CG2 4.47Å; K68-T150 HydrophobicContact CD-CG2 3.68Å; K68-T150 HydrophobicContact CG-CG2 4.05Å |
| 69 | I | 85.3 | Confident | 80.5 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 174.7 | -67.7 | 168.7 | 0 | 0 | 0 | 110.6 | S65 I66 S71 E72 T75 V83 F136 A139 I147 T150 A151 | S65-I69 WeakPolarHBondContact O-CG1 3.36Å; S65-I69 PolarHBondContact O-N 3.31Å; I66-I69 PolarHBondContact O-N 2.81Å; I69-S71 VanDerWaalsContact C-N 3.29Å; I69-S71 PolarHBondContact O-N 2.95Å; I69-E72 PolarHBondContact O-N 3.06Å; I69-T75 HydrophobicContact CG2-CG2 4.43Å; I69-T75 WeakPolarHBondContact O-CG2 2.96Å; I69-V83 HydrophobicContact CG2-CG1 4.38Å; I69-F136 HydrophobicContact CD1-CD1 3.59Å; I69-F136 HydrophobicContact CD1-CE1 3.73Å; I69-A139 HydrophobicContact CD1-CB 4.17Å; I69-A139 HydrophobicContact CG2-CB 4.1Å; I69-I147 HydrophobicContact CG2-CG2 4.19Å; I69-T150 HydrophobicContact CG1-CG2 4.11Å; I69-A151 HydrophobicContact CD1-CB 4.25Å |
| 70 | A | 83.6 | Confident | 80.9 | Confident | 30 Ų | 30 | 72.6 Ų | 72.6 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -31.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | I66 E67 E72 T75 C87 | I66-A70 VanDerWaalsContact O-CB 3.31Å; I66-A70 WeakPolarHBondContact O-CB 3.44Å; I66-A70 PolarHBondContact O-N 3.24Å; E67-A70 PolarHBondContact O-N 3.04Å; A70-E72 VanDerWaalsContact C-N 3.3Å; A70-E72 PolarHBondContact O-N 3.13Å; A70-T75 PolarHBondContact O-OG1 3.42Å; A70-C87 HydrophobicContact CB-CB 4.04Å |
| 71 | S | 83.7 | Confident | 81 | Confident | 75 Ų | 75 | 70.1 Ų | 70.1 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.2 | -21.9 | 180 | 73.8 | 0 | 0 | 0 | 0 | 113.8 | E67 K68 I69 | E67-S71 WeakPolarHBondContact O-CB 3.5Å; E67-S71 PolarHBondContact O-N 3.43Å; E67-S71 PolarHBondContact O-OG 2.97Å; K68-S71 PolarHBondContact O-N 3.34Å; K68-S71 PolarHBondContact O-OG 3.26Å; I69-S71 VanDerWaalsContact C-N 3.29Å; I69-S71 PolarHBondContact O-N 2.95Å |
| 72 | E | 84.5 | Confident | 80.9 | Confident | 52 Ų | 52 | 71 Ų | 71 | 24% | 0.243 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -67 | 138.1 | -175.3 | -158.1 | 65.6 | -161.7 | 0 | 0 | 111.3 | I69 A70 E74 T75 I147 | I69-E72 PolarHBondContact O-N 3.06Å; A70-E72 VanDerWaalsContact C-N 3.3Å; A70-E72 PolarHBondContact O-N 3.13Å; E72-E74 PolarHBondContact O-N 3.32Å; E72-E74 VanDerWaalsContact O-N 3.11Å; E72-T75 PolarHBondContact O-N 3.23Å; E72-T75 VanDerWaalsContact O-N 3.16Å; E72-T75 PolarHBondContact O-OG1 2.98Å; E72-I147 HydrophobicContact CB-CD1 3.95Å; E72-I147 HydrophobicContact CB-CG1 3.87Å; E72-I147 HydrophobicContact CG-CD1 3.91Å; E72-I147 HydrophobicContact CG-CG1 3.62Å |
| 73 | R | 80.1 | Confident | 81 | Confident | 192 Ų | 192 | 71.3 Ų | 71.3 | 73% | 0.725 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -59.7 | -31.2 | -170.6 | -169.6 | 179.1 | 178.8 | -173.3 | 0.4 | 113.5 | T75 R76 | R73-T75 VanDerWaalsContact C-N 3.33Å; R73-T75 PolarHBondContact O-N 3.41Å; R73-R76 PolarHBondContact O-N 3.2Å |
| 74 | E | 79.2 | Confident | 80.9 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -65.1 | -29.1 | 179.8 | -102.9 | 77.8 | -131.7 | 0 | 0 | 114.4 | E72 R76 K77 N80 M142 S144 I147 | E72-E74 PolarHBondContact O-N 3.32Å; E72-E74 VanDerWaalsContact O-N 3.11Å; E74-R76 PolarHBondContact O-N 2.95Å; E74-K77 PolarHBondContact O-N 2.81Å; E74-K77 IonicContact OE1-NZ 2.8Å; E74-K77 PolarHBondContact OE1-NZ 2.87Å; E74-N80 PolarHBondContact O-ND2 3.37Å; E74-M142 HydrophobicContact CB-CE 4.11Å; E74-S144 PolarHBondContact OE2-OG 2.89Å; E74-I147 HydrophobicContact CB-CD1 3.6Å |
| 75 | T | 76.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -70.5 | -19.7 | -177.6 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | I69 A70 E72 R73 K77 M142 I147 | I69-T75 HydrophobicContact CG2-CG2 4.43Å; I69-T75 WeakPolarHBondContact O-CG2 2.96Å; A70-T75 PolarHBondContact O-OG1 3.42Å; E72-T75 PolarHBondContact O-N 3.23Å; E72-T75 VanDerWaalsContact O-N 3.16Å; E72-T75 PolarHBondContact O-OG1 2.98Å; R73-T75 VanDerWaalsContact C-N 3.33Å; R73-T75 PolarHBondContact O-N 3.41Å; T75-K77 VanDerWaalsContact C-N 3.31Å; T75-K77 PolarHBondContact O-N 3.41Å; T75-M142 HydrophobicContact CG2-CE 4.44Å; T75-M142 HydrophobicContact CG2-SD 4.48Å; T75-I147 HydrophobicContact CG2-CD1 3.83Å |
| 76 | R | 74.7 | Confident | 80.8 | Confident | 172 Ų | 172 | 71 Ų | 71 | 65% | 0.649 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -78.2 | -11 | 177.6 | -72.2 | -178.7 | -91.1 | -172.8 | -9.4 | 114 | R73 E74 | R73-R76 PolarHBondContact O-N 3.2Å; E74-R76 PolarHBondContact O-N 2.95Å |
| 77 | K | 75.1 | Confident | 80.7 | Confident | 94 Ų | 94 | 71 Ų | 71 | 41% | 0.409 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -74.8 | 136.1 | 179 | -64.2 | 175.5 | 178.5 | 165.1 | 0 | 109.5 | E74 T75 H79 N80 | E74-K77 PolarHBondContact O-N 2.81Å; E74-K77 IonicContact OE1-NZ 2.8Å; E74-K77 PolarHBondContact OE1-NZ 2.87Å; T75-K77 VanDerWaalsContact C-N 3.31Å; T75-K77 PolarHBondContact O-N 3.41Å; K77-H79 PolarHBondContact O-N 3.16Å; K77-H79 VanDerWaalsContact O-N 3.11Å; K77-N80 PolarHBondContact O-N 2.77Å |
| 78 | S | 72.4 | Confident | 80.7 | Confident | 106 Ų | 106 | 71.3 Ų | 71.3 | 74% | 0.741 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -54.6 | -33.7 | -172 | 54 | 0 | 0 | 0 | 0 | 114.9 | N80 S81 | S78-N80 PolarHBondContact O-N 3.48Å; S78-S81 VanDerWaalsContact O-CB 3.24Å; S78-S81 WeakPolarHBondContact O-CB 3.38Å; S78-S81 PolarHBondContact O-N 3.4Å; S78-S81 PolarHBondContact O-OG 3.16Å |
| 79 | H | 74.9 | Confident | 80.6 | Confident | 137 Ų | 137 | 69.6 Ų | 69.6 | 63% | 0.634 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -68.4 | -17.8 | 176.7 | 66.7 | -91.1 | 0 | 0 | 0 | 113.9 | K77 | K77-H79 PolarHBondContact O-N 3.16Å; K77-H79 VanDerWaalsContact O-N 3.11Å |
| 80 | N | 77.2 | Confident | 80.4 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 11% | 0.112 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -100.9 | 14.7 | 175.8 | -60.7 | -39.2 | 0 | 0 | 0 | 112.4 | E74 K77 S78 A82 V83 K84 M142 | E74-N80 PolarHBondContact O-ND2 3.37Å; K77-N80 PolarHBondContact O-N 2.77Å; S78-N80 PolarHBondContact O-N 3.48Å; N80-A82 PolarHBondContact O-N 2.91Å; N80-A82 VanDerWaalsContact O-N 3.13Å; N80-V83 PolarHBondContact O-N 3.31Å; N80-K84 PolarHBondContact O-N 2.98Å; N80-M142 HydrophobicContact CB-CE 3.98Å; N80-M142 VanDerWaalsContact CG-CE 3.46Å; N80-M142 WeakPolarHBondContact ND2-CE 3.32Å |
| 81 | S | 77.3 | Confident | 80.4 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 52% | 0.524 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.1 | -32.1 | -177.5 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | S78 K84 K85 | S78-S81 VanDerWaalsContact O-CB 3.24Å; S78-S81 WeakPolarHBondContact O-CB 3.38Å; S78-S81 PolarHBondContact O-N 3.4Å; S78-S81 PolarHBondContact O-OG 3.16Å; S81-K84 PolarHBondContact O-N 2.88Å; S81-K85 WeakPolarHBondContact O-CB 3.24Å; S81-K85 PolarHBondContact O-N 2.91Å |
| 82 | A | 81.6 | Confident | 80.3 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N80 K85 A86 L138 | N80-A82 PolarHBondContact O-N 2.91Å; N80-A82 VanDerWaalsContact O-N 3.13Å; A82-K85 PolarHBondContact O-N 3.17Å; A82-A86 WeakPolarHBondContact O-CB 3.39Å; A82-A86 PolarHBondContact O-N 2.89Å; A82-L138 HydrophobicContact CB-CD1 4.48Å |
| 83 | V | 82.9 | Confident | 79.9 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 177.6 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | I69 N80 A86 C87 L138 M142 | I69-V83 HydrophobicContact CG2-CG1 4.38Å; N80-V83 PolarHBondContact O-N 3.31Å; V83-A86 PolarHBondContact O-N 3.48Å; V83-C87 PolarHBondContact O-N 2.92Å; V83-C87 PolarHBondContact O-SG 3.14Å; V83-L138 HydrophobicContact CB-CB 4.4Å; V83-L138 HydrophobicContact CG2-CB 3.64Å; V83-M142 HydrophobicContact CB-SD 4.19Å; V83-M142 HydrophobicContact CG1-SD 3.91Å; V83-M142 HydrophobicContact CG2-CG 3.97Å; V83-M142 HydrophobicContact CG2-SD 3.75Å |
| 84 | K | 80.3 | Confident | 79.7 | Confident | 79 Ų | 79 | 59 Ų | 59 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 179.6 | -169.1 | -177.8 | -177.4 | -99.7 | 0 | 111.3 | N80 S81 A86 C87 E88 | N80-K84 PolarHBondContact O-N 2.98Å; S81-K84 PolarHBondContact O-N 2.88Å; K84-A86 VanDerWaalsContact C-N 3.33Å; K84-A86 PolarHBondContact O-N 2.94Å; K84-C87 WeakPolarHBondContact O-CB 3.39Å; K84-C87 PolarHBondContact O-N 3.12Å; K84-E88 WeakPolarHBondContact CE-OE1 3.22Å; K84-E88 IonicContact NZ-OE1 2.65Å; K84-E88 PolarHBondContact NZ-OE1 2.84Å; K84-E88 WeakPolarHBondContact O-CG 3.09Å; K84-E88 PolarHBondContact O-N 3.26Å |
| 85 | K | 83.3 | Confident | 79.4 | Confident | 128 Ų | 128 | 63 Ų | 63 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.8 | -43.8 | 177 | -177.3 | 174.6 | 174.2 | 178.6 | 0 | 111.4 | S81 A82 C87 E88 E89 | S81-K85 WeakPolarHBondContact O-CB 3.24Å; S81-K85 PolarHBondContact O-N 2.91Å; A82-K85 PolarHBondContact O-N 3.17Å; K85-C87 PolarHBondContact O-N 3.34Å; K85-E88 PolarHBondContact O-N 3.19Å; K85-E89 WeakPolarHBondContact CE-OE1 3.43Å; K85-E89 WeakPolarHBondContact CG-OE1 3.42Å; K85-E89 WeakPolarHBondContact O-CB 3.24Å; K85-E89 VanDerWaalsContact O-CG 3.32Å; K85-E89 WeakPolarHBondContact O-CG 3.29Å; K85-E89 PolarHBondContact O-N 3.38Å |
| 86 | A | 83.4 | Confident | 78.9 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A82 V83 K84 E89 A90 R134 P135 L138 | A82-A86 WeakPolarHBondContact O-CB 3.39Å; A82-A86 PolarHBondContact O-N 2.89Å; V83-A86 PolarHBondContact O-N 3.48Å; K84-A86 VanDerWaalsContact C-N 3.33Å; K84-A86 PolarHBondContact O-N 2.94Å; A86-E89 PolarHBondContact O-N 3.27Å; A86-A90 WeakPolarHBondContact O-CB 3.43Å; A86-A90 PolarHBondContact O-N 2.82Å; A86-R134 HydrophobicContact CB-CG 4.44Å; A86-P135 HydrophobicContact CB-CB 4.46Å; A86-P135 HydrophobicContact CB-CG 4.19Å; A86-P135 WeakPolarHBondContact O-CG 3.49Å; A86-L138 HydrophobicContact CB-CD1 3.87Å |
| 87 | C | 85.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 175.9 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | I66 A70 V83 K84 K85 A90 L91 | I66-C87 HydrophobicContact CG2-CB 3.68Å; A70-C87 HydrophobicContact CB-CB 4.04Å; V83-C87 PolarHBondContact O-N 2.92Å; V83-C87 PolarHBondContact O-SG 3.14Å; K84-C87 WeakPolarHBondContact O-CB 3.39Å; K84-C87 PolarHBondContact O-N 3.12Å; K85-C87 PolarHBondContact O-N 3.34Å; C87-A90 PolarHBondContact O-N 2.9Å; C87-L91 WeakPolarHBondContact O-CB 3.48Å; C87-L91 WeakPolarHBondContact O-CG 3.49Å; C87-L91 PolarHBondContact O-N 3.13Å |
| 88 | E | 85.6 | Confident | 76.8 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 176.5 | -72.7 | 171 | 177.2 | 0 | 0 | 111.4 | K84 K85 A90 L91 V92 | K84-E88 WeakPolarHBondContact CE-OE1 3.22Å; K84-E88 IonicContact NZ-OE1 2.65Å; K84-E88 PolarHBondContact NZ-OE1 2.84Å; K84-E88 WeakPolarHBondContact O-CG 3.09Å; K84-E88 PolarHBondContact O-N 3.26Å; K85-E88 PolarHBondContact O-N 3.19Å; E88-A90 PolarHBondContact O-N 2.98Å; E88-L91 PolarHBondContact O-N 3.34Å; E88-V92 VanDerWaalsContact O-CG2 3.29Å; E88-V92 WeakPolarHBondContact O-CG2 3.47Å; E88-V92 PolarHBondContact O-N 2.83Å |
| 89 | E | 84.7 | Confident | 75.4 | Confident | 73 Ų | 73 | 67.8 Ų | 67.8 | 34% | 0.341 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 176.3 | -75.4 | 172.7 | -175.2 | 0 | 0 | 111.8 | K85 A86 V92 L93 | K85-E89 WeakPolarHBondContact CE-OE1 3.43Å; K85-E89 WeakPolarHBondContact CG-OE1 3.42Å; K85-E89 WeakPolarHBondContact O-CB 3.24Å; K85-E89 VanDerWaalsContact O-CG 3.32Å; K85-E89 WeakPolarHBondContact O-CG 3.29Å; K85-E89 PolarHBondContact O-N 3.38Å; A86-E89 PolarHBondContact O-N 3.27Å; E89-V92 PolarHBondContact O-N 2.69Å; E89-L93 WeakPolarHBondContact O-CG 3.16Å; E89-L93 PolarHBondContact O-N 3.15Å |
| 90 | A | 82.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I66 A86 C87 E88 V92 L93 L94 L132 P135 | I66-A90 HydrophobicContact CD1-CB 3.82Å; A86-A90 WeakPolarHBondContact O-CB 3.43Å; A86-A90 PolarHBondContact O-N 2.82Å; C87-A90 PolarHBondContact O-N 2.9Å; E88-A90 PolarHBondContact O-N 2.98Å; A90-V92 VanDerWaalsContact C-N 3.34Å; A90-L93 PolarHBondContact O-N 3.31Å; A90-L94 WeakPolarHBondContact O-CG 3.41Å; A90-L94 PolarHBondContact O-N 2.8Å; A90-L132 HydrophobicContact CB-CD2 4.03Å; A90-P135 HydrophobicContact CB-CG 3.56Å |
| 91 | L | 83.3 | Confident | 71.7 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 12% | 0.12 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.4 | -32.3 | 175.5 | -73 | 170.5 | 0 | 0 | 0 | 112.6 | T63 I66 E67 C87 E88 K95 | T63-L91 HydrophobicContact CG2-CD2 3.88Å; I66-L91 HydrophobicContact CB-CD2 4.14Å; I66-L91 HydrophobicContact CB-CG 4.34Å; I66-L91 HydrophobicContact CG2-CD1 4.05Å; I66-L91 HydrophobicContact CG2-CD2 4.06Å; I66-L91 HydrophobicContact CG2-CG 3.7Å; E67-L91 HydrophobicContact CG-CD1 4.08Å; E67-L91 HydrophobicContact CG-CD2 3.84Å; C87-L91 WeakPolarHBondContact O-CB 3.48Å; C87-L91 WeakPolarHBondContact O-CG 3.49Å; C87-L91 PolarHBondContact O-N 3.13Å; E88-L91 PolarHBondContact O-N 3.34Å; L91-K95 WeakPolarHBondContact O-CB 3.27Å; L91-K95 VanDerWaalsContact O-CG 3.24Å; L91-K95 WeakPolarHBondContact O-CG 3.47Å; L91-K95 PolarHBondContact O-N 3.2Å; L91-K95 VanDerWaalsContact O-N 3.15Å |
| 92 | V | 81.7 | Confident | 69.5 | Low | 74 Ų | 74 | 76.9 Ų | 76.9 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.5 | -48.2 | 172.3 | 169.5 | 0 | 0 | 0 | 0 | 110 | E88 E89 A90 L94 K95 E96 | E88-V92 VanDerWaalsContact O-CG2 3.29Å; E88-V92 WeakPolarHBondContact O-CG2 3.47Å; E88-V92 PolarHBondContact O-N 2.83Å; E89-V92 PolarHBondContact O-N 2.69Å; A90-V92 VanDerWaalsContact C-N 3.34Å; V92-L94 VanDerWaalsContact C-N 3.34Å; V92-L94 PolarHBondContact O-N 2.94Å; V92-K95 PolarHBondContact O-N 2.7Å; V92-K95 VanDerWaalsContact O-N 3.1Å; V92-E96 HydrophobicContact CG1-CG 4.32Å; V92-E96 WeakPolarHBondContact O-CG 3.23Å; V92-E96 PolarHBondContact O-N 3.39Å |
| 93 | L | 75.3 | Confident | 67.1 | Low | 25 Ų | 25 | 78.7 Ų | 78.7 | 13% | 0.131 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 177.7 | -70.7 | 169.6 | 0 | 0 | 0 | 112.4 | E89 A90 K95 E96 Q97 R131 L132 | E89-L93 WeakPolarHBondContact O-CG 3.16Å; E89-L93 PolarHBondContact O-N 3.15Å; A90-L93 PolarHBondContact O-N 3.31Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 PolarHBondContact O-N 3.09Å; L93-E96 PolarHBondContact O-N 3.37Å; L93-Q97 WeakPolarHBondContact O-CG 3.46Å; L93-Q97 PolarHBondContact O-N 3.17Å; L93-R131 HydrophobicContact CD1-CB 3.65Å; L93-R131 HydrophobicContact CD1-CG 4.44Å; L93-L132 HydrophobicContact CB-CD2 4.09Å; L93-L132 HydrophobicContact CD1-CD2 4.38Å |
| 94 | L | 75.8 | Confident | 64.6 | Low | 7 Ų | 7 | 84.1 Ų | 84.1 | 4% | 0.037 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.4 | -29 | 178 | -71.6 | 164.8 | 0 | 0 | 0 | 113.1 | L62 I66 A90 V92 L132 | L62-L94 HydrophobicContact CB-CD1 3.84Å; L62-L94 HydrophobicContact CB-CD2 4.18Å; L62-L94 HydrophobicContact CD2-CD1 4.45Å; I66-L94 HydrophobicContact CD1-CD1 3.8Å; A90-L94 WeakPolarHBondContact O-CG 3.41Å; A90-L94 PolarHBondContact O-N 2.8Å; V92-L94 VanDerWaalsContact C-N 3.34Å; V92-L94 PolarHBondContact O-N 2.94Å; L94-L132 HydrophobicContact CD1-CD2 4.28Å; L94-L132 HydrophobicContact CD2-CD1 4.3Å; L94-L132 HydrophobicContact CD2-CD2 4.21Å; L94-L132 HydrophobicContact CG-CD2 3.85Å |
| 95 | K | 73.7 | Confident | 61.9 | Low | 140 Ų | 140 | 89.6 Ų | 89.6 | 61% | 0.609 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -81.7 | -31.1 | 177.8 | -77 | 175.5 | -178.2 | 178.3 | 0 | 113.6 | L91 V92 L93 P98 | L91-K95 WeakPolarHBondContact O-CB 3.27Å; L91-K95 VanDerWaalsContact O-CG 3.24Å; L91-K95 WeakPolarHBondContact O-CG 3.47Å; L91-K95 PolarHBondContact O-N 3.2Å; L91-K95 VanDerWaalsContact O-N 3.15Å; V92-K95 PolarHBondContact O-N 2.7Å; V92-K95 VanDerWaalsContact O-N 3.1Å; L93-K95 VanDerWaalsContact C-N 3.29Å; L93-K95 PolarHBondContact O-N 3.09Å; K95-P98 WeakPolarHBondContact O-CD 3.49Å |
| 96 | E | 65.5 | Low | 59.1 | Low | 137 Ų | 137 | 90.9 Ų | 90.9 | 64% | 0.64 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -79.8 | -21.8 | -179 | -73 | -178.3 | 168 | 0 | 0 | 113.3 | V92 L93 P98 | V92-E96 HydrophobicContact CG1-CG 4.32Å; V92-E96 WeakPolarHBondContact O-CG 3.23Å; V92-E96 PolarHBondContact O-N 3.39Å; L93-E96 PolarHBondContact O-N 3.37Å; E96-P98 WeakPolarHBondContact O-CD 3.33Å |
| 97 | Q | 57.7 | Low | 56.4 | Low | 68 Ų | 68 | 96.4 Ų | 96.4 | 32% | 0.318 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -72.6 | -8.2 | -175 | -82.8 | 177.8 | -15.3 | 0 | 0 | 119.7 | L93 Q99 L126 | L93-Q97 WeakPolarHBondContact O-CG 3.46Å; L93-Q97 PolarHBondContact O-N 3.17Å; Q97-Q99 PolarHBondContact O-N 3.4Å; Q97-Q99 VanDerWaalsContact O-N 3.08Å; Q97-L126 VanDerWaalsContact NE2-CD2 3.34Å |
| 98 | P | 49.4 | Very low | 53.5 | Low | 100 Ų | 100 | 101.1 Ų | 101.1 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -67.3 | -7.2 | 178.9 | -19.1 | 30.7 | 0 | 0 | 0 | 116 | K95 E96 | K95-P98 WeakPolarHBondContact O-CD 3.49Å; E96-P98 WeakPolarHBondContact O-CD 3.33Å |
| 99 | Q | 42.2 | Very low | 50.6 | Low | 170 Ų | 170 | 102.6 Ų | 102.6 | 79% | 0.794 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -103.2 | -10.8 | -171.5 | -73.4 | -103.9 | -21 | 0 | 0 | 115.9 | Q97 | Q97-Q99 PolarHBondContact O-N 3.4Å; Q97-Q99 VanDerWaalsContact O-N 3.08Å |
| 100 | V | 41 | Very low | 47.8 | Very low | 118 Ų | 118 | 106.6 Ų | 106.6 | 72% | 0.715 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -100.6 | -6.2 | -171.4 | -176.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 101 | L | 32.2 | Very low | 45 | Very low | 141 Ų | 141 | 115.4 Ų | 115.4 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 8.5 | 179.6 | -79.1 | 166.6 | 0 | 0 | 0 | 115.5 | ||
| 102 | L | 32.1 | Very low | 42.3 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 86% | 0.859 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 1.7 | 179 | -86.6 | 166.4 | 0 | 0 | 0 | 115.5 | ||
| 103 | S | 32 | Very low | 39.6 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | trans | -124.6 | 68.1 | -177.2 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 104 | S | 28.5 | Very low | 37.2 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 71% | 0.714 | S | S | * | * | trans | -146.2 | 64.5 | 157.1 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 105 | K | 23.8 | Very low | 34.9 | Very low | 195 Ų | 195 | 138.9 Ų | 138.9 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -90.6 | 126.5 | 168.2 | -115.2 | -176.6 | -179.4 | 178.5 | 0 | 109.2 | ||||
| 106 | L | 24.6 | Very low | 32.4 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | 78 | 110.3 | 163.2 | -74.6 | 94.1 | 0 | 0 | 0 | 119.5 | ||||
| 107 | S | 27.1 | Very low | 30.5 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | -148.6 | 117.8 | 106.5 | 59.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 108 | S | 25.3 | Very low | 29.1 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -60.2 | 142.4 | 179.1 | 48.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 109 | T | 24.3 | Very low | 28.2 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | 178.1 | 149 | 109.6 | 33.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 110 | N | 26 | Very low | 27.7 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | 92.7 | 85.3 | 168.6 | -62.5 | -3.8 | 0 | 0 | 0 | 117.1 | ||||
| 111 | E | 24.6 | Very low | 27.6 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -46.7 | 129.4 | 150.4 | -60.9 | 174 | 148.9 | 0 | 0 | 111.1 | ||||
| 112 | F | 25.5 | Very low | 28 | Very low | 208 Ų | 208 | 140.6 Ų | 140.6 | 91% | 0.912 | 78% | 0.78 | S | S | * | * | trans | -158.5 | 114.7 | 137.6 | -110.7 | -78 | 0 | 0 | 0 | 110.4 | ||||
| 113 | S | 24.6 | Very low | 28.7 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | 60.3 | 96.2 | 142.2 | -172.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 114 | T | 26.4 | Very low | 29.4 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | trans | -43 | 122.9 | 157.5 | 43.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 115 | H | 25.5 | Very low | 30.3 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 162.9 | 59.5 | 132.1 | -96.1 | -81.5 | 0 | 0 | 0 | 112.6 | ||
| 116 | L | 21.9 | Very low | 31.6 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 82% | 0.822 | 68% | 0.675 | S | S | * | * | trans | -176.1 | 121 | 148.1 | -127.2 | 80.6 | 0 | 0 | 0 | 107.8 | P118 | L116-P118 WeakPolarHBondContact O-CD 3.29Š| ||
| 117 | P | 26.6 | Very low | 33 | Very low | 120 Ų | 120 | 115 Ų | 115 | 78% | 0.779 | 64% | 0.639 | S | S | * | * | trans | -76.2 | 122.8 | 175.6 | 1.1 | 14.6 | 0 | 0 | 0 | 109.1 | ||||
| 118 | P | 27.8 | Very low | 34.3 | Very low | 106 Ų | 106 | 112.6 Ų | 112.6 | 69% | 0.688 | 62% | 0.622 | S | S | * | * | trans | -64.9 | 136.6 | 177.8 | 25.6 | -31.2 | 0 | 0 | 0 | 110.4 | L116 K120 | L116-P118 WeakPolarHBondContact O-CD 3.29Å; P118-K120 PolarHBondContact O-N 3.03Å | ||
| 119 | L | 29.9 | Very low | 36.1 | Very low | 150 Ų | 150 | 109.6 Ų | 109.6 | 79% | 0.785 | 60% | 0.598 | S | S | * | * | trans | -66 | 63.4 | 169.6 | -74.9 | 165.2 | 0 | 0 | 0 | 110.8 | ||||
| 120 | K | 31.7 | Very low | 38.2 | Very low | 173 Ų | 173 | 106.6 Ų | 106.6 | 75% | 0.752 | 58% | 0.575 | S | S | * | * | trans | -104.2 | 87.8 | 161.9 | -73.9 | -173.3 | 178 | -179.7 | 0 | 106.7 | P118 D122 | P118-K120 PolarHBondContact O-N 3.03Å; K120-D122 VanDerWaalsContact C-N 3.34Å; K120-D122 PolarHBondContact O-N 2.98Å | ||
| 121 | S | 40.3 | Very low | 40.4 | Very low | 74 Ų | 74 | 105 Ų | 105 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | trans | -70 | 96.2 | 168 | 61.5 | 0 | 0 | 0 | 0 | 108.1 | C123 G124 | S121-C123 PolarHBondContact O-N 2.93Å; S121-G124 PolarHBondContact O-N 3.16Å | ||
| 122 | D | 40.4 | Very low | 42.9 | Very low | 130 Ų | 130 | 96.1 Ų | 96.1 | 70% | 0.695 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 0.5 | 174 | -75.4 | -31.1 | 0 | 0 | 0 | 114 | K120 | K120-D122 VanDerWaalsContact C-N 3.34Å; K120-D122 PolarHBondContact O-N 2.98Å |
| 123 | C | 46.2 | Very low | 45.5 | Very low | 17 Ų | 17 | 86.5 Ų | 86.5 | 12% | 0.115 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -17.3 | 174.2 | -66.5 | 0 | 0 | 0 | 0 | 114.5 | S55 S121 I125 L126 | S55-C123 WeakPolarHBondContact CA-SG 3.18Å; S55-C123 WeakPolarHBondContact CB-SG 3.4Å; S121-C123 PolarHBondContact O-N 2.93Å; C123-I125 PolarHBondContact O-N 2.94Å; C123-L126 PolarHBondContact O-N 2.84Å; C123-L126 VanDerWaalsContact O-N 3.14Å |
| 124 | G | 45.8 | Very low | 48.3 | Very low | 12 Ų | 12 | 87.8 Ų | 87.8 | 12% | 0.124 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.5 | -22.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S121 L126 L127 S128 | S121-G124 PolarHBondContact O-N 3.16Å; G124-L126 PolarHBondContact O-N 3.24Å; G124-L127 PolarHBondContact O-N 2.81Å; G124-S128 PolarHBondContact O-OG 3.45Å |
| 125 | I | 48.5 | Very low | 51.1 | Low | 127 Ų | 127 | 81.9 Ų | 81.9 | 65% | 0.651 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.7 | -22.7 | 177.6 | -56.7 | 174.1 | 0 | 0 | 0 | 111.6 | C123 S128 | C123-I125 PolarHBondContact O-N 2.94Å; I125-S128 PolarHBondContact O-OG 3.26Å |
| 126 | L | 50.1 | Low | 54.1 | Low | 27 Ų | 27 | 73.2 Ų | 73.2 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -74.7 | -35.5 | 179.5 | -73 | 178.7 | 0 | 0 | 0 | 113.2 | F58 Q97 C123 G124 S128 L132 | F58-L126 HydrophobicContact CD1-CD1 4.36Å; F58-L126 HydrophobicContact CE1-CB 4.25Å; Q97-L126 VanDerWaalsContact NE2-CD2 3.34Å; C123-L126 PolarHBondContact O-N 2.84Å; C123-L126 VanDerWaalsContact O-N 3.14Å; G124-L126 PolarHBondContact O-N 3.24Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-L132 VanDerWaalsContact O-CD1 3.29Å; L126-L132 WeakPolarHBondContact O-CD1 3.41Å |
| 127 | L | 53.7 | Low | 57.2 | Low | 11 Ų | 11 | 67.5 Ų | 67.5 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -83.1 | -6.4 | -179.7 | -88.8 | 165.6 | 0 | 0 | 0 | 114.1 | F58 G124 D129 L132 L158 H163 I164 | F58-L127 HydrophobicContact CE1-CG 4.45Å; F58-L127 HydrophobicContact CE2-CD1 4.12Å; F58-L127 HydrophobicContact CZ-CD1 3.48Å; F58-L127 VanDerWaalsContact CZ-CD1 3.48Å; F58-L127 HydrophobicContact CZ-CG 3.79Å; G124-L127 PolarHBondContact O-N 2.81Å; L127-D129 PolarHBondContact O-N 2.76Å; L127-D129 VanDerWaalsContact O-N 3.15Å; L127-L132 HydrophobicContact CD2-CB 4.46Å; L127-L158 HydrophobicContact CD1-CD2 4.47Å; L127-H163 HydrophobicContact CD1-CB 3.88Å; L127-H163 WeakPolarHBondContact CD1-O 3.22Å; L127-I164 HydrophobicContact CD1-CG1 4.12Å |
| 128 | S | 55.2 | Low | 59.9 | Low | 71 Ų | 71 | 63.9 Ų | 63.9 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21.6 | 169.6 | -44 | 0 | 0 | 0 | 0 | 111.9 | G124 I125 L126 E130 | G124-S128 PolarHBondContact O-OG 3.45Å; I125-S128 PolarHBondContact O-OG 3.26Å; L126-S128 VanDerWaalsContact C-N 3.33Å; S128-E130 PolarHBondContact O-N 2.94Å |
| 129 | D | 63.4 | Low | 62.8 | Low | 35 Ų | 35 | 58.9 Ų | 58.9 | 19% | 0.187 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -79.9 | 99.7 | 172 | -162.8 | -18.6 | 0 | 0 | 0 | 111 | L127 R131 L132 | L127-D129 PolarHBondContact O-N 2.76Å; L127-D129 VanDerWaalsContact O-N 3.15Å; D129-R131 VanDerWaalsContact CG-NE 3.35Å; D129-R131 PolarHBondContact O-N 3.27Å; D129-R131 WeakPolarHBondContact OD1-CB 3.4Å; D129-R131 VanDerWaalsContact OD1-CG 3.22Å; D129-R131 WeakPolarHBondContact OD1-CG 3.48Å; D129-R131 IonicContact OD1-CZ 3.72Å; D129-R131 PolarHBondContact OD1-N 2.85Å; D129-R131 VanDerWaalsContact OD1-N 3.13Å; D129-R131 IonicContact OD1-NE 2.82Å; D129-R131 PolarHBondContact OD1-NE 3.45Å; D129-R131 IonicContact OD1-NH2 3.75Å; D129-R131 IonicContact OD2-CZ 3.24Å; D129-R131 VanDerWaalsContact OD2-CZ 3.24Å; D129-R131 IonicContact OD2-NE 3.06Å; D129-R131 PolarHBondContact OD2-NE 3.5Å; D129-R131 IonicContact OD2-NH2 2.66Å; D129-R131 PolarHBondContact OD2-NH2 3.07Å; D129-L132 PolarHBondContact O-N 3.14Å |
| 130 | E | 67.6 | Low | 65.5 | Low | 64 Ų | 64 | 51.9 Ų | 51.9 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -49.5 | -23.5 | 175.6 | -70.6 | -176.9 | 161.8 | 0 | 0 | 113 | S128 L132 L133 R134 C170 S171 | S128-E130 PolarHBondContact O-N 2.94Å; E130-L132 VanDerWaalsContact C-N 3.26Å; E130-L132 PolarHBondContact O-N 3.29Å; E130-L133 PolarHBondContact O-N 3.39Å; E130-L133 VanDerWaalsContact O-N 3.16Å; E130-R134 WeakPolarHBondContact O-CB 3.46Å; E130-R134 PolarHBondContact O-N 3.19Å; E130-C170 WeakPolarHBondContact OE1-CA 3.4Å; E130-C170 WeakPolarHBondContact OE1-CB 3.35Å; E130-S171 PolarHBondContact OE1-N 2.84Å; E130-S171 PolarHBondContact OE1-OG 2.88Å; E130-S171 PolarHBondContact OE2-OG 3.21Å |
| 131 | R | 72.3 | Confident | 68 | Low | 122 Ų | 122 | 48 Ų | 48 | 46% | 0.46 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.8 | -25.2 | 177 | -61.2 | 178.1 | -70.1 | 179 | 0.4 | 113.4 | L93 D129 P135 | L93-R131 HydrophobicContact CD1-CB 3.65Å; L93-R131 HydrophobicContact CD1-CG 4.44Å; D129-R131 VanDerWaalsContact CG-NE 3.35Å; D129-R131 PolarHBondContact O-N 3.27Å; D129-R131 WeakPolarHBondContact OD1-CB 3.4Å; D129-R131 VanDerWaalsContact OD1-CG 3.22Å; D129-R131 WeakPolarHBondContact OD1-CG 3.48Å; D129-R131 IonicContact OD1-CZ 3.72Å; D129-R131 PolarHBondContact OD1-N 2.85Å; D129-R131 VanDerWaalsContact OD1-N 3.13Å; D129-R131 IonicContact OD1-NE 2.82Å; D129-R131 PolarHBondContact OD1-NE 3.45Å; D129-R131 IonicContact OD1-NH2 3.75Å; D129-R131 IonicContact OD2-CZ 3.24Å; D129-R131 VanDerWaalsContact OD2-CZ 3.24Å; D129-R131 IonicContact OD2-NE 3.06Å; D129-R131 PolarHBondContact OD2-NE 3.5Å; D129-R131 IonicContact OD2-NH2 2.66Å; D129-R131 PolarHBondContact OD2-NH2 3.07Å; R131-P135 VanDerWaalsContact O-CD 3.23Å; R131-P135 WeakPolarHBondContact O-CD 3.33Å |
| 132 | L | 76.9 | Confident | 70.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -79.9 | -25 | 174.9 | -64.3 | -175.7 | 0 | 0 | 0 | 112.7 | L62 A90 L93 L94 L126 L127 D129 E130 P135 | L62-L132 HydrophobicContact CD2-CB 4.42Å; A90-L132 HydrophobicContact CB-CD2 4.03Å; L93-L132 HydrophobicContact CB-CD2 4.09Å; L93-L132 HydrophobicContact CD1-CD2 4.38Å; L94-L132 HydrophobicContact CD1-CD2 4.28Å; L94-L132 HydrophobicContact CD2-CD1 4.3Å; L94-L132 HydrophobicContact CD2-CD2 4.21Å; L94-L132 HydrophobicContact CG-CD2 3.85Å; L126-L132 VanDerWaalsContact O-CD1 3.29Å; L126-L132 WeakPolarHBondContact O-CD1 3.41Å; L127-L132 HydrophobicContact CD2-CB 4.46Å; D129-L132 PolarHBondContact O-N 3.14Å; E130-L132 VanDerWaalsContact C-N 3.26Å; E130-L132 PolarHBondContact O-N 3.29Å; L132-P135 WeakPolarHBondContact O-CD 3.48Å |
| 133 | L | 81.6 | Confident | 71.9 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -89 | -32.7 | 178.8 | -169.4 | 68.1 | 0 | 0 | 0 | 112.6 | E130 F136 Q137 L155 I177 V181 | E130-L133 PolarHBondContact O-N 3.39Å; E130-L133 VanDerWaalsContact O-N 3.16Å; L133-F136 WeakPolarHBondContact O-CB 3.48Å; L133-F136 PolarHBondContact O-N 2.96Å; L133-Q137 HydrophobicContact CG-CG 4.32Å; L133-Q137 PolarHBondContact O-N 3.17Å; L133-L155 HydrophobicContact CD1-CD2 3.63Å; L133-I177 HydrophobicContact CD2-CG2 3.66Å; L133-V181 HydrophobicContact CD1-CG2 4.04Å; L133-V181 HydrophobicContact CD2-CG2 3.65Å; L133-V181 HydrophobicContact CG-CG2 4.38Å |
| 134 | R | 81.6 | Confident | 73.8 | Confident | 135 Ų | 135 | 48.9 Ų | 48.9 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -50.6 | -39.3 | -179.7 | -167.2 | 176.7 | -171.9 | 164 | 5.4 | 115.2 | A86 E130 F136 Q137 L138 | A86-R134 HydrophobicContact CB-CG 4.44Å; E130-R134 WeakPolarHBondContact O-CB 3.46Å; E130-R134 PolarHBondContact O-N 3.19Å; R134-F136 VanDerWaalsContact C-N 3.3Å; R134-F136 PolarHBondContact O-N 3.43Å; R134-Q137 PolarHBondContact O-N 2.87Å; R134-L138 HydrophobicContact CG-CD1 4.03Å; R134-L138 HydrophobicContact CG-CG 4.32Å; R134-L138 WeakPolarHBondContact O-CG 3.16Å; R134-L138 PolarHBondContact O-N 3.08Å |
| 135 | P | 85.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59 | -41.3 | 176.3 | -22.8 | 32.4 | 0 | 0 | 0 | 112.3 | A86 A90 R131 L132 A139 | A86-P135 HydrophobicContact CB-CB 4.46Å; A86-P135 HydrophobicContact CB-CG 4.19Å; A86-P135 WeakPolarHBondContact O-CG 3.49Å; A90-P135 HydrophobicContact CB-CG 3.56Å; R131-P135 VanDerWaalsContact O-CD 3.23Å; R131-P135 WeakPolarHBondContact O-CD 3.33Å; L132-P135 WeakPolarHBondContact O-CD 3.48Å; P135-A139 WeakPolarHBondContact O-CB 3.39Å; P135-A139 PolarHBondContact O-N 3.35Å |
| 136 | F | 89.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.6 | -44 | 179.1 | -58.7 | -69.6 | 0 | 0 | 0 | 111.4 | L62 I66 I69 L133 R134 L138 A139 C140 S154 L155 L158 | L62-F136 HydrophobicContact CD2-CE2 3.88Å; L62-F136 HydrophobicContact CD2-CZ 4.3Å; I66-F136 HydrophobicContact CD1-CE2 4.37Å; I66-F136 HydrophobicContact CD1-CZ 4.32Å; I66-F136 HydrophobicContact CG1-CE1 4.28Å; I66-F136 HydrophobicContact CG1-CE2 4.12Å; I66-F136 HydrophobicContact CG1-CZ 3.67Å; I69-F136 HydrophobicContact CD1-CD1 3.59Å; I69-F136 HydrophobicContact CD1-CE1 3.73Å; L133-F136 WeakPolarHBondContact O-CB 3.48Å; L133-F136 PolarHBondContact O-N 2.96Å; R134-F136 VanDerWaalsContact C-N 3.3Å; R134-F136 PolarHBondContact O-N 3.43Å; F136-L138 PolarHBondContact O-N 2.89Å; F136-A139 WeakPolarHBondContact O-CB 3.42Å; F136-A139 PolarHBondContact O-N 3.49Å; F136-C140 PolarHBondContact O-N 3.07Å; F136-C140 PolarHBondContact O-SG 2.87Å; F136-S154 VanDerWaalsContact CE1-CB 3.4Å; F136-L155 HydrophobicContact CB-CD1 4.41Å; F136-L155 HydrophobicContact CB-CD2 3.9Å; F136-L155 HydrophobicContact CB-CG 4.1Å; F136-L155 HydrophobicContact CG-CD2 4.34Å; F136-L158 HydrophobicContact CE2-CD1 4.33Å |
| 137 | Q | 85.8 | Confident | 79.2 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 177.2 | -69.9 | 177 | -14.8 | 0 | 0 | 111.9 | L133 R134 C140 Q180 T184 | L133-Q137 HydrophobicContact CG-CG 4.32Å; L133-Q137 PolarHBondContact O-N 3.17Å; R134-Q137 PolarHBondContact O-N 2.87Å; Q137-C140 WeakPolarHBondContact O-CB 3.21Å; Q137-C140 PolarHBondContact O-N 3.5Å; Q137-Q180 VanDerWaalsContact NE2-CD 3.33Å; Q137-T184 HydrophobicContact CB-CG2 4.3Å; Q137-T184 HydrophobicContact CG-CG2 4.15Å |
| 138 | L | 84.5 | Confident | 80.9 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68 | -38.3 | 176.8 | -66.7 | 174.6 | 0 | 0 | 0 | 111.6 | A82 V83 A86 R134 F136 C140 T141 | A82-L138 HydrophobicContact CB-CD1 4.48Å; V83-L138 HydrophobicContact CB-CB 4.4Å; V83-L138 HydrophobicContact CG2-CB 3.64Å; A86-L138 HydrophobicContact CB-CD1 3.87Å; R134-L138 HydrophobicContact CG-CD1 4.03Å; R134-L138 HydrophobicContact CG-CG 4.32Å; R134-L138 WeakPolarHBondContact O-CG 3.16Å; R134-L138 PolarHBondContact O-N 3.08Å; F136-L138 PolarHBondContact O-N 2.89Å; L138-C140 VanDerWaalsContact C-N 3.28Å; L138-C140 PolarHBondContact O-N 3.34Å; L138-T141 PolarHBondContact O-N 3.15Å; L138-T141 VanDerWaalsContact O-N 3.09Å; L138-T141 PolarHBondContact O-OG1 2.68Å |
| 139 | A | 87.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -36.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I69 P135 F136 T141 M142 I147 A151 | I69-A139 HydrophobicContact CD1-CB 4.17Å; I69-A139 HydrophobicContact CG2-CB 4.1Å; P135-A139 WeakPolarHBondContact O-CB 3.39Å; P135-A139 PolarHBondContact O-N 3.35Å; F136-A139 WeakPolarHBondContact O-CB 3.42Å; F136-A139 PolarHBondContact O-N 3.49Å; A139-T141 PolarHBondContact O-N 3.17Å; A139-M142 WeakPolarHBondContact O-CB 3.36Å; A139-M142 PolarHBondContact O-N 2.96Å; A139-M142 VanDerWaalsContact O-N 3.15Å; A139-I147 HydrophobicContact CB-CG2 3.77Å; A139-A151 HydrophobicContact CB-CB 3.69Å |
| 140 | C | 87.5 | Confident | 83.8 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -27.4 | 174.3 | -73.3 | 0 | 0 | 0 | 0 | 113.5 | F136 Q137 L138 M142 T184 C188 | F136-C140 PolarHBondContact O-N 3.07Å; F136-C140 PolarHBondContact O-SG 2.87Å; Q137-C140 WeakPolarHBondContact O-CB 3.21Å; Q137-C140 PolarHBondContact O-N 3.5Å; L138-C140 VanDerWaalsContact C-N 3.28Å; L138-C140 PolarHBondContact O-N 3.34Å; C140-M142 VanDerWaalsContact C-N 3.3Å; C140-T184 HydrophobicContact CB-CG2 3.8Å; C140-C188 VanDerWaalsContact CB-SG 3.53Å |
| 141 | T | 83.6 | Confident | 84.9 | Confident | 92 Ų | 92 | 44.7 Ų | 44.7 | 56% | 0.564 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -5.1 | 176.8 | 68.1 | 0 | 0 | 0 | 0 | 114 | L138 A139 | L138-T141 PolarHBondContact O-N 3.15Å; L138-T141 VanDerWaalsContact O-N 3.09Å; L138-T141 PolarHBondContact O-OG1 2.68Å; A139-T141 PolarHBondContact O-N 3.17Å |
| 142 | M | 84.3 | Confident | 85.8 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 7% | 0.069 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -75.9 | 150.1 | -177.3 | -66 | -170.3 | 63.5 | 0 | 0 | 112.4 | E74 T75 N80 V83 A139 C140 S144 I147 V148 | E74-M142 HydrophobicContact CB-CE 4.11Å; T75-M142 HydrophobicContact CG2-CE 4.44Å; T75-M142 HydrophobicContact CG2-SD 4.48Å; N80-M142 HydrophobicContact CB-CE 3.98Å; N80-M142 VanDerWaalsContact CG-CE 3.46Å; N80-M142 WeakPolarHBondContact ND2-CE 3.32Å; V83-M142 HydrophobicContact CB-SD 4.19Å; V83-M142 HydrophobicContact CG1-SD 3.91Å; V83-M142 HydrophobicContact CG2-CG 3.97Å; V83-M142 HydrophobicContact CG2-SD 3.75Å; A139-M142 WeakPolarHBondContact O-CB 3.36Å; A139-M142 PolarHBondContact O-N 2.96Å; A139-M142 VanDerWaalsContact O-N 3.15Å; C140-M142 VanDerWaalsContact C-N 3.3Å; M142-S144 PolarHBondContact O-N 3.4Å; M142-I147 HydrophobicContact CE-CD1 3.51Å; M142-I147 HydrophobicContact SD-CD1 3.89Å; M142-I147 HydrophobicContact SD-CG2 3.76Å; M142-V148 WeakPolarHBondContact O-CG2 3.11Å |
| 143 | K | 79.5 | Confident | 86.4 | Confident | 212 Ų | 212 | 40.4 Ų | 40.4 | 92% | 0.922 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -74.5 | -6.4 | 176.2 | -64.4 | -174.9 | 178.7 | -177.5 | 0 | 114.6 | P145 | K143-P145 WeakPolarHBondContact O-CD 3.09Š|
| 144 | S | 85.7 | Confident | 86.8 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | trans | -89.3 | 115.6 | -175.6 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | E74 M142 K146 I147 V148 | E74-S144 PolarHBondContact OE2-OG 2.89Å; M142-S144 PolarHBondContact O-N 3.4Å; S144-K146 VanDerWaalsContact C-N 3.3Å; S144-K146 PolarHBondContact O-N 3.29Å; S144-I147 PolarHBondContact O-N 2.93Å; S144-I147 VanDerWaalsContact O-N 3.14Å; S144-V148 WeakPolarHBondContact O-CG2 3.38Å; S144-V148 PolarHBondContact O-N 3.29Å; S144-V148 VanDerWaalsContact O-N 3.07Å | ||
| 145 | P | 85.5 | Confident | 87.2 | Confident | 51 Ų | 51 | 33.8 Ų | 33.8 | 33% | 0.331 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.1 | -36.2 | -177.1 | -26.3 | 35.6 | 0 | 0 | 0 | 114.4 | K143 I147 V148 S149 D195 I198 | K143-P145 WeakPolarHBondContact O-CD 3.09Å; P145-I147 VanDerWaalsContact C-N 3.33Å; P145-I147 PolarHBondContact O-N 2.94Å; P145-V148 PolarHBondContact O-N 3.37Å; P145-S149 WeakPolarHBondContact O-CB 3.38Å; P145-S149 PolarHBondContact O-N 3.44Å; P145-D195 HydrophobicContact CB-CB 3.94Å; P145-D195 HydrophobicContact CG-CB 4.04Å; P145-I198 HydrophobicContact CB-CD1 3.87Å; P145-I198 HydrophobicContact CB-CG1 4.12Å; P145-I198 HydrophobicContact CG-CD1 4.4Å |
| 146 | K | 85.3 | Confident | 87.3 | Confident | 144 Ų | 144 | 35.5 Ų | 35.5 | 63% | 0.626 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -64.1 | -38.6 | 178 | -70.7 | -175.1 | 178.4 | -179.2 | 0 | 112.4 | S144 T150 | S144-K146 VanDerWaalsContact C-N 3.3Å; S144-K146 PolarHBondContact O-N 3.29Å; K146-T150 WeakPolarHBondContact O-CB 3.14Å; K146-T150 PolarHBondContact O-N 3.4Å; K146-T150 VanDerWaalsContact O-N 3.08Å; K146-T150 PolarHBondContact O-OG1 3.06Å |
| 147 | I | 87.5 | Confident | 87.2 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71 | -50.2 | 179.1 | -63.5 | 178.9 | 0 | 0 | 0 | 109.8 | I69 E72 E74 T75 A139 M142 S144 P145 S149 T150 A151 | I69-I147 HydrophobicContact CG2-CG2 4.19Å; E72-I147 HydrophobicContact CB-CD1 3.95Å; E72-I147 HydrophobicContact CB-CG1 3.87Å; E72-I147 HydrophobicContact CG-CD1 3.91Å; E72-I147 HydrophobicContact CG-CG1 3.62Å; E74-I147 HydrophobicContact CB-CD1 3.6Å; T75-I147 HydrophobicContact CG2-CD1 3.83Å; A139-I147 HydrophobicContact CB-CG2 3.77Å; M142-I147 HydrophobicContact CE-CD1 3.51Å; M142-I147 HydrophobicContact SD-CD1 3.89Å; M142-I147 HydrophobicContact SD-CG2 3.76Å; S144-I147 PolarHBondContact O-N 2.93Å; S144-I147 VanDerWaalsContact O-N 3.14Å; P145-I147 VanDerWaalsContact C-N 3.33Å; P145-I147 PolarHBondContact O-N 2.94Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 3Å; I147-T150 PolarHBondContact O-N 3.24Å; I147-A151 WeakPolarHBondContact O-CB 3.21Å; I147-A151 PolarHBondContact O-N 2.98Å |
| 148 | V | 89.7 | Confident | 87.1 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | M142 S144 P145 T150 A151 V152 C188 I198 | M142-V148 WeakPolarHBondContact O-CG2 3.11Å; S144-V148 WeakPolarHBondContact O-CG2 3.38Å; S144-V148 PolarHBondContact O-N 3.29Å; S144-V148 VanDerWaalsContact O-N 3.07Å; P145-V148 PolarHBondContact O-N 3.37Å; V148-T150 VanDerWaalsContact C-N 3.34Å; V148-T150 PolarHBondContact O-N 3.49Å; V148-A151 PolarHBondContact O-N 3.4Å; V148-V152 HydrophobicContact CG1-CG2 4.21Å; V148-V152 WeakPolarHBondContact O-CG2 3.16Å; V148-V152 PolarHBondContact O-N 3.26Å; V148-C188 HydrophobicContact CG1-CB 4.19Å; V148-I198 HydrophobicContact CB-CD1 4.07Å; V148-I198 HydrophobicContact CB-CG1 4.36Å; V148-I198 HydrophobicContact CG1-CD1 4.1Å; V148-I198 HydrophobicContact CG1-CG1 4.27Å; V148-I198 HydrophobicContact CG1-CG2 3.8Å |
| 149 | S | 89.2 | Confident | 87 | Confident | 37 Ų | 37 | 34.8 Ų | 34.8 | 26% | 0.259 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.5 | -44 | 176.8 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | P145 I147 D153 | P145-S149 WeakPolarHBondContact O-CB 3.38Å; P145-S149 PolarHBondContact O-N 3.44Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 3Å; S149-D153 VanDerWaalsContact O-CB 3.26Å; S149-D153 WeakPolarHBondContact O-CB 3.47Å; S149-D153 PolarHBondContact O-N 3.49Å |
| 150 | T | 88.3 | Confident | 86.6 | Confident | 19 Ų | 19 | 37.5 Ų | 37.5 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -38.5 | 176.8 | -59.4 | 0 | 0 | 0 | 0 | 112 | K68 I69 K146 I147 V148 S154 | K68-T150 HydrophobicContact CB-CG2 4.47Å; K68-T150 HydrophobicContact CD-CG2 3.68Å; K68-T150 HydrophobicContact CG-CG2 4.05Å; I69-T150 HydrophobicContact CG1-CG2 4.11Å; K146-T150 WeakPolarHBondContact O-CB 3.14Å; K146-T150 PolarHBondContact O-N 3.4Å; K146-T150 VanDerWaalsContact O-N 3.08Å; K146-T150 PolarHBondContact O-OG1 3.06Å; I147-T150 PolarHBondContact O-N 3.24Å; V148-T150 VanDerWaalsContact C-N 3.34Å; V148-T150 PolarHBondContact O-N 3.49Å; T150-S154 WeakPolarHBondContact O-CB 3.33Å; T150-S154 PolarHBondContact O-N 3.16Å; T150-S154 PolarHBondContact O-OG 3.46Å |
| 151 | A | 91.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.6 | -47.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I69 A139 I147 V148 D153 S154 L155 | I69-A151 HydrophobicContact CD1-CB 4.25Å; A139-A151 HydrophobicContact CB-CB 3.69Å; I147-A151 WeakPolarHBondContact O-CB 3.21Å; I147-A151 PolarHBondContact O-N 2.98Å; V148-A151 PolarHBondContact O-N 3.4Å; A151-D153 PolarHBondContact O-N 3.32Å; A151-S154 WeakPolarHBondContact O-CB 3.45Å; A151-S154 PolarHBondContact O-N 3.35Å; A151-L155 WeakPolarHBondContact O-CG 3.37Å; A151-L155 PolarHBondContact O-N 2.7Å |
| 152 | V | 91.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 177.8 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | V148 S154 L155 Q156 I185 C188 Q201 A205 | V148-V152 HydrophobicContact CG1-CG2 4.21Å; V148-V152 WeakPolarHBondContact O-CG2 3.16Å; V148-V152 PolarHBondContact O-N 3.26Å; V152-S154 VanDerWaalsContact C-N 3.32Å; V152-S154 PolarHBondContact O-N 2.71Å; V152-L155 PolarHBondContact O-N 2.84Å; V152-Q156 WeakPolarHBondContact O-CB 3.46Å; V152-Q156 PolarHBondContact O-N 3.08Å; V152-I185 HydrophobicContact CG1-CG2 4.31Å; V152-C188 HydrophobicContact CG2-CB 4.5Å; V152-Q201 HydrophobicContact CB-CG 3.93Å; V152-Q201 HydrophobicContact CG1-CB 4.38Å; V152-Q201 HydrophobicContact CG1-CG 3.84Å; V152-A205 HydrophobicContact CG1-CB 3.69Å |
| 153 | D | 90.1 | Very high | 85 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 18% | 0.176 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 171.9 | 177.2 | 63.1 | 0 | 0 | 0 | 112.6 | S149 A151 K157 Q201 | S149-D153 VanDerWaalsContact O-CB 3.26Å; S149-D153 WeakPolarHBondContact O-CB 3.47Å; S149-D153 PolarHBondContact O-N 3.49Å; A151-D153 PolarHBondContact O-N 3.32Å; D153-K157 WeakPolarHBondContact O-CG 3.26Å; D153-K157 PolarHBondContact O-N 3.33Å; D153-K157 WeakPolarHBondContact OD1-CE 3.38Å; D153-K157 IonicContact OD1-NZ 3.35Å; D153-K157 PolarHBondContact OD1-NZ 3.35Å; D153-K157 WeakPolarHBondContact OD2-CE 3.39Å; D153-K157 IonicContact OD2-NZ 2.68Å; D153-K157 PolarHBondContact OD2-NZ 3.2Å; D153-Q201 VanDerWaalsContact CA-NE2 3.26Å; D153-Q201 HydrophobicContact CB-CG 4.26Å |
| 154 | S | 89.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.2 | -45.9 | 177 | -55.1 | 0 | 0 | 0 | 0 | 111 | S65 F136 T150 A151 V152 Q156 K157 L158 | S65-S154 WeakPolarHBondContact CB-OG 3.1Å; F136-S154 VanDerWaalsContact CE1-CB 3.4Å; T150-S154 WeakPolarHBondContact O-CB 3.33Å; T150-S154 PolarHBondContact O-N 3.16Å; T150-S154 PolarHBondContact O-OG 3.46Å; A151-S154 WeakPolarHBondContact O-CB 3.45Å; A151-S154 PolarHBondContact O-N 3.35Å; V152-S154 VanDerWaalsContact C-N 3.32Å; V152-S154 PolarHBondContact O-N 2.71Å; S154-Q156 PolarHBondContact O-N 3.1Å; S154-K157 PolarHBondContact O-N 3.47Å; S154-L158 WeakPolarHBondContact O-CG 3.41Å; S154-L158 PolarHBondContact O-N 3.08Å |
| 155 | L | 89.2 | Confident | 83.5 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 175.4 | -69.8 | 174.3 | 0 | 0 | 0 | 111.8 | L133 F136 A151 V152 K157 L158 I159 V181 I185 | L133-L155 HydrophobicContact CD1-CD2 3.63Å; F136-L155 HydrophobicContact CB-CD1 4.41Å; F136-L155 HydrophobicContact CB-CD2 3.9Å; F136-L155 HydrophobicContact CB-CG 4.1Å; F136-L155 HydrophobicContact CG-CD2 4.34Å; A151-L155 WeakPolarHBondContact O-CG 3.37Å; A151-L155 PolarHBondContact O-N 2.7Å; V152-L155 PolarHBondContact O-N 2.84Å; L155-K157 VanDerWaalsContact C-N 3.33Å; L155-K157 PolarHBondContact O-N 3.07Å; L155-L158 HydrophobicContact CD2-CD1 4.46Å; L155-L158 PolarHBondContact O-N 2.98Å; L155-I159 WeakPolarHBondContact O-CD1 3.46Å; L155-I159 VanDerWaalsContact O-CG1 3.31Å; L155-I159 WeakPolarHBondContact O-CG1 3.33Å; L155-I159 PolarHBondContact O-N 2.89Å; L155-V181 HydrophobicContact CD2-CG1 4.27Å; L155-I185 HydrophobicContact CB-CD1 4.36Å; L155-I185 HydrophobicContact CD1-CG1 4.06Å |
| 156 | Q | 89.2 | Confident | 82.5 | Confident | 36 Ų | 36 | 29 Ų | 29 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.2 | -49.9 | 174.4 | 178.5 | -167.1 | 3 | 0 | 0 | 111.1 | V152 S154 L158 I159 A160 A205 T208 | V152-Q156 WeakPolarHBondContact O-CB 3.46Å; V152-Q156 PolarHBondContact O-N 3.08Å; S154-Q156 PolarHBondContact O-N 3.1Å; Q156-L158 VanDerWaalsContact C-N 3.35Å; Q156-L158 PolarHBondContact O-N 3.47Å; Q156-I159 PolarHBondContact O-N 3.25Å; Q156-A160 WeakPolarHBondContact O-CB 3.45Å; Q156-A160 PolarHBondContact O-N 3.13Å; Q156-A205 HydrophobicContact CB-CB 3.97Å; Q156-A205 HydrophobicContact CG-CB 4.42Å; Q156-T208 HydrophobicContact CG-CG2 4.1Å; Q156-T208 WeakPolarHBondContact CG-OG1 3.46Å; Q156-T208 PolarHBondContact NE2-OG1 2.95Å; Q156-T208 VanDerWaalsContact NE2-OG1 3.08Å |
| 157 | K | 86.1 | Confident | 81.4 | Confident | 67 Ų | 67 | 28 Ų | 28 | 29% | 0.291 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.2 | -39.5 | -178.9 | -75 | 169.4 | -177 | 162 | 0 | 112 | F61 D153 S154 L155 I159 A160 Y161 | F61-K157 HydrophobicContact CE1-CB 4.34Å; F61-K157 HydrophobicContact CE2-CB 4.05Å; F61-K157 HydrophobicContact CE2-CD 3.57Å; F61-K157 HydrophobicContact CE2-CG 4.45Å; F61-K157 HydrophobicContact CZ-CB 3.59Å; F61-K157 HydrophobicContact CZ-CD 3.86Å; F61-K157 HydrophobicContact CZ-CG 4.38Å; D153-K157 WeakPolarHBondContact O-CG 3.26Å; D153-K157 PolarHBondContact O-N 3.33Å; D153-K157 WeakPolarHBondContact OD1-CE 3.38Å; D153-K157 IonicContact OD1-NZ 3.35Å; D153-K157 PolarHBondContact OD1-NZ 3.35Å; D153-K157 WeakPolarHBondContact OD2-CE 3.39Å; D153-K157 IonicContact OD2-NZ 2.68Å; D153-K157 PolarHBondContact OD2-NZ 3.2Å; S154-K157 PolarHBondContact O-N 3.47Å; L155-K157 VanDerWaalsContact C-N 3.33Å; L155-K157 PolarHBondContact O-N 3.07Å; K157-I159 VanDerWaalsContact C-N 3.28Å; K157-I159 PolarHBondContact O-N 3.02Å; K157-A160 PolarHBondContact O-N 3.13Å; K157-Y161 HydrophobicContact CB-CD2 4.18Å; K157-Y161 HydrophobicContact CB-CE2 3.9Å; K157-Y161 HydrophobicContact CG-CE2 4.32Å; K157-Y161 WeakPolarHBondContact O-CB 3.34Å; K157-Y161 WeakPolarHBondContact O-CD2 2.97Å; K157-Y161 PolarHBondContact O-N 2.86Å |
| 158 | L | 83.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 175 | -68.9 | 173.6 | 0 | 0 | 0 | 111.9 | F58 F61 L62 L127 F136 S154 L155 Q156 H163 I164 | F58-L158 HydrophobicContact CD2-CD2 4.45Å; F58-L158 HydrophobicContact CE2-CD2 3.51Å; F58-L158 HydrophobicContact CZ-CD2 4.15Å; F61-L158 HydrophobicContact CD1-CD2 4.07Å; F61-L158 HydrophobicContact CE1-CD2 3.7Å; F61-L158 HydrophobicContact CE1-CG 3.95Å; L62-L158 HydrophobicContact CD1-CD2 4.37Å; L127-L158 HydrophobicContact CD1-CD2 4.47Å; F136-L158 HydrophobicContact CE2-CD1 4.33Å; S154-L158 WeakPolarHBondContact O-CG 3.41Å; S154-L158 PolarHBondContact O-N 3.08Å; L155-L158 HydrophobicContact CD2-CD1 4.46Å; L155-L158 PolarHBondContact O-N 2.98Å; Q156-L158 VanDerWaalsContact C-N 3.35Å; Q156-L158 PolarHBondContact O-N 3.47Å; L158-H163 PolarHBondContact O-N 3.32Å; L158-H163 VanDerWaalsContact O-N 3.16Å; L158-I164 HydrophobicContact CB-CD1 4.15Å; L158-I164 HydrophobicContact CB-CG1 4.36Å |
| 159 | I | 83.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.8 | -47.3 | 175.9 | -64.5 | 158 | 0 | 0 | 0 | 110.8 | L155 Q156 K157 Y161 G162 I164 I178 V181 I185 T208 V209 V215 | L155-I159 WeakPolarHBondContact O-CD1 3.46Å; L155-I159 VanDerWaalsContact O-CG1 3.31Å; L155-I159 WeakPolarHBondContact O-CG1 3.33Å; L155-I159 PolarHBondContact O-N 2.89Å; Q156-I159 PolarHBondContact O-N 3.25Å; K157-I159 VanDerWaalsContact C-N 3.28Å; K157-I159 PolarHBondContact O-N 3.02Å; I159-Y161 VanDerWaalsContact C-N 3.28Å; I159-Y161 PolarHBondContact O-N 3.25Å; I159-G162 PolarHBondContact O-N 3.41Å; I159-G162 VanDerWaalsContact O-N 3.08Å; I159-I164 HydrophobicContact CG1-CD1 3.82Å; I159-I178 HydrophobicContact CG1-CD1 4.31Å; I159-V181 HydrophobicContact CD1-CG1 4.03Å; I159-I185 HydrophobicContact CD1-CD1 4.02Å; I159-T208 HydrophobicContact CG2-CG2 4.18Å; I159-V209 HydrophobicContact CD1-CG2 3.7Å; I159-V209 HydrophobicContact CG2-CG2 4.46Å; I159-V215 HydrophobicContact CG2-CG2 4.13Å |
| 160 | A | 79.8 | Confident | 77.1 | Confident | 56 Ų | 56 | 30.7 Ų | 30.7 | 46% | 0.463 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.2 | -36.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q156 K157 G162 T208 | Q156-A160 WeakPolarHBondContact O-CB 3.45Å; Q156-A160 PolarHBondContact O-N 3.13Å; K157-A160 PolarHBondContact O-N 3.13Å; A160-G162 VanDerWaalsContact C-N 3.29Å; A160-T208 HydrophobicContact CB-CG2 3.7Å |
| 161 | Y | 78.2 | Confident | 75.7 | Confident | 106 Ų | 106 | 35 Ų | 35 | 42% | 0.416 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 4.2 | 179.2 | -61.4 | -48.1 | 0 | 0 | 0 | 113.6 | I53 K157 I159 H163 | I53-Y161 HydrophobicContact CD1-CD1 3.52Å; I53-Y161 HydrophobicContact CD1-CD2 3.62Å; I53-Y161 HydrophobicContact CD1-CE1 3.75Å; I53-Y161 HydrophobicContact CD1-CE2 3.85Å; I53-Y161 HydrophobicContact CD1-CG 3.47Å; I53-Y161 VanDerWaalsContact CD1-CG 3.47Å; K157-Y161 HydrophobicContact CB-CD2 4.18Å; K157-Y161 HydrophobicContact CB-CE2 3.9Å; K157-Y161 HydrophobicContact CG-CE2 4.32Å; K157-Y161 WeakPolarHBondContact O-CB 3.34Å; K157-Y161 WeakPolarHBondContact O-CD2 2.97Å; K157-Y161 PolarHBondContact O-N 2.86Å; I159-Y161 VanDerWaalsContact C-N 3.28Å; I159-Y161 PolarHBondContact O-N 3.25Å; Y161-H163 VanDerWaalsContact C-N 3.28Å; Y161-H163 WeakPolarHBondContact CB-CD2 3.33Å; Y161-H163 PolarHBondContact O-N 3.19Å |
| 162 | G | 69.8 | Low | 74.1 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 20.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I159 A160 I164 | I159-G162 PolarHBondContact O-N 3.41Å; I159-G162 VanDerWaalsContact O-N 3.08Å; A160-G162 VanDerWaalsContact C-N 3.29Å; G162-I164 VanDerWaalsContact C-N 3.3Å; G162-I164 PolarHBondContact O-N 3.43Å |
| 163 | H | 72.9 | Confident | 72.7 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | trans | -81.5 | -8.4 | -176.1 | -68.1 | -58.3 | 0 | 0 | 0 | 114 | F58 L127 L158 Y161 P165 | F58-H163 HydrophobicContact CD2-CB 4.1Å; F58-H163 AromaticContact CD2-CD2 3.21Å; F58-H163 WeakPolarHBondContact CD2-CD2 3.4Å; F58-H163 AromaticContact CD2-CE1 3.68Å; F58-H163 AromaticContact CD2-CG 3.45Å; F58-H163 VanDerWaalsContact CD2-CG 3.45Å; F58-H163 AromaticContact CD2-ND1 3.73Å; F58-H163 AromaticContact CD2-NE2 3.36Å; F58-H163 WeakPolarHBondContact CD2-NE2 3.44Å; F58-H163 HydrophobicContact CE2-CB 3.4Å; F58-H163 VanDerWaalsContact CE2-CB 3.4Å; F58-H163 AromaticContact CE2-CD2 3.38Å; F58-H163 WeakPolarHBondContact CE2-CD2 3.31Å; F58-H163 AromaticContact CE2-CG 3.29Å; F58-H163 AromaticContact CE2-ND1 3.9Å; F58-H163 HydrophobicContact CZ-CB 3.95Å; L127-H163 HydrophobicContact CD1-CB 3.88Å; L127-H163 WeakPolarHBondContact CD1-O 3.22Å; L158-H163 PolarHBondContact O-N 3.32Å; L158-H163 VanDerWaalsContact O-N 3.16Å; Y161-H163 VanDerWaalsContact C-N 3.28Å; Y161-H163 WeakPolarHBondContact CB-CD2 3.33Å; Y161-H163 PolarHBondContact O-N 3.19Å; H163-P165 WeakPolarHBondContact O-CD 3.46Å | ||
| 164 | I | 71.4 | Confident | 71.5 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -101.4 | 98.1 | 174.2 | -55.8 | 176.2 | 0 | 0 | 0 | 107.5 | L127 L158 I159 G162 I177 I178 V181 | L127-I164 HydrophobicContact CD1-CG1 4.12Å; L158-I164 HydrophobicContact CB-CD1 4.15Å; L158-I164 HydrophobicContact CB-CG1 4.36Å; I159-I164 HydrophobicContact CG1-CD1 3.82Å; G162-I164 VanDerWaalsContact C-N 3.3Å; G162-I164 PolarHBondContact O-N 3.43Å; I164-I177 HydrophobicContact CG2-CG2 4.39Å; I164-I178 HydrophobicContact CG2-CB 4.43Å; I164-I178 HydrophobicContact CG2-CD1 4.17Å; I164-V181 HydrophobicContact CD1-CG2 4.43Å |
| 165 | P | 63 | Low | 70.4 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 24% | 0.24 | 31% | 0.305 | C | S | . | . | trans | -70.3 | 141 | -179.7 | 22.4 | -27 | 0 | 0 | 0 | 111.7 | H163 T167 A168 | H163-P165 WeakPolarHBondContact O-CD 3.46Å; P165-T167 PolarHBondContact O-N 3.3Å; P165-T167 VanDerWaalsContact O-N 3.13Å; P165-A168 HydrophobicContact CG-CB 4.16Å; P165-A168 WeakPolarHBondContact O-CB 3.48Å; P165-A168 PolarHBondContact O-N 3.24Å; P165-A168 VanDerWaalsContact O-N 3.1Å | ||
| 166 | N | 64.7 | Low | 69.6 | Low | 36 Ų | 36 | 54.1 Ų | 54.1 | 19% | 0.193 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -28.1 | 178.5 | -89.8 | -15.8 | 0 | 0 | 0 | 114.1 | A168 V214 V215 E216 | N166-A168 VanDerWaalsContact C-N 3.34Å; N166-V214 PolarHBondContact ND2-O 3.42Å; N166-V214 PolarHBondContact OD1-O 2.79Å; N166-V214 VanDerWaalsContact OD1-O 3.1Å; N166-V215 VanDerWaalsContact OD1-CA 3.25Å; N166-V215 WeakPolarHBondContact OD1-CA 3.34Å; N166-E216 WeakPolarHBondContact ND2-CB 3.42Å; N166-E216 WeakPolarHBondContact ND2-CG 3.47Å; N166-E216 PolarHBondContact ND2-N 3.31Å; N166-E216 PolarHBondContact OD1-N 3.12Å |
| 167 | T | 61.3 | Low | 69 | Low | 123 Ų | 123 | 52.9 Ų | 52.9 | 76% | 0.755 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5.4 | -177.7 | 54.2 | 0 | 0 | 0 | 0 | 114 | P165 V169 | P165-T167 PolarHBondContact O-N 3.3Å; P165-T167 VanDerWaalsContact O-N 3.13Å; T167-V169 WeakPolarHBondContact O-CG2 3.42Å; T167-V169 PolarHBondContact O-N 2.73Å |
| 168 | A | 60.6 | Low | 68.8 | Low | 14 Ų | 14 | 49.8 Ų | 49.8 | 12% | 0.116 | 30% | 0.297 | C | S | . | . | trans | -75.8 | 114.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | P165 N166 I177 | P165-A168 HydrophobicContact CG-CB 4.16Å; P165-A168 WeakPolarHBondContact O-CB 3.48Å; P165-A168 PolarHBondContact O-N 3.24Å; P165-A168 VanDerWaalsContact O-N 3.1Å; N166-A168 VanDerWaalsContact C-N 3.34Å; A168-I177 HydrophobicContact CB-CB 4.33Å; A168-I177 HydrophobicContact CB-CD1 3.65Å; A168-I177 HydrophobicContact CB-CG1 4.13Å; A168-I177 WeakPolarHBondContact O-CG1 3.28Å; A168-I177 PolarHBondContact O-N 2.9Å | ||
| 169 | V | 60.4 | Low | 68.7 | Low | 77 Ų | 77 | 51.4 Ų | 51.4 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -101.9 | 141.8 | 178.6 | -147.9 | 0 | 0 | 0 | 0 | 109.2 | T167 V175 | T167-V169 WeakPolarHBondContact O-CG2 3.42Å; T167-V169 PolarHBondContact O-N 2.73Å; V169-V175 WeakPolarHBondContact CG1-O 3.37Å |
| 170 | C | 54.1 | Low | 68.6 | Low | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | trans | -61.1 | 164.4 | 173.3 | -74.7 | 0 | 0 | 0 | 0 | 111.5 | E130 S172 G173 V175 Q180 | E130-C170 WeakPolarHBondContact OE1-CA 3.4Å; E130-C170 WeakPolarHBondContact OE1-CB 3.35Å; C170-S172 PolarHBondContact O-N 3.26Å; C170-G173 PolarHBondContact O-N 2.86Å; C170-V175 WeakPolarHBondContact CB-O 3.36Å; C170-V175 PolarHBondContact N-O 3.16Å; C170-Q180 PolarHBondContact SG-OE1 2.96Å; C170-Q180 VanDerWaalsContact SG-OE1 3.35Å | ||
| 171 | S | 60.1 | Low | 68.9 | Low | 109 Ų | 109 | 52 Ų | 52 | 76% | 0.762 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -18.6 | 175.6 | 49.8 | 0 | 0 | 0 | 0 | 114.2 | E130 G173 | E130-S171 PolarHBondContact OE1-N 2.84Å; E130-S171 PolarHBondContact OE1-OG 2.88Å; E130-S171 PolarHBondContact OE2-OG 3.21Å; S171-G173 VanDerWaalsContact C-N 3.34Å |
| 172 | S | 57.8 | Low | 69.4 | Low | 71 Ų | 71 | 47 Ų | 47 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.9 | 173.5 | 67.8 | 0 | 0 | 0 | 0 | 114.8 | C170 K174 | C170-S172 PolarHBondContact O-N 3.26Å; S172-K174 PolarHBondContact O-N 3.47Å; S172-K174 PolarHBondContact OG-N 2.7Å |
| 173 | G | 61.6 | Low | 70.3 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 59% | 0.588 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 66 | -0.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | C170 S171 | C170-G173 PolarHBondContact O-N 2.86Å; S171-G173 VanDerWaalsContact C-N 3.34Å |
| 174 | K | 64.6 | Low | 71.1 | Confident | 187 Ų | 187 | 50 Ų | 50 | 81% | 0.813 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -111.4 | -21 | -170.4 | -70.7 | -173.7 | 179.2 | -173.1 | 0 | 115.3 | S172 | S172-K174 PolarHBondContact O-N 3.47Å; S172-K174 PolarHBondContact OG-N 2.7Å |
| 175 | V | 66.5 | Low | 72 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 35% | 0.352 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -125.6 | 130 | -175.4 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | V169 C170 E179 Q180 | V169-V175 WeakPolarHBondContact CG1-O 3.37Å; C170-V175 WeakPolarHBondContact CB-O 3.36Å; C170-V175 PolarHBondContact N-O 3.16Å; V175-E179 HydrophobicContact CG1-CB 4.08Å; V175-Q180 HydrophobicContact CG1-CB 4.41Å |
| 176 | R | 73.6 | Confident | 73.4 | Confident | 63 Ų | 63 | 48.3 Ų | 48.3 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -71.1 | 142.5 | 175.4 | -65 | -179 | -72.1 | 164.3 | 1.3 | 108.7 | I178 E179 Q180 E216 | R176-I178 HydrophobicContact CB-CG2 4.02Å; R176-I178 PolarHBondContact O-N 2.9Å; R176-I178 VanDerWaalsContact O-N 3.09Å; R176-E179 HydrophobicContact CB-CG 3.99Å; R176-E179 IonicContact CZ-OE1 3.18Å; R176-E179 PolarHBondContact N-OE2 2.88Å; R176-E179 IonicContact NE-OE1 2.76Å; R176-E179 PolarHBondContact NE-OE1 3.32Å; R176-E179 IonicContact NH2-OE1 2.68Å; R176-E179 PolarHBondContact NH2-OE1 3.49Å; R176-E179 WeakPolarHBondContact O-CB 3.44Å; R176-E179 PolarHBondContact O-N 3.43Å; R176-Q180 PolarHBondContact O-N 3.44Å; R176-E216 PolarHBondContact NH1-O 2.79Å |
| 177 | I | 76.4 | Confident | 74.6 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.4 | -35.7 | -179.3 | -66.9 | -176.4 | 0 | 0 | 0 | 110.4 | L133 I164 A168 Q180 V181 | L133-I177 HydrophobicContact CD2-CG2 3.66Å; I164-I177 HydrophobicContact CG2-CG2 4.39Å; A168-I177 HydrophobicContact CB-CB 4.33Å; A168-I177 HydrophobicContact CB-CD1 3.65Å; A168-I177 HydrophobicContact CB-CG1 4.13Å; A168-I177 WeakPolarHBondContact O-CG1 3.28Å; A168-I177 PolarHBondContact O-N 2.9Å; I177-Q180 PolarHBondContact O-N 2.86Å; I177-V181 HydrophobicContact CG2-CG2 4.38Å; I177-V181 WeakPolarHBondContact O-CG2 3.35Å; I177-V181 PolarHBondContact O-N 3.44Å |
| 178 | I | 80.9 | Confident | 76 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 179.1 | -164.7 | 55.2 | 0 | 0 | 0 | 113.4 | I159 I164 R176 Q180 V181 V182 V215 I217 | I159-I178 HydrophobicContact CG1-CD1 4.31Å; I164-I178 HydrophobicContact CG2-CB 4.43Å; I164-I178 HydrophobicContact CG2-CD1 4.17Å; R176-I178 HydrophobicContact CB-CG2 4.02Å; R176-I178 PolarHBondContact O-N 2.9Å; R176-I178 VanDerWaalsContact O-N 3.09Å; I178-Q180 VanDerWaalsContact C-N 3.3Å; I178-Q180 PolarHBondContact O-N 3.17Å; I178-V181 PolarHBondContact O-N 3.25Å; I178-V182 WeakPolarHBondContact O-CG2 3.42Å; I178-V182 PolarHBondContact O-N 2.81Å; I178-V215 HydrophobicContact CD1-CG1 3.85Å; I178-V215 HydrophobicContact CD1-CG2 3.88Å; I178-V215 HydrophobicContact CG1-CB 4.41Å; I178-V215 HydrophobicContact CG1-CG1 3.45Å; I178-V215 VanDerWaalsContact CG1-CG1 3.45Å; I178-V215 HydrophobicContact CG1-CG2 4.12Å; I178-I217 HydrophobicContact CG1-CG2 4.23Å; I178-I217 HydrophobicContact CG2-CG2 4.3Å |
| 179 | E | 81.4 | Confident | 77.5 | Confident | 35 Ų | 35 | 44.8 Ų | 44.8 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 177.3 | -60.3 | 168.9 | 169.1 | 0 | 0 | 110.1 | V175 R176 V182 T183 D221 | V175-E179 HydrophobicContact CG1-CB 4.08Å; R176-E179 HydrophobicContact CB-CG 3.99Å; R176-E179 IonicContact CZ-OE1 3.18Å; R176-E179 PolarHBondContact N-OE2 2.88Å; R176-E179 IonicContact NE-OE1 2.76Å; R176-E179 PolarHBondContact NE-OE1 3.32Å; R176-E179 IonicContact NH2-OE1 2.68Å; R176-E179 PolarHBondContact NH2-OE1 3.49Å; R176-E179 WeakPolarHBondContact O-CB 3.44Å; R176-E179 PolarHBondContact O-N 3.43Å; E179-V182 PolarHBondContact O-N 2.73Å; E179-T183 VanDerWaalsContact O-CB 3.31Å; E179-T183 WeakPolarHBondContact O-CB 3.34Å; E179-T183 PolarHBondContact O-N 3.31Å; E179-T183 PolarHBondContact O-OG1 3.5Å; E179-D221 WeakPolarHBondContact CG-OD2 3.49Å |
| 180 | Q | 82.5 | Confident | 78.7 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 174.4 | -162.7 | -173.8 | 34.3 | 0 | 0 | 111.9 | Q137 C170 V175 R176 I177 I178 T183 T184 | Q137-Q180 VanDerWaalsContact NE2-CD 3.33Å; C170-Q180 PolarHBondContact SG-OE1 2.96Å; C170-Q180 VanDerWaalsContact SG-OE1 3.35Å; V175-Q180 HydrophobicContact CG1-CB 4.41Å; R176-Q180 PolarHBondContact O-N 3.44Å; I177-Q180 PolarHBondContact O-N 2.86Å; I178-Q180 VanDerWaalsContact C-N 3.3Å; I178-Q180 PolarHBondContact O-N 3.17Å; Q180-T183 PolarHBondContact O-N 3.49Å; Q180-T184 WeakPolarHBondContact O-CB 3.37Å; Q180-T184 PolarHBondContact O-N 3.09Å; Q180-T184 PolarHBondContact O-OG1 3.44Å |
| 181 | V | 85.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 111 | L133 L155 I159 I164 I177 I178 T183 T184 I185 | L133-V181 HydrophobicContact CD1-CG2 4.04Å; L133-V181 HydrophobicContact CD2-CG2 3.65Å; L133-V181 HydrophobicContact CG-CG2 4.38Å; L155-V181 HydrophobicContact CD2-CG1 4.27Å; I159-V181 HydrophobicContact CD1-CG1 4.03Å; I164-V181 HydrophobicContact CD1-CG2 4.43Å; I177-V181 HydrophobicContact CG2-CG2 4.38Å; I177-V181 WeakPolarHBondContact O-CG2 3.35Å; I177-V181 PolarHBondContact O-N 3.44Å; I178-V181 PolarHBondContact O-N 3.25Å; V181-T183 PolarHBondContact O-N 3.34Å; V181-T184 WeakPolarHBondContact O-CB 3.36Å; V181-T184 PolarHBondContact O-N 2.95Å; V181-T184 VanDerWaalsContact O-N 3.16Å; V181-I185 HydrophobicContact CG1-CD1 3.8Å; V181-I185 HydrophobicContact CG1-CG1 4.43Å; V181-I185 WeakPolarHBondContact O-CG1 3.27Å; V181-I185 PolarHBondContact O-N 3.28Å |
| 182 | V | 88.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | I178 E179 T184 I185 C186 V209 I217 V225 | I178-V182 WeakPolarHBondContact O-CG2 3.42Å; I178-V182 PolarHBondContact O-N 2.81Å; E179-V182 PolarHBondContact O-N 2.73Å; V182-T184 VanDerWaalsContact C-N 3.26Å; V182-T184 PolarHBondContact O-N 3.02Å; V182-I185 PolarHBondContact O-N 2.91Å; V182-C186 WeakPolarHBondContact O-CB 3.31Å; V182-C186 PolarHBondContact O-N 3.5Å; V182-C186 PolarHBondContact O-SG 3.01Å; V182-C186 VanDerWaalsContact O-SG 3.33Å; V182-V209 HydrophobicContact CG2-CG1 3.64Å; V182-V209 HydrophobicContact CG2-CG2 4.03Å; V182-I217 HydrophobicContact CG2-CG2 4.31Å; V182-V225 HydrophobicContact CG1-CG2 3.54Å |
| 183 | T | 89.1 | Confident | 82.4 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | E179 Q180 V181 C186 S187 | E179-T183 VanDerWaalsContact O-CB 3.31Å; E179-T183 WeakPolarHBondContact O-CB 3.34Å; E179-T183 PolarHBondContact O-N 3.31Å; E179-T183 PolarHBondContact O-OG1 3.5Å; Q180-T183 PolarHBondContact O-N 3.49Å; V181-T183 PolarHBondContact O-N 3.34Å; T183-C186 PolarHBondContact O-N 3.1Å; T183-S187 WeakPolarHBondContact O-CB 3.37Å; T183-S187 PolarHBondContact O-N 2.98Å |
| 184 | T | 88.6 | Confident | 83.7 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | Q137 C140 Q180 V181 V182 C186 S187 C188 | Q137-T184 HydrophobicContact CB-CG2 4.3Å; Q137-T184 HydrophobicContact CG-CG2 4.15Å; C140-T184 HydrophobicContact CB-CG2 3.8Å; Q180-T184 WeakPolarHBondContact O-CB 3.37Å; Q180-T184 PolarHBondContact O-N 3.09Å; Q180-T184 PolarHBondContact O-OG1 3.44Å; V181-T184 WeakPolarHBondContact O-CB 3.36Å; V181-T184 PolarHBondContact O-N 2.95Å; V181-T184 VanDerWaalsContact O-N 3.16Å; V182-T184 VanDerWaalsContact C-N 3.26Å; V182-T184 PolarHBondContact O-N 3.02Å; T184-C186 VanDerWaalsContact C-N 3.34Å; T184-C186 PolarHBondContact O-N 2.87Å; T184-S187 PolarHBondContact O-N 2.81Å; T184-S187 PolarHBondContact O-OG 2.76Å; T184-C188 PolarHBondContact O-N 2.81Å; T184-C188 PolarHBondContact O-SG 3.42Å |
| 185 | I | 91.9 | Very high | 85 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 177.5 | -67.5 | 164.3 | 0 | 0 | 0 | 110.1 | V152 L155 I159 V181 V182 S187 C188 I202 A205 L206 | V152-I185 HydrophobicContact CG1-CG2 4.31Å; L155-I185 HydrophobicContact CB-CD1 4.36Å; L155-I185 HydrophobicContact CD1-CG1 4.06Å; I159-I185 HydrophobicContact CD1-CD1 4.02Å; V181-I185 HydrophobicContact CG1-CD1 3.8Å; V181-I185 HydrophobicContact CG1-CG1 4.43Å; V181-I185 WeakPolarHBondContact O-CG1 3.27Å; V181-I185 PolarHBondContact O-N 3.28Å; V182-I185 PolarHBondContact O-N 2.91Å; I185-S187 VanDerWaalsContact C-N 3.33Å; I185-S187 PolarHBondContact O-N 3.18Å; I185-C188 VanDerWaalsContact O-CB 3.28Å; I185-C188 WeakPolarHBondContact O-CB 3.43Å; I185-C188 PolarHBondContact O-N 3.1Å; I185-I202 HydrophobicContact CG2-CG2 4.17Å; I185-A205 HydrophobicContact CD1-CB 4.22Å; I185-A205 HydrophobicContact CG2-CB 3.98Å; I185-L206 HydrophobicContact CB-CD2 4.29Å; I185-L206 HydrophobicContact CG2-CD2 3.65Å; I185-L206 HydrophobicContact CG2-CG 3.99Å |
| 186 | C | 91.5 | Very high | 86.1 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.054 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 178.3 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | V182 T183 T184 C188 F189 L224 T228 | V182-C186 WeakPolarHBondContact O-CB 3.31Å; V182-C186 PolarHBondContact O-N 3.5Å; V182-C186 PolarHBondContact O-SG 3.01Å; V182-C186 VanDerWaalsContact O-SG 3.33Å; T183-C186 PolarHBondContact O-N 3.1Å; T184-C186 VanDerWaalsContact C-N 3.34Å; T184-C186 PolarHBondContact O-N 2.87Å; C186-C188 PolarHBondContact O-N 2.75Å; C186-F189 PolarHBondContact O-N 3.06Å; C186-F189 VanDerWaalsContact O-N 3.16Å; C186-L224 HydrophobicContact CB-CD1 4.38Å; C186-L224 HydrophobicContact CB-CD2 4.16Å; C186-L224 HydrophobicContact CB-CG 4.08Å; C186-T228 HydrophobicContact CB-CG2 4.23Å; C186-T228 WeakPolarHBondContact CB-OG1 3.33Å; C186-T228 PolarHBondContact SG-OG1 3.09Å |
| 187 | S | 90.5 | Very high | 86.8 | Confident | 60 Ų | 60 | 42.1 Ų | 42.1 | 42% | 0.42 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.8 | -16 | 178.6 | 78.3 | 0 | 0 | 0 | 0 | 114.6 | T183 T184 I185 F189 | T183-S187 WeakPolarHBondContact O-CB 3.37Å; T183-S187 PolarHBondContact O-N 2.98Å; T184-S187 PolarHBondContact O-N 2.81Å; T184-S187 PolarHBondContact O-OG 2.76Å; I185-S187 VanDerWaalsContact C-N 3.33Å; I185-S187 PolarHBondContact O-N 3.18Å; S187-F189 PolarHBondContact O-N 3.49Å |
| 188 | C | 90.7 | Very high | 87.5 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.9 | 175 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | C140 V148 V152 T184 I185 C186 I198 I202 | C140-C188 VanDerWaalsContact CB-SG 3.53Å; V148-C188 HydrophobicContact CG1-CB 4.19Å; V152-C188 HydrophobicContact CG2-CB 4.5Å; T184-C188 PolarHBondContact O-N 2.81Å; T184-C188 PolarHBondContact O-SG 3.42Å; I185-C188 VanDerWaalsContact O-CB 3.28Å; I185-C188 WeakPolarHBondContact O-CB 3.43Å; I185-C188 PolarHBondContact O-N 3.1Å; C186-C188 PolarHBondContact O-N 2.75Å; C188-I198 HydrophobicContact CB-CG2 4.44Å; C188-I202 HydrophobicContact CB-CD1 3.6Å; C188-I202 HydrophobicContact CB-CG1 4.04Å |
| 189 | F | 92.2 | Very high | 88.1 | Confident | 32 Ų | 32 | 42.3 Ų | 42.3 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | trans | -87.7 | 114.5 | 174.4 | 178.3 | -104.1 | 0 | 0 | 0 | 110.7 | C186 S187 T194 I202 T228 N231 I232 A235 | C186-F189 PolarHBondContact O-N 3.06Å; C186-F189 VanDerWaalsContact O-N 3.16Å; S187-F189 PolarHBondContact O-N 3.49Å; F189-T194 HydrophobicContact CD2-CG2 4.34Å; F189-I202 HydrophobicContact CB-CD1 3.97Å; F189-T228 HydrophobicContact CB-CG2 4.18Å; F189-N231 HydrophobicContact CD1-CB 4.27Å; F189-N231 HydrophobicContact CE1-CB 3.54Å; F189-N231 HydrophobicContact CZ-CB 4.13Å; F189-I232 HydrophobicContact CB-CG1 4.49Å; F189-I232 HydrophobicContact CD1-CG1 4.42Å; F189-I232 HydrophobicContact CD2-CD1 4.31Å; F189-I232 HydrophobicContact CD2-CG1 3.44Å; F189-I232 VanDerWaalsContact CD2-CG1 3.44Å; F189-I232 HydrophobicContact CE2-CB 4.34Å; F189-I232 HydrophobicContact CE2-CG1 3.64Å; F189-I232 HydrophobicContact CG-CD1 4.5Å; F189-I232 HydrophobicContact CG-CG1 3.85Å; F189-I232 HydrophobicContact CZ-CG1 4.22Å; F189-A235 HydrophobicContact CE2-CB 4.14Å; F189-A235 HydrophobicContact CZ-CB 3.67Å | ||
| 190 | Q | 85.5 | Confident | 88.6 | Confident | 129 Ų | 129 | 43 Ų | 43 | 60% | 0.603 | 24% | 0.244 | S | C | * | . | trans | -111.9 | 14.1 | -176.1 | -64 | -179.5 | -1 | 0 | 0 | 113.2 | Q193 T194 | Q190-Q193 VanDerWaalsContact O-CD 3.31Å; Q190-Q193 PolarHBondContact O-NE2 3.31Å; Q190-Q193 PolarHBondContact O-OE1 3.1Å; Q190-T194 PolarHBondContact N-OG1 2.76Å | ||
| 191 | G | 85.7 | Confident | 89 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 103.9 | -157 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q193 T194 | G191-Q193 PolarHBondContact O-N 3.16Å; G191-Q193 VanDerWaalsContact O-N 3.12Å; G191-T194 PolarHBondContact N-OG1 3.39Å; G191-T194 WeakPolarHBondContact O-CB 3.25Å; G191-T194 PolarHBondContact O-N 3.35Å; G191-T194 VanDerWaalsContact O-N 3.1Å; G191-T194 PolarHBondContact O-OG1 2.98Å |
| 192 | V | 81.9 | Confident | 89.4 | Confident | 103 Ų | 103 | 40.8 Ų | 40.8 | 62% | 0.624 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.3 | -171.3 | -64.8 | 0 | 0 | 0 | 0 | 115 | A235 | V192-A235 HydrophobicContact CG1-CB 3.81Š|
| 193 | Q | 81.9 | Confident | 89.7 | Confident | 133 Ų | 133 | 40.8 Ų | 40.8 | 62% | 0.621 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -3.2 | 179.5 | 72 | -79.9 | 15.7 | 0 | 0 | 113.9 | Q190 G191 D195 | Q190-Q193 VanDerWaalsContact O-CD 3.31Å; Q190-Q193 PolarHBondContact O-NE2 3.31Å; Q190-Q193 PolarHBondContact O-OE1 3.1Å; G191-Q193 PolarHBondContact O-N 3.16Å; G191-Q193 VanDerWaalsContact O-N 3.12Å; Q193-D195 PolarHBondContact O-N 3.16Å |
| 194 | T | 89.7 | Confident | 89.9 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -68.3 | 130 | 178.1 | -48 | 0 | 0 | 0 | 0 | 109.6 | F189 Q190 G191 I198 Q199 | F189-T194 HydrophobicContact CD2-CG2 4.34Å; Q190-T194 PolarHBondContact N-OG1 2.76Å; G191-T194 PolarHBondContact N-OG1 3.39Å; G191-T194 WeakPolarHBondContact O-CB 3.25Å; G191-T194 PolarHBondContact O-N 3.35Å; G191-T194 VanDerWaalsContact O-N 3.1Å; G191-T194 PolarHBondContact O-OG1 2.98Å; T194-I198 HydrophobicContact CG2-CB 4.17Å; T194-I198 HydrophobicContact CG2-CG2 4.03Å; T194-Q199 HydrophobicContact CG2-CG 4.11Å; T194-Q199 PolarHBondContact O-NE2 2.89Å |
| 195 | D | 90.1 | Very high | 90.1 | Very high | 75 Ų | 75 | 41.3 Ų | 41.3 | 40% | 0.401 | 23% | 0.228 | S | C | . | . | trans | -56.9 | 140.5 | 179.4 | 176.4 | -94.8 | 0 | 0 | 0 | 112.7 | P145 Q193 G197 I198 Q199 | P145-D195 HydrophobicContact CB-CB 3.94Å; P145-D195 HydrophobicContact CG-CB 4.04Å; Q193-D195 PolarHBondContact O-N 3.16Å; D195-G197 VanDerWaalsContact C-N 3.27Å; D195-G197 PolarHBondContact O-N 3.33Å; D195-G197 WeakPolarHBondContact OD1-CA 3.4Å; D195-G197 PolarHBondContact OD1-N 2.87Å; D195-I198 HydrophobicContact CB-CB 4.44Å; D195-I198 HydrophobicContact CB-CD1 3.81Å; D195-I198 HydrophobicContact CB-CG1 3.96Å; D195-I198 WeakPolarHBondContact O-CB 3.35Å; D195-I198 PolarHBondContact O-N 3.35Å; D195-I198 VanDerWaalsContact O-N 3.09Å; D195-I198 PolarHBondContact OD1-N 3.16Å; D195-Q199 WeakPolarHBondContact O-CG 3.48Å; D195-Q199 PolarHBondContact O-N 3Å | ||
| 196 | D | 90 | Very high | 90.2 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 36% | 0.358 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60 | -34.6 | -176.6 | -79.3 | -6.6 | 0 | 0 | 0 | 112.9 | Q199 L200 N238 N241 | D196-Q199 PolarHBondContact O-N 3.48Å; D196-L200 PolarHBondContact O-N 3.12Å; D196-N238 WeakPolarHBondContact OD2-CB 3.46Å; D196-N238 PolarHBondContact OD2-ND2 3.12Å; D196-N241 WeakPolarHBondContact CA-ND2 3.44Å; D196-N241 WeakPolarHBondContact CB-ND2 3.45Å; D196-N241 PolarHBondContact O-ND2 3.06Å |
| 197 | G | 88.7 | Confident | 90.2 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 37% | 0.371 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.3 | -34.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D195 Q201 | D195-G197 VanDerWaalsContact C-N 3.27Å; D195-G197 PolarHBondContact O-N 3.33Å; D195-G197 WeakPolarHBondContact OD1-CA 3.4Å; D195-G197 PolarHBondContact OD1-N 2.87Å; G197-Q201 PolarHBondContact O-N 3.48Å |
| 198 | I | 91 | Very high | 90.2 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.4 | -47.1 | 173.3 | -58.6 | 173.1 | 0 | 0 | 0 | 110.1 | P145 V148 C188 T194 D195 L200 Q201 I202 | P145-I198 HydrophobicContact CB-CD1 3.87Å; P145-I198 HydrophobicContact CB-CG1 4.12Å; P145-I198 HydrophobicContact CG-CD1 4.4Å; V148-I198 HydrophobicContact CB-CD1 4.07Å; V148-I198 HydrophobicContact CB-CG1 4.36Å; V148-I198 HydrophobicContact CG1-CD1 4.1Å; V148-I198 HydrophobicContact CG1-CG1 4.27Å; V148-I198 HydrophobicContact CG1-CG2 3.8Å; C188-I198 HydrophobicContact CB-CG2 4.44Å; T194-I198 HydrophobicContact CG2-CB 4.17Å; T194-I198 HydrophobicContact CG2-CG2 4.03Å; D195-I198 HydrophobicContact CB-CB 4.44Å; D195-I198 HydrophobicContact CB-CD1 3.81Å; D195-I198 HydrophobicContact CB-CG1 3.96Å; D195-I198 WeakPolarHBondContact O-CB 3.35Å; D195-I198 PolarHBondContact O-N 3.35Å; D195-I198 VanDerWaalsContact O-N 3.09Å; D195-I198 PolarHBondContact OD1-N 3.16Å; I198-L200 VanDerWaalsContact C-N 3.28Å; I198-L200 PolarHBondContact O-N 3.22Å; I198-Q201 PolarHBondContact O-N 2.95Å; I198-I202 HydrophobicContact CG2-CD1 3.77Å; I198-I202 HydrophobicContact CG2-CG1 4.16Å; I198-I202 WeakPolarHBondContact O-CG1 3.46Å; I198-I202 PolarHBondContact O-N 2.69Å |
| 199 | Q | 93 | Very high | 90.2 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.6 | -47.3 | 178.7 | -68.1 | 173 | 16.9 | 0 | 0 | 111.2 | T194 D195 D196 Q201 I202 L203 I232 T236 N241 | T194-Q199 HydrophobicContact CG2-CG 4.11Å; T194-Q199 PolarHBondContact O-NE2 2.89Å; D195-Q199 WeakPolarHBondContact O-CG 3.48Å; D195-Q199 PolarHBondContact O-N 3Å; D196-Q199 PolarHBondContact O-N 3.48Å; Q199-Q201 VanDerWaalsContact C-N 3.32Å; Q199-Q201 PolarHBondContact O-N 3.33Å; Q199-I202 PolarHBondContact O-N 2.96Å; Q199-L203 WeakPolarHBondContact O-CG 3.46Å; Q199-L203 PolarHBondContact O-N 3.49Å; Q199-L203 VanDerWaalsContact O-N 3.1Å; Q199-I232 HydrophobicContact CB-CG2 4.1Å; Q199-I232 HydrophobicContact CG-CG2 4.35Å; Q199-T236 PolarHBondContact OE1-OG1 3.43Å; Q199-N241 PolarHBondContact OE1-ND2 2.91Å |
| 200 | L | 91.7 | Very high | 90 | Very high | 49 Ų | 49 | 38.9 Ų | 38.9 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63 | -38.4 | 178.8 | -173.1 | 62.7 | 0 | 0 | 0 | 112.3 | D196 I198 K204 T244 | D196-L200 PolarHBondContact O-N 3.12Å; I198-L200 VanDerWaalsContact C-N 3.28Å; I198-L200 PolarHBondContact O-N 3.22Å; L200-K204 WeakPolarHBondContact O-CG 3.42Å; L200-K204 PolarHBondContact O-N 3.32Å; L200-K204 VanDerWaalsContact O-N 3.16Å; L200-T244 HydrophobicContact CD1-CG2 3.67Å |
| 201 | Q | 92.3 | Very high | 90 | Very high | 21 Ų | 21 | 36 Ų | 36 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.4 | -36.2 | 179.3 | -163.2 | 58.3 | 40.2 | 0 | 0 | 112.4 | V152 D153 G197 I198 Q199 K204 A205 | V152-Q201 HydrophobicContact CB-CG 3.93Å; V152-Q201 HydrophobicContact CG1-CB 4.38Å; V152-Q201 HydrophobicContact CG1-CG 3.84Å; D153-Q201 VanDerWaalsContact CA-NE2 3.26Å; D153-Q201 HydrophobicContact CB-CG 4.26Å; G197-Q201 PolarHBondContact O-N 3.48Å; I198-Q201 PolarHBondContact O-N 2.95Å; Q199-Q201 VanDerWaalsContact C-N 3.32Å; Q199-Q201 PolarHBondContact O-N 3.33Å; Q201-K204 PolarHBondContact O-N 3.46Å; Q201-A205 WeakPolarHBondContact O-CB 3.36Å; Q201-A205 PolarHBondContact O-N 2.9Å |
| 202 | I | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -49.7 | 172.5 | -66.3 | 168.4 | 0 | 0 | 0 | 109.9 | I185 C188 F189 I198 Q199 K204 A205 L206 T228 I232 | I185-I202 HydrophobicContact CG2-CG2 4.17Å; C188-I202 HydrophobicContact CB-CD1 3.6Å; C188-I202 HydrophobicContact CB-CG1 4.04Å; F189-I202 HydrophobicContact CB-CD1 3.97Å; I198-I202 HydrophobicContact CG2-CD1 3.77Å; I198-I202 HydrophobicContact CG2-CG1 4.16Å; I198-I202 WeakPolarHBondContact O-CG1 3.46Å; I198-I202 PolarHBondContact O-N 2.69Å; Q199-I202 PolarHBondContact O-N 2.96Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.42Å; I202-A205 PolarHBondContact O-N 3.37Å; I202-A205 VanDerWaalsContact O-N 3.16Å; I202-L206 HydrophobicContact CG2-CD1 3.75Å; I202-L206 HydrophobicContact CG2-CG 4.09Å; I202-L206 WeakPolarHBondContact O-CB 3.35Å; I202-L206 WeakPolarHBondContact O-CG 3.37Å; I202-L206 PolarHBondContact O-N 3.02Å; I202-T228 HydrophobicContact CG2-CG2 4.29Å; I202-I232 HydrophobicContact CB-CD1 4.2Å; I202-I232 HydrophobicContact CG2-CD1 3.79Å |
| 203 | L | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 179.7 | -68.3 | 170.4 | 0 | 0 | 0 | 112.1 | Q199 L207 C229 I232 T244 A245 T248 | Q199-L203 WeakPolarHBondContact O-CG 3.46Å; Q199-L203 PolarHBondContact O-N 3.49Å; Q199-L203 VanDerWaalsContact O-N 3.1Å; L203-L207 WeakPolarHBondContact O-CB 3.38Å; L203-L207 PolarHBondContact O-N 3.44Å; L203-C229 HydrophobicContact CD2-CB 4.08Å; L203-I232 HydrophobicContact CD1-CG2 4.12Å; L203-I232 HydrophobicContact CD2-CB 4.49Å; L203-I232 HydrophobicContact CD2-CD1 3.99Å; L203-I232 HydrophobicContact CD2-CG2 4.36Å; L203-I232 HydrophobicContact CG-CD1 4.19Å; L203-I232 HydrophobicContact CG-CG2 4.35Å; L203-T244 HydrophobicContact CD1-CG2 4.17Å; L203-A245 HydrophobicContact CD1-CB 3.76Å; L203-A245 HydrophobicContact CD2-CB 3.95Å; L203-T248 HydrophobicContact CB-CG2 4.4Å; L203-T248 HydrophobicContact CD2-CG2 4.22Å |
| 204 | K | 93.3 | Very high | 89 | Confident | 97 Ų | 97 | 32.4 Ų | 32.4 | 42% | 0.422 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 175.6 | -73.7 | 177.5 | 176.5 | -177.9 | 0 | 112.4 | L200 Q201 I202 T208 | L200-K204 WeakPolarHBondContact O-CG 3.42Å; L200-K204 PolarHBondContact O-N 3.32Å; L200-K204 VanDerWaalsContact O-N 3.16Å; Q201-K204 PolarHBondContact O-N 3.46Å; I202-K204 VanDerWaalsContact C-N 3.32Å; I202-K204 PolarHBondContact O-N 3.42Å; K204-T208 WeakPolarHBondContact O-CB 3.46Å; K204-T208 PolarHBondContact O-N 2.87Å; K204-T208 PolarHBondContact O-OG1 2.9Å |
| 205 | A | 93 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V152 Q156 I185 Q201 I202 L207 T208 V209 | V152-A205 HydrophobicContact CG1-CB 3.69Å; Q156-A205 HydrophobicContact CB-CB 3.97Å; Q156-A205 HydrophobicContact CG-CB 4.42Å; I185-A205 HydrophobicContact CD1-CB 4.22Å; I185-A205 HydrophobicContact CG2-CB 3.98Å; Q201-A205 WeakPolarHBondContact O-CB 3.36Å; Q201-A205 PolarHBondContact O-N 2.9Å; I202-A205 PolarHBondContact O-N 3.37Å; I202-A205 VanDerWaalsContact O-N 3.16Å; A205-L207 PolarHBondContact O-N 2.93Å; A205-T208 WeakPolarHBondContact O-CB 3.39Å; A205-T208 PolarHBondContact O-N 2.75Å; A205-T208 VanDerWaalsContact O-N 3.12Å; A205-V209 WeakPolarHBondContact O-CG2 3.34Å; A205-V209 PolarHBondContact O-N 2.97Å |
| 206 | L | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66 | -37.4 | 179.5 | -68.2 | -174 | 0 | 0 | 0 | 113.2 | I185 I202 T208 V209 I210 V225 T228 | I185-L206 HydrophobicContact CB-CD2 4.29Å; I185-L206 HydrophobicContact CG2-CD2 3.65Å; I185-L206 HydrophobicContact CG2-CG 3.99Å; I202-L206 HydrophobicContact CG2-CD1 3.75Å; I202-L206 HydrophobicContact CG2-CG 4.09Å; I202-L206 WeakPolarHBondContact O-CB 3.35Å; I202-L206 WeakPolarHBondContact O-CG 3.37Å; I202-L206 PolarHBondContact O-N 3.02Å; L206-T208 VanDerWaalsContact C-N 3.3Å; L206-T208 PolarHBondContact O-N 2.94Å; L206-V209 WeakPolarHBondContact O-CB 3.47Å; L206-V209 PolarHBondContact O-N 2.99Å; L206-I210 PolarHBondContact O-N 2.77Å; L206-V225 HydrophobicContact CB-CG1 4.04Å; L206-V225 HydrophobicContact CD1-CG1 4.29Å; L206-V225 HydrophobicContact CD2-CG1 4.4Å; L206-V225 HydrophobicContact CD2-CG2 4.01Å; L206-V225 HydrophobicContact CG-CG1 4.47Å; L206-T228 HydrophobicContact CD1-CG2 4.07Å |
| 207 | L | 91.6 | Very high | 87.1 | Confident | 33 Ų | 33 | 29.8 Ų | 29.8 | 17% | 0.173 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 171.2 | -178.7 | 62.3 | 0 | 0 | 0 | 111.4 | L203 A205 V209 I210 T211 T248 Q251 I252 | L203-L207 WeakPolarHBondContact O-CB 3.38Å; L203-L207 PolarHBondContact O-N 3.44Å; A205-L207 PolarHBondContact O-N 2.93Å; L207-V209 VanDerWaalsContact C-N 3.32Å; L207-V209 PolarHBondContact O-N 3.27Å; L207-I210 PolarHBondContact O-N 3.39Å; L207-T211 HydrophobicContact CD1-CG2 3.94Å; L207-T211 HydrophobicContact CG-CG2 4.31Å; L207-T211 WeakPolarHBondContact O-CB 3.42Å; L207-T211 WeakPolarHBondContact O-CG2 3.35Å; L207-T211 PolarHBondContact O-N 3.08Å; L207-T211 PolarHBondContact O-OG1 3.03Å; L207-T248 HydrophobicContact CB-CG2 4.07Å; L207-Q251 HydrophobicContact CD1-CB 3.74Å; L207-I252 HydrophobicContact CD1-CG1 4.15Å |
| 208 | T | 90.3 | Very high | 86.9 | Confident | 21 Ų | 21 | 30.2 Ų | 30.2 | 13% | 0.129 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | 177.9 | -53 | 0 | 0 | 0 | 0 | 111.4 | Q156 I159 A160 K204 A205 L206 T211 S212 | Q156-T208 HydrophobicContact CG-CG2 4.1Å; Q156-T208 WeakPolarHBondContact CG-OG1 3.46Å; Q156-T208 PolarHBondContact NE2-OG1 2.95Å; Q156-T208 VanDerWaalsContact NE2-OG1 3.08Å; I159-T208 HydrophobicContact CG2-CG2 4.18Å; A160-T208 HydrophobicContact CB-CG2 3.7Å; K204-T208 WeakPolarHBondContact O-CB 3.46Å; K204-T208 PolarHBondContact O-N 2.87Å; K204-T208 PolarHBondContact O-OG1 2.9Å; A205-T208 WeakPolarHBondContact O-CB 3.39Å; A205-T208 PolarHBondContact O-N 2.75Å; A205-T208 VanDerWaalsContact O-N 3.12Å; L206-T208 VanDerWaalsContact C-N 3.3Å; L206-T208 PolarHBondContact O-N 2.94Å; T208-T211 WeakPolarHBondContact CA-OG1 3.4Å; T208-T211 PolarHBondContact O-OG1 3.43Å; T208-S212 VanDerWaalsContact O-CB 3.27Å; T208-S212 WeakPolarHBondContact O-CB 3.5Å; T208-S212 PolarHBondContact O-N 2.72Å |
| 209 | V | 89.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.9 | -49.8 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 111 | I159 V182 A205 L206 L207 V215 I217 | I159-V209 HydrophobicContact CD1-CG2 3.7Å; I159-V209 HydrophobicContact CG2-CG2 4.46Å; V182-V209 HydrophobicContact CG2-CG1 3.64Å; V182-V209 HydrophobicContact CG2-CG2 4.03Å; A205-V209 WeakPolarHBondContact O-CG2 3.34Å; A205-V209 PolarHBondContact O-N 2.97Å; L206-V209 WeakPolarHBondContact O-CB 3.47Å; L206-V209 PolarHBondContact O-N 2.99Å; L207-V209 VanDerWaalsContact C-N 3.32Å; L207-V209 PolarHBondContact O-N 3.27Å; V209-V215 HydrophobicContact CG1-CG1 4.19Å; V209-I217 HydrophobicContact CG1-CD1 3.5Å; V209-I217 VanDerWaalsContact CG1-CD1 3.5Å; V209-I217 HydrophobicContact CG1-CG1 4.08Å; V209-I217 HydrophobicContact CG1-CG2 4.48Å |
| 210 | I | 88.1 | Confident | 86.3 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.6 | -32.1 | -175.5 | -64.2 | -74.3 | 0 | 0 | 0 | 112.1 | L206 L207 I217 I222 V225 I252 V255 L256 R259 | L206-I210 PolarHBondContact O-N 2.77Å; L207-I210 PolarHBondContact O-N 3.39Å; I210-I217 HydrophobicContact CD1-CD1 3.66Å; I210-I217 HydrophobicContact CD1-CG1 4.16Å; I210-I222 HydrophobicContact CD1-CG1 4.37Å; I210-V225 HydrophobicContact CD1-CG1 4.4Å; I210-V225 HydrophobicContact CG1-CG1 4.08Å; I210-I252 HydrophobicContact CB-CG1 4.24Å; I210-I252 HydrophobicContact CD1-CG2 4.38Å; I210-I252 HydrophobicContact CG1-CD1 4.48Å; I210-I252 HydrophobicContact CG1-CG1 4.1Å; I210-I252 HydrophobicContact CG1-CG2 4.04Å; I210-I252 HydrophobicContact CG2-CB 4.46Å; I210-I252 HydrophobicContact CG2-CG1 4.39Å; I210-I252 HydrophobicContact CG2-CG2 4.21Å; I210-V255 HydrophobicContact CG2-CB 4.13Å; I210-V255 HydrophobicContact CG2-CG1 3.86Å; I210-L256 HydrophobicContact CD1-CD2 4.47Å; I210-R259 PolarHBondContact O-NH1 3.14Å; I210-R259 PolarHBondContact O-NH2 3.5Å |
| 211 | T | 87.3 | Confident | 86 | Confident | 70 Ų | 70 | 35.4 Ų | 35.4 | 43% | 0.429 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -84.6 | -19.6 | -177.8 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | L207 T208 S213 V255 | L207-T211 HydrophobicContact CD1-CG2 3.94Å; L207-T211 HydrophobicContact CG-CG2 4.31Å; L207-T211 WeakPolarHBondContact O-CB 3.42Å; L207-T211 WeakPolarHBondContact O-CG2 3.35Å; L207-T211 PolarHBondContact O-N 3.08Å; L207-T211 PolarHBondContact O-OG1 3.03Å; T208-T211 WeakPolarHBondContact CA-OG1 3.4Å; T208-T211 PolarHBondContact O-OG1 3.43Å; T211-S213 PolarHBondContact O-N 2.86Å; T211-V255 HydrophobicContact CG2-CG2 4.1Å |
| 212 | S | 83.8 | Confident | 85.9 | Confident | 14 Ų | 14 | 34.5 Ų | 34.5 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | trans | -64.5 | 128.8 | 179 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | T208 V214 R259 | T208-S212 VanDerWaalsContact O-CB 3.27Å; T208-S212 WeakPolarHBondContact O-CB 3.5Å; T208-S212 PolarHBondContact O-N 2.72Å; S212-V214 PolarHBondContact O-N 2.98Å; S212-V214 PolarHBondContact OG-N 3.18Å; S212-R259 PolarHBondContact O-NH2 3.37Å | ||
| 213 | S | 74.8 | Confident | 85.6 | Confident | 108 Ų | 108 | 36.9 Ų | 36.9 | 76% | 0.755 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -77.4 | -10.2 | 174 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | T211 | T211-S213 PolarHBondContact O-N 2.86Š|
| 214 | V | 68.1 | Low | 85.5 | Confident | 58 Ų | 58 | 39.6 Ų | 39.6 | 35% | 0.352 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -92.6 | -19 | -179.2 | -174 | 0 | 0 | 0 | 0 | 111.2 | N166 S212 | N166-V214 PolarHBondContact ND2-O 3.42Å; N166-V214 PolarHBondContact OD1-O 2.79Å; N166-V214 VanDerWaalsContact OD1-O 3.1Å; S212-V214 PolarHBondContact O-N 2.98Å; S212-V214 PolarHBondContact OG-N 3.18Å |
| 215 | V | 72.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | trans | -112.5 | 121.6 | -173.7 | 166.1 | 0 | 0 | 0 | 0 | 111.2 | I159 N166 I178 V209 I217 | I159-V215 HydrophobicContact CG2-CG2 4.13Å; N166-V215 VanDerWaalsContact OD1-CA 3.25Å; N166-V215 WeakPolarHBondContact OD1-CA 3.34Å; I178-V215 HydrophobicContact CD1-CG1 3.85Å; I178-V215 HydrophobicContact CD1-CG2 3.88Å; I178-V215 HydrophobicContact CG1-CB 4.41Å; I178-V215 HydrophobicContact CG1-CG1 3.45Å; I178-V215 VanDerWaalsContact CG1-CG1 3.45Å; I178-V215 HydrophobicContact CG1-CG2 4.12Å; V209-V215 HydrophobicContact CG1-CG1 4.19Å; V215-I217 HydrophobicContact CG1-CG2 4.17Å | ||
| 216 | E | 74.8 | Confident | 85.3 | Confident | 93 Ų | 93 | 35.7 Ų | 35.7 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | trans | -117.7 | 103.3 | 177.8 | -69.4 | 176.7 | 173.6 | 0 | 0 | 110.5 | N166 R176 | N166-E216 WeakPolarHBondContact ND2-CB 3.42Å; N166-E216 WeakPolarHBondContact ND2-CG 3.47Å; N166-E216 PolarHBondContact ND2-N 3.31Å; N166-E216 PolarHBondContact OD1-N 3.12Å; R176-E216 PolarHBondContact NH1-O 2.79Å | ||
| 217 | I | 82.5 | Confident | 85.1 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | trans | -109 | 146.3 | 171.8 | 55.3 | 160.9 | 0 | 0 | 0 | 109.3 | I178 V182 V209 I210 V215 D221 I222 V225 | I178-I217 HydrophobicContact CG1-CG2 4.23Å; I178-I217 HydrophobicContact CG2-CG2 4.3Å; V182-I217 HydrophobicContact CG2-CG2 4.31Å; V209-I217 HydrophobicContact CG1-CD1 3.5Å; V209-I217 VanDerWaalsContact CG1-CD1 3.5Å; V209-I217 HydrophobicContact CG1-CG1 4.08Å; V209-I217 HydrophobicContact CG1-CG2 4.48Å; I210-I217 HydrophobicContact CD1-CD1 3.66Å; I210-I217 HydrophobicContact CD1-CG1 4.16Å; V215-I217 HydrophobicContact CG1-CG2 4.17Å; I217-D221 HydrophobicContact CB-CB 4.24Å; I217-I222 HydrophobicContact CD1-CG1 4.18Å; I217-I222 HydrophobicContact CG1-CG1 4.11Å; I217-I222 VanDerWaalsContact O-CD1 3.25Å; I217-I222 WeakPolarHBondContact O-CD1 3.28Å; I217-V225 HydrophobicContact CD1-CG2 4.03Å | ||
| 218 | H | 85.8 | Confident | 85.2 | Confident | 46 Ų | 46 | 40.3 Ų | 40.3 | 21% | 0.213 | 22% | 0.224 | C | C | . | . | trans | -138.4 | 162.4 | -173.2 | -61.8 | -60.8 | 0 | 0 | 0 | 111.8 | A220 D221 V464 D468 | H218-A220 PolarHBondContact O-N 2.82Å; H218-A220 VanDerWaalsContact O-N 3.12Å; H218-D221 PolarHBondContact O-N 3.19Å; H218-V464 HydrophobicContact CB-CG1 4Å; H218-V464 VanDerWaalsContact CG-CG1 3.46Å; H218-V464 VanDerWaalsContact ND1-CG1 3.31Å; H218-V464 WeakPolarHBondContact ND1-CG1 3.42Å; H218-D468 IonicContact CE1-OD2 3.81Å; H218-D468 IonicContact CG-OD2 3.52Å; H218-D468 IonicContact ND1-OD2 2.95Å; H218-D468 PolarHBondContact ND1-OD2 3.38Å | ||
| 219 | E | 87.2 | Confident | 85.3 | Confident | 78 Ų | 78 | 39.3 Ų | 39.3 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | -106.1 | 169.8 | -55.5 | -172.8 | -170.7 | 0 | 0 | 115.1 | D221 I222 L223 K467 D468 L471 | E219-D221 VanDerWaalsContact C-N 3.3Å; E219-D221 PolarHBondContact O-N 3.42Å; E219-I222 PolarHBondContact O-N 3.42Å; E219-L223 WeakPolarHBondContact O-CG 3.42Å; E219-L223 PolarHBondContact O-N 3.47Å; E219-L223 VanDerWaalsContact O-N 3.08Å; E219-K467 HydrophobicContact CG-CD 4.45Å; E219-K467 WeakPolarHBondContact OE1-CD 3.35Å; E219-K467 VanDerWaalsContact OE1-CE 3.31Å; E219-K467 WeakPolarHBondContact OE1-CE 3.33Å; E219-K467 IonicContact OE1-NZ 3.41Å; E219-K467 PolarHBondContact OE1-NZ 3.4Å; E219-K467 IonicContact OE2-NZ 2.77Å; E219-K467 PolarHBondContact OE2-NZ 3.03Å; E219-D468 WeakPolarHBondContact CA-OD1 3.4Å; E219-D468 PolarHBondContact N-OD1 3.35Å; E219-L471 HydrophobicContact CB-CD1 4.29Å; E219-L471 HydrophobicContact CG-CD1 4.39Å |
| 220 | A | 83.1 | Confident | 85.4 | Confident | 70 Ų | 70 | 40.1 Ų | 40.1 | 58% | 0.579 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.1 | -35.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H218 L223 L224 | H218-A220 PolarHBondContact O-N 2.82Å; H218-A220 VanDerWaalsContact O-N 3.12Å; A220-L223 PolarHBondContact O-N 3.4Å; A220-L224 WeakPolarHBondContact O-CB 3.34Å; A220-L224 PolarHBondContact O-N 3.4Å |
| 221 | D | 86.6 | Confident | 85.5 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.1 | -40.5 | -179.4 | -64.5 | -53.1 | 0 | 0 | 0 | 111.3 | E179 I217 H218 E219 L223 L224 V225 | E179-D221 WeakPolarHBondContact CG-OD2 3.49Å; I217-D221 HydrophobicContact CB-CB 4.24Å; H218-D221 PolarHBondContact O-N 3.19Å; E219-D221 VanDerWaalsContact C-N 3.3Å; E219-D221 PolarHBondContact O-N 3.42Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 3.22Å; D221-L224 WeakPolarHBondContact O-CB 3.23Å; D221-L224 PolarHBondContact O-N 3.41Å; D221-V225 WeakPolarHBondContact O-CG2 3.33Å; D221-V225 PolarHBondContact O-N 2.89Å |
| 222 | I | 89.2 | Confident | 85.7 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 173.1 | -70.4 | 173.6 | 0 | 0 | 0 | 110.1 | I210 I217 E219 L224 V225 V226 L256 D468 V472 | I210-I222 HydrophobicContact CD1-CG1 4.37Å; I217-I222 HydrophobicContact CD1-CG1 4.18Å; I217-I222 HydrophobicContact CG1-CG1 4.11Å; I217-I222 VanDerWaalsContact O-CD1 3.25Å; I217-I222 WeakPolarHBondContact O-CD1 3.28Å; E219-I222 PolarHBondContact O-N 3.42Å; I222-L224 VanDerWaalsContact C-N 3.28Å; I222-L224 PolarHBondContact O-N 3.02Å; I222-V225 WeakPolarHBondContact O-CB 3.41Å; I222-V225 PolarHBondContact O-N 2.94Å; I222-V226 HydrophobicContact CG2-CG2 4.32Å; I222-V226 WeakPolarHBondContact O-CG2 3.48Å; I222-V226 PolarHBondContact O-N 2.73Å; I222-L256 HydrophobicContact CD1-CD2 3.76Å; I222-L256 HydrophobicContact CG1-CD2 4.42Å; I222-L256 HydrophobicContact CG2-CD1 3.58Å; I222-L256 HydrophobicContact CG2-CD2 4.29Å; I222-D468 HydrophobicContact CD1-CB 3.67Å; I222-D468 VanDerWaalsContact CD1-OD2 3.22Å; I222-D468 WeakPolarHBondContact CD1-OD2 3.26Å; I222-V472 HydrophobicContact CG2-CG2 3.77Å |
| 223 | L | 88.4 | Confident | 86.1 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.1 | -37.3 | 177 | -71.2 | 177.4 | 0 | 0 | 0 | 111.8 | E219 A220 D221 R227 L471 V472 | E219-L223 WeakPolarHBondContact O-CG 3.42Å; E219-L223 PolarHBondContact O-N 3.47Å; E219-L223 VanDerWaalsContact O-N 3.08Å; A220-L223 PolarHBondContact O-N 3.4Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 3.22Å; L223-R227 WeakPolarHBondContact O-CB 3.2Å; L223-R227 PolarHBondContact O-N 2.88Å; L223-L471 HydrophobicContact CD1-CB 4.3Å; L223-L471 HydrophobicContact CD2-CB 4.33Å; L223-V472 HydrophobicContact CD2-CG2 4.14Å |
| 224 | L | 91.1 | Very high | 86.7 | Confident | 57 Ų | 57 | 35.2 Ų | 35.2 | 30% | 0.298 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 174.2 | 179.6 | 62.9 | 0 | 0 | 0 | 111.5 | C186 A220 D221 I222 T228 | C186-L224 HydrophobicContact CB-CD1 4.38Å; C186-L224 HydrophobicContact CB-CD2 4.16Å; C186-L224 HydrophobicContact CB-CG 4.08Å; A220-L224 WeakPolarHBondContact O-CB 3.34Å; A220-L224 PolarHBondContact O-N 3.4Å; D221-L224 WeakPolarHBondContact O-CB 3.23Å; D221-L224 PolarHBondContact O-N 3.41Å; I222-L224 VanDerWaalsContact C-N 3.28Å; I222-L224 PolarHBondContact O-N 3.02Å; L224-T228 WeakPolarHBondContact O-CB 3.42Å; L224-T228 PolarHBondContact O-N 3.44Å; L224-T228 PolarHBondContact O-OG1 3.2Å |
| 225 | V | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.6 | -53.2 | 176.2 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | V182 L206 I210 I217 D221 I222 R227 T228 C229 I252 | V182-V225 HydrophobicContact CG1-CG2 3.54Å; L206-V225 HydrophobicContact CB-CG1 4.04Å; L206-V225 HydrophobicContact CD1-CG1 4.29Å; L206-V225 HydrophobicContact CD2-CG1 4.4Å; L206-V225 HydrophobicContact CD2-CG2 4.01Å; L206-V225 HydrophobicContact CG-CG1 4.47Å; I210-V225 HydrophobicContact CD1-CG1 4.4Å; I210-V225 HydrophobicContact CG1-CG1 4.08Å; I217-V225 HydrophobicContact CD1-CG2 4.03Å; D221-V225 WeakPolarHBondContact O-CG2 3.33Å; D221-V225 PolarHBondContact O-N 2.89Å; I222-V225 WeakPolarHBondContact O-CB 3.41Å; I222-V225 PolarHBondContact O-N 2.94Å; V225-R227 VanDerWaalsContact C-N 3.33Å; V225-R227 PolarHBondContact O-N 3.41Å; V225-T228 PolarHBondContact O-N 3.21Å; V225-C229 PolarHBondContact O-N 2.9Å; V225-C229 PolarHBondContact O-SG 3.43Å; V225-C229 VanDerWaalsContact O-SG 3.41Å; V225-I252 HydrophobicContact CG1-CD1 3.91Å |
| 226 | V | 91.2 | Very high | 88.3 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 179 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | I222 T228 C229 Y230 L249 I252 V472 | I222-V226 HydrophobicContact CG2-CG2 4.32Å; I222-V226 WeakPolarHBondContact O-CG2 3.48Å; I222-V226 PolarHBondContact O-N 2.73Å; V226-T228 VanDerWaalsContact C-N 3.35Å; V226-T228 PolarHBondContact O-N 3.18Å; V226-C229 PolarHBondContact O-N 3.47Å; V226-Y230 VanDerWaalsContact O-CB 3.28Å; V226-Y230 WeakPolarHBondContact O-CB 3.48Å; V226-Y230 PolarHBondContact O-N 3.08Å; V226-L249 HydrophobicContact CG1-CD2 4.13Å; V226-L249 WeakPolarHBondContact O-CD2 3.46Å; V226-I252 HydrophobicContact CG2-CG2 3.98Å; V226-V472 HydrophobicContact CG2-CG2 4.28Å |
| 227 | R | 89.4 | Confident | 88.7 | Confident | 123 Ų | 123 | 38.6 Ų | 38.6 | 46% | 0.464 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 178 | -176.2 | 176.2 | -174.8 | 175.5 | -1.2 | 112.2 | L223 V225 Y230 N231 | L223-R227 WeakPolarHBondContact O-CB 3.2Å; L223-R227 PolarHBondContact O-N 2.88Å; V225-R227 VanDerWaalsContact C-N 3.33Å; V225-R227 PolarHBondContact O-N 3.41Å; R227-Y230 PolarHBondContact O-N 3.39Å; R227-N231 WeakPolarHBondContact O-CB 3.43Å; R227-N231 PolarHBondContact O-N 3.38Å; R227-N231 PolarHBondContact O-ND2 3.38Å; R227-N231 PolarHBondContact O-OD1 3.2Å |
| 228 | T | 92.2 | Very high | 89 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.3 | -47.5 | 179.4 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | C186 F189 I202 L206 L224 V225 V226 Y230 N231 I232 | C186-T228 HydrophobicContact CB-CG2 4.23Å; C186-T228 WeakPolarHBondContact CB-OG1 3.33Å; C186-T228 PolarHBondContact SG-OG1 3.09Å; F189-T228 HydrophobicContact CB-CG2 4.18Å; I202-T228 HydrophobicContact CG2-CG2 4.29Å; L206-T228 HydrophobicContact CD1-CG2 4.07Å; L224-T228 WeakPolarHBondContact O-CB 3.42Å; L224-T228 PolarHBondContact O-N 3.44Å; L224-T228 PolarHBondContact O-OG1 3.2Å; V225-T228 PolarHBondContact O-N 3.21Å; V226-T228 VanDerWaalsContact C-N 3.35Å; V226-T228 PolarHBondContact O-N 3.18Å; T228-Y230 VanDerWaalsContact C-N 3.31Å; T228-Y230 PolarHBondContact O-N 3.39Å; T228-N231 PolarHBondContact O-N 2.92Å; T228-I232 HydrophobicContact CG2-CD1 4.16Å; T228-I232 WeakPolarHBondContact O-CG1 3.43Å; T228-I232 PolarHBondContact O-N 3.12Å |
| 229 | C | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.2 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | L203 V225 V226 I232 F233 L249 | L203-C229 HydrophobicContact CD2-CB 4.08Å; V225-C229 PolarHBondContact O-N 2.9Å; V225-C229 PolarHBondContact O-SG 3.43Å; V225-C229 VanDerWaalsContact O-SG 3.41Å; V226-C229 PolarHBondContact O-N 3.47Å; C229-I232 PolarHBondContact O-N 2.72Å; C229-F233 PolarHBondContact O-N 2.76Å; C229-F233 VanDerWaalsContact O-N 3.09Å; C229-L249 HydrophobicContact CB-CD1 4.44Å; C229-L249 HydrophobicContact CB-CD2 3.45Å; C229-L249 VanDerWaalsContact CB-CD2 3.45Å; C229-L249 HydrophobicContact CB-CG 3.7Å |
| 230 | Y | 91.5 | Very high | 89 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.7 | -170.9 | -88.5 | 0 | 0 | 0 | 112.2 | V226 R227 T228 I232 F233 M234 L249 L479 S499 L502 | V226-Y230 VanDerWaalsContact O-CB 3.28Å; V226-Y230 WeakPolarHBondContact O-CB 3.48Å; V226-Y230 PolarHBondContact O-N 3.08Å; R227-Y230 PolarHBondContact O-N 3.39Å; T228-Y230 VanDerWaalsContact C-N 3.31Å; T228-Y230 PolarHBondContact O-N 3.39Å; Y230-I232 VanDerWaalsContact C-N 3.35Å; Y230-I232 PolarHBondContact O-N 2.84Å; Y230-F233 WeakPolarHBondContact O-CB 3.33Å; Y230-F233 PolarHBondContact O-N 3.22Å; Y230-M234 HydrophobicContact CD1-CE 4.25Å; Y230-M234 HydrophobicContact CD1-CG 4.05Å; Y230-M234 HydrophobicContact CD2-CE 4.46Å; Y230-M234 HydrophobicContact CE1-CE 3.61Å; Y230-M234 HydrophobicContact CE1-CG 3.85Å; Y230-M234 HydrophobicContact CE1-SD 4.49Å; Y230-M234 HydrophobicContact CE2-CE 3.86Å; Y230-M234 VanDerWaalsContact CZ-CE 3.4Å; Y230-M234 WeakPolarHBondContact O-CG 3.43Å; Y230-M234 PolarHBondContact O-N 2.67Å; Y230-L249 HydrophobicContact CD2-CD1 4.49Å; Y230-L479 HydrophobicContact CE1-CD1 4.39Å; Y230-L479 HydrophobicContact CE2-CD1 4.09Å; Y230-S499 WeakPolarHBondContact OH-CA 3.39Å; Y230-S499 PolarHBondContact OH-O 2.89Å; Y230-S499 PolarHBondContact OH-OG 3.39Å; Y230-L502 HydrophobicContact CD2-CD2 3.66Å; Y230-L502 HydrophobicContact CE2-CD2 3.66Å; Y230-L502 HydrophobicContact CE2-CG 4.24Å |
| 231 | N | 90.3 | Very high | 89.4 | Confident | 58 Ų | 58 | 41.1 Ų | 41.1 | 31% | 0.31 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.2 | -36.7 | 178.7 | -68.8 | -21.4 | 0 | 0 | 0 | 112.3 | F189 R227 T228 M234 A235 | F189-N231 HydrophobicContact CD1-CB 4.27Å; F189-N231 HydrophobicContact CE1-CB 3.54Å; F189-N231 HydrophobicContact CZ-CB 4.13Å; R227-N231 WeakPolarHBondContact O-CB 3.43Å; R227-N231 PolarHBondContact O-N 3.38Å; R227-N231 PolarHBondContact O-ND2 3.38Å; R227-N231 PolarHBondContact O-OD1 3.2Å; T228-N231 PolarHBondContact O-N 2.92Å; N231-M234 PolarHBondContact O-N 3.42Å; N231-A235 VanDerWaalsContact O-CB 3.28Å; N231-A235 WeakPolarHBondContact O-CB 3.25Å; N231-A235 PolarHBondContact O-N 3.49Å |
| 232 | I | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 173.3 | -69.6 | 165.9 | 0 | 0 | 0 | 109.9 | F189 Q199 I202 L203 T228 C229 Y230 M234 A235 T236 A245 | F189-I232 HydrophobicContact CB-CG1 4.49Å; F189-I232 HydrophobicContact CD1-CG1 4.42Å; F189-I232 HydrophobicContact CD2-CD1 4.31Å; F189-I232 HydrophobicContact CD2-CG1 3.44Å; F189-I232 VanDerWaalsContact CD2-CG1 3.44Å; F189-I232 HydrophobicContact CE2-CB 4.34Å; F189-I232 HydrophobicContact CE2-CG1 3.64Å; F189-I232 HydrophobicContact CG-CD1 4.5Å; F189-I232 HydrophobicContact CG-CG1 3.85Å; F189-I232 HydrophobicContact CZ-CG1 4.22Å; Q199-I232 HydrophobicContact CB-CG2 4.1Å; Q199-I232 HydrophobicContact CG-CG2 4.35Å; I202-I232 HydrophobicContact CB-CD1 4.2Å; I202-I232 HydrophobicContact CG2-CD1 3.79Å; L203-I232 HydrophobicContact CD1-CG2 4.12Å; L203-I232 HydrophobicContact CD2-CB 4.49Å; L203-I232 HydrophobicContact CD2-CD1 3.99Å; L203-I232 HydrophobicContact CD2-CG2 4.36Å; L203-I232 HydrophobicContact CG-CD1 4.19Å; L203-I232 HydrophobicContact CG-CG2 4.35Å; T228-I232 HydrophobicContact CG2-CD1 4.16Å; T228-I232 WeakPolarHBondContact O-CG1 3.43Å; T228-I232 PolarHBondContact O-N 3.12Å; C229-I232 PolarHBondContact O-N 2.72Å; Y230-I232 VanDerWaalsContact C-N 3.35Å; Y230-I232 PolarHBondContact O-N 2.84Å; I232-M234 VanDerWaalsContact C-N 3.26Å; I232-M234 PolarHBondContact O-N 3.22Å; I232-A235 PolarHBondContact O-N 3.15Å; I232-T236 VanDerWaalsContact O-CB 3.28Å; I232-T236 WeakPolarHBondContact O-CB 3.22Å; I232-T236 VanDerWaalsContact O-CG2 3.25Å; I232-T236 WeakPolarHBondContact O-CG2 3.41Å; I232-T236 PolarHBondContact O-N 3.49Å; I232-A245 HydrophobicContact CG2-CB 4.25Å |
| 233 | F | 91.4 | Very high | 89.5 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.4 | -40.5 | 176.4 | 177 | -83.5 | 0 | 0 | 0 | 112.4 | C229 Y230 Q242 A245 R246 R498 L502 | C229-F233 PolarHBondContact O-N 2.76Å; C229-F233 VanDerWaalsContact O-N 3.09Å; Y230-F233 WeakPolarHBondContact O-CB 3.33Å; Y230-F233 PolarHBondContact O-N 3.22Å; F233-Q242 HydrophobicContact CD2-CG 3.51Å; F233-Q242 VanDerWaalsContact CD2-O 3.24Å; F233-Q242 WeakPolarHBondContact CD2-O 3.41Å; F233-Q242 HydrophobicContact CE1-CG 4.46Å; F233-Q242 HydrophobicContact CE2-CG 3.31Å; F233-Q242 HydrophobicContact CG-CG 4.15Å; F233-Q242 HydrophobicContact CZ-CG 3.86Å; F233-Q242 PolarHBondContact O-NE2 3.45Å; F233-A245 HydrophobicContact CB-CB 3.82Å; F233-A245 HydrophobicContact CD2-CB 4.34Å; F233-R246 HydrophobicContact CD2-CB 3.93Å; F233-R246 HydrophobicContact CE2-CB 3.81Å; F233-R498 HydrophobicContact CE1-CG 4Å; F233-L502 HydrophobicContact CB-CD2 4.18Å; F233-L502 HydrophobicContact CD1-CB 4.46Å; F233-L502 HydrophobicContact CD1-CD2 3.41Å; F233-L502 VanDerWaalsContact CD1-CD2 3.41Å; F233-L502 HydrophobicContact CD1-CG 4.36Å; F233-L502 HydrophobicContact CD2-CD1 4.43Å; F233-L502 HydrophobicContact CD2-CD2 4.17Å; F233-L502 HydrophobicContact CE1-CB 3.89Å; F233-L502 HydrophobicContact CE1-CD1 4.3Å; F233-L502 HydrophobicContact CE1-CD2 3.67Å; F233-L502 HydrophobicContact CE1-CG 4.15Å; F233-L502 HydrophobicContact CE2-CD1 4.11Å; F233-L502 HydrophobicContact CE2-CD2 4.43Å; F233-L502 HydrophobicContact CG-CD2 3.66Å; F233-L502 HydrophobicContact CZ-CB 4.25Å; F233-L502 HydrophobicContact CZ-CD1 4.03Å; F233-L502 HydrophobicContact CZ-CD2 4.2Å; F233-L502 HydrophobicContact CZ-CG 4.38Å |
| 234 | M | 87.2 | Confident | 89.7 | Confident | 17 Ų | 17 | 44.7 Ų | 44.7 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.3 | -42.7 | 179.6 | -70 | -54.6 | 150.8 | 0 | 0 | 112.3 | Y230 N231 I232 H495 L502 | Y230-M234 HydrophobicContact CD1-CE 4.25Å; Y230-M234 HydrophobicContact CD1-CG 4.05Å; Y230-M234 HydrophobicContact CD2-CE 4.46Å; Y230-M234 HydrophobicContact CE1-CE 3.61Å; Y230-M234 HydrophobicContact CE1-CG 3.85Å; Y230-M234 HydrophobicContact CE1-SD 4.49Å; Y230-M234 HydrophobicContact CE2-CE 3.86Å; Y230-M234 VanDerWaalsContact CZ-CE 3.4Å; Y230-M234 WeakPolarHBondContact O-CG 3.43Å; Y230-M234 PolarHBondContact O-N 2.67Å; N231-M234 PolarHBondContact O-N 3.42Å; I232-M234 VanDerWaalsContact C-N 3.26Å; I232-M234 PolarHBondContact O-N 3.22Å; M234-H495 PolarHBondContact O-CE1 3.19Å; M234-H495 PolarHBondContact O-NE2 3.28Å; M234-L502 HydrophobicContact CE-CB 4.12Å; M234-L502 HydrophobicContact CE-CD2 3.79Å |
| 235 | A | 85.7 | Confident | 89.8 | Confident | 16 Ų | 16 | 42 Ų | 42 | 13% | 0.132 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -83.4 | -28.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F189 V192 N231 I232 | F189-A235 HydrophobicContact CE2-CB 4.14Å; F189-A235 HydrophobicContact CZ-CB 3.67Å; V192-A235 HydrophobicContact CG1-CB 3.81Å; N231-A235 VanDerWaalsContact O-CB 3.28Å; N231-A235 WeakPolarHBondContact O-CB 3.25Å; N231-A235 PolarHBondContact O-N 3.49Å; I232-A235 PolarHBondContact O-N 3.15Å |
| 236 | T | 88.7 | Confident | 89.8 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | trans | -73.1 | 135.7 | -173.6 | -164.4 | 0 | 0 | 0 | 0 | 112 | Q199 I232 N238 N241 Q242 | Q199-T236 PolarHBondContact OE1-OG1 3.43Å; I232-T236 VanDerWaalsContact O-CB 3.28Å; I232-T236 WeakPolarHBondContact O-CB 3.22Å; I232-T236 VanDerWaalsContact O-CG2 3.25Å; I232-T236 WeakPolarHBondContact O-CG2 3.41Å; I232-T236 PolarHBondContact O-N 3.49Å; T236-N238 PolarHBondContact OG1-N 3.4Å; T236-N241 HydrophobicContact CG2-CB 4.11Å; T236-N241 WeakPolarHBondContact OG1-CB 3.48Å; T236-Q242 HydrophobicContact CG2-CB 3.72Å; T236-Q242 HydrophobicContact CG2-CG 4.38Å | ||
| 237 | K | 84.3 | Confident | 89.8 | Confident | 200 Ų | 200 | 48.2 Ų | 48.2 | 87% | 0.87 | 25% | 0.251 | S | S | * | . | trans | -95.5 | -9.5 | 171.8 | -64.1 | -178.9 | -178.2 | 178 | 0 | 112.1 | P239 | K237-P239 WeakPolarHBondContact O-CD 3.31Š| ||
| 238 | N | 87.8 | Confident | 90 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | trans | -83 | 116.5 | -178.8 | -177.1 | -27.6 | 0 | 0 | 0 | 109 | D196 T236 I240 N241 Q242 | D196-N238 WeakPolarHBondContact OD2-CB 3.46Å; D196-N238 PolarHBondContact OD2-ND2 3.12Å; T236-N238 PolarHBondContact OG1-N 3.4Å; N238-I240 PolarHBondContact O-N 2.99Å; N238-I240 WeakPolarHBondContact OD1-CB 3.31Å; N238-I240 PolarHBondContact OD1-N 3.24Å; N238-N241 HydrophobicContact CB-CB 4.1Å; N238-N241 PolarHBondContact O-N 2.91Å; N238-N241 VanDerWaalsContact O-N 3.14Å; N238-Q242 PolarHBondContact O-N 2.95Å | ||
| 239 | P | 87.5 | Confident | 90 | Very high | 93 Ų | 93 | 42.3 Ų | 42.3 | 60% | 0.604 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.7 | -28.5 | -176.1 | 26 | -34.4 | 0 | 0 | 0 | 112.3 | K237 A243 | K237-P239 WeakPolarHBondContact O-CD 3.31Å; P239-A243 VanDerWaalsContact O-CB 3.29Å; P239-A243 WeakPolarHBondContact O-CB 3.36Å; P239-A243 PolarHBondContact O-N 3.35Å |
| 240 | I | 86.6 | Confident | 90 | Very high | 116 Ų | 116 | 43.8 Ų | 43.8 | 60% | 0.595 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -68.1 | -47.3 | 176.6 | -57.4 | 173.4 | 0 | 0 | 0 | 109.8 | N238 Q242 A243 T244 | N238-I240 PolarHBondContact O-N 2.99Å; N238-I240 WeakPolarHBondContact OD1-CB 3.31Å; N238-I240 PolarHBondContact OD1-N 3.24Å; I240-Q242 VanDerWaalsContact C-N 3.33Å; I240-Q242 PolarHBondContact O-N 3.19Å; I240-A243 PolarHBondContact O-N 3.48Å; I240-T244 WeakPolarHBondContact O-CB 3.46Å; I240-T244 PolarHBondContact O-N 3.43Å; I240-T244 PolarHBondContact O-OG1 3.4Å |
| 241 | N | 91 | Very high | 90 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 177.7 | -75.5 | 1 | 0 | 0 | 0 | 111.5 | D196 Q199 T236 N238 T244 A245 | D196-N241 WeakPolarHBondContact CA-ND2 3.44Å; D196-N241 WeakPolarHBondContact CB-ND2 3.45Å; D196-N241 PolarHBondContact O-ND2 3.06Å; Q199-N241 PolarHBondContact OE1-ND2 2.91Å; T236-N241 HydrophobicContact CG2-CB 4.11Å; T236-N241 WeakPolarHBondContact OG1-CB 3.48Å; N238-N241 HydrophobicContact CB-CB 4.1Å; N238-N241 PolarHBondContact O-N 2.91Å; N238-N241 VanDerWaalsContact O-N 3.14Å; N241-T244 PolarHBondContact O-N 3.21Å; N241-A245 VanDerWaalsContact O-CB 3.26Å; N241-A245 WeakPolarHBondContact O-CB 3.36Å; N241-A245 PolarHBondContact O-N 3.32Å |
| 242 | Q | 88.5 | Confident | 90.1 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -48 | 175.5 | -169.3 | 167 | 59.2 | 0 | 0 | 111.5 | F233 T236 N238 I240 T244 A245 R246 | F233-Q242 HydrophobicContact CD2-CG 3.51Å; F233-Q242 VanDerWaalsContact CD2-O 3.24Å; F233-Q242 WeakPolarHBondContact CD2-O 3.41Å; F233-Q242 HydrophobicContact CE1-CG 4.46Å; F233-Q242 HydrophobicContact CE2-CG 3.31Å; F233-Q242 HydrophobicContact CG-CG 4.15Å; F233-Q242 HydrophobicContact CZ-CG 3.86Å; F233-Q242 PolarHBondContact O-NE2 3.45Å; T236-Q242 HydrophobicContact CG2-CB 3.72Å; T236-Q242 HydrophobicContact CG2-CG 4.38Å; N238-Q242 PolarHBondContact O-N 2.95Å; I240-Q242 VanDerWaalsContact C-N 3.33Å; I240-Q242 PolarHBondContact O-N 3.19Å; Q242-T244 VanDerWaalsContact C-N 3.32Å; Q242-T244 PolarHBondContact O-N 3.03Å; Q242-A245 PolarHBondContact O-N 2.89Å; Q242-R246 PolarHBondContact O-N 3.35Å |
| 243 | A | 89.9 | Confident | 90 | Very high | 61 Ų | 61 | 45 Ų | 45 | 50% | 0.504 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.1 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P239 I240 R246 A247 | P239-A243 VanDerWaalsContact O-CB 3.29Å; P239-A243 WeakPolarHBondContact O-CB 3.36Å; P239-A243 PolarHBondContact O-N 3.35Å; I240-A243 PolarHBondContact O-N 3.48Å; A243-R246 PolarHBondContact O-N 2.97Å; A243-A247 WeakPolarHBondContact O-CB 3.49Å; A243-A247 PolarHBondContact O-N 3.43Å |
| 244 | T | 91.9 | Very high | 90 | Very high | 41 Ų | 41 | 47 Ų | 47 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 177.4 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | L200 L203 I240 N241 Q242 R246 A247 T248 | L200-T244 HydrophobicContact CD1-CG2 3.67Å; L203-T244 HydrophobicContact CD1-CG2 4.17Å; I240-T244 WeakPolarHBondContact O-CB 3.46Å; I240-T244 PolarHBondContact O-N 3.43Å; I240-T244 PolarHBondContact O-OG1 3.4Å; N241-T244 PolarHBondContact O-N 3.21Å; Q242-T244 VanDerWaalsContact C-N 3.32Å; Q242-T244 PolarHBondContact O-N 3.03Å; T244-R246 VanDerWaalsContact C-N 3.33Å; T244-R246 PolarHBondContact O-N 3.09Å; T244-A247 PolarHBondContact O-N 3.26Å; T244-T248 WeakPolarHBondContact O-CB 3.24Å; T244-T248 PolarHBondContact O-N 3.29Å; T244-T248 PolarHBondContact O-OG1 3.44Å |
| 245 | A | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L203 I232 F233 N241 Q242 T248 L249 | L203-A245 HydrophobicContact CD1-CB 3.76Å; L203-A245 HydrophobicContact CD2-CB 3.95Å; I232-A245 HydrophobicContact CG2-CB 4.25Å; F233-A245 HydrophobicContact CB-CB 3.82Å; F233-A245 HydrophobicContact CD2-CB 4.34Å; N241-A245 VanDerWaalsContact O-CB 3.26Å; N241-A245 WeakPolarHBondContact O-CB 3.36Å; N241-A245 PolarHBondContact O-N 3.32Å; Q242-A245 PolarHBondContact O-N 2.89Å; A245-T248 PolarHBondContact O-N 3.29Å; A245-L249 WeakPolarHBondContact O-CB 3.29Å; A245-L249 WeakPolarHBondContact O-CG 3.25Å; A245-L249 PolarHBondContact O-N 2.98Å |
| 246 | R | 91.4 | Very high | 90.4 | Very high | 99 Ų | 99 | 47.1 Ų | 47.1 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 173.9 | 179.7 | 178.1 | 175.6 | -170.9 | -0 | 112 | F233 Q242 A243 T244 L249 T250 L502 | F233-R246 HydrophobicContact CD2-CB 3.93Å; F233-R246 HydrophobicContact CE2-CB 3.81Å; Q242-R246 PolarHBondContact O-N 3.35Å; A243-R246 PolarHBondContact O-N 2.97Å; T244-R246 VanDerWaalsContact C-N 3.33Å; T244-R246 PolarHBondContact O-N 3.09Å; R246-L249 PolarHBondContact O-N 3.27Å; R246-T250 PolarHBondContact O-N 3.03Å; R246-T250 PolarHBondContact O-OG1 2.83Å; R246-L502 HydrophobicContact CB-CD1 4.4Å; R246-L502 HydrophobicContact CG-CD1 3.94Å |
| 247 | A | 91.9 | Very high | 90.6 | Very high | 46 Ų | 46 | 47.6 Ų | 47.6 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A243 T244 T250 Q251 | A243-A247 WeakPolarHBondContact O-CB 3.49Å; A243-A247 PolarHBondContact O-N 3.43Å; T244-A247 PolarHBondContact O-N 3.26Å; A247-T250 PolarHBondContact O-N 3.38Å; A247-Q251 WeakPolarHBondContact O-CG 3.45Å; A247-Q251 PolarHBondContact O-N 2.94Å |
| 248 | T | 93.2 | Very high | 90.8 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.043 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.5 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | L203 L207 T244 A245 T250 Q251 I252 | L203-T248 HydrophobicContact CB-CG2 4.4Å; L203-T248 HydrophobicContact CD2-CG2 4.22Å; L207-T248 HydrophobicContact CB-CG2 4.07Å; T244-T248 WeakPolarHBondContact O-CB 3.24Å; T244-T248 PolarHBondContact O-N 3.29Å; T244-T248 PolarHBondContact O-OG1 3.44Å; A245-T248 PolarHBondContact O-N 3.29Å; T248-T250 VanDerWaalsContact C-N 3.33Å; T248-T250 PolarHBondContact O-N 3.41Å; T248-Q251 PolarHBondContact O-N 3.41Å; T248-I252 HydrophobicContact CG2-CD1 3.63Å; T248-I252 HydrophobicContact CG2-CG1 4.29Å; T248-I252 WeakPolarHBondContact O-CB 3.37Å; T248-I252 VanDerWaalsContact O-CG1 3.23Å; T248-I252 WeakPolarHBondContact O-CG1 3.45Å; T248-I252 PolarHBondContact O-N 3.26Å |
| 249 | L | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 175.5 | -79.5 | 166.4 | 0 | 0 | 0 | 112 | V226 C229 Y230 A245 R246 Q251 I252 I253 L502 L506 | V226-L249 HydrophobicContact CG1-CD2 4.13Å; V226-L249 WeakPolarHBondContact O-CD2 3.46Å; C229-L249 HydrophobicContact CB-CD1 4.44Å; C229-L249 HydrophobicContact CB-CD2 3.45Å; C229-L249 VanDerWaalsContact CB-CD2 3.45Å; C229-L249 HydrophobicContact CB-CG 3.7Å; Y230-L249 HydrophobicContact CD2-CD1 4.49Å; A245-L249 WeakPolarHBondContact O-CB 3.29Å; A245-L249 WeakPolarHBondContact O-CG 3.25Å; A245-L249 PolarHBondContact O-N 2.98Å; R246-L249 PolarHBondContact O-N 3.27Å; L249-Q251 PolarHBondContact O-N 2.85Å; L249-I252 PolarHBondContact O-N 2.77Å; L249-I253 WeakPolarHBondContact O-CB 3.42Å; L249-I253 WeakPolarHBondContact O-CD1 3.37Å; L249-I253 VanDerWaalsContact O-CG1 3.25Å; L249-I253 WeakPolarHBondContact O-CG1 3.28Å; L249-I253 PolarHBondContact O-N 2.98Å; L249-L502 HydrophobicContact CD1-CD2 3.94Å; L249-L506 HydrophobicContact CB-CD1 4.28Å; L249-L506 HydrophobicContact CB-CD2 4.08Å; L249-L506 HydrophobicContact CD1-CD1 4.3Å |
| 250 | T | 92.5 | Very high | 91 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 179.2 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | R246 A247 T248 I253 S254 N509 | R246-T250 PolarHBondContact O-N 3.03Å; R246-T250 PolarHBondContact O-OG1 2.83Å; A247-T250 PolarHBondContact O-N 3.38Å; T248-T250 VanDerWaalsContact C-N 3.33Å; T248-T250 PolarHBondContact O-N 3.41Å; T250-I253 PolarHBondContact O-N 2.83Å; T250-S254 WeakPolarHBondContact O-CB 3.35Å; T250-S254 PolarHBondContact O-N 2.89Å; T250-S254 PolarHBondContact O-OG 2.9Å; T250-S254 VanDerWaalsContact O-OG 3.07Å; T250-N509 HydrophobicContact CG2-CB 4.45Å |
| 251 | Q | 91.4 | Very high | 91.2 | Very high | 95 Ų | 95 | 37.4 Ų | 37.4 | 44% | 0.444 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.8 | -44 | 178.5 | -71.9 | 175.7 | 1.9 | 0 | 0 | 112.7 | L207 A247 T248 L249 I253 S254 V255 | L207-Q251 HydrophobicContact CD1-CB 3.74Å; A247-Q251 WeakPolarHBondContact O-CG 3.45Å; A247-Q251 PolarHBondContact O-N 2.94Å; T248-Q251 PolarHBondContact O-N 3.41Å; L249-Q251 PolarHBondContact O-N 2.85Å; Q251-I253 VanDerWaalsContact C-N 3.32Å; Q251-I253 PolarHBondContact O-N 3.48Å; Q251-S254 PolarHBondContact O-N 3.33Å; Q251-V255 WeakPolarHBondContact O-CB 3.37Å; Q251-V255 WeakPolarHBondContact O-CG2 3.47Å; Q251-V255 PolarHBondContact O-N 3.36Å |
| 252 | I | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.2 | -49.5 | 176.6 | -74 | 170 | 0 | 0 | 0 | 109.9 | L207 I210 V225 V226 T248 L249 V255 L256 | L207-I252 HydrophobicContact CD1-CG1 4.15Å; I210-I252 HydrophobicContact CB-CG1 4.24Å; I210-I252 HydrophobicContact CD1-CG2 4.38Å; I210-I252 HydrophobicContact CG1-CD1 4.48Å; I210-I252 HydrophobicContact CG1-CG1 4.1Å; I210-I252 HydrophobicContact CG1-CG2 4.04Å; I210-I252 HydrophobicContact CG2-CB 4.46Å; I210-I252 HydrophobicContact CG2-CG1 4.39Å; I210-I252 HydrophobicContact CG2-CG2 4.21Å; V225-I252 HydrophobicContact CG1-CD1 3.91Å; V226-I252 HydrophobicContact CG2-CG2 3.98Å; T248-I252 HydrophobicContact CG2-CD1 3.63Å; T248-I252 HydrophobicContact CG2-CG1 4.29Å; T248-I252 WeakPolarHBondContact O-CB 3.37Å; T248-I252 VanDerWaalsContact O-CG1 3.23Å; T248-I252 WeakPolarHBondContact O-CG1 3.45Å; T248-I252 PolarHBondContact O-N 3.26Å; L249-I252 PolarHBondContact O-N 2.77Å; I252-V255 PolarHBondContact O-N 3.4Å; I252-L256 HydrophobicContact CG2-CD1 4.15Å; I252-L256 VanDerWaalsContact O-CG 3.28Å; I252-L256 WeakPolarHBondContact O-CG 3.28Å; I252-L256 PolarHBondContact O-N 3.13Å |
| 253 | I | 91.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | -179.7 | -71.3 | 165.4 | 0 | 0 | 0 | 110.9 | L249 T250 Q251 V255 L256 F257 V472 L476 L506 L510 | L249-I253 WeakPolarHBondContact O-CB 3.42Å; L249-I253 WeakPolarHBondContact O-CD1 3.37Å; L249-I253 VanDerWaalsContact O-CG1 3.25Å; L249-I253 WeakPolarHBondContact O-CG1 3.28Å; L249-I253 PolarHBondContact O-N 2.98Å; T250-I253 PolarHBondContact O-N 2.83Å; Q251-I253 VanDerWaalsContact C-N 3.32Å; Q251-I253 PolarHBondContact O-N 3.48Å; I253-V255 VanDerWaalsContact C-N 3.33Å; I253-V255 PolarHBondContact O-N 2.87Å; I253-L256 PolarHBondContact O-N 3.15Å; I253-F257 HydrophobicContact CG2-CD2 4.24Å; I253-F257 HydrophobicContact CG2-CE2 4.32Å; I253-F257 WeakPolarHBondContact O-CD2 3.43Å; I253-F257 PolarHBondContact O-N 3.5Å; I253-F257 VanDerWaalsContact O-N 3.11Å; I253-V472 HydrophobicContact CG1-CG1 4.11Å; I253-L476 HydrophobicContact CD1-CD1 3.92Å; I253-L506 HydrophobicContact CD1-CB 4.17Å; I253-L506 HydrophobicContact CD1-CD1 3.94Å; I253-L506 HydrophobicContact CD1-CD2 4.08Å; I253-L506 HydrophobicContact CD1-CG 4.28Å; I253-L510 HydrophobicContact CG2-CD1 3.66Å; I253-L510 HydrophobicContact CG2-CD2 3.32Å; I253-L510 HydrophobicContact CG2-CG 3.54Å |
| 254 | S | 90.6 | Very high | 90.6 | Very high | 59 Ų | 59 | 38.7 Ų | 38.7 | 41% | 0.413 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 177.4 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | T250 Q251 F257 Q258 | T250-S254 WeakPolarHBondContact O-CB 3.35Å; T250-S254 PolarHBondContact O-N 2.89Å; T250-S254 PolarHBondContact O-OG 2.9Å; T250-S254 VanDerWaalsContact O-OG 3.07Å; Q251-S254 PolarHBondContact O-N 3.33Å; S254-F257 PolarHBondContact O-N 3.07Å; S254-Q258 VanDerWaalsContact O-CB 3.3Å; S254-Q258 WeakPolarHBondContact O-CB 3.25Å; S254-Q258 PolarHBondContact O-N 2.88Å |
| 255 | V | 90.9 | Very high | 90.1 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 178 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | I210 T211 Q251 I252 I253 Q258 R259 | I210-V255 HydrophobicContact CG2-CB 4.13Å; I210-V255 HydrophobicContact CG2-CG1 3.86Å; T211-V255 HydrophobicContact CG2-CG2 4.1Å; Q251-V255 WeakPolarHBondContact O-CB 3.37Å; Q251-V255 WeakPolarHBondContact O-CG2 3.47Å; Q251-V255 PolarHBondContact O-N 3.36Å; I252-V255 PolarHBondContact O-N 3.4Å; I253-V255 VanDerWaalsContact C-N 3.33Å; I253-V255 PolarHBondContact O-N 2.87Å; V255-Q258 PolarHBondContact O-N 2.92Å; V255-R259 HydrophobicContact CG1-CG 4.44Å; V255-R259 WeakPolarHBondContact O-CB 3.36Å; V255-R259 WeakPolarHBondContact O-CG 3.43Å; V255-R259 PolarHBondContact O-N 3.27Å |
| 256 | L | 90.3 | Very high | 89.6 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 177.1 | -70.5 | 172.4 | 0 | 0 | 0 | 111.9 | I210 I222 I252 I253 R259 M260 V472 | I210-L256 HydrophobicContact CD1-CD2 4.47Å; I222-L256 HydrophobicContact CD1-CD2 3.76Å; I222-L256 HydrophobicContact CG1-CD2 4.42Å; I222-L256 HydrophobicContact CG2-CD1 3.58Å; I222-L256 HydrophobicContact CG2-CD2 4.29Å; I252-L256 HydrophobicContact CG2-CD1 4.15Å; I252-L256 VanDerWaalsContact O-CG 3.28Å; I252-L256 WeakPolarHBondContact O-CG 3.28Å; I252-L256 PolarHBondContact O-N 3.13Å; I253-L256 PolarHBondContact O-N 3.15Å; L256-R259 PolarHBondContact O-N 2.9Å; L256-M260 PolarHBondContact O-N 3.45Å; L256-V472 HydrophobicContact CD1-CG2 4.06Å |
| 257 | F | 92.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 42.8 Ų | 42.8 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.2 | -38.5 | 177.4 | -83.2 | -104 | 0 | 0 | 0 | 112 | I253 S254 R259 M260 E261 A469 F473 L510 F518 F524 | I253-F257 HydrophobicContact CG2-CD2 4.24Å; I253-F257 HydrophobicContact CG2-CE2 4.32Å; I253-F257 WeakPolarHBondContact O-CD2 3.43Å; I253-F257 PolarHBondContact O-N 3.5Å; I253-F257 VanDerWaalsContact O-N 3.11Å; S254-F257 PolarHBondContact O-N 3.07Å; F257-R259 VanDerWaalsContact C-N 3.33Å; F257-R259 PolarHBondContact O-N 3.4Å; F257-M260 HydrophobicContact CD1-CE 3.77Å; F257-M260 HydrophobicContact CE1-CE 4.29Å; F257-M260 WeakPolarHBondContact O-CB 3.05Å; F257-M260 PolarHBondContact O-N 2.97Å; F257-E261 VanDerWaalsContact O-CG 3.3Å; F257-E261 WeakPolarHBondContact O-CG 3.3Å; F257-E261 PolarHBondContact O-N 2.84Å; F257-A469 HydrophobicContact CD2-CB 4.23Å; F257-A469 HydrophobicContact CE1-CB 4.28Å; F257-A469 HydrophobicContact CE2-CB 4Å; F257-A469 HydrophobicContact CZ-CB 4.03Å; F257-F473 HydrophobicContact CZ-CB 4.25Å; F257-L510 HydrophobicContact CB-CD2 4.38Å; F257-L510 HydrophobicContact CD1-CD2 4.03Å; F257-L510 HydrophobicContact CD2-CD2 3.45Å; F257-L510 VanDerWaalsContact CD2-CD2 3.45Å; F257-L510 HydrophobicContact CE1-CD2 4.14Å; F257-L510 HydrophobicContact CE2-CD1 3.88Å; F257-L510 HydrophobicContact CE2-CD2 3.58Å; F257-L510 HydrophobicContact CE2-CG 4.39Å; F257-L510 HydrophobicContact CG-CD2 3.67Å; F257-L510 HydrophobicContact CZ-CD1 3.96Å; F257-L510 HydrophobicContact CZ-CD2 3.93Å; F257-F518 HydrophobicContact CD1-CD2 4.29Å; F257-F518 HydrophobicContact CD1-CG 4.33Å; F257-F518 AromaticContact CE1-CD2 3.62Å; F257-F518 HydrophobicContact CE1-CD2 3.62Å; F257-F518 AromaticContact CE1-CE2 3.7Å; F257-F518 HydrophobicContact CE1-CE2 3.7Å; F257-F518 HydrophobicContact CE1-CG 4.06Å; F257-F518 HydrophobicContact CE1-CZ 4.21Å; F257-F518 HydrophobicContact CZ-CE2 4.39Å; F257-F524 HydrophobicContact CE1-CE1 4.49Å |
| 258 | Q | 90.2 | Very high | 88.1 | Confident | 137 Ų | 137 | 42.9 Ų | 42.9 | 64% | 0.64 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62.2 | -40.6 | 174.7 | -174.7 | -178.7 | -1.4 | 0 | 0 | 112 | S254 V255 E261 Q262 | S254-Q258 VanDerWaalsContact O-CB 3.3Å; S254-Q258 WeakPolarHBondContact O-CB 3.25Å; S254-Q258 PolarHBondContact O-N 2.88Å; V255-Q258 PolarHBondContact O-N 2.92Å; Q258-E261 PolarHBondContact O-N 3.42Å; Q258-Q262 WeakPolarHBondContact O-CB 3.34Å; Q258-Q262 PolarHBondContact O-N 3.44Å |
| 259 | R | 88.8 | Confident | 87.3 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 25% | 0.249 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64 | -42.7 | 174.8 | -77.2 | -179.9 | 177.2 | -165.3 | -4.1 | 111.7 | I210 S212 V255 L256 F257 Q262 N263 | I210-R259 PolarHBondContact O-NH1 3.14Å; I210-R259 PolarHBondContact O-NH2 3.5Å; S212-R259 PolarHBondContact O-NH2 3.37Å; V255-R259 HydrophobicContact CG1-CG 4.44Å; V255-R259 WeakPolarHBondContact O-CB 3.36Å; V255-R259 WeakPolarHBondContact O-CG 3.43Å; V255-R259 PolarHBondContact O-N 3.27Å; L256-R259 PolarHBondContact O-N 2.9Å; F257-R259 VanDerWaalsContact C-N 3.33Å; F257-R259 PolarHBondContact O-N 3.4Å; R259-Q262 PolarHBondContact O-N 2.9Å; R259-N263 VanDerWaalsContact O-CB 3.32Å; R259-N263 WeakPolarHBondContact O-CB 3.28Å; R259-N263 VanDerWaalsContact O-CG 3.24Å; R259-N263 PolarHBondContact O-N 2.95Å; R259-N263 PolarHBondContact O-OD1 3.43Å |
| 260 | M | 90.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 174.4 | 175.6 | -166.9 | 74.4 | 0 | 0 | 111.5 | L256 F257 A264 Q466 A469 L517 F518 F524 | L256-M260 PolarHBondContact O-N 3.45Å; F257-M260 HydrophobicContact CD1-CE 3.77Å; F257-M260 HydrophobicContact CE1-CE 4.29Å; F257-M260 WeakPolarHBondContact O-CB 3.05Å; F257-M260 PolarHBondContact O-N 2.97Å; M260-A264 WeakPolarHBondContact O-CB 3.45Å; M260-A264 PolarHBondContact O-N 2.86Å; M260-Q466 HydrophobicContact CG-CB 4.25Å; M260-Q466 HydrophobicContact SD-CB 4.47Å; M260-Q466 HydrophobicContact SD-CG 4.23Å; M260-A469 HydrophobicContact CB-CB 4.39Å; M260-A469 HydrophobicContact CG-CB 4.46Å; M260-A469 HydrophobicContact SD-CB 3.52Å; M260-A469 VanDerWaalsContact SD-CB 3.52Å; M260-L517 HydrophobicContact CE-CD2 4.22Å; M260-L517 HydrophobicContact CG-CD2 3.68Å; M260-L517 HydrophobicContact SD-CD2 4.07Å; M260-F518 HydrophobicContact CE-CB 4.1Å; M260-F524 HydrophobicContact CE-CE2 4.13Å; M260-F524 HydrophobicContact CE-CZ 4.37Å; M260-F524 HydrophobicContact SD-CE2 3.47Å; M260-F524 WeakPolarHBondContact SD-CE2 3.39Å; M260-F524 HydrophobicContact SD-CZ 3.53Å; M260-F524 VanDerWaalsContact SD-CZ 3.53Å |
| 261 | E | 90.8 | Very high | 84.9 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | 178.8 | -66.1 | -68.4 | 167.4 | 0 | 0 | 111.9 | F257 Q258 A264 F265 G515 P516 L517 F518 | F257-E261 VanDerWaalsContact O-CG 3.3Å; F257-E261 WeakPolarHBondContact O-CG 3.3Å; F257-E261 PolarHBondContact O-N 2.84Å; Q258-E261 PolarHBondContact O-N 3.42Å; E261-A264 PolarHBondContact O-N 3.35Å; E261-F265 WeakPolarHBondContact O-CB 3.3Å; E261-F265 PolarHBondContact O-N 3.44Å; E261-G515 VanDerWaalsContact CD-CA 3.49Å; E261-G515 WeakPolarHBondContact OE1-CA 3.28Å; E261-P516 WeakPolarHBondContact OE2-CD 3.33Å; E261-P516 WeakPolarHBondContact OE2-CG 3.44Å; E261-L517 PolarHBondContact OE1-N 3.11Å; E261-L517 WeakPolarHBondContact OE2-CB 3.43Å; E261-L517 PolarHBondContact OE2-N 3.04Å; E261-F518 PolarHBondContact OE1-N 3.24Å |
| 262 | Q | 86.6 | Confident | 83.3 | Confident | 91 Ų | 91 | 52.8 Ų | 52.8 | 43% | 0.425 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 178.8 | -176.4 | 63 | 32.1 | 0 | 0 | 111.9 | Q258 R259 A264 F265 E266 | Q258-Q262 WeakPolarHBondContact O-CB 3.34Å; Q258-Q262 PolarHBondContact O-N 3.44Å; R259-Q262 PolarHBondContact O-N 2.9Å; Q262-A264 VanDerWaalsContact C-N 3.34Å; Q262-A264 PolarHBondContact O-N 3.46Å; Q262-F265 WeakPolarHBondContact O-CB 3.44Å; Q262-F265 PolarHBondContact O-N 3.33Å; Q262-E266 PolarHBondContact NE2-OE1 3.4Å; Q262-E266 WeakPolarHBondContact O-CG 3.48Å; Q262-E266 PolarHBondContact O-N 3Å |
| 263 | N | 86 | Confident | 81.5 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 16% | 0.16 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68 | -35.9 | -178.7 | -71 | 16.3 | 0 | 0 | 0 | 111.7 | R259 A267 S461 A462 T465 | R259-N263 VanDerWaalsContact O-CB 3.32Å; R259-N263 WeakPolarHBondContact O-CB 3.28Å; R259-N263 VanDerWaalsContact O-CG 3.24Å; R259-N263 PolarHBondContact O-N 2.95Å; R259-N263 PolarHBondContact O-OD1 3.43Å; N263-A267 WeakPolarHBondContact O-CB 3.42Å; N263-A267 PolarHBondContact O-N 3.26Å; N263-S461 PolarHBondContact ND2-OG 3.04Å; N263-S461 VanDerWaalsContact ND2-OG 3.15Å; N263-A462 HydrophobicContact CB-CB 4.41Å; N263-T465 WeakPolarHBondContact ND2-CG2 3.33Å |
| 264 | A | 82.6 | Confident | 79.3 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 20% | 0.198 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M260 E261 Q262 A267 A268 L517 | M260-A264 WeakPolarHBondContact O-CB 3.45Å; M260-A264 PolarHBondContact O-N 2.86Å; E261-A264 PolarHBondContact O-N 3.35Å; Q262-A264 VanDerWaalsContact C-N 3.34Å; Q262-A264 PolarHBondContact O-N 3.46Å; A264-A267 PolarHBondContact O-N 3.08Å; A264-A268 WeakPolarHBondContact O-CB 3.32Å; A264-A268 PolarHBondContact O-N 3.14Å; A264-L517 HydrophobicContact CB-CD1 4.18Å; A264-L517 HydrophobicContact CB-CD2 3.61Å; A264-L517 HydrophobicContact CB-CG 4.32Å |
| 265 | F | 82.7 | Confident | 76.8 | Confident | 126 Ų | 126 | 67 Ų | 67 | 55% | 0.553 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.5 | -45.2 | 174.5 | -179.7 | -104.7 | 0 | 0 | 0 | 112.1 | E261 Q262 A268 I269 | E261-F265 WeakPolarHBondContact O-CB 3.3Å; E261-F265 PolarHBondContact O-N 3.44Å; Q262-F265 WeakPolarHBondContact O-CB 3.44Å; Q262-F265 PolarHBondContact O-N 3.33Å; F265-A268 PolarHBondContact O-N 3.44Å; F265-I269 HydrophobicContact CD1-CD1 3.81Å; F265-I269 HydrophobicContact CE1-CD1 3.27Å; F265-I269 HydrophobicContact CE1-CG1 4.32Å; F265-I269 HydrophobicContact CE2-CD1 4.31Å; F265-I269 HydrophobicContact CZ-CD1 3.57Å; F265-I269 HydrophobicContact CZ-CG1 4.32Å; F265-I269 WeakPolarHBondContact O-CG1 3.46Å; F265-I269 PolarHBondContact O-N 3Å |
| 266 | E | 81.4 | Confident | 74 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 175.8 | -73.6 | 175 | -165.9 | 0 | 0 | 112.3 | Q262 A268 I269 A270 V458 | Q262-E266 PolarHBondContact NE2-OE1 3.4Å; Q262-E266 WeakPolarHBondContact O-CG 3.48Å; Q262-E266 PolarHBondContact O-N 3Å; E266-A268 VanDerWaalsContact C-N 3.34Å; E266-A268 PolarHBondContact O-N 2.9Å; E266-I269 PolarHBondContact O-N 3.4Å; E266-A270 WeakPolarHBondContact O-CB 3.48Å; E266-A270 PolarHBondContact O-N 3.05Å; E266-V458 HydrophobicContact CB-CG1 4.44Å |
| 267 | A | 77.8 | Confident | 71.6 | Confident | 9 Ų | 9 | 76.6 Ų | 76.6 | 7% | 0.074 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N263 A264 A270 M271 V458 A462 | N263-A267 WeakPolarHBondContact O-CB 3.42Å; N263-A267 PolarHBondContact O-N 3.26Å; A264-A267 PolarHBondContact O-N 3.08Å; A267-A270 PolarHBondContact O-N 3.12Å; A267-M271 WeakPolarHBondContact O-CG 3.43Å; A267-M271 PolarHBondContact O-N 3.43Å; A267-V458 HydrophobicContact CB-CG1 4.33Å; A267-A462 HydrophobicContact CB-CB 3.93Å |
| 268 | A | 75.2 | Confident | 68.6 | Low | 47 Ų | 47 | 83.5 Ų | 83.5 | 39% | 0.388 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A264 F265 E266 M271 N272 | A264-A268 WeakPolarHBondContact O-CB 3.32Å; A264-A268 PolarHBondContact O-N 3.14Å; F265-A268 PolarHBondContact O-N 3.44Å; E266-A268 VanDerWaalsContact C-N 3.34Å; E266-A268 PolarHBondContact O-N 2.9Å; A268-M271 PolarHBondContact O-N 2.92Å; A268-N272 WeakPolarHBondContact O-CB 3.32Å; A268-N272 PolarHBondContact O-N 3.48Å |
| 269 | I | 76.2 | Confident | 65.8 | Low | 90 Ų | 90 | 82.8 Ų | 82.8 | 46% | 0.462 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 173.6 | -69.3 | 172.7 | 0 | 0 | 0 | 110.7 | F265 E266 M271 N272 A273 | F265-I269 HydrophobicContact CD1-CD1 3.81Å; F265-I269 HydrophobicContact CE1-CD1 3.27Å; F265-I269 HydrophobicContact CE1-CG1 4.32Å; F265-I269 HydrophobicContact CE2-CD1 4.31Å; F265-I269 HydrophobicContact CZ-CD1 3.57Å; F265-I269 HydrophobicContact CZ-CG1 4.32Å; F265-I269 WeakPolarHBondContact O-CG1 3.46Å; F265-I269 PolarHBondContact O-N 3Å; E266-I269 PolarHBondContact O-N 3.4Å; I269-M271 VanDerWaalsContact C-N 3.28Å; I269-M271 PolarHBondContact O-N 3.42Å; I269-N272 PolarHBondContact O-N 3.17Å; I269-A273 PolarHBondContact O-N 3.41Å |
| 270 | A | 70.9 | Confident | 62.8 | Low | 28 Ų | 28 | 86.9 Ų | 86.9 | 23% | 0.231 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E266 A267 | E266-A270 WeakPolarHBondContact O-CB 3.48Å; E266-A270 PolarHBondContact O-N 3.05Å; A267-A270 PolarHBondContact O-N 3.12Å |
| 271 | M | 65.4 | Low | 59.7 | Low | 114 Ų | 114 | 91.9 Ų | 91.9 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.4 | -39.9 | 173.5 | -74.4 | -176.6 | 176.9 | 0 | 0 | 112.6 | A267 A268 I269 H274 V459 | A267-M271 WeakPolarHBondContact O-CG 3.43Å; A267-M271 PolarHBondContact O-N 3.43Å; A268-M271 PolarHBondContact O-N 2.92Å; I269-M271 VanDerWaalsContact C-N 3.28Å; I269-M271 PolarHBondContact O-N 3.42Å; M271-H274 PolarHBondContact O-N 3.04Å; M271-V459 HydrophobicContact CE-CG1 4.06Å; M271-V459 HydrophobicContact CE-CG2 3.95Å |
| 272 | N | 57.9 | Low | 56.7 | Low | 109 Ų | 109 | 97.6 Ų | 97.6 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.2 | -28.9 | 180 | -80.7 | -22.7 | 0 | 0 | 0 | 113.6 | A268 I269 H274 I275 | A268-N272 WeakPolarHBondContact O-CB 3.32Å; A268-N272 PolarHBondContact O-N 3.48Å; I269-N272 PolarHBondContact O-N 3.17Å; N272-H274 PolarHBondContact O-N 2.99Å; N272-H274 VanDerWaalsContact O-N 3.1Å; N272-I275 PolarHBondContact O-N 3.49Å; N272-I275 VanDerWaalsContact O-N 3.14Å |
| 273 | A | 53.6 | Low | 53.8 | Low | 81 Ų | 81 | 99.7 Ų | 99.7 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -15.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I269 I275 | I269-A273 PolarHBondContact O-N 3.41Å; A273-I275 PolarHBondContact O-N 3.2Å |
| 274 | H | 44.4 | Very low | 51.3 | Low | 149 Ų | 149 | 103.8 Ų | 103.8 | 69% | 0.69 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -2.7 | 175 | -99.5 | -81.4 | 0 | 0 | 0 | 114.7 | M271 N272 | M271-H274 PolarHBondContact O-N 3.04Å; N272-H274 PolarHBondContact O-N 2.99Å; N272-H274 VanDerWaalsContact O-N 3.1Å |
| 275 | I | 38.1 | Very low | 48.5 | Very low | 132 Ų | 132 | 110.3 Ų | 110.3 | 68% | 0.677 | 65% | 0.645 | S | S | * | * | trans | -111.1 | 70.7 | -177.6 | -47.6 | 178 | 0 | 0 | 0 | 110.5 | N272 A273 | N272-I275 PolarHBondContact O-N 3.49Å; N272-I275 VanDerWaalsContact O-N 3.14Å; A273-I275 PolarHBondContact O-N 3.2Å | ||
| 276 | S | 32.2 | Very low | 45.6 | Very low | 111 Ų | 111 | 111.3 Ų | 111.3 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | trans | -161.5 | 112.2 | 155.7 | -82.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 277 | P | 39.4 | Very low | 42.7 | Very low | 127 Ų | 127 | 112.3 Ų | 112.3 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | -91.1 | 146.8 | -170.1 | 33.9 | -31.5 | 0 | 0 | 0 | 113.8 | ||||
| 278 | N | 30.2 | Very low | 40.1 | Very low | 163 Ų | 163 | 119.1 Ų | 119.1 | 87% | 0.872 | 70% | 0.695 | S | S | * | * | trans | -35.9 | 127.3 | 171.2 | -68.8 | -26.7 | 0 | 0 | 0 | 114.7 | ||||
| 279 | S | 31 | Very low | 37.6 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | trans | -125 | 121.9 | 149.8 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 280 | D | 26.5 | Very low | 35.2 | Very low | 152 Ų | 152 | 129 Ų | 129 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -76.2 | 140.1 | -175 | -93.4 | -39.2 | 0 | 0 | 0 | 112.7 | ||||
| 281 | S | 25.4 | Very low | 32.8 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | 65 | 100.7 | 149.9 | 69.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 282 | T | 26.6 | Very low | 30.7 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 91% | 0.908 | 76% | 0.757 | S | S | * | * | -151.7 | 135.9 | 129.2 | -5.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 283 | T | 26.1 | Very low | 29 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -63.6 | 145.6 | -162.6 | 43.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 284 | P | 34.1 | Very low | 28.5 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -90.7 | 128.1 | -176.5 | 35 | -28.9 | 0 | 0 | 0 | 111 | ||||
| 285 | D | 22.6 | Very low | 27.3 | Very low | 160 Ų | 160 | 133 Ų | 133 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | trans | -156.8 | 138.1 | 154.7 | -110.5 | -25.8 | 0 | 0 | 0 | 111.1 | ||||
| 286 | E | 22.3 | Very low | 26.6 | Very low | 147 Ų | 147 | 136 Ų | 136 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | 74 | 96.5 | 165.9 | -57.3 | -155.5 | 111.8 | 0 | 0 | 119.9 | K288 | E286-K288 IonicContact OE1-NZ 3.02Å; E286-K288 PolarHBondContact OE1-NZ 3.19Å | ||
| 287 | C | 20.9 | Very low | 26 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | 175.3 | 106.7 | 102.3 | -94.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 288 | K | 23.4 | Very low | 25.1 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 67% | 0.665 | 75% | 0.746 | S | S | * | * | 69 | 94.4 | 85.1 | -73.9 | 175.1 | -178.7 | 149.1 | 0 | 112.7 | E286 | E286-K288 IonicContact OE1-NZ 3.02Å; E286-K288 PolarHBondContact OE1-NZ 3.19Å | |||
| 289 | K | 22.6 | Very low | 24.6 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | 7.5 | 119.1 | 135.9 | -70.9 | 179.5 | 172.7 | -175 | 0 | 116 | ||||
| 290 | I | 25.2 | Very low | 24.1 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -140.9 | 90.2 | 153 | -55.8 | 177.7 | 0 | 0 | 0 | 102.7 | ||||
| 291 | E | 21.8 | Very low | 23.8 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | 48.7 | 84.9 | 70.9 | -97.3 | 178.6 | -163.2 | 0 | 0 | 113.9 | |||||
| 292 | Q | 21.1 | Very low | 23.5 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 59% | 0.593 | 73% | 0.729 | S | S | * | * | 38.2 | 127.6 | 125.5 | -80.3 | -173.3 | -15.8 | 0 | 0 | 120.2 | |||||
| 293 | L | 20.9 | Very low | 23.2 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | trans | 138.3 | 155.1 | 134 | -106.1 | 79.6 | 0 | 0 | 0 | 113 | ||||
| 294 | P | 43.3 | Very low | 22.9 | Very low | 81 Ų | 81 | 137 Ų | 137 | 53% | 0.526 | 72% | 0.72 | S | S | . | * | -135.1 | 163.2 | -56 | 34.9 | -15 | 0 | 0 | 0 | 113.8 | |||||
| 295 | S | 20.2 | Very low | 22.3 | Very low | 47 Ų | 47 | 137.8 Ų | 137.8 | 33% | 0.329 | 72% | 0.718 | S | S | . | * | trans | -44.2 | 131.8 | 160.9 | 58.5 | 0 | 0 | 0 | 0 | 116.1 | E39 | E39-S295 PolarHBondContact O-N 3.05Š| ||
| 296 | E | 22.3 | Very low | 22.2 | Very low | 195 Ų | 195 | 138.6 Ų | 138.6 | 91% | 0.911 | 72% | 0.717 | S | S | * | * | trans | -142 | 129.5 | 143.9 | -85.3 | -160.9 | 159.2 | 0 | 0 | 112.9 | ||||
| 297 | N | 20.3 | Very low | 22.2 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | trans | -58.8 | 145 | 175 | -62.8 | -61.8 | 0 | 0 | 0 | 112.7 | ||||
| 298 | S | 20.6 | Very low | 22.2 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | 159.4 | 112.9 | 108.5 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 299 | T | 20 | Very low | 22.2 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | 46.9 | 127.5 | 124.3 | -14 | 0 | 0 | 0 | 0 | 119 | |||||
| 300 | K | 19.7 | Very low | 22.1 | Very low | 182 Ų | 182 | 137 Ų | 137 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | trans | 70.2 | 109 | 147.6 | -94.3 | 174.3 | -177 | -179 | 0 | 114.4 | ||||
| 301 | I | 20.1 | Very low | 22 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | 167.4 | 128.8 | 108.8 | -86.9 | 149.1 | 0 | 0 | 0 | 108.2 | |||||
| 302 | S | 20 | Very low | 22 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | trans | -31.3 | 136.9 | 153.4 | 49 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 303 | F | 19.1 | Very low | 22.1 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | 178.7 | 136.3 | 124.5 | -105.4 | -78.5 | 0 | 0 | 0 | 110.5 | |||||
| 304 | V | 21.4 | Very low | 22.1 | Very low | 118 Ų | 118 | 141 Ų | 141 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | trans | -45.8 | 136.8 | 162 | -171.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 305 | N | 20.8 | Very low | 21.1 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | 156.6 | 107.1 | 134 | -82.3 | -10.6 | 0 | 0 | 0 | 107.9 | ||||
| 306 | E | 20.5 | Very low | 21.2 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | 52.4 | 130.6 | 90 | -95.3 | -169.6 | 168.9 | 0 | 0 | 114.7 | |||||
| 307 | S | 21.4 | Very low | 21.2 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 114.2 | 96.6 | 164.7 | 68.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 308 | D | 22.1 | Very low | 21.3 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | 85.9 | 100.3 | 81.4 | -167 | 15.6 | 0 | 0 | 0 | 111.3 | |||||
| 309 | S | 23 | Very low | 21.4 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -158.9 | 86.8 | 153.6 | 66 | 0 | 0 | 0 | 0 | 112 | ||||
| 310 | R | 20.7 | Very low | 21.6 | Very low | 207 Ų | 207 | 152.7 Ų | 152.7 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | 2.2 | 134.8 | 137 | -59.5 | 174.4 | -176.2 | 177.1 | -1.5 | 117.7 | ||||
| 311 | K | 23.1 | Very low | 21.8 | Very low | 191 Ų | 191 | 152.4 Ų | 152.4 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | 167.1 | 104.4 | 121.8 | -89.6 | 165.2 | -177.6 | -174.9 | 0 | 107.7 | |||||
| 312 | D | 22 | Very low | 21.9 | Very low | 148 Ų | 148 | 152.3 Ų | 152.3 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | 55.1 | 106.4 | 93.6 | -73.6 | -34 | 0 | 0 | 0 | 113 | |||||
| 313 | E | 22.6 | Very low | 22.1 | Very low | 189 Ų | 189 | 151.9 Ų | 151.9 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | 177.4 | 102.6 | 119.9 | -94.9 | 176 | -175.5 | 0 | 0 | 112.7 | |||||
| 314 | N | 21.8 | Very low | 22.2 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | 31.4 | 116.7 | 124.9 | -76.4 | -23.9 | 0 | 0 | 0 | 121.8 | |||||
| 315 | N | 21.7 | Very low | 22.4 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | 79.1 | 137.8 | 122.9 | -99.6 | -12.9 | 0 | 0 | 0 | 122.7 | |||||
| 316 | T | 23 | Very low | 22.5 | Very low | 137 Ų | 137 | 150.9 Ų | 150.9 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | 75.7 | 126.3 | 161.4 | 62.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 317 | G | 21.7 | Very low | 22.8 | Very low | 71 Ų | 71 | 151 Ų | 151 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | cis | 114.9 | 84.1 | 15.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 318 | E | 21.6 | Very low | 22.9 | Very low | 192 Ų | 192 | 152.9 Ų | 152.9 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -142.4 | 102.1 | 169 | -73.3 | -170.5 | 147.5 | 0 | 0 | 109 | ||||
| 319 | K | 23.4 | Very low | 23 | Very low | 208 Ų | 208 | 150.2 Ų | 150.2 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | 66.3 | 92.2 | 83.6 | -87.3 | -174.8 | 174.3 | 177.3 | 0 | 114.9 | |||||
| 320 | L | 24.5 | Very low | 22.9 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87 | 145.1 | 160.4 | -75.2 | 163.8 | 0 | 0 | 0 | 110.5 | ||
| 321 | L | 23.7 | Very low | 23 | Very low | 176 Ų | 176 | 147 Ų | 147 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 144.7 | -164.9 | -81.1 | 144.9 | 0 | 0 | 0 | 115.5 | ||
| 322 | N | 21.9 | Very low | 23.2 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 144.5 | 174.6 | -73.7 | -21 | 0 | 0 | 0 | 113.2 | ||
| 323 | G | 24.4 | Very low | 24.2 | Very low | 82 Ų | 82 | 140.8 Ų | 140.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -127.5 | 105.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 324 | D | 21.9 | Very low | 24.4 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -68.7 | 145.8 | -178.9 | -71.6 | -55.8 | 0 | 0 | 0 | 113.4 | ||||
| 325 | T | 24.6 | Very low | 24.4 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | -178.6 | 110.3 | 120 | 21.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 326 | H | 22.3 | Very low | 24.5 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | 44 | 103.4 | 131.8 | -78.7 | -89.1 | 0 | 0 | 0 | 120.7 | ||||
| 327 | I | 28 | Very low | 24.5 | Very low | 180 Ų | 180 | 138 Ų | 138 | 92% | 0.923 | 81% | 0.811 | S | S | * | * | -139.8 | 116.1 | 125.5 | -56.8 | -175.2 | 0 | 0 | 0 | 108.3 | |||||
| 328 | N | 22.7 | Very low | 24.6 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -116.3 | 139.4 | -178.2 | -125.4 | -11 | 0 | 0 | 0 | 108.1 | ||||
| 329 | G | 25.1 | Very low | 24.7 | Very low | 72 Ų | 72 | 135.4 Ų | 135.4 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 123.4 | 96.2 | 161 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 330 | C | 20 | Very low | 24.6 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | 76.2 | 118 | 76.8 | -103.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 331 | V | 22.1 | Very low | 25.5 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 96.2 | 124.6 | 135.1 | -177.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 332 | S | 27.7 | Very low | 25.6 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -42.2 | -168.6 | 168.4 | -33.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 333 | P | 43.6 | Very low | 25.6 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | cis | -128.6 | 172.9 | -13.2 | 27.6 | -2.1 | 0 | 0 | 0 | 110.8 | ||||
| 334 | D | 26.5 | Very low | 25.5 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | -174.1 | 125.3 | 87.7 | -86.6 | -32.4 | 0 | 0 | 0 | 108.9 | |||||
| 335 | A | 21.7 | Very low | 25.5 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -112 | 129.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 336 | D | 24.6 | Very low | 25.6 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -154.5 | 102.2 | 154 | -138.4 | 0.3 | 0 | 0 | 0 | 111.9 | ||||
| 337 | N | 23.5 | Very low | 25.9 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | 57.8 | 126.8 | 131.2 | -71 | -26.5 | 0 | 0 | 0 | 124.7 | ||||
| 338 | G | 22.5 | Very low | 26 | Very low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 101.1 | 133.8 | 141.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 339 | D | 23.9 | Very low | 26.3 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | cis | -174.5 | 134.8 | 1 | -114.7 | -23.2 | 0 | 0 | 0 | 107.8 | ||||
| 340 | I | 21.8 | Very low | 26.8 | Very low | 150 Ų | 150 | 132 Ų | 132 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 75 | 146.7 | 132.7 | -63.6 | 168.9 | 0 | 0 | 0 | 121 | ||||
| 341 | P | 42.3 | Very low | 27.4 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -119.3 | 161.8 | -142.4 | 41.5 | -29.2 | 0 | 0 | 0 | 116.6 | ||||
| 342 | T | 26.5 | Very low | 28 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | -155.2 | 103.7 | 157.6 | 47 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 343 | K | 21.8 | Very low | 28.4 | Very low | 179 Ų | 179 | 132 Ų | 132 | 78% | 0.778 | 73% | 0.734 | S | S | * | * | 54.1 | 119.2 | 99.5 | -94 | -167.2 | 176.1 | -170.1 | 0 | 117.3 | |||||
| 344 | E | 21.5 | Very low | 28.2 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | 68 | 136.9 | 156.2 | -61.5 | 169.2 | -160.5 | 0 | 0 | 114.8 | ||||
| 345 | D | 23.5 | Very low | 28.8 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | cis | -171.9 | 149.2 | 12.4 | -134.9 | -9.5 | 0 | 0 | 0 | 107.1 | ||||
| 346 | K | 25.5 | Very low | 29.6 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | trans | 64.4 | 109.9 | 160.8 | -56.6 | 179.1 | -177.3 | 177.8 | 0 | 120.2 | ||||
| 347 | D | 28.3 | Very low | 30.3 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | trans | -173.3 | 41.5 | 146.7 | -96.6 | -17.2 | 0 | 0 | 0 | 113.7 | E349 S350 | D347-E349 PolarHBondContact O-N 3.26Å; D347-S350 PolarHBondContact O-OG 2.93Å | ||
| 348 | S | 30.2 | Very low | 31 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -3.1 | 179.6 | 48.7 | 0 | 0 | 0 | 0 | 115.1 | ||
| 349 | E | 29 | Very low | 31.7 | Very low | 165 Ų | 165 | 128.5 Ų | 128.5 | 77% | 0.771 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -85.1 | -18.4 | -178.9 | -142.2 | 165.6 | -160.6 | 0 | 0 | 112.9 | D347 | D347-E349 PolarHBondContact O-N 3.26Å |
| 350 | S | 35.3 | Very low | 32.3 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82 | -23.3 | 179.3 | 68.9 | 0 | 0 | 0 | 0 | 114.4 | D347 K354 | D347-S350 PolarHBondContact O-OG 2.93Å; S350-K354 PolarHBondContact O-N 3.4Å |
| 351 | K | 33.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 71% | 0.713 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.6 | -30.9 | 179.6 | -88.5 | -177.4 | 176.4 | 178.6 | 0 | 113.4 | K354 I355 | K351-K354 PolarHBondContact O-N 3.25Å; K351-I355 WeakPolarHBondContact O-CG1 3.49Å; K351-I355 PolarHBondContact O-N 3.48Å |
| 352 | V | 33.8 | Very low | 32.7 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69 | -42.7 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | K354 I355 V356 | V352-K354 VanDerWaalsContact C-N 3.29Å; V352-K354 PolarHBondContact O-N 2.95Å; V352-I355 PolarHBondContact O-N 3.45Å; V352-V356 WeakPolarHBondContact O-CG2 3.42Å; V352-V356 PolarHBondContact O-N 2.92Å |
| 353 | N | 36 | Very low | 33 | Very low | 107 Ų | 107 | 125 Ų | 125 | 57% | 0.572 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.8 | -30.6 | 178.1 | -75.8 | -18.5 | 0 | 0 | 0 | 113.3 | V356 E357 | N353-V356 PolarHBondContact O-N 3.39Å; N353-E357 WeakPolarHBondContact O-CB 3.48Å; N353-E357 PolarHBondContact O-N 2.94Å |
| 354 | K | 40.2 | Very low | 33.7 | Very low | 137 Ų | 137 | 121.2 Ų | 121.2 | 60% | 0.596 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -76.1 | -33.3 | 176.9 | -154.5 | 154.4 | -172.5 | 163.6 | 0 | 113.2 | S350 K351 V352 V356 E357 D358 | S350-K354 PolarHBondContact O-N 3.4Å; K351-K354 PolarHBondContact O-N 3.25Å; V352-K354 VanDerWaalsContact C-N 3.29Å; V352-K354 PolarHBondContact O-N 2.95Å; K354-V356 VanDerWaalsContact C-N 3.34Å; K354-E357 PolarHBondContact O-N 3.49Å; K354-D358 WeakPolarHBondContact O-CB 3.38Å; K354-D358 VanDerWaalsContact O-CG 3.24Å; K354-D358 PolarHBondContact O-N 2.95Å |
| 355 | I | 39.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 54% | 0.544 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.3 | -38.1 | 171.6 | -66.7 | 166.9 | 0 | 0 | 0 | 110.5 | K351 V352 I359 | K351-I355 WeakPolarHBondContact O-CG1 3.49Å; K351-I355 PolarHBondContact O-N 3.48Å; V352-I355 PolarHBondContact O-N 3.45Å; I355-I359 HydrophobicContact CG2-CD1 4.01Å; I355-I359 WeakPolarHBondContact O-CD1 3.48Å; I355-I359 VanDerWaalsContact O-CG1 3.26Å; I355-I359 WeakPolarHBondContact O-CG1 3.36Å; I355-I359 PolarHBondContact O-N 3.34Å; I355-I359 VanDerWaalsContact O-N 3.12Å |
| 356 | V | 38.3 | Very low | 34.8 | Very low | 73 Ų | 73 | 121.8 Ų | 121.8 | 44% | 0.442 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.6 | -40.7 | 175.3 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | V352 N353 K354 I359 L360 | V352-V356 WeakPolarHBondContact O-CG2 3.42Å; V352-V356 PolarHBondContact O-N 2.92Å; N353-V356 PolarHBondContact O-N 3.39Å; K354-V356 VanDerWaalsContact C-N 3.34Å; V356-I359 PolarHBondContact O-N 3.33Å; V356-L360 HydrophobicContact CG1-CD1 4.11Å; V356-L360 WeakPolarHBondContact O-CB 3.35Å; V356-L360 PolarHBondContact O-N 3.48Å |
| 357 | E | 39.4 | Very low | 35.1 | Very low | 134 Ų | 134 | 119.1 Ų | 119.1 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.9 | -41 | 174 | -104.2 | -172.2 | 155.3 | 0 | 0 | 112.6 | N353 K354 I359 L360 Y361 | N353-E357 WeakPolarHBondContact O-CB 3.48Å; N353-E357 PolarHBondContact O-N 2.94Å; K354-E357 PolarHBondContact O-N 3.49Å; E357-I359 VanDerWaalsContact C-N 3.33Å; E357-I359 PolarHBondContact O-N 2.99Å; E357-L360 PolarHBondContact O-N 3.25Å; E357-Y361 VanDerWaalsContact O-CB 3.29Å; E357-Y361 WeakPolarHBondContact O-CB 3.4Å; E357-Y361 PolarHBondContact O-N 2.97Å |
| 358 | D | 37.5 | Very low | 35 | Very low | 103 Ų | 103 | 116.9 Ų | 116.9 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.4 | -33.8 | -179.7 | -73.1 | -20.8 | 0 | 0 | 0 | 111.7 | K354 E362 | K354-D358 WeakPolarHBondContact O-CB 3.38Å; K354-D358 VanDerWaalsContact O-CG 3.24Å; K354-D358 PolarHBondContact O-N 2.95Å; D358-E362 PolarHBondContact O-N 3.17Å; D358-E362 VanDerWaalsContact O-N 3.08Å |
| 359 | I | 36.9 | Very low | 35 | Very low | 100 Ų | 100 | 118.5 Ų | 118.5 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.6 | -41.8 | 172.6 | -67.6 | 168.3 | 0 | 0 | 0 | 110.9 | I355 V356 E357 Y361 I363 | I355-I359 HydrophobicContact CG2-CD1 4.01Å; I355-I359 WeakPolarHBondContact O-CD1 3.48Å; I355-I359 VanDerWaalsContact O-CG1 3.26Å; I355-I359 WeakPolarHBondContact O-CG1 3.36Å; I355-I359 PolarHBondContact O-N 3.34Å; I355-I359 VanDerWaalsContact O-N 3.12Å; V356-I359 PolarHBondContact O-N 3.33Å; E357-I359 VanDerWaalsContact C-N 3.33Å; E357-I359 PolarHBondContact O-N 2.99Å; I359-Y361 VanDerWaalsContact C-N 3.32Å; I359-Y361 PolarHBondContact O-N 2.97Å; I359-I363 HydrophobicContact CG2-CD1 4.01Å; I359-I363 VanDerWaalsContact O-CG1 3.29Å; I359-I363 WeakPolarHBondContact O-CG1 3.33Å; I359-I363 PolarHBondContact O-N 3.38Å |
| 360 | L | 36 | Very low | 34.9 | Very low | 95 Ų | 95 | 117.9 Ų | 117.9 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.1 | -35.3 | 175.4 | -107.7 | 136.8 | 0 | 0 | 0 | 112.1 | V356 E357 I363 I364 | V356-L360 HydrophobicContact CG1-CD1 4.11Å; V356-L360 WeakPolarHBondContact O-CB 3.35Å; V356-L360 PolarHBondContact O-N 3.48Å; E357-L360 PolarHBondContact O-N 3.25Å; L360-I363 PolarHBondContact O-N 3.38Å; L360-I364 HydrophobicContact CD2-CD1 4.13Å; L360-I364 WeakPolarHBondContact O-CB 3.34Å; L360-I364 WeakPolarHBondContact O-CD1 3.19Å; L360-I364 WeakPolarHBondContact O-CG1 3.17Å; L360-I364 PolarHBondContact O-N 3.37Å |
| 361 | Y | 35.5 | Very low | 34.4 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 62% | 0.616 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.1 | -36 | 179.6 | -162.4 | -97 | 0 | 0 | 0 | 112.4 | E357 I359 I364 K365 | E357-Y361 VanDerWaalsContact O-CB 3.29Å; E357-Y361 WeakPolarHBondContact O-CB 3.4Å; E357-Y361 PolarHBondContact O-N 2.97Å; I359-Y361 VanDerWaalsContact C-N 3.32Å; I359-Y361 PolarHBondContact O-N 2.97Å; Y361-I364 PolarHBondContact O-N 2.96Å; Y361-K365 HydrophobicContact CE1-CD 4.3Å; Y361-K365 VanDerWaalsContact O-CB 3.27Å; Y361-K365 WeakPolarHBondContact O-CB 3.34Å; Y361-K365 PolarHBondContact O-N 3.14Å |
| 362 | E | 37.6 | Very low | 34 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 48% | 0.481 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.3 | -35.5 | 172.1 | -105.7 | -80.3 | 140.1 | 0 | 0 | 112.3 | D358 K366 | D358-E362 PolarHBondContact O-N 3.17Å; D358-E362 VanDerWaalsContact O-N 3.08Å; E362-K366 PolarHBondContact O-N 3.5Å; E362-K366 IonicContact OE2-NZ 3.68Å; E362-K366 PolarHBondContact OE2-NZ 3.23Å |
| 363 | I | 33.9 | Very low | 33.5 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 56% | 0.564 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.1 | -40.5 | 176 | -67.3 | 168.8 | 0 | 0 | 0 | 110.7 | I359 L360 | I359-I363 HydrophobicContact CG2-CD1 4.01Å; I359-I363 VanDerWaalsContact O-CG1 3.29Å; I359-I363 WeakPolarHBondContact O-CG1 3.33Å; I359-I363 PolarHBondContact O-N 3.38Å; L360-I363 PolarHBondContact O-N 3.38Å |
| 364 | I | 36.4 | Very low | 33 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 51% | 0.508 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70.3 | -37 | 177.8 | -68.8 | 167 | 0 | 0 | 0 | 111.1 | L360 Y361 K366 V367 | L360-I364 HydrophobicContact CD2-CD1 4.13Å; L360-I364 WeakPolarHBondContact O-CB 3.34Å; L360-I364 WeakPolarHBondContact O-CD1 3.19Å; L360-I364 WeakPolarHBondContact O-CG1 3.17Å; L360-I364 PolarHBondContact O-N 3.37Å; Y361-I364 PolarHBondContact O-N 2.96Å; I364-K366 VanDerWaalsContact C-N 3.29Å; I364-K366 PolarHBondContact O-N 3.1Å; I364-V367 PolarHBondContact O-N 3Å |
| 365 | K | 31.5 | Very low | 32.1 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.8 | -20.4 | -178.5 | -159 | 175.8 | -176.4 | -177.6 | 0 | 113.8 | Y361 | Y361-K365 HydrophobicContact CE1-CD 4.3Å; Y361-K365 VanDerWaalsContact O-CB 3.27Å; Y361-K365 WeakPolarHBondContact O-CB 3.34Å; Y361-K365 PolarHBondContact O-N 3.14Å |
| 366 | K | 35.9 | Very low | 31.4 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -3.2 | 175.8 | -84.2 | 178.4 | 175.4 | 133.2 | 0 | 114.7 | E362 I364 | E362-K366 PolarHBondContact O-N 3.5Å; E362-K366 IonicContact OE2-NZ 3.68Å; E362-K366 PolarHBondContact OE2-NZ 3.23Å; I364-K366 VanDerWaalsContact C-N 3.29Å; I364-K366 PolarHBondContact O-N 3.1Å |
| 367 | V | 31.2 | Very low | 30.7 | Very low | 121 Ų | 121 | 128 Ų | 128 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -112.2 | 2.2 | -177.3 | -177.7 | 0 | 0 | 0 | 0 | 113.5 | I364 | I364-V367 PolarHBondContact O-N 3Š|
| 368 | S | 27.2 | Very low | 29.8 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 66% | 0.664 | 69% | 0.685 | S | S | * | * | trans | -113.8 | 94.5 | 174.1 | -65 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 369 | V | 30.1 | Very low | 29.1 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 87% | 0.873 | 70% | 0.699 | S | S | * | * | trans | -120.1 | 126 | 159.8 | 174.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 370 | D | 27.4 | Very low | 28.3 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 81% | 0.807 | 71% | 0.709 | S | S | * | * | trans | -58.7 | 142.4 | -163.9 | -64.4 | -61.9 | 0 | 0 | 0 | 115.8 | ||||
| 371 | D | 23.7 | Very low | 27.7 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | trans | -55.9 | 135.7 | 162.9 | -63.4 | -65.8 | 0 | 0 | 0 | 112.4 | ||||
| 372 | E | 25.2 | Very low | 27 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | -174.9 | 118.7 | 128.6 | -102 | -176.9 | -169.7 | 0 | 0 | 111.3 | |||||
| 373 | D | 24.6 | Very low | 26.2 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | 54.6 | 109 | 138 | -60.9 | -18.4 | 0 | 0 | 0 | 121.4 | ||||
| 374 | D | 24.1 | Very low | 25.7 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | 173.5 | 124.5 | 88 | -110.7 | -34.1 | 0 | 0 | 0 | 113.9 | |||||
| 375 | S | 22.7 | Very low | 25 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | 26.8 | 102.7 | 149.8 | 58.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 376 | N | 24.3 | Very low | 24.5 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | 179.9 | 130.8 | 110.8 | -93.7 | -44.4 | 0 | 0 | 0 | 111.9 | L378 | N376-L378 PolarHBondContact O-N 3.22Š| |||
| 377 | S | 23.8 | Very low | 23.9 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -57 | 110.5 | -167.7 | 53.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 378 | L | 20.8 | Very low | 23.4 | Very low | 165 Ų | 165 | 136 Ų | 136 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -131.8 | 70.3 | 160.3 | -78.5 | 172.1 | 0 | 0 | 0 | 110.1 | N376 S380 | N376-L378 PolarHBondContact O-N 3.22Å; L378-S380 VanDerWaalsContact C-N 3.26Å; L378-S380 PolarHBondContact O-N 2.95Å | ||
| 379 | S | 21.4 | Very low | 23.2 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -72.1 | 81.4 | 159.5 | 36.3 | 0 | 0 | 0 | 0 | 109.3 | S381 | S379-S381 PolarHBondContact O-N 2.63Š| ||
| 380 | S | 22.1 | Very low | 22.8 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -85.4 | 83.6 | 167.3 | 50.1 | 0 | 0 | 0 | 0 | 109.2 | L378 L382 | L378-S380 VanDerWaalsContact C-N 3.26Å; L378-S380 PolarHBondContact O-N 2.95Å; S380-L382 PolarHBondContact O-N 3.03Å | ||
| 381 | S | 23.1 | Very low | 22.6 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -58.3 | 118.3 | 160.4 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | S379 C383 | S379-S381 PolarHBondContact O-N 2.63Å; S381-C383 PolarHBondContact O-N 2.85Å | ||
| 382 | L | 21.3 | Very low | 22.5 | Very low | 173 Ų | 173 | 136 Ų | 136 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -64.4 | 80.5 | 170.4 | -94.5 | 139.7 | 0 | 0 | 0 | 108.9 | S380 I384 | S380-L382 PolarHBondContact O-N 3.03Å; L382-I384 PolarHBondContact O-N 3.27Å | ||
| 383 | C | 20.1 | Very low | 22.5 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 72% | 0.716 | 79% | 0.79 | S | S | * | * | trans | -68.2 | 107.7 | 160.6 | -72.7 | 0 | 0 | 0 | 0 | 107.8 | S381 | S381-C383 PolarHBondContact O-N 2.85Š| ||
| 384 | I | 22.2 | Very low | 22.3 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 125.3 | 156.6 | -61 | 167.5 | 0 | 0 | 0 | 106.1 | L382 N386 | L382-I384 PolarHBondContact O-N 3.27Å; I384-N386 PolarHBondContact O-N 3.47Å; I384-N386 VanDerWaalsContact O-N 3.14Å |
| 385 | P | 21.8 | Very low | 22.1 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 121.6 | -171.1 | -14.2 | 26.7 | 0 | 0 | 0 | 109.6 | S387 | P385-S387 PolarHBondContact O-N 2.99Å; P385-S387 VanDerWaalsContact O-N 3.12Å |
| 386 | N | 21.5 | Very low | 22.2 | Very low | 158 Ų | 158 | 138 Ų | 138 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 118.8 | 172.1 | -79.3 | -27.9 | 0 | 0 | 0 | 109.8 | I384 E388 | I384-N386 PolarHBondContact O-N 3.47Å; I384-N386 VanDerWaalsContact O-N 3.14Å; N386-E388 PolarHBondContact O-N 3.2Å; N386-E388 VanDerWaalsContact O-N 3.1Å |
| 387 | S | 23.2 | Very low | 22.1 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -51 | 110 | 169 | 49.6 | 0 | 0 | 0 | 0 | 110 | P385 S389 | P385-S387 PolarHBondContact O-N 2.99Å; P385-S387 VanDerWaalsContact O-N 3.12Å; S387-S389 PolarHBondContact O-N 3.16Å; S387-S389 VanDerWaalsContact O-N 3.17Å | ||
| 388 | E | 21.6 | Very low | 22.1 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -56.2 | 118.4 | 165.7 | -77.2 | -177.6 | 150.2 | 0 | 0 | 108.8 | N386 L390 | N386-E388 PolarHBondContact O-N 3.2Å; N386-E388 VanDerWaalsContact O-N 3.1Å; E388-L390 PolarHBondContact O-N 2.74Å | ||
| 389 | S | 22.1 | Very low | 22.1 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -60.3 | 112.2 | 174.3 | 40.1 | 0 | 0 | 0 | 0 | 110.2 | S387 | S387-S389 PolarHBondContact O-N 3.16Å; S387-S389 VanDerWaalsContact O-N 3.17Å | ||
| 390 | L | 22.1 | Very low | 22.1 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -60.5 | 127.5 | 168.3 | -83.6 | 155.9 | 0 | 0 | 0 | 109.1 | E388 | E388-L390 PolarHBondContact O-N 2.74Š| ||
| 391 | P | 23.4 | Very low | 22.1 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -74.7 | 135.8 | -166.2 | 27.8 | -33.1 | 0 | 0 | 0 | 113 | I393 | P391-I393 PolarHBondContact O-N 3.43Å; P391-I393 VanDerWaalsContact O-N 3.15Å | ||
| 392 | D | 21.9 | Very low | 22.1 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -51.9 | 108.2 | 171.9 | -81.3 | -44.3 | 0 | 0 | 0 | 112.3 | C394 | D392-C394 PolarHBondContact O-N 3.08Š| ||
| 393 | I | 23.8 | Very low | 22.1 | Very low | 162 Ų | 162 | 142 Ų | 142 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -89.3 | 99.4 | 168.6 | -63.4 | 176.5 | 0 | 0 | 0 | 108.4 | P391 K395 | P391-I393 PolarHBondContact O-N 3.43Å; P391-I393 VanDerWaalsContact O-N 3.15Å; I393-K395 PolarHBondContact O-N 3.3Å | ||
| 394 | C | 20.5 | Very low | 22.1 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 75% | 0.75 | 81% | 0.808 | S | S | * | * | trans | -45.5 | 120.2 | 172.4 | -76.3 | 0 | 0 | 0 | 0 | 113.2 | D392 S396 | D392-C394 PolarHBondContact O-N 3.08Å; C394-S396 PolarHBondContact O-N 3.31Å; C394-S396 VanDerWaalsContact O-N 3.09Å | ||
| 395 | K | 21.6 | Very low | 22.1 | Very low | 214 Ų | 214 | 140.5 Ų | 140.5 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -64.6 | 100.1 | 165.4 | -71.4 | 172.5 | 178.9 | 167.7 | 0 | 109.4 | I393 | I393-K395 PolarHBondContact O-N 3.3Š| ||
| 396 | S | 22.9 | Very low | 22.1 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | -99 | 123.6 | 164.5 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | C394 | C394-S396 PolarHBondContact O-N 3.31Å; C394-S396 VanDerWaalsContact O-N 3.09Å | ||
| 397 | S | 22.6 | Very low | 22.1 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -53.3 | 130.2 | 179.6 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 398 | I | 24.1 | Very low | 22.1 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -118.2 | 110.4 | 166.8 | -64.4 | 178.1 | 0 | 0 | 0 | 108.3 | ||||
| 399 | D | 21.3 | Very low | 22.1 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -61.4 | 135.1 | 175.3 | -89.1 | -42.2 | 0 | 0 | 0 | 112.5 | ||||
| 400 | S | 22 | Very low | 22.2 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -64.6 | 119.6 | 168.3 | 50.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 401 | S | 21.7 | Very low | 22.2 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -158.5 | 128.7 | 145.9 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 402 | R | 22.9 | Very low | 22.3 | Very low | 233 Ų | 233 | 132.4 Ų | 132.4 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | 71.1 | 93.7 | 147.6 | -93.3 | 175.3 | 164 | 164.5 | -4.8 | 121.9 | ||||
| 403 | S | 20.3 | Very low | 22.3 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | 27.7 | 109.1 | 118.9 | 6.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 404 | S | 21.4 | Very low | 22.3 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | -177.6 | 113.3 | 119.8 | 37.9 | 0 | 0 | 0 | 0 | 111 | I406 | S404-I406 PolarHBondContact O-N 2.91Š| |||
| 405 | S | 22.4 | Very low | 22.4 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 88% | 0.881 | 76% | 0.759 | S | S | * | * | trans | 28.5 | 83.5 | 154.3 | 49.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 406 | I | 21 | Very low | 22.5 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | -124.4 | 123.5 | 166.8 | -68.1 | 172.3 | 0 | 0 | 0 | 109.2 | S404 I408 | S404-I406 PolarHBondContact O-N 2.91Å; I406-I408 PolarHBondContact O-N 3.42Å | ||
| 407 | S | 22 | Very low | 22.4 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -45.3 | 121.3 | 168.1 | 46.8 | 0 | 0 | 0 | 0 | 111.5 | S409 | S407-S409 VanDerWaalsContact C-N 3.28Å; S407-S409 PolarHBondContact O-N 2.95Å | ||
| 408 | I | 21.5 | Very low | 22.3 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 82% | 0.821 | 76% | 0.761 | S | S | * | * | trans | -69.2 | 84.9 | 178.1 | -57.7 | 169.4 | 0 | 0 | 0 | 108.4 | I406 V410 | I406-I408 PolarHBondContact O-N 3.42Å; I408-V410 HydrophobicContact CG2-CG2 4.31Å; I408-V410 PolarHBondContact O-N 3.44Å | ||
| 409 | S | 22.7 | Very low | 22.2 | Very low | 83 Ų | 83 | 135.8 Ų | 135.8 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | trans | -70.8 | 113.3 | 156.7 | 54 | 0 | 0 | 0 | 0 | 106.8 | S407 N411 | S407-S409 VanDerWaalsContact C-N 3.28Å; S407-S409 PolarHBondContact O-N 2.95Å; S409-N411 PolarHBondContact O-N 2.97Å | ||
| 410 | V | 24.5 | Very low | 22.3 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | trans | -68.3 | 76 | 171.3 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | I408 T412 | I408-V410 HydrophobicContact CG2-CG2 4.31Å; I408-V410 PolarHBondContact O-N 3.44Å; V410-T412 HydrophobicContact CG1-CG2 4.03Å; V410-T412 PolarHBondContact O-N 2.85Å; V410-T412 VanDerWaalsContact O-N 3.13Å | ||
| 411 | N | 21.6 | Very low | 22.3 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -79.4 | 77.9 | 163.4 | -87 | -2.8 | 0 | 0 | 0 | 107.4 | S409 S413 | S409-N411 PolarHBondContact O-N 2.97Å; N411-S413 PolarHBondContact O-N 2.86Å | ||
| 412 | T | 26.2 | Very low | 22.3 | Very low | 72 Ų | 72 | 131.7 Ų | 131.7 | 44% | 0.442 | 75% | 0.753 | S | S | . | * | trans | -75 | 98.3 | 153 | 46.3 | 0 | 0 | 0 | 0 | 106.3 | V410 L414 | V410-T412 HydrophobicContact CG1-CG2 4.03Å; V410-T412 PolarHBondContact O-N 2.85Å; V410-T412 VanDerWaalsContact O-N 3.13Å; T412-L414 VanDerWaalsContact C-N 3.31Å; T412-L414 PolarHBondContact O-N 3.35Å | ||
| 413 | S | 22 | Very low | 22.3 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -58.6 | 94.2 | 167.6 | -14.1 | 0 | 0 | 0 | 0 | 107.9 | N411 | N411-S413 PolarHBondContact O-N 2.86Š| ||
| 414 | L | 23.8 | Very low | 22.4 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | trans | -116.5 | 28.1 | 176.8 | -120.6 | 160.6 | 0 | 0 | 0 | 110.3 | T412 | T412-L414 VanDerWaalsContact C-N 3.31Å; T412-L414 PolarHBondContact O-N 3.35Å | ||
| 415 | N | 22.5 | Very low | 22.5 | Very low | 166 Ų | 166 | 127 Ų | 127 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | trans | -113.2 | 72.6 | 169.9 | -73.8 | 7.7 | 0 | 0 | 0 | 108.1 | ||||
| 416 | Q | 22.1 | Very low | 22.4 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | -113.4 | 114.2 | 151.6 | -128.2 | 175.7 | 6.9 | 0 | 0 | 104.3 | W418 | Q416-W418 PolarHBondContact O-N 2.89Š| ||
| 417 | E | 22.3 | Very low | 22.6 | Very low | 201 Ų | 201 | 127 Ų | 127 | 94% | 0.939 | 74% | 0.743 | S | S | * | * | trans | -54.1 | 106.3 | 179.3 | -71 | 168.8 | 151.3 | 0 | 0 | 108.8 | ||||
| 418 | W | 20.7 | Very low | 22.6 | Very low | 222 Ų | 222 | 128.7 Ų | 128.7 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | trans | -94.6 | 107.2 | 170.1 | -76.9 | 27.5 | 0 | 0 | 0 | 106.4 | Q416 S420 | Q416-W418 PolarHBondContact O-N 2.89Å; W418-S420 PolarHBondContact O-N 3.29Å | ||
| 419 | S | 22 | Very low | 22.6 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | -48.2 | 122.8 | 171.2 | 45.9 | 0 | 0 | 0 | 0 | 109.8 | G421 | S419-G421 PolarHBondContact O-N 3.13Š| ||
| 420 | S | 22.8 | Very low | 22.6 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | -55.5 | 95.3 | -179.8 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | W418 S422 | W418-S420 PolarHBondContact O-N 3.29Å; S420-S422 PolarHBondContact O-N 3.18Å | ||
| 421 | G | 21.9 | Very low | 22.5 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -72.7 | 105.3 | 157 | 0 | 0 | 0 | 0 | 0 | 108.7 | S419 V423 | S419-G421 PolarHBondContact O-N 3.13Å; G421-V423 PolarHBondContact O-N 3.09Å; G421-V423 VanDerWaalsContact O-N 3.13Å | ||
| 422 | S | 22.2 | Very low | 22.6 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -64.7 | 103.6 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | S420 | S420-S422 PolarHBondContact O-N 3.18Š| ||
| 423 | V | 22.1 | Very low | 22.4 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -91.4 | 93.9 | 162.1 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | G421 | G421-V423 PolarHBondContact O-N 3.09Å; G421-V423 VanDerWaalsContact O-N 3.13Å | ||
| 424 | T | 22.1 | Very low | 22.4 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | -84.9 | 129.1 | 168.1 | 34.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 425 | P | 23.5 | Very low | 22.5 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 63% | 0.63 | 80% | 0.796 | S | S | * | * | trans | -75.6 | 126.3 | 177.8 | 10.1 | 2.4 | 0 | 0 | 0 | 110.4 | I427 | P425-I427 PolarHBondContact O-N 3.07Å; P425-I427 VanDerWaalsContact O-N 3.09Å | ||
| 426 | S | 21.8 | Very low | 22.5 | Very low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -67.8 | 96.5 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 427 | I | 23.8 | Very low | 22.6 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | trans | -94.9 | 115.9 | 160.2 | -64.5 | 176.6 | 0 | 0 | 0 | 107.5 | P425 S429 | P425-I427 PolarHBondContact O-N 3.07Å; P425-I427 VanDerWaalsContact O-N 3.09Å; I427-S429 PolarHBondContact O-N 3.43Å | ||
| 428 | V | 22.6 | Very low | 22.6 | Very low | 136 Ų | 136 | 125 Ų | 125 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -59.7 | 102.3 | -179 | -179.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 429 | S | 21.9 | Very low | 22.8 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -106.2 | 110.7 | 157.1 | -75.3 | 0 | 0 | 0 | 0 | 107.7 | I427 T431 | I427-S429 PolarHBondContact O-N 3.43Å; S429-T431 PolarHBondContact O-N 3.17Å | ||
| 430 | A | 22.6 | Very low | 22.9 | Very low | 82 Ų | 82 | 126.2 Ų | 126.2 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -62.4 | 129.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 431 | T | 22.9 | Very low | 22.9 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | trans | 60 | 91.6 | 154.2 | 58.1 | 0 | 0 | 0 | 0 | 118.2 | S429 | S429-T431 PolarHBondContact O-N 3.17Š| ||
| 432 | A | 22.5 | Very low | 23 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -142.7 | 111.3 | 133.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 433 | T | 23 | Very low | 23.1 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -49.8 | 130.2 | -176.2 | 34.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 434 | A | 21.9 | Very low | 23.3 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | -64 | 135.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 435 | T | 25.2 | Very low | 23.5 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | -142.9 | 94 | 146.8 | 33.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 436 | N | 23.1 | Very low | 24.1 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 21.2 | 124.5 | 139.4 | -69.8 | -24.2 | 0 | 0 | 0 | 119.9 | ||||
| 437 | N | 23.6 | Very low | 24.2 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | 45.8 | 121.5 | 127 | -60.2 | -25.2 | 0 | 0 | 0 | 117.7 | |||||
| 438 | I | 23.6 | Very low | 24.3 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | 178.6 | 126.8 | 113.3 | -87 | 151.5 | 0 | 0 | 0 | 110 | |||||
| 439 | H | 24.3 | Very low | 24.4 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | 38.7 | 111.5 | 152.7 | -89.1 | -85.5 | 0 | 0 | 0 | 121.9 | S441 | H439-S441 PolarHBondContact O-N 2.99Š| ||
| 440 | E | 23.4 | Very low | 24.6 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -48.9 | 112.1 | 148.7 | -164.8 | 175 | -152.6 | 0 | 0 | 112.9 | ||||
| 441 | S | 22.7 | Very low | 24.9 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -177.4 | 126.2 | 137.9 | 35.9 | 0 | 0 | 0 | 0 | 111.4 | H439 | H439-S441 PolarHBondContact O-N 2.99Š| ||
| 442 | D | 25 | Very low | 25.2 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | 58.6 | 103.5 | 165.9 | -67.4 | -27.6 | 0 | 0 | 0 | 119.2 | ||||
| 443 | L | 24.8 | Very low | 25.8 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | -169.3 | 114.8 | 111.6 | -93.7 | 158.1 | 0 | 0 | 0 | 110.3 | |||||
| 444 | K | 25.4 | Very low | 26.7 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -59.8 | 132 | 160.4 | -71.6 | 170.5 | 173.8 | 173 | 0 | 109 | ||||
| 445 | D | 25.9 | Very low | 27.6 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -146.6 | 122.2 | 133.3 | -119.9 | -17.5 | 0 | 0 | 0 | 109.8 | ||||
| 446 | P | 35.3 | Very low | 28.5 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -86.5 | 123.4 | 179.8 | 33.2 | -27.1 | 0 | 0 | 0 | 109.1 | ||||
| 447 | N | 25.9 | Very low | 29.7 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 169.4 | 79.9 | 144.2 | -84.8 | -23.4 | 0 | 0 | 0 | 110.7 | ||||
| 448 | S | 24.6 | Very low | 31.1 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -153.7 | 67.2 | 150.1 | 60.9 | 0 | 0 | 0 | 0 | 110 | L450 | S448-L450 PolarHBondContact O-N 2.87Å; S448-L450 VanDerWaalsContact O-N 3.13Å | ||
| 449 | T | 25.3 | Very low | 32.5 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 83% | 0.828 | 73% | 0.729 | S | S | * | * | trans | -72.1 | 95 | 163.5 | -41.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 450 | L | 25.5 | Very low | 34.1 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 81% | 0.806 | 71% | 0.714 | S | S | * | * | trans | -137.6 | 101.5 | 162.5 | -73.2 | 178.2 | 0 | 0 | 0 | 109.4 | S448 | S448-L450 PolarHBondContact O-N 2.87Å; S448-L450 VanDerWaalsContact O-N 3.13Å | ||
| 451 | V | 29.4 | Very low | 35.6 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 74% | 0.739 | 69% | 0.686 | S | S | * | * | trans | 40.8 | 89.8 | 148 | -163.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 452 | M | 29.3 | Very low | 37.9 | Very low | 186 Ų | 186 | 118.7 Ų | 118.7 | 92% | 0.916 | 66% | 0.657 | S | S | * | * | trans | -77.6 | 118.3 | 161.2 | -84.1 | -88.6 | 177.8 | 0 | 0 | 108.6 | ||||
| 453 | D | 35.4 | Very low | 40.5 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 68% | 0.684 | 64% | 0.641 | S | S | * | * | trans | -63.4 | 132.2 | -178.9 | -73.5 | -43.3 | 0 | 0 | 0 | 112.8 | N455 | D453-N455 PolarHBondContact O-N 3.08Š| ||
| 454 | N | 41.5 | Very low | 43.1 | Very low | 133 Ų | 133 | 110.1 Ų | 110.1 | 71% | 0.711 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 0.4 | -179 | -77.1 | -17.9 | 0 | 0 | 0 | 115.6 | ||
| 455 | N | 41.1 | Very low | 46 | Very low | 90 Ų | 90 | 101.2 Ų | 101.2 | 48% | 0.481 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -17.1 | -172.2 | -71.6 | -6.4 | 0 | 0 | 0 | 114.5 | D453 | D453-N455 PolarHBondContact O-N 3.08Š|
| 456 | C | 43.9 | Very low | 48.9 | Very low | 94 Ų | 94 | 95.2 Ų | 95.2 | 64% | 0.635 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.6 | -27.6 | -179.4 | -168.2 | 0 | 0 | 0 | 0 | 113.5 | V458 T460 | C456-V458 VanDerWaalsContact C-N 3.33Å; C456-V458 PolarHBondContact O-N 3Å; C456-T460 PolarHBondContact O-N 2.98Å; C456-T460 PolarHBondContact O-OG1 3.28Å |
| 457 | E | 47.8 | Very low | 51.3 | Low | 144 Ų | 144 | 94.5 Ų | 94.5 | 67% | 0.673 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.5 | -30.1 | -179.8 | -69.1 | -174.5 | 161.6 | 0 | 0 | 112.7 | T460 S461 | E457-T460 PolarHBondContact O-OG1 3.07Å; E457-S461 WeakPolarHBondContact O-CB 3.39Å; E457-S461 PolarHBondContact O-N 3.13Å; E457-S461 VanDerWaalsContact O-N 3.12Å |
| 458 | V | 52.9 | Low | 54.3 | Low | 46 Ų | 46 | 87.2 Ų | 87.2 | 28% | 0.279 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.9 | -43.3 | -177.4 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | E266 A267 C456 S461 A462 | E266-V458 HydrophobicContact CB-CG1 4.44Å; A267-V458 HydrophobicContact CB-CG1 4.33Å; C456-V458 VanDerWaalsContact C-N 3.33Å; C456-V458 PolarHBondContact O-N 3Å; V458-S461 PolarHBondContact O-N 2.98Å; V458-A462 PolarHBondContact O-N 2.64Å |
| 459 | V | 52.3 | Low | 57.5 | Low | 63 Ų | 63 | 81.8 Ų | 81.8 | 38% | 0.382 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | -179.3 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | M271 A462 H463 | M271-V459 HydrophobicContact CE-CG1 4.06Å; M271-V459 HydrophobicContact CE-CG2 3.95Å; V459-A462 PolarHBondContact O-N 3.28Å; V459-H463 PolarHBondContact O-N 3.36Å |
| 460 | T | 58.9 | Low | 60.7 | Low | 81 Ų | 81 | 77.5 Ų | 77.5 | 50% | 0.497 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 176.7 | 52.4 | 0 | 0 | 0 | 0 | 111.7 | C456 E457 A462 H463 V464 | C456-T460 PolarHBondContact O-N 2.98Å; C456-T460 PolarHBondContact O-OG1 3.28Å; E457-T460 PolarHBondContact O-OG1 3.07Å; T460-A462 PolarHBondContact O-N 3.06Å; T460-H463 PolarHBondContact O-N 3.19Å; T460-V464 WeakPolarHBondContact O-CG2 3.17Å; T460-V464 PolarHBondContact O-N 3.31Å |
| 461 | S | 55.4 | Low | 63.8 | Low | 42 Ų | 42 | 71.4 Ų | 71.4 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 113.6 | N263 E457 V458 H463 V464 T465 | N263-S461 PolarHBondContact ND2-OG 3.04Å; N263-S461 VanDerWaalsContact ND2-OG 3.15Å; E457-S461 WeakPolarHBondContact O-CB 3.39Å; E457-S461 PolarHBondContact O-N 3.13Å; E457-S461 VanDerWaalsContact O-N 3.12Å; V458-S461 PolarHBondContact O-N 2.98Å; S461-H463 PolarHBondContact O-N 3.33Å; S461-V464 PolarHBondContact O-N 3.14Å; S461-T465 PolarHBondContact O-N 2.97Å; S461-T465 PolarHBondContact O-OG1 2.83Å |
| 462 | A | 70.4 | Confident | 66.7 | Low | 16 Ų | 16 | 65.6 Ų | 65.6 | 13% | 0.132 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N263 A267 V458 V459 T460 V464 T465 Q466 | N263-A462 HydrophobicContact CB-CB 4.41Å; A267-A462 HydrophobicContact CB-CB 3.93Å; V458-A462 PolarHBondContact O-N 2.64Å; V459-A462 PolarHBondContact O-N 3.28Å; T460-A462 PolarHBondContact O-N 3.06Å; A462-V464 PolarHBondContact O-N 3.37Å; A462-T465 PolarHBondContact O-OG1 2.96Å; A462-T465 VanDerWaalsContact O-OG1 3.04Å; A462-Q466 WeakPolarHBondContact O-CB 3.47Å; A462-Q466 PolarHBondContact O-N 2.64Å; A462-Q466 VanDerWaalsContact O-N 3.12Å |
| 463 | H | 78.5 | Confident | 69.7 | Low | 105 Ų | 105 | 56.8 Ų | 56.8 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 179.3 | -173.8 | -88.9 | 0 | 0 | 0 | 112.7 | V459 T460 S461 K467 | V459-H463 PolarHBondContact O-N 3.36Å; T460-H463 PolarHBondContact O-N 3.19Å; S461-H463 PolarHBondContact O-N 3.33Å; H463-K467 WeakPolarHBondContact O-CB 3.28Å; H463-K467 PolarHBondContact O-N 2.93Å |
| 464 | V | 81.2 | Confident | 72.4 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 178.8 | 176 | 0 | 0 | 0 | 0 | 111.2 | H218 T460 S461 A462 Q466 K467 D468 | H218-V464 HydrophobicContact CB-CG1 4Å; H218-V464 VanDerWaalsContact CG-CG1 3.46Å; H218-V464 VanDerWaalsContact ND1-CG1 3.31Å; H218-V464 WeakPolarHBondContact ND1-CG1 3.42Å; T460-V464 WeakPolarHBondContact O-CG2 3.17Å; T460-V464 PolarHBondContact O-N 3.31Å; S461-V464 PolarHBondContact O-N 3.14Å; A462-V464 PolarHBondContact O-N 3.37Å; V464-Q466 VanDerWaalsContact C-N 3.34Å; V464-Q466 PolarHBondContact O-N 2.85Å; V464-K467 WeakPolarHBondContact O-CB 3.47Å; V464-K467 PolarHBondContact O-N 3.45Å; V464-D468 PolarHBondContact O-N 3.26Å |
| 465 | T | 85.4 | Confident | 74.5 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -34.3 | 179.3 | 53 | 0 | 0 | 0 | 0 | 113 | N263 S461 A462 D468 A469 | N263-T465 WeakPolarHBondContact ND2-CG2 3.33Å; S461-T465 PolarHBondContact O-N 2.97Å; S461-T465 PolarHBondContact O-OG1 2.83Å; A462-T465 PolarHBondContact O-OG1 2.96Å; A462-T465 VanDerWaalsContact O-OG1 3.04Å; T465-D468 PolarHBondContact O-N 3.26Å; T465-A469 PolarHBondContact O-N 3.35Å; T465-A469 VanDerWaalsContact O-N 3.08Å |
| 466 | Q | 85.9 | Confident | 76.9 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 16% | 0.159 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 172.1 | -168.1 | -178.3 | 6.6 | 0 | 0 | 112 | M260 A462 V464 D468 A469 F470 S521 F524 | M260-Q466 HydrophobicContact CG-CB 4.25Å; M260-Q466 HydrophobicContact SD-CB 4.47Å; M260-Q466 HydrophobicContact SD-CG 4.23Å; A462-Q466 WeakPolarHBondContact O-CB 3.47Å; A462-Q466 PolarHBondContact O-N 2.64Å; A462-Q466 VanDerWaalsContact O-N 3.12Å; V464-Q466 VanDerWaalsContact C-N 3.34Å; V464-Q466 PolarHBondContact O-N 2.85Å; Q466-D468 VanDerWaalsContact C-N 3.34Å; Q466-D468 PolarHBondContact O-N 3.11Å; Q466-A469 PolarHBondContact O-N 3.01Å; Q466-F470 WeakPolarHBondContact O-CB 3.46Å; Q466-F470 PolarHBondContact O-N 2.72Å; Q466-S521 PolarHBondContact NE2-OG 3.23Å; Q466-F524 HydrophobicContact CG-CE2 3.86Å; Q466-F524 HydrophobicContact CG-CZ 4.34Å |
| 467 | K | 86.3 | Confident | 79.1 | Confident | 84 Ų | 84 | 41.9 Ų | 41.9 | 37% | 0.365 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 175.9 | -173.5 | -179.8 | 176.6 | -170 | 0 | 111.6 | E219 H463 V464 F470 L471 | E219-K467 HydrophobicContact CG-CD 4.45Å; E219-K467 WeakPolarHBondContact OE1-CD 3.35Å; E219-K467 VanDerWaalsContact OE1-CE 3.31Å; E219-K467 WeakPolarHBondContact OE1-CE 3.33Å; E219-K467 IonicContact OE1-NZ 3.41Å; E219-K467 PolarHBondContact OE1-NZ 3.4Å; E219-K467 IonicContact OE2-NZ 2.77Å; E219-K467 PolarHBondContact OE2-NZ 3.03Å; H463-K467 WeakPolarHBondContact O-CB 3.28Å; H463-K467 PolarHBondContact O-N 2.93Å; V464-K467 WeakPolarHBondContact O-CB 3.47Å; V464-K467 PolarHBondContact O-N 3.45Å; K467-F470 PolarHBondContact O-N 3.32Å; K467-L471 HydrophobicContact CG-CD1 4.36Å; K467-L471 WeakPolarHBondContact O-CG 3.24Å; K467-L471 PolarHBondContact O-N 3.04Å |
| 468 | D | 89.6 | Confident | 81 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -48.7 | 177.1 | -69.8 | -22.9 | 0 | 0 | 0 | 112 | H218 E219 I222 V464 T465 Q466 F470 L471 V472 | H218-D468 IonicContact CE1-OD2 3.81Å; H218-D468 IonicContact CG-OD2 3.52Å; H218-D468 IonicContact ND1-OD2 2.95Å; H218-D468 PolarHBondContact ND1-OD2 3.38Å; E219-D468 WeakPolarHBondContact CA-OD1 3.4Å; E219-D468 PolarHBondContact N-OD1 3.35Å; I222-D468 HydrophobicContact CD1-CB 3.67Å; I222-D468 VanDerWaalsContact CD1-OD2 3.22Å; I222-D468 WeakPolarHBondContact CD1-OD2 3.26Å; V464-D468 PolarHBondContact O-N 3.26Å; T465-D468 PolarHBondContact O-N 3.26Å; Q466-D468 VanDerWaalsContact C-N 3.34Å; Q466-D468 PolarHBondContact O-N 3.11Å; D468-F470 VanDerWaalsContact C-N 3.33Å; D468-F470 PolarHBondContact O-N 3.4Å; D468-L471 PolarHBondContact O-N 2.97Å; D468-V472 WeakPolarHBondContact O-CG2 3.27Å; D468-V472 PolarHBondContact O-N 3.47Å; D468-V472 VanDerWaalsContact O-N 3.14Å |
| 469 | A | 91.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F257 M260 T465 Q466 V472 F473 F524 | F257-A469 HydrophobicContact CD2-CB 4.23Å; F257-A469 HydrophobicContact CE1-CB 4.28Å; F257-A469 HydrophobicContact CE2-CB 4Å; F257-A469 HydrophobicContact CZ-CB 4.03Å; M260-A469 HydrophobicContact CB-CB 4.39Å; M260-A469 HydrophobicContact CG-CB 4.46Å; M260-A469 HydrophobicContact SD-CB 3.52Å; M260-A469 VanDerWaalsContact SD-CB 3.52Å; T465-A469 PolarHBondContact O-N 3.35Å; T465-A469 VanDerWaalsContact O-N 3.08Å; Q466-A469 PolarHBondContact O-N 3.01Å; A469-V472 PolarHBondContact O-N 2.98Å; A469-F473 WeakPolarHBondContact O-CB 3.34Å; A469-F473 PolarHBondContact O-N 3.32Å; A469-F524 HydrophobicContact CB-CZ 3.99Å |
| 470 | F | 91.7 | Very high | 84.2 | Confident | 44 Ų | 44 | 39.9 Ų | 39.9 | 19% | 0.193 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 175.8 | 177.7 | -90.9 | 0 | 0 | 0 | 113 | Q466 K467 D468 V472 F473 R474 I523 F524 A527 | Q466-F470 WeakPolarHBondContact O-CB 3.46Å; Q466-F470 PolarHBondContact O-N 2.72Å; K467-F470 PolarHBondContact O-N 3.32Å; D468-F470 VanDerWaalsContact C-N 3.33Å; D468-F470 PolarHBondContact O-N 3.4Å; F470-V472 VanDerWaalsContact C-N 3.32Å; F470-V472 PolarHBondContact O-N 3.13Å; F470-F473 PolarHBondContact O-N 3.01Å; F470-R474 WeakPolarHBondContact O-CB 3.43Å; F470-R474 PolarHBondContact O-N 3.4Å; F470-I523 HydrophobicContact CD2-CG2 3.58Å; F470-I523 HydrophobicContact CE2-CG2 3.67Å; F470-I523 HydrophobicContact CG-CG2 4.42Å; F470-F524 HydrophobicContact CB-CE1 3.98Å; F470-F524 HydrophobicContact CB-CZ 4.19Å; F470-F524 HydrophobicContact CD2-CD1 4.42Å; F470-F524 HydrophobicContact CD2-CE1 4.35Å; F470-A527 HydrophobicContact CD2-CB 4.29Å; F470-A527 HydrophobicContact CE2-CB 3.75Å |
| 471 | L | 90.4 | Very high | 85.4 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | -179.6 | -74 | 175.5 | 0 | 0 | 0 | 111.8 | E219 L223 K467 D468 S475 | E219-L471 HydrophobicContact CB-CD1 4.29Å; E219-L471 HydrophobicContact CG-CD1 4.39Å; L223-L471 HydrophobicContact CD1-CB 4.3Å; L223-L471 HydrophobicContact CD2-CB 4.33Å; K467-L471 HydrophobicContact CG-CD1 4.36Å; K467-L471 WeakPolarHBondContact O-CG 3.24Å; K467-L471 PolarHBondContact O-N 3.04Å; D468-L471 PolarHBondContact O-N 2.97Å; L471-S475 WeakPolarHBondContact O-CB 3.36Å; L471-S475 PolarHBondContact O-N 3.45Å; L471-S475 VanDerWaalsContact O-N 3.08Å; L471-S475 PolarHBondContact O-OG 3.05Å |
| 472 | V | 90.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.5 | -48.1 | 175.4 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | I222 L223 V226 I253 L256 D468 A469 F470 R474 S475 L476 | I222-V472 HydrophobicContact CG2-CG2 3.77Å; L223-V472 HydrophobicContact CD2-CG2 4.14Å; V226-V472 HydrophobicContact CG2-CG2 4.28Å; I253-V472 HydrophobicContact CG1-CG1 4.11Å; L256-V472 HydrophobicContact CD1-CG2 4.06Å; D468-V472 WeakPolarHBondContact O-CG2 3.27Å; D468-V472 PolarHBondContact O-N 3.47Å; D468-V472 VanDerWaalsContact O-N 3.14Å; A469-V472 PolarHBondContact O-N 2.98Å; F470-V472 VanDerWaalsContact C-N 3.32Å; F470-V472 PolarHBondContact O-N 3.13Å; V472-R474 PolarHBondContact O-N 3.33Å; V472-S475 PolarHBondContact O-N 3.47Å; V472-L476 HydrophobicContact CG1-CD1 4.2Å; V472-L476 WeakPolarHBondContact O-CG 3.41Å; V472-L476 PolarHBondContact O-N 2.82Å |
| 473 | F | 93.3 | Very high | 86 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.5 | -51.4 | 177.2 | -179.2 | -104.5 | 0 | 0 | 0 | 112.2 | F257 A469 F470 S475 L476 C477 L507 L510 F518 A527 I528 L532 | F257-F473 HydrophobicContact CZ-CB 4.25Å; A469-F473 WeakPolarHBondContact O-CB 3.34Å; A469-F473 PolarHBondContact O-N 3.32Å; F470-F473 PolarHBondContact O-N 3.01Å; F473-S475 VanDerWaalsContact C-N 3.27Å; F473-S475 PolarHBondContact O-N 3.37Å; F473-L476 PolarHBondContact O-N 3.42Å; F473-L476 VanDerWaalsContact O-N 3.16Å; F473-C477 PolarHBondContact O-N 3.18Å; F473-C477 PolarHBondContact O-SG 3.09Å; F473-C477 VanDerWaalsContact O-SG 3.38Å; F473-L507 HydrophobicContact CD2-CD2 3.89Å; F473-L507 HydrophobicContact CE2-CD2 3.72Å; F473-L510 HydrophobicContact CD2-CD1 4.38Å; F473-F518 HydrophobicContact CD2-CE2 4.39Å; F473-F518 HydrophobicContact CD2-CZ 4.15Å; F473-F518 HydrophobicContact CE2-CE2 4.44Å; F473-F518 AromaticContact CE2-CZ 3.91Å; F473-F518 HydrophobicContact CE2-CZ 3.91Å; F473-F518 HydrophobicContact CZ-CZ 4.41Å; F473-A527 HydrophobicContact CD1-CB 4Å; F473-A527 HydrophobicContact CE1-CB 3.79Å; F473-I528 HydrophobicContact CE1-CG1 4.18Å; F473-I528 HydrophobicContact CZ-CG1 3.75Å; F473-L532 HydrophobicContact CZ-CB 4.23Å; F473-L532 HydrophobicContact CZ-CD2 4.16Å |
| 474 | R | 90.6 | Very high | 85.4 | Confident | 85 Ų | 85 | 43.5 Ų | 43.5 | 32% | 0.321 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.4 | -41.9 | 177.7 | -173.9 | 178.5 | 72.7 | 153.9 | -2 | 111.7 | F470 V472 C477 R478 Y531 | F470-R474 WeakPolarHBondContact O-CB 3.43Å; F470-R474 PolarHBondContact O-N 3.4Å; V472-R474 PolarHBondContact O-N 3.33Å; R474-C477 PolarHBondContact O-N 3.39Å; R474-R478 WeakPolarHBondContact O-CG 3.5Å; R474-R478 PolarHBondContact O-N 3.46Å; R474-Y531 HydrophobicContact CG-CD1 4.49Å; R474-Y531 HydrophobicContact CG-CD2 4.2Å; R474-Y531 HydrophobicContact CG-CE1 4.29Å; R474-Y531 HydrophobicContact CG-CE2 4.03Å; R474-Y531 HydrophobicContact CG-CG 4.45Å |
| 475 | S | 86.8 | Confident | 84 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 179.2 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | L471 V472 F473 R478 L479 | L471-S475 WeakPolarHBondContact O-CB 3.36Å; L471-S475 PolarHBondContact O-N 3.45Å; L471-S475 VanDerWaalsContact O-N 3.08Å; L471-S475 PolarHBondContact O-OG 3.05Å; V472-S475 PolarHBondContact O-N 3.47Å; F473-S475 VanDerWaalsContact C-N 3.27Å; F473-S475 PolarHBondContact O-N 3.37Å; S475-R478 PolarHBondContact O-N 3.1Å; S475-L479 WeakPolarHBondContact O-CG 3.31Å; S475-L479 PolarHBondContact O-N 3.27Å; S475-L479 VanDerWaalsContact O-N 3.09Å |
| 476 | L | 90.8 | Very high | 82.4 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 175.4 | -68.2 | 172.8 | 0 | 0 | 0 | 111.8 | I253 V472 F473 R478 L479 A480 L506 L507 L510 | I253-L476 HydrophobicContact CD1-CD1 3.92Å; V472-L476 HydrophobicContact CG1-CD1 4.2Å; V472-L476 WeakPolarHBondContact O-CG 3.41Å; V472-L476 PolarHBondContact O-N 2.82Å; F473-L476 PolarHBondContact O-N 3.42Å; F473-L476 VanDerWaalsContact O-N 3.16Å; L476-R478 PolarHBondContact O-N 3.25Å; L476-L479 PolarHBondContact O-N 3.11Å; L476-A480 PolarHBondContact O-N 3.38Å; L476-A480 VanDerWaalsContact O-N 3.1Å; L476-L506 HydrophobicContact CD1-CB 4.29Å; L476-L506 HydrophobicContact CD2-CB 4.29Å; L476-L506 HydrophobicContact CD2-CD1 3.92Å; L476-L507 HydrophobicContact CB-CD1 4.33Å; L476-L507 HydrophobicContact CB-CD2 3.79Å; L476-L507 HydrophobicContact CB-CG 3.94Å; L476-L507 HydrophobicContact CD1-CD2 4.41Å; L476-L510 HydrophobicContact CD1-CD1 4.14Å |
| 477 | C | 91.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 176.5 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | F473 R474 L479 A480 V481 | F473-C477 PolarHBondContact O-N 3.18Å; F473-C477 PolarHBondContact O-SG 3.09Å; F473-C477 VanDerWaalsContact O-SG 3.38Å; R474-C477 PolarHBondContact O-N 3.39Å; C477-L479 VanDerWaalsContact C-N 3.32Å; C477-L479 PolarHBondContact O-N 3.25Å; C477-A480 WeakPolarHBondContact O-CB 3.45Å; C477-A480 PolarHBondContact O-N 2.99Å; C477-V481 WeakPolarHBondContact O-CG2 3.4Å; C477-V481 PolarHBondContact O-N 3.42Å |
| 478 | R | 87.4 | Confident | 79.1 | Confident | 149 Ų | 149 | 54.3 Ų | 54.3 | 56% | 0.562 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | 177.1 | -73 | -176.6 | 72 | -174 | 5.1 | 112.8 | R474 S475 L476 A480 V481 | R474-R478 WeakPolarHBondContact O-CG 3.5Å; R474-R478 PolarHBondContact O-N 3.46Å; S475-R478 PolarHBondContact O-N 3.1Å; L476-R478 PolarHBondContact O-N 3.25Å; R478-A480 PolarHBondContact O-N 3.01Å; R478-V481 PolarHBondContact O-N 3.3Å |
| 479 | L | 83.4 | Confident | 77.5 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.8 | -30.5 | 174.5 | -71.6 | 170.1 | 0 | 0 | 0 | 112 | Y230 S475 L476 C477 | Y230-L479 HydrophobicContact CE1-CD1 4.39Å; Y230-L479 HydrophobicContact CE2-CD1 4.09Å; S475-L479 WeakPolarHBondContact O-CG 3.31Å; S475-L479 PolarHBondContact O-N 3.27Å; S475-L479 VanDerWaalsContact O-N 3.09Å; L476-L479 PolarHBondContact O-N 3.11Å; C477-L479 VanDerWaalsContact C-N 3.32Å; C477-L479 PolarHBondContact O-N 3.25Å |
| 480 | A | 88.3 | Confident | 76 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -73.9 | -22.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L476 C477 R478 K500 L504 L507 A535 N539 | L476-A480 PolarHBondContact O-N 3.38Å; L476-A480 VanDerWaalsContact O-N 3.1Å; C477-A480 WeakPolarHBondContact O-CB 3.45Å; C477-A480 PolarHBondContact O-N 2.99Å; R478-A480 PolarHBondContact O-N 3.01Å; A480-K500 WeakPolarHBondContact O-CE 3.03Å; A480-L504 HydrophobicContact CB-CD2 3.87Å; A480-L504 HydrophobicContact CB-CG 4.28Å; A480-L507 HydrophobicContact CB-CD1 4.2Å; A480-A535 HydrophobicContact CB-CB 4.02Å; A480-N539 PolarHBondContact O-ND2 3.1Å; A480-N539 PolarHBondContact O-OD1 2.86Å |
| 481 | V | 83.5 | Confident | 74.8 | Confident | 39 Ų | 39 | 62 Ų | 62 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -82 | -27 | -178.3 | 177 | 0 | 0 | 0 | 0 | 113.8 | C477 R478 D483 A535 K538 | C477-V481 WeakPolarHBondContact O-CG2 3.4Å; C477-V481 PolarHBondContact O-N 3.42Å; R478-V481 PolarHBondContact O-N 3.3Å; V481-D483 PolarHBondContact O-N 3.37Å; V481-A535 HydrophobicContact CG2-CB 3.56Å; V481-K538 HydrophobicContact CG1-CD 4.03Å; V481-K538 PolarHBondContact O-NZ 3.3Å |
| 482 | K | 74.5 | Confident | 73.6 | Confident | 136 Ų | 136 | 64.7 Ų | 64.7 | 59% | 0.591 | 36% | 0.358 | S | S | * | . | trans | -53.5 | 130.6 | -166 | -165.9 | 174.1 | -179.5 | 178.4 | 0 | 113.3 | K500 | K482-K500 WeakPolarHBondContact O-CE 3.48Å; K482-K500 PolarHBondContact O-NZ 2.92Å | ||
| 483 | D | 65 | Low | 72.5 | Confident | 97 Ų | 97 | 72.4 Ų | 72.4 | 52% | 0.519 | 39% | 0.391 | S | S | . | . | trans | -75.4 | 152 | -178.2 | -78.1 | -46.4 | 0 | 0 | 0 | 114.3 | V481 K538 | V481-D483 PolarHBondContact O-N 3.37Å; D483-K538 VanDerWaalsContact CG-CE 3.5Å; D483-K538 WeakPolarHBondContact OD1-CE 3.35Å; D483-K538 IonicContact OD1-NZ 3.11Å; D483-K538 PolarHBondContact OD1-NZ 2.99Å; D483-K538 IonicContact OD2-NZ 2.75Å; D483-K538 PolarHBondContact OD2-NZ 2.85Å | ||
| 484 | F | 65.5 | Low | 71.7 | Confident | 47 Ų | 47 | 73 Ų | 73 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | trans | -89.4 | 97.3 | 169 | -52 | -68.1 | 0 | 0 | 0 | 109.3 | A496 V497 K500 I547 | F484-A496 HydrophobicContact CD1-CB 3.63Å; F484-A496 HydrophobicContact CE1-CB 3.62Å; F484-V497 HydrophobicContact CE1-CG2 3.73Å; F484-V497 HydrophobicContact CZ-CG2 3.85Å; F484-K500 HydrophobicContact CZ-CD 4.02Å; F484-I547 HydrophobicContact CE2-CD1 4.22Å; F484-I547 HydrophobicContact CZ-CD1 3.72Å | ||
| 485 | T | 51.3 | Low | 71 | Confident | 132 Ų | 132 | 73.9 Ų | 73.9 | 81% | 0.81 | 40% | 0.403 | S | S | * | . | trans | -87.8 | 117.4 | 171.7 | 51.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 486 | G | 51.8 | Low | 70.5 | Confident | 55 Ų | 55 | 74 Ų | 74 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 106.9 | -169.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | D488 S489 | G486-D488 PolarHBondContact O-N 3.21Å; G486-S489 PolarHBondContact O-N 2.88Å; G486-S489 PolarHBondContact O-OG 3.12Å |
| 487 | S | 51.7 | Low | 70.1 | Confident | 116 Ų | 116 | 73.8 Ų | 73.8 | 81% | 0.811 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -59.5 | -13.2 | -175.8 | 51.6 | 0 | 0 | 0 | 0 | 114.7 | S489 | S487-S489 VanDerWaalsContact C-N 3.31Å; S487-S489 PolarHBondContact O-N 3.37Å |
| 488 | D | 51.9 | Low | 69.8 | Low | 98 Ų | 98 | 77.6 Ų | 77.6 | 52% | 0.524 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -82.5 | -6 | -177.1 | -62 | -9.5 | 0 | 0 | 0 | 113.3 | G486 N490 D491 | G486-D488 PolarHBondContact O-N 3.21Å; D488-N490 VanDerWaalsContact C-N 3.29Å; D488-N490 PolarHBondContact O-N 3.29Å; D488-D491 PolarHBondContact O-N 2.8Å |
| 489 | S | 56.7 | Low | 69.6 | Low | 27 Ų | 27 | 71.7 Ų | 71.7 | 19% | 0.189 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -65.2 | -22.4 | -172.6 | 53.5 | 0 | 0 | 0 | 0 | 115.7 | G486 S487 | G486-S489 PolarHBondContact O-N 2.88Å; G486-S489 PolarHBondContact O-OG 3.12Å; S487-S489 VanDerWaalsContact C-N 3.31Å; S487-S489 PolarHBondContact O-N 3.37Å |
| 490 | N | 59.2 | Low | 69.8 | Low | 109 Ų | 109 | 69.1 Ų | 69.1 | 58% | 0.583 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -109.8 | -0 | 179.1 | -73.7 | -6.8 | 0 | 0 | 0 | 113.3 | D488 P492 | D488-N490 VanDerWaalsContact C-N 3.29Å; D488-N490 PolarHBondContact O-N 3.29Å; N490-P492 WeakPolarHBondContact O-CD 3.33Å |
| 491 | D | 67.5 | Low | 69.9 | Low | 75 Ų | 75 | 69.4 Ų | 69.4 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | trans | -85.4 | 108.8 | 177.4 | -177.6 | 8.6 | 0 | 0 | 0 | 110.3 | D488 K493 S494 | D488-D491 PolarHBondContact O-N 2.8Å; D491-K493 PolarHBondContact O-N 3.39Å; D491-K493 VanDerWaalsContact O-N 3.13Å; D491-K493 PolarHBondContact OD1-N 2.74Å; D491-S494 VanDerWaalsContact O-CB 3.28Å; D491-S494 WeakPolarHBondContact O-CB 3.43Å; D491-S494 PolarHBondContact O-N 3.46Å; D491-S494 PolarHBondContact O-OG 2.97Å | ||
| 492 | P | 63.5 | Low | 70.2 | Confident | 83 Ų | 83 | 67.6 Ų | 67.6 | 54% | 0.539 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.6 | 179 | 27.5 | -35.4 | 0 | 0 | 0 | 112.9 | N490 | N490-P492 WeakPolarHBondContact O-CD 3.33Š|
| 493 | K | 68.7 | Low | 71 | Confident | 163 Ų | 163 | 61.1 Ų | 61.1 | 71% | 0.709 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 0.2 | 178 | -66.4 | -178.3 | -179.8 | 176.1 | 0 | 113.4 | D491 R498 | D491-K493 PolarHBondContact O-N 3.39Å; D491-K493 VanDerWaalsContact O-N 3.13Å; D491-K493 PolarHBondContact OD1-N 2.74Å; K493-R498 PolarHBondContact O-NH2 3.16Å |
| 494 | S | 76.8 | Confident | 72.3 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 8% | 0.077 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -61.9 | 149.7 | 179.4 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | D491 A496 V497 R498 | D491-S494 VanDerWaalsContact O-CB 3.28Å; D491-S494 WeakPolarHBondContact O-CB 3.43Å; D491-S494 PolarHBondContact O-N 3.46Å; D491-S494 PolarHBondContact O-OG 2.97Å; S494-A496 PolarHBondContact O-N 3.09Å; S494-V497 PolarHBondContact O-N 3.02Å; S494-V497 WeakPolarHBondContact OG-CG2 3.44Å; S494-V497 PolarHBondContact OG-N 3.3Å; S494-R498 PolarHBondContact O-N 3.48Å |
| 495 | H | 75.2 | Confident | 73.7 | Confident | 104 Ų | 104 | 55.7 Ų | 55.7 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.5 | -33 | 178 | -125.3 | -88.5 | 0 | 0 | 0 | 112.3 | M234 S499 | M234-H495 PolarHBondContact O-CE1 3.19Å; M234-H495 PolarHBondContact O-NE2 3.28Å; H495-S499 VanDerWaalsContact O-CB 3.24Å; H495-S499 WeakPolarHBondContact O-CB 3.48Å; H495-S499 PolarHBondContact O-N 3.13Å |
| 496 | A | 76.7 | Confident | 75.6 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F484 S494 S499 K500 | F484-A496 HydrophobicContact CD1-CB 3.63Å; F484-A496 HydrophobicContact CE1-CB 3.62Å; S494-A496 PolarHBondContact O-N 3.09Å; A496-S499 WeakPolarHBondContact O-CB 3.4Å; A496-S499 PolarHBondContact O-N 3.44Å; A496-K500 WeakPolarHBondContact O-CB 3.17Å; A496-K500 PolarHBondContact O-N 3.48Å |
| 497 | V | 82.6 | Confident | 77.6 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 177.1 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | F484 S494 S499 K500 S501 I544 I547 | F484-V497 HydrophobicContact CE1-CG2 3.73Å; F484-V497 HydrophobicContact CZ-CG2 3.85Å; S494-V497 PolarHBondContact O-N 3.02Å; S494-V497 WeakPolarHBondContact OG-CG2 3.44Å; S494-V497 PolarHBondContact OG-N 3.3Å; V497-S499 VanDerWaalsContact C-N 3.29Å; V497-S499 PolarHBondContact O-N 3.04Å; V497-K500 PolarHBondContact O-N 3.25Å; V497-S501 WeakPolarHBondContact O-CB 3.18Å; V497-S501 PolarHBondContact O-N 3.02Å; V497-I544 HydrophobicContact CB-CD1 4.49Å; V497-I544 HydrophobicContact CG1-CD1 4.32Å; V497-I544 HydrophobicContact CG1-CG2 4.35Å; V497-I544 HydrophobicContact CG2-CD1 3.34Å; V497-I547 HydrophobicContact CB-CD1 4.39Å; V497-I547 HydrophobicContact CG1-CD1 3.93Å; V497-I547 HydrophobicContact CG1-CG1 4.5Å; V497-I547 HydrophobicContact CG2-CD1 4.19Å |
| 498 | R | 84 | Confident | 79.7 | Confident | 80 Ų | 80 | 42.3 Ų | 42.3 | 30% | 0.302 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.5 | -40 | 176 | -166.3 | -176.5 | -57.2 | 116.3 | 14.9 | 112.3 | F233 K493 S494 L502 | F233-R498 HydrophobicContact CE1-CG 4Å; K493-R498 PolarHBondContact O-NH2 3.16Å; S494-R498 PolarHBondContact O-N 3.48Å; R498-L502 PolarHBondContact O-N 3.03Å |
| 499 | S | 84.4 | Confident | 81.5 | Confident | 25 Ų | 25 | 40.4 Ų | 40.4 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.8 | -54.1 | 173.9 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | Y230 H495 A496 V497 L502 S503 | Y230-S499 WeakPolarHBondContact OH-CA 3.39Å; Y230-S499 PolarHBondContact OH-O 2.89Å; Y230-S499 PolarHBondContact OH-OG 3.39Å; H495-S499 VanDerWaalsContact O-CB 3.24Å; H495-S499 WeakPolarHBondContact O-CB 3.48Å; H495-S499 PolarHBondContact O-N 3.13Å; A496-S499 WeakPolarHBondContact O-CB 3.4Å; A496-S499 PolarHBondContact O-N 3.44Å; V497-S499 VanDerWaalsContact C-N 3.29Å; V497-S499 PolarHBondContact O-N 3.04Å; S499-L502 PolarHBondContact O-N 3.25Å; S499-S503 PolarHBondContact O-N 3.19Å; S499-S503 VanDerWaalsContact O-N 3.11Å; S499-S503 PolarHBondContact O-OG 2.85Å |
| 500 | K | 88 | Confident | 83.1 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | -179.7 | -173.8 | 172.1 | -73.6 | -163.8 | 0 | 112.3 | A480 K482 F484 A496 V497 L502 S503 L504 N539 I547 | A480-K500 WeakPolarHBondContact O-CE 3.03Å; K482-K500 WeakPolarHBondContact O-CE 3.48Å; K482-K500 PolarHBondContact O-NZ 2.92Å; F484-K500 HydrophobicContact CZ-CD 4.02Å; A496-K500 WeakPolarHBondContact O-CB 3.17Å; A496-K500 PolarHBondContact O-N 3.48Å; V497-K500 PolarHBondContact O-N 3.25Å; K500-L502 PolarHBondContact O-N 3.09Å; K500-S503 WeakPolarHBondContact CA-OG 3.45Å; K500-S503 PolarHBondContact O-N 3.3Å; K500-S503 PolarHBondContact O-OG 3Å; K500-L504 HydrophobicContact CG-CD1 4.09Å; K500-L504 WeakPolarHBondContact O-CG 3.37Å; K500-L504 PolarHBondContact O-N 3.43Å; K500-N539 WeakPolarHBondContact CD-OD1 3.37Å; K500-N539 PolarHBondContact NZ-OD1 3.03Å; K500-I547 HydrophobicContact CD-CD1 3.98Å; K500-I547 HydrophobicContact CD-CG1 4.36Å; K500-I547 HydrophobicContact CD-CG2 3.97Å; K500-I547 HydrophobicContact CG-CD1 4.45Å; K500-I547 HydrophobicContact CG-CG1 4.5Å |
| 501 | S | 88.9 | Confident | 84.5 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 5% | 0.049 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.4 | -47.8 | 176.3 | 174 | 0 | 0 | 0 | 0 | 111.6 | V497 S503 L504 Q505 E546 | V497-S501 WeakPolarHBondContact O-CB 3.18Å; V497-S501 PolarHBondContact O-N 3.02Å; S501-S503 PolarHBondContact O-N 3.4Å; S501-L504 PolarHBondContact O-N 3.28Å; S501-Q505 WeakPolarHBondContact O-CB 3.37Å; S501-Q505 VanDerWaalsContact O-CG 3.27Å; S501-Q505 WeakPolarHBondContact O-CG 3.47Å; S501-Q505 PolarHBondContact O-N 3.47Å; S501-Q505 PolarHBondContact OG-NE2 3.29Å; S501-E546 WeakPolarHBondContact CB-OE1 3.43Å; S501-E546 PolarHBondContact OG-OE1 3.14Å |
| 502 | L | 89.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 176.7 | 178.7 | 67 | 0 | 0 | 0 | 112 | Y230 F233 M234 R246 L249 R498 S499 K500 L504 Q505 L506 | Y230-L502 HydrophobicContact CD2-CD2 3.66Å; Y230-L502 HydrophobicContact CE2-CD2 3.66Å; Y230-L502 HydrophobicContact CE2-CG 4.24Å; F233-L502 HydrophobicContact CB-CD2 4.18Å; F233-L502 HydrophobicContact CD1-CB 4.46Å; F233-L502 HydrophobicContact CD1-CD2 3.41Å; F233-L502 VanDerWaalsContact CD1-CD2 3.41Å; F233-L502 HydrophobicContact CD1-CG 4.36Å; F233-L502 HydrophobicContact CD2-CD1 4.43Å; F233-L502 HydrophobicContact CD2-CD2 4.17Å; F233-L502 HydrophobicContact CE1-CB 3.89Å; F233-L502 HydrophobicContact CE1-CD1 4.3Å; F233-L502 HydrophobicContact CE1-CD2 3.67Å; F233-L502 HydrophobicContact CE1-CG 4.15Å; F233-L502 HydrophobicContact CE2-CD1 4.11Å; F233-L502 HydrophobicContact CE2-CD2 4.43Å; F233-L502 HydrophobicContact CG-CD2 3.66Å; F233-L502 HydrophobicContact CZ-CB 4.25Å; F233-L502 HydrophobicContact CZ-CD1 4.03Å; F233-L502 HydrophobicContact CZ-CD2 4.2Å; F233-L502 HydrophobicContact CZ-CG 4.38Å; M234-L502 HydrophobicContact CE-CB 4.12Å; M234-L502 HydrophobicContact CE-CD2 3.79Å; R246-L502 HydrophobicContact CB-CD1 4.4Å; R246-L502 HydrophobicContact CG-CD1 3.94Å; L249-L502 HydrophobicContact CD1-CD2 3.94Å; R498-L502 PolarHBondContact O-N 3.03Å; S499-L502 PolarHBondContact O-N 3.25Å; K500-L502 PolarHBondContact O-N 3.09Å; L502-L504 VanDerWaalsContact C-N 3.32Å; L502-L504 PolarHBondContact O-N 3.05Å; L502-Q505 PolarHBondContact O-N 3.46Å; L502-L506 HydrophobicContact CD1-CD1 4.24Å; L502-L506 HydrophobicContact CD1-CG 4.16Å; L502-L506 HydrophobicContact CD2-CD1 4.49Å; L502-L506 HydrophobicContact CG-CD1 4.04Å; L502-L506 HydrophobicContact CG-CG 4.35Å; L502-L506 WeakPolarHBondContact O-CG 3.36Å; L502-L506 PolarHBondContact O-N 3.46Å |
| 503 | S | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 179.7 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | S499 K500 S501 L506 L507 | S499-S503 PolarHBondContact O-N 3.19Å; S499-S503 VanDerWaalsContact O-N 3.11Å; S499-S503 PolarHBondContact O-OG 2.85Å; K500-S503 WeakPolarHBondContact CA-OG 3.45Å; K500-S503 PolarHBondContact O-N 3.3Å; K500-S503 PolarHBondContact O-OG 3Å; S501-S503 PolarHBondContact O-N 3.4Å; S503-L506 PolarHBondContact O-N 2.8Å; S503-L507 WeakPolarHBondContact O-CG 3.49Å; S503-L507 PolarHBondContact O-N 3.15Å |
| 504 | L | 93.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67 | -39.6 | 177.4 | -69.5 | 169.8 | 0 | 0 | 0 | 111.3 | A480 K500 S501 L502 L506 L507 L508 I547 L550 I554 | A480-L504 HydrophobicContact CB-CD2 3.87Å; A480-L504 HydrophobicContact CB-CG 4.28Å; K500-L504 HydrophobicContact CG-CD1 4.09Å; K500-L504 WeakPolarHBondContact O-CG 3.37Å; K500-L504 PolarHBondContact O-N 3.43Å; S501-L504 PolarHBondContact O-N 3.28Å; L502-L504 VanDerWaalsContact C-N 3.32Å; L502-L504 PolarHBondContact O-N 3.05Å; L504-L506 VanDerWaalsContact C-N 3.34Å; L504-L506 PolarHBondContact O-N 2.88Å; L504-L507 PolarHBondContact O-N 2.95Å; L504-L508 WeakPolarHBondContact O-CB 3.21Å; L504-L508 PolarHBondContact O-N 3.4Å; L504-I547 HydrophobicContact CD1-CG2 4.07Å; L504-L550 HydrophobicContact CB-CB 3.92Å; L504-L550 HydrophobicContact CB-CD1 4.11Å; L504-L550 HydrophobicContact CD1-CB 4.13Å; L504-I554 HydrophobicContact CB-CD1 3.98Å; L504-I554 HydrophobicContact CD2-CD1 3.57Å; L504-I554 HydrophobicContact CG-CD1 4.38Å; L504-I554 WeakPolarHBondContact O-CD1 3.21Å |
| 505 | Q | 93.5 | Very high | 87.5 | Confident | 30 Ų | 30 | 34 Ų | 34 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 175 | -73.3 | 170.1 | 5.3 | 0 | 0 | 112.6 | S501 L502 L508 N509 L550 | S501-Q505 WeakPolarHBondContact O-CB 3.37Å; S501-Q505 VanDerWaalsContact O-CG 3.27Å; S501-Q505 WeakPolarHBondContact O-CG 3.47Å; S501-Q505 PolarHBondContact O-N 3.47Å; S501-Q505 PolarHBondContact OG-NE2 3.29Å; L502-Q505 PolarHBondContact O-N 3.46Å; Q505-L508 PolarHBondContact O-N 3.2Å; Q505-N509 VanDerWaalsContact O-CG 3.27Å; Q505-N509 PolarHBondContact O-N 2.83Å; Q505-L550 HydrophobicContact CG-CD1 3.93Å; Q505-L550 HydrophobicContact CG-CD2 3.67Å; Q505-L550 HydrophobicContact CG-CG 4.49Å |
| 506 | L | 92.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.8 | -40.6 | 176.6 | -66.5 | 174.4 | 0 | 0 | 0 | 111.5 | L249 I253 L476 L502 S503 L504 N509 L510 | L249-L506 HydrophobicContact CB-CD1 4.28Å; L249-L506 HydrophobicContact CB-CD2 4.08Å; L249-L506 HydrophobicContact CD1-CD1 4.3Å; I253-L506 HydrophobicContact CD1-CB 4.17Å; I253-L506 HydrophobicContact CD1-CD1 3.94Å; I253-L506 HydrophobicContact CD1-CD2 4.08Å; I253-L506 HydrophobicContact CD1-CG 4.28Å; L476-L506 HydrophobicContact CD1-CB 4.29Å; L476-L506 HydrophobicContact CD2-CB 4.29Å; L476-L506 HydrophobicContact CD2-CD1 3.92Å; L502-L506 HydrophobicContact CD1-CD1 4.24Å; L502-L506 HydrophobicContact CD1-CG 4.16Å; L502-L506 HydrophobicContact CD2-CD1 4.49Å; L502-L506 HydrophobicContact CG-CD1 4.04Å; L502-L506 HydrophobicContact CG-CG 4.35Å; L502-L506 WeakPolarHBondContact O-CG 3.36Å; L502-L506 PolarHBondContact O-N 3.46Å; S503-L506 PolarHBondContact O-N 2.8Å; L504-L506 VanDerWaalsContact C-N 3.34Å; L504-L506 PolarHBondContact O-N 2.88Å; L506-N509 PolarHBondContact O-N 3.18Å; L506-L510 PolarHBondContact O-N 2.87Å |
| 507 | L | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 173.9 | -73.1 | 164.9 | 0 | 0 | 0 | 112.1 | F473 L476 A480 S503 L504 L510 L511 L532 I554 | F473-L507 HydrophobicContact CD2-CD2 3.89Å; F473-L507 HydrophobicContact CE2-CD2 3.72Å; L476-L507 HydrophobicContact CB-CD1 4.33Å; L476-L507 HydrophobicContact CB-CD2 3.79Å; L476-L507 HydrophobicContact CB-CG 3.94Å; L476-L507 HydrophobicContact CD1-CD2 4.41Å; A480-L507 HydrophobicContact CB-CD1 4.2Å; S503-L507 WeakPolarHBondContact O-CG 3.49Å; S503-L507 PolarHBondContact O-N 3.15Å; L504-L507 PolarHBondContact O-N 2.95Å; L507-L510 WeakPolarHBondContact O-CB 3.37Å; L507-L510 PolarHBondContact O-N 3.48Å; L507-L511 WeakPolarHBondContact O-CG 3.23Å; L507-L511 PolarHBondContact O-N 3.34Å; L507-L511 VanDerWaalsContact O-N 3.11Å; L507-L532 HydrophobicContact CD1-CD1 3.95Å; L507-I554 HydrophobicContact CB-CD1 4.21Å |
| 508 | L | 94.1 | Very high | 88.5 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 176.1 | -179.2 | 59.5 | 0 | 0 | 0 | 111.3 | L504 Q505 L510 L511 Q512 L550 A553 I554 A557 | L504-L508 WeakPolarHBondContact O-CB 3.21Å; L504-L508 PolarHBondContact O-N 3.4Å; Q505-L508 PolarHBondContact O-N 3.2Å; L508-L510 VanDerWaalsContact C-N 3.26Å; L508-L510 PolarHBondContact O-N 3.49Å; L508-L511 PolarHBondContact O-N 3.19Å; L508-L511 VanDerWaalsContact O-N 3.13Å; L508-Q512 HydrophobicContact CD1-CG 4.1Å; L508-Q512 HydrophobicContact CG-CG 4.29Å; L508-Q512 VanDerWaalsContact O-CG 3.31Å; L508-Q512 WeakPolarHBondContact O-CG 3.32Å; L508-Q512 PolarHBondContact O-N 3.49Å; L508-L550 HydrophobicContact CD2-CD2 4.36Å; L508-A553 HydrophobicContact CD1-CB 4.11Å; L508-A553 HydrophobicContact CD2-CB 3.91Å; L508-I554 HydrophobicContact CB-CD1 4.46Å; L508-I554 HydrophobicContact CB-CG1 3.77Å; L508-I554 HydrophobicContact CD1-CG1 3.97Å; L508-I554 HydrophobicContact CG-CG1 4.41Å; L508-A557 HydrophobicContact CD1-CB 4.46Å |
| 509 | N | 90.6 | Very high | 88.4 | Confident | 59 Ų | 59 | 31 Ų | 31 | 32% | 0.316 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.8 | -35.4 | 177.6 | -72.7 | -13.3 | 0 | 0 | 0 | 112.4 | T250 Q505 L506 | T250-N509 HydrophobicContact CG2-CB 4.45Å; Q505-N509 VanDerWaalsContact O-CG 3.27Å; Q505-N509 PolarHBondContact O-N 2.83Å; L506-N509 PolarHBondContact O-N 3.18Å |
| 510 | L | 89.5 | Confident | 88.2 | Confident | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.073 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.7 | -38 | 174.6 | -80.5 | 174.1 | 0 | 0 | 0 | 112.9 | I253 F257 F473 L476 L506 L507 L508 | I253-L510 HydrophobicContact CG2-CD1 3.66Å; I253-L510 HydrophobicContact CG2-CD2 3.32Å; I253-L510 HydrophobicContact CG2-CG 3.54Å; F257-L510 HydrophobicContact CB-CD2 4.38Å; F257-L510 HydrophobicContact CD1-CD2 4.03Å; F257-L510 HydrophobicContact CD2-CD2 3.45Å; F257-L510 VanDerWaalsContact CD2-CD2 3.45Å; F257-L510 HydrophobicContact CE1-CD2 4.14Å; F257-L510 HydrophobicContact CE2-CD1 3.88Å; F257-L510 HydrophobicContact CE2-CD2 3.58Å; F257-L510 HydrophobicContact CE2-CG 4.39Å; F257-L510 HydrophobicContact CG-CD2 3.67Å; F257-L510 HydrophobicContact CZ-CD1 3.96Å; F257-L510 HydrophobicContact CZ-CD2 3.93Å; F473-L510 HydrophobicContact CD2-CD1 4.38Å; L476-L510 HydrophobicContact CD1-CD1 4.14Å; L506-L510 PolarHBondContact O-N 2.87Å; L507-L510 WeakPolarHBondContact O-CB 3.37Å; L507-L510 PolarHBondContact O-N 3.48Å; L508-L510 VanDerWaalsContact C-N 3.26Å; L508-L510 PolarHBondContact O-N 3.49Å |
| 511 | L | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -89.5 | -11.5 | -174 | -69.9 | 162.6 | 0 | 0 | 0 | 113.9 | L507 L508 Q513 P514 F518 L532 I554 A557 L558 Y561 F562 | L507-L511 WeakPolarHBondContact O-CG 3.23Å; L507-L511 PolarHBondContact O-N 3.34Å; L507-L511 VanDerWaalsContact O-N 3.11Å; L508-L511 PolarHBondContact O-N 3.19Å; L508-L511 VanDerWaalsContact O-N 3.13Å; L511-Q513 VanDerWaalsContact C-N 3.34Å; L511-P514 WeakPolarHBondContact O-CD 3.45Å; L511-F518 HydrophobicContact CD2-CE1 3.67Å; L511-F518 HydrophobicContact CD2-CZ 4.14Å; L511-F518 HydrophobicContact CG-CE1 4.48Å; L511-L532 HydrophobicContact CD1-CD2 3.5Å; L511-I554 HydrophobicContact CD1-CG2 3.59Å; L511-A557 HydrophobicContact CB-CB 3.93Å; L511-L558 HydrophobicContact CD1-CD2 4.15Å; L511-L558 HydrophobicContact CD1-CG 4.5Å; L511-L558 HydrophobicContact CD2-CD2 3.86Å; L511-Y561 VanDerWaalsContact O-CD2 3.3Å; L511-Y561 WeakPolarHBondContact O-CD2 3.32Å; L511-Y561 WeakPolarHBondContact O-CE2 3.47Å; L511-F562 HydrophobicContact CD2-CD2 4.25Å; L511-F562 HydrophobicContact CD2-CE2 3.59Å; L511-F562 HydrophobicContact CD2-CZ 4.21Å |
| 512 | Q | 87.7 | Confident | 87.8 | Confident | 97 Ų | 97 | 42.1 Ų | 42.1 | 45% | 0.453 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -72.7 | -26.7 | 178.1 | -84.4 | 178.9 | -10.7 | 0 | 0 | 113.3 | L508 Y561 | L508-Q512 HydrophobicContact CD1-CG 4.1Å; L508-Q512 HydrophobicContact CG-CG 4.29Å; L508-Q512 VanDerWaalsContact O-CG 3.31Å; L508-Q512 WeakPolarHBondContact O-CG 3.32Å; L508-Q512 PolarHBondContact O-N 3.49Å; Q512-Y561 PolarHBondContact O-OH 3.1Å |
| 513 | Q | 81.3 | Confident | 87.6 | Confident | 176 Ų | 176 | 46 Ų | 46 | 82% | 0.822 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -143.2 | 71 | 174.2 | -67.9 | -165.7 | -21 | 0 | 0 | 109.2 | L511 | L511-Q513 VanDerWaalsContact C-N 3.34Š|
| 514 | P | 86.6 | Confident | 87.6 | Confident | 25 Ų | 25 | 46 Ų | 46 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | trans | -67.9 | 136.6 | 178.5 | 30.3 | -31.7 | 0 | 0 | 0 | 109 | L511 F518 Y561 F562 | L511-P514 WeakPolarHBondContact O-CD 3.45Å; P514-F518 HydrophobicContact CB-CD1 3.6Å; P514-F518 HydrophobicContact CB-CE1 4.28Å; P514-Y561 HydrophobicContact CG-CD1 3.9Å; P514-Y561 HydrophobicContact CG-CD2 3.79Å; P514-Y561 HydrophobicContact CG-CE2 4.41Å; P514-Y561 HydrophobicContact CG-CG 3.52Å; P514-F562 HydrophobicContact CB-CE2 4.11Å; P514-F562 HydrophobicContact CB-CZ 4.17Å; P514-F562 HydrophobicContact CG-CE2 4.19Å | ||
| 515 | G | 83 | Confident | 87.4 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 21% | 0.206 | 25% | 0.252 | C | S | . | . | trans | -73.2 | 165.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E261 L517 F518 S519 | E261-G515 VanDerWaalsContact CD-CA 3.49Å; E261-G515 WeakPolarHBondContact OE1-CA 3.28Å; G515-L517 VanDerWaalsContact C-N 3.34Å; G515-L517 PolarHBondContact O-N 3.24Å; G515-F518 PolarHBondContact O-N 3.34Å; G515-S519 PolarHBondContact O-N 3.38Å; G515-S519 PolarHBondContact O-OG 3.17Å | ||
| 516 | P | 83.4 | Confident | 87.1 | Confident | 96 Ų | 96 | 47.8 Ų | 47.8 | 62% | 0.623 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.6 | -41.8 | -175.7 | 22.1 | -32.5 | 0 | 0 | 0 | 112.6 | E261 S519 T520 | E261-P516 WeakPolarHBondContact OE2-CD 3.33Å; E261-P516 WeakPolarHBondContact OE2-CG 3.44Å; P516-S519 PolarHBondContact O-N 3.07Å; P516-S519 PolarHBondContact O-OG 3.16Å; P516-T520 WeakPolarHBondContact O-CG2 3.3Å; P516-T520 PolarHBondContact O-N 2.83Å; P516-T520 VanDerWaalsContact O-N 3.12Å; P516-T520 PolarHBondContact O-OG1 3.28Å |
| 517 | L | 83.2 | Confident | 86.8 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 177.2 | -173.6 | 74.4 | 0 | 0 | 0 | 111.1 | M260 E261 A264 G515 S519 T520 S521 | M260-L517 HydrophobicContact CE-CD2 4.22Å; M260-L517 HydrophobicContact CG-CD2 3.68Å; M260-L517 HydrophobicContact SD-CD2 4.07Å; E261-L517 PolarHBondContact OE1-N 3.11Å; E261-L517 WeakPolarHBondContact OE2-CB 3.43Å; E261-L517 PolarHBondContact OE2-N 3.04Å; A264-L517 HydrophobicContact CB-CD1 4.18Å; A264-L517 HydrophobicContact CB-CD2 3.61Å; A264-L517 HydrophobicContact CB-CG 4.32Å; G515-L517 VanDerWaalsContact C-N 3.34Å; G515-L517 PolarHBondContact O-N 3.24Å; L517-S519 PolarHBondContact O-N 3.07Å; L517-T520 PolarHBondContact O-N 3.13Å; L517-S521 WeakPolarHBondContact O-CB 3.44Å; L517-S521 PolarHBondContact O-N 3.31Å |
| 518 | F | 88.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.7 | -33.8 | 179.1 | -174.2 | -123.5 | 0 | 0 | 0 | 112.3 | F257 M260 E261 F473 L511 P514 G515 F524 F562 | F257-F518 HydrophobicContact CD1-CD2 4.29Å; F257-F518 HydrophobicContact CD1-CG 4.33Å; F257-F518 AromaticContact CE1-CD2 3.62Å; F257-F518 HydrophobicContact CE1-CD2 3.62Å; F257-F518 AromaticContact CE1-CE2 3.7Å; F257-F518 HydrophobicContact CE1-CE2 3.7Å; F257-F518 HydrophobicContact CE1-CG 4.06Å; F257-F518 HydrophobicContact CE1-CZ 4.21Å; F257-F518 HydrophobicContact CZ-CE2 4.39Å; M260-F518 HydrophobicContact CE-CB 4.1Å; E261-F518 PolarHBondContact OE1-N 3.24Å; F473-F518 HydrophobicContact CD2-CE2 4.39Å; F473-F518 HydrophobicContact CD2-CZ 4.15Å; F473-F518 HydrophobicContact CE2-CE2 4.44Å; F473-F518 AromaticContact CE2-CZ 3.91Å; F473-F518 HydrophobicContact CE2-CZ 3.91Å; F473-F518 HydrophobicContact CZ-CZ 4.41Å; L511-F518 HydrophobicContact CD2-CE1 3.67Å; L511-F518 HydrophobicContact CD2-CZ 4.14Å; L511-F518 HydrophobicContact CG-CE1 4.48Å; P514-F518 HydrophobicContact CB-CD1 3.6Å; P514-F518 HydrophobicContact CB-CE1 4.28Å; G515-F518 PolarHBondContact O-N 3.34Å; F518-F524 HydrophobicContact CD2-CB 3.8Å; F518-F524 AromaticContact CD2-CD1 3.6Å; F518-F524 HydrophobicContact CD2-CD1 3.6Å; F518-F524 AromaticContact CD2-CD2 3.84Å; F518-F524 HydrophobicContact CD2-CD2 3.84Å; F518-F524 HydrophobicContact CD2-CE1 4.03Å; F518-F524 HydrophobicContact CD2-CE2 4.28Å; F518-F524 AromaticContact CD2-CG 3.48Å; F518-F524 HydrophobicContact CD2-CG 3.48Å; F518-F524 VanDerWaalsContact CD2-CG 3.48Å; F518-F524 HydrophobicContact CD2-CZ 4.37Å; F518-F524 HydrophobicContact CE2-CB 3.87Å; F518-F524 AromaticContact CE2-CD1 3.42Å; F518-F524 HydrophobicContact CE2-CD1 3.42Å; F518-F524 VanDerWaalsContact CE2-CD1 3.42Å; F518-F524 HydrophobicContact CE2-CD2 4.47Å; F518-F524 AromaticContact CE2-CE1 3.99Å; F518-F524 HydrophobicContact CE2-CE1 3.99Å; F518-F524 AromaticContact CE2-CG 3.69Å; F518-F524 HydrophobicContact CE2-CG 3.69Å; F518-F562 AromaticContact CD1-CZ 3.9Å; F518-F562 HydrophobicContact CD1-CZ 3.9Å; F518-F562 HydrophobicContact CE1-CE2 4.42Å; F518-F562 AromaticContact CE1-CZ 3.89Å; F518-F562 HydrophobicContact CE1-CZ 3.89Å; F518-F562 WeakPolarHBondContact O-CE1 3.36Å |
| 519 | S | 83.5 | Confident | 86.5 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 21% | 0.21 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -75.5 | -31 | 178.3 | 68.3 | 0 | 0 | 0 | 0 | 114.7 | G515 P516 L517 | G515-S519 PolarHBondContact O-N 3.38Å; G515-S519 PolarHBondContact O-OG 3.17Å; P516-S519 PolarHBondContact O-N 3.07Å; P516-S519 PolarHBondContact O-OG 3.16Å; L517-S519 PolarHBondContact O-N 3.07Å |
| 520 | T | 79.8 | Confident | 86.4 | Confident | 95 Ų | 95 | 53.2 Ų | 53.2 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -105.1 | -19.3 | -172.3 | 54.2 | 0 | 0 | 0 | 0 | 114 | P516 L517 E522 | P516-T520 WeakPolarHBondContact O-CG2 3.3Å; P516-T520 PolarHBondContact O-N 2.83Å; P516-T520 VanDerWaalsContact O-N 3.12Å; P516-T520 PolarHBondContact O-OG1 3.28Å; L517-T520 PolarHBondContact O-N 3.13Å; T520-E522 PolarHBondContact O-N 2.88Å |
| 521 | S | 84.5 | Confident | 86.4 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | trans | -69.9 | 122.4 | -175.3 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | Q466 L517 I523 F524 I525 | Q466-S521 PolarHBondContact NE2-OG 3.23Å; L517-S521 WeakPolarHBondContact O-CB 3.44Å; L517-S521 PolarHBondContact O-N 3.31Å; S521-I523 PolarHBondContact O-N 3.43Å; S521-F524 PolarHBondContact O-N 2.92Å; S521-F524 VanDerWaalsContact O-N 3.09Å; S521-I525 WeakPolarHBondContact O-CG1 3.4Å; S521-I525 PolarHBondContact O-N 2.74Å | ||
| 522 | E | 83.9 | Confident | 86.6 | Confident | 165 Ų | 165 | 55.2 Ų | 55.2 | 77% | 0.771 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -56.6 | -35.3 | 177.3 | -63.3 | -169.6 | 161 | 0 | 0 | 113 | T520 F524 I525 A526 | T520-E522 PolarHBondContact O-N 2.88Å; E522-F524 VanDerWaalsContact C-N 3.35Å; E522-F524 PolarHBondContact O-N 2.74Å; E522-I525 PolarHBondContact O-N 3.28Å; E522-A526 VanDerWaalsContact O-CB 3.24Å; E522-A526 WeakPolarHBondContact O-CB 3.25Å; E522-A526 PolarHBondContact O-N 3.03Å |
| 523 | I | 85.3 | Confident | 86.8 | Confident | 83 Ų | 83 | 51 Ų | 51 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 179 | -58.6 | 177.4 | 0 | 0 | 0 | 110.5 | F470 S521 A527 | F470-I523 HydrophobicContact CD2-CG2 3.58Å; F470-I523 HydrophobicContact CE2-CG2 3.67Å; F470-I523 HydrophobicContact CG-CG2 4.42Å; S521-I523 PolarHBondContact O-N 3.43Å; I523-A527 WeakPolarHBondContact O-CB 3.48Å; I523-A527 PolarHBondContact O-N 3.3Å |
| 524 | F | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.5 | -36.6 | 178.9 | -72.7 | -68.1 | 0 | 0 | 0 | 112.2 | F257 M260 Q466 A469 F470 F518 S521 E522 A526 A527 I528 | F257-F524 HydrophobicContact CE1-CE1 4.49Å; M260-F524 HydrophobicContact CE-CE2 4.13Å; M260-F524 HydrophobicContact CE-CZ 4.37Å; M260-F524 HydrophobicContact SD-CE2 3.47Å; M260-F524 WeakPolarHBondContact SD-CE2 3.39Å; M260-F524 HydrophobicContact SD-CZ 3.53Å; M260-F524 VanDerWaalsContact SD-CZ 3.53Å; Q466-F524 HydrophobicContact CG-CE2 3.86Å; Q466-F524 HydrophobicContact CG-CZ 4.34Å; A469-F524 HydrophobicContact CB-CZ 3.99Å; F470-F524 HydrophobicContact CB-CE1 3.98Å; F470-F524 HydrophobicContact CB-CZ 4.19Å; F470-F524 HydrophobicContact CD2-CD1 4.42Å; F470-F524 HydrophobicContact CD2-CE1 4.35Å; F518-F524 HydrophobicContact CD2-CB 3.8Å; F518-F524 AromaticContact CD2-CD1 3.6Å; F518-F524 HydrophobicContact CD2-CD1 3.6Å; F518-F524 AromaticContact CD2-CD2 3.84Å; F518-F524 HydrophobicContact CD2-CD2 3.84Å; F518-F524 HydrophobicContact CD2-CE1 4.03Å; F518-F524 HydrophobicContact CD2-CE2 4.28Å; F518-F524 AromaticContact CD2-CG 3.48Å; F518-F524 HydrophobicContact CD2-CG 3.48Å; F518-F524 VanDerWaalsContact CD2-CG 3.48Å; F518-F524 HydrophobicContact CD2-CZ 4.37Å; F518-F524 HydrophobicContact CE2-CB 3.87Å; F518-F524 AromaticContact CE2-CD1 3.42Å; F518-F524 HydrophobicContact CE2-CD1 3.42Å; F518-F524 VanDerWaalsContact CE2-CD1 3.42Å; F518-F524 HydrophobicContact CE2-CD2 4.47Å; F518-F524 AromaticContact CE2-CE1 3.99Å; F518-F524 HydrophobicContact CE2-CE1 3.99Å; F518-F524 AromaticContact CE2-CG 3.69Å; F518-F524 HydrophobicContact CE2-CG 3.69Å; S521-F524 PolarHBondContact O-N 2.92Å; S521-F524 VanDerWaalsContact O-N 3.09Å; E522-F524 VanDerWaalsContact C-N 3.35Å; E522-F524 PolarHBondContact O-N 2.74Å; F524-A526 VanDerWaalsContact C-N 3.35Å; F524-A526 PolarHBondContact O-N 3.27Å; F524-A527 CarbonylContact O-C 3.6Å; F524-A527 WeakPolarHBondContact O-CB 3.35Å; F524-A527 PolarHBondContact O-N 3.35Å; F524-I528 WeakPolarHBondContact O-CB 3.3Å; F524-I528 VanDerWaalsContact O-CG1 3.25Å; F524-I528 WeakPolarHBondContact O-CG1 3.36Å; F524-I528 PolarHBondContact O-N 2.86Å |
| 525 | I | 89.3 | Confident | 87.2 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 173.2 | -67.8 | 163.4 | 0 | 0 | 0 | 110.5 | S521 E522 A527 I528 K529 H565 | S521-I525 WeakPolarHBondContact O-CG1 3.4Å; S521-I525 PolarHBondContact O-N 2.74Å; E522-I525 PolarHBondContact O-N 3.28Å; I525-A527 VanDerWaalsContact C-N 3.34Å; I525-A527 PolarHBondContact O-N 2.91Å; I525-I528 PolarHBondContact O-N 3.46Å; I525-K529 WeakPolarHBondContact O-CG 3.47Å; I525-K529 PolarHBondContact O-N 3.15Å; I525-H565 HydrophobicContact CG2-CB 3.68Å |
| 526 | A | 86.5 | Confident | 87.6 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E522 F524 I528 K529 Q530 | E522-A526 VanDerWaalsContact O-CB 3.24Å; E522-A526 WeakPolarHBondContact O-CB 3.25Å; E522-A526 PolarHBondContact O-N 3.03Å; F524-A526 VanDerWaalsContact C-N 3.35Å; F524-A526 PolarHBondContact O-N 3.27Å; A526-I528 VanDerWaalsContact C-N 3.34Å; A526-I528 PolarHBondContact O-N 3.38Å; A526-K529 PolarHBondContact O-N 3.21Å; A526-Q530 VanDerWaalsContact O-CB 3.3Å; A526-Q530 WeakPolarHBondContact O-CB 3.24Å; A526-Q530 PolarHBondContact O-N 2.95Å |
| 527 | A | 87.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | F470 F473 I523 F524 I525 Y531 L532 | F470-A527 HydrophobicContact CD2-CB 4.29Å; F470-A527 HydrophobicContact CE2-CB 3.75Å; F473-A527 HydrophobicContact CD1-CB 4Å; F473-A527 HydrophobicContact CE1-CB 3.79Å; I523-A527 WeakPolarHBondContact O-CB 3.48Å; I523-A527 PolarHBondContact O-N 3.3Å; F524-A527 CarbonylContact O-C 3.6Å; F524-A527 WeakPolarHBondContact O-CB 3.35Å; F524-A527 PolarHBondContact O-N 3.35Å; I525-A527 VanDerWaalsContact C-N 3.34Å; I525-A527 PolarHBondContact O-N 2.91Å; A527-Y531 HydrophobicContact CB-CD2 4.02Å; A527-Y531 HydrophobicContact CB-CE2 4.42Å; A527-Y531 WeakPolarHBondContact O-CB 3.24Å; A527-Y531 WeakPolarHBondContact O-CD2 3.35Å; A527-Y531 PolarHBondContact O-N 3.4Å; A527-L532 PolarHBondContact O-N 3.41Å |
| 528 | I | 92.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -62.3 | -49.6 | 175.4 | -73.5 | 164.8 | 0 | 0 | 0 | 109.3 | F473 F524 I525 A526 L532 C533 L558 F562 L566 | F473-I528 HydrophobicContact CE1-CG1 4.18Å; F473-I528 HydrophobicContact CZ-CG1 3.75Å; F524-I528 WeakPolarHBondContact O-CB 3.3Å; F524-I528 VanDerWaalsContact O-CG1 3.25Å; F524-I528 WeakPolarHBondContact O-CG1 3.36Å; F524-I528 PolarHBondContact O-N 2.86Å; I525-I528 PolarHBondContact O-N 3.46Å; A526-I528 VanDerWaalsContact C-N 3.34Å; A526-I528 PolarHBondContact O-N 3.38Å; I528-L532 HydrophobicContact CG1-CD2 4.43Å; I528-L532 HydrophobicContact CG2-CB 4.47Å; I528-L532 HydrophobicContact CG2-CD2 4.38Å; I528-L532 WeakPolarHBondContact O-CA 3.49Å; I528-L532 WeakPolarHBondContact O-CB 3.42Å; I528-L532 PolarHBondContact O-N 3.37Å; I528-C533 PolarHBondContact O-N 2.9Å; I528-C533 PolarHBondContact O-SG 2.91Å; I528-L558 HydrophobicContact CD1-CD2 4.38Å; I528-L558 HydrophobicContact CG2-CD1 4.31Å; I528-L558 HydrophobicContact CG2-CD2 3.8Å; I528-F562 HydrophobicContact CD1-CD1 3.59Å; I528-F562 HydrophobicContact CD1-CD2 4.41Å; I528-F562 HydrophobicContact CD1-CE1 3.36Å; I528-F562 HydrophobicContact CD1-CE2 4.25Å; I528-F562 HydrophobicContact CD1-CG 4.11Å; I528-F562 HydrophobicContact CD1-CZ 3.73Å; I528-L566 HydrophobicContact CG2-CD1 4.16Å; I528-L566 HydrophobicContact CG2-CD2 4.06Å |
| 529 | K | 89.2 | Confident | 87.8 | Confident | 80 Ų | 80 | 43 Ų | 43 | 35% | 0.348 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -59.6 | -49.9 | 177.7 | -70.3 | 176.3 | 179 | -174.9 | 0 | 112.2 | I525 A526 H565 L566 | I525-K529 WeakPolarHBondContact O-CG 3.47Å; I525-K529 PolarHBondContact O-N 3.15Å; A526-K529 PolarHBondContact O-N 3.21Å; K529-H565 WeakPolarHBondContact CE-O 3.45Å; K529-H565 PolarHBondContact NZ-O 3.38Å; K529-L566 HydrophobicContact CG-CD2 3.68Å |
| 530 | Q | 87.4 | Confident | 87.9 | Confident | 112 Ų | 112 | 41.6 Ų | 41.6 | 52% | 0.523 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -77.1 | -37.9 | -171.4 | -170.2 | -179.4 | 23 | 0 | 0 | 113.3 | A526 V534 | A526-Q530 VanDerWaalsContact O-CB 3.3Å; A526-Q530 WeakPolarHBondContact O-CB 3.24Å; A526-Q530 PolarHBondContact O-N 2.95Å; Q530-V534 VanDerWaalsContact O-CG2 3.24Å; Q530-V534 WeakPolarHBondContact O-CG2 3.44Å |
| 531 | Y | 91.2 | Very high | 88 | Confident | 56 Ų | 56 | 42.2 Ų | 42.2 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -110.5 | -48.1 | -172.8 | -55 | -67.7 | 0 | 0 | 0 | 113 | R474 A527 A535 | R474-Y531 HydrophobicContact CG-CD1 4.49Å; R474-Y531 HydrophobicContact CG-CD2 4.2Å; R474-Y531 HydrophobicContact CG-CE1 4.29Å; R474-Y531 HydrophobicContact CG-CE2 4.03Å; R474-Y531 HydrophobicContact CG-CG 4.45Å; A527-Y531 HydrophobicContact CB-CD2 4.02Å; A527-Y531 HydrophobicContact CB-CE2 4.42Å; A527-Y531 WeakPolarHBondContact O-CB 3.24Å; A527-Y531 WeakPolarHBondContact O-CD2 3.35Å; A527-Y531 PolarHBondContact O-N 3.4Å; Y531-A535 WeakPolarHBondContact O-CB 3.14Å; Y531-A535 PolarHBondContact O-N 3.43Å |
| 532 | L | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -75.7 | -51.1 | -172.3 | -177.5 | 60.1 | 0 | 0 | 0 | 111.7 | F473 L507 L511 A527 I528 V534 A535 L536 I554 L558 | F473-L532 HydrophobicContact CZ-CB 4.23Å; F473-L532 HydrophobicContact CZ-CD2 4.16Å; L507-L532 HydrophobicContact CD1-CD1 3.95Å; L511-L532 HydrophobicContact CD1-CD2 3.5Å; A527-L532 PolarHBondContact O-N 3.41Å; I528-L532 HydrophobicContact CG1-CD2 4.43Å; I528-L532 HydrophobicContact CG2-CB 4.47Å; I528-L532 HydrophobicContact CG2-CD2 4.38Å; I528-L532 WeakPolarHBondContact O-CA 3.49Å; I528-L532 WeakPolarHBondContact O-CB 3.42Å; I528-L532 PolarHBondContact O-N 3.37Å; L532-V534 VanDerWaalsContact C-N 3.28Å; L532-V534 PolarHBondContact O-N 3.47Å; L532-A535 WeakPolarHBondContact O-CA 3.4Å; L532-A535 VanDerWaalsContact O-CB 3.32Å; L532-A535 WeakPolarHBondContact O-CB 3.48Å; L532-A535 PolarHBondContact O-N 3.09Å; L532-L536 HydrophobicContact CD1-CD2 4.46Å; L532-L536 HydrophobicContact CD1-CG 4.29Å; L532-L536 HydrophobicContact CG-CD1 4.22Å; L532-L536 HydrophobicContact CG-CG 4.35Å; L532-L536 WeakPolarHBondContact O-CG 3.11Å; L532-L536 PolarHBondContact O-N 3.48Å; L532-I554 HydrophobicContact CD1-CG2 4.26Å; L532-I554 HydrophobicContact CD2-CG2 4.11Å; L532-I554 HydrophobicContact CG-CG2 4.47Å; L532-L558 HydrophobicContact CD2-CD1 3.94Å; L532-L558 HydrophobicContact CD2-CD2 4.02Å; L532-L558 HydrophobicContact CD2-CG 4.36Å; L532-L558 HydrophobicContact CG-CD1 4.37Å |
| 533 | C | 91.3 | Very high | 87.9 | Confident | 8 Ų | 8 | 38 Ų | 38 | 5% | 0.054 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -56.8 | -44.3 | 179.4 | -68.1 | 0 | 0 | 0 | 0 | 111 | I528 A535 L536 F537 Q569 | I528-C533 PolarHBondContact O-N 2.9Å; I528-C533 PolarHBondContact O-SG 2.91Å; C533-A535 VanDerWaalsContact C-N 3.31Å; C533-A535 PolarHBondContact O-N 2.99Å; C533-L536 PolarHBondContact O-N 3.49Å; C533-L536 VanDerWaalsContact O-N 3.09Å; C533-F537 HydrophobicContact CB-CD2 4.44Å; C533-F537 HydrophobicContact CB-CE2 4.22Å; C533-F537 WeakPolarHBondContact O-CD2 3.46Å; C533-F537 PolarHBondContact O-N 2.67Å; C533-Q569 HydrophobicContact CB-CG 4.18Å |
| 534 | V | 87.6 | Confident | 87.9 | Confident | 69 Ų | 69 | 34.9 Ų | 34.9 | 42% | 0.418 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58 | -42.5 | 175 | 180 | 0 | 0 | 0 | 0 | 111.8 | Q530 L532 K538 | Q530-V534 VanDerWaalsContact O-CG2 3.24Å; Q530-V534 WeakPolarHBondContact O-CG2 3.44Å; L532-V534 VanDerWaalsContact C-N 3.28Å; L532-V534 PolarHBondContact O-N 3.47Å; V534-K538 PolarHBondContact O-N 3.08Å |
| 535 | A | 88.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A480 V481 Y531 L532 C533 K538 N539 | A480-A535 HydrophobicContact CB-CB 4.02Å; V481-A535 HydrophobicContact CG2-CB 3.56Å; Y531-A535 WeakPolarHBondContact O-CB 3.14Å; Y531-A535 PolarHBondContact O-N 3.43Å; L532-A535 WeakPolarHBondContact O-CA 3.4Å; L532-A535 VanDerWaalsContact O-CB 3.32Å; L532-A535 WeakPolarHBondContact O-CB 3.48Å; L532-A535 PolarHBondContact O-N 3.09Å; C533-A535 VanDerWaalsContact C-N 3.31Å; C533-A535 PolarHBondContact O-N 2.99Å; A535-K538 PolarHBondContact O-N 3.31Å; A535-N539 VanDerWaalsContact O-CB 3.28Å; A535-N539 WeakPolarHBondContact O-CB 3.28Å; A535-N539 PolarHBondContact O-N 3.15Å; A535-N539 PolarHBondContact O-ND2 3.36Å |
| 536 | L | 91.7 | Very high | 87.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 179.6 | -63.1 | 178.5 | 0 | 0 | 0 | 112.3 | L532 C533 K538 N539 G540 I554 F555 L558 F573 | L532-L536 HydrophobicContact CD1-CD2 4.46Å; L532-L536 HydrophobicContact CD1-CG 4.29Å; L532-L536 HydrophobicContact CG-CD1 4.22Å; L532-L536 HydrophobicContact CG-CG 4.35Å; L532-L536 WeakPolarHBondContact O-CG 3.11Å; L532-L536 PolarHBondContact O-N 3.48Å; C533-L536 PolarHBondContact O-N 3.49Å; C533-L536 VanDerWaalsContact O-N 3.09Å; L536-K538 PolarHBondContact O-N 3.21Å; L536-N539 PolarHBondContact O-N 2.88Å; L536-G540 WeakPolarHBondContact O-CA 3.36Å; L536-G540 PolarHBondContact O-N 3.01Å; L536-I554 HydrophobicContact CD1-CB 4.45Å; L536-I554 HydrophobicContact CD1-CG2 3.85Å; L536-I554 HydrophobicContact CD2-CB 3.84Å; L536-I554 HydrophobicContact CD2-CD1 4.07Å; L536-I554 HydrophobicContact CD2-CG2 3.83Å; L536-I554 HydrophobicContact CG-CG2 4.38Å; L536-F555 HydrophobicContact CD1-CB 4.46Å; L536-L558 HydrophobicContact CD1-CD1 3.56Å; L536-F573 HydrophobicContact CB-CE2 4.05Å |
| 537 | F | 87.9 | Confident | 88 | Confident | 47 Ų | 47 | 38.6 Ų | 38.6 | 21% | 0.206 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.1 | -48.2 | 176.4 | -81.4 | -63.9 | 0 | 0 | 0 | 112.1 | C533 N539 G540 Q569 V572 F573 V577 | C533-F537 HydrophobicContact CB-CD2 4.44Å; C533-F537 HydrophobicContact CB-CE2 4.22Å; C533-F537 WeakPolarHBondContact O-CD2 3.46Å; C533-F537 PolarHBondContact O-N 2.67Å; F537-N539 PolarHBondContact O-N 2.91Å; F537-G540 PolarHBondContact O-N 3.32Å; F537-Q569 WeakPolarHBondContact CZ-O 3.33Å; F537-V572 HydrophobicContact CD1-CG1 4.09Å; F537-V572 HydrophobicContact CE1-CB 3.74Å; F537-V572 HydrophobicContact CE1-CG1 3.33Å; F537-V572 HydrophobicContact CE2-CG1 4.49Å; F537-V572 HydrophobicContact CZ-CB 3.59Å; F537-V572 HydrophobicContact CZ-CG1 3.59Å; F537-F573 HydrophobicContact CD1-CD2 4.14Å; F537-F573 VanDerWaalsContact CE1-CA 3.49Å; F537-F573 HydrophobicContact CE1-CB 3.81Å; F537-F573 AromaticContact CE1-CD2 3.88Å; F537-F573 HydrophobicContact CE1-CD2 3.88Å; F537-F573 HydrophobicContact CE1-CG 4.32Å; F537-F573 VanDerWaalsContact CE1-N 3.35Å; F537-F573 HydrophobicContact CZ-CB 3.92Å; F537-F573 HydrophobicContact CZ-CD2 4.27Å; F537-V577 HydrophobicContact CD1-CG2 4.07Å; F537-V577 HydrophobicContact CE1-CG2 4.41Å |
| 538 | K | 84.3 | Confident | 88.2 | Confident | 69 Ų | 69 | 38.5 Ų | 38.5 | 30% | 0.3 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64 | -43.5 | -179.9 | -164.5 | 172.1 | -172.1 | -177.9 | 0 | 111.8 | V481 D483 V534 A535 L536 G540 T541 | V481-K538 HydrophobicContact CG1-CD 4.03Å; V481-K538 PolarHBondContact O-NZ 3.3Å; D483-K538 VanDerWaalsContact CG-CE 3.5Å; D483-K538 WeakPolarHBondContact OD1-CE 3.35Å; D483-K538 IonicContact OD1-NZ 3.11Å; D483-K538 PolarHBondContact OD1-NZ 2.99Å; D483-K538 IonicContact OD2-NZ 2.75Å; D483-K538 PolarHBondContact OD2-NZ 2.85Å; V534-K538 PolarHBondContact O-N 3.08Å; A535-K538 PolarHBondContact O-N 3.31Å; L536-K538 PolarHBondContact O-N 3.21Å; K538-G540 VanDerWaalsContact C-N 3.33Å; K538-T541 PolarHBondContact O-N 3Å; K538-T541 PolarHBondContact O-OG1 3.3Å |
| 539 | N | 87.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -74.7 | -23 | 179 | -65.7 | -28.4 | 0 | 0 | 0 | 112.9 | A480 K500 A535 L536 F537 T541 S542 I547 S551 | A480-N539 PolarHBondContact O-ND2 3.1Å; A480-N539 PolarHBondContact O-OD1 2.86Å; K500-N539 WeakPolarHBondContact CD-OD1 3.37Å; K500-N539 PolarHBondContact NZ-OD1 3.03Å; A535-N539 VanDerWaalsContact O-CB 3.28Å; A535-N539 WeakPolarHBondContact O-CB 3.28Å; A535-N539 PolarHBondContact O-N 3.15Å; A535-N539 PolarHBondContact O-ND2 3.36Å; L536-N539 PolarHBondContact O-N 2.88Å; F537-N539 PolarHBondContact O-N 2.91Å; N539-T541 PolarHBondContact O-N 3.07Å; N539-S542 WeakPolarHBondContact O-CB 2.78Å; N539-S542 PolarHBondContact O-N 3.43Å; N539-I547 HydrophobicContact CB-CG2 3.8Å; N539-S551 WeakPolarHBondContact CB-OG 2.77Å |
| 540 | G | 84.5 | Confident | 88.5 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -19.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | L536 F537 K538 F548 | L536-G540 WeakPolarHBondContact O-CA 3.36Å; L536-G540 PolarHBondContact O-N 3.01Å; F537-G540 PolarHBondContact O-N 3.32Å; K538-G540 VanDerWaalsContact C-N 3.33Å; G540-F548 WeakPolarHBondContact O-CD2 3.41Å; G540-F548 VanDerWaalsContact O-CE2 3.32Å; G540-F548 WeakPolarHBondContact O-CE2 3.31Å |
| 541 | T | 82.1 | Confident | 88.8 | Confident | 108 Ų | 108 | 35.3 Ų | 35.3 | 66% | 0.663 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 5.8 | 173.7 | 67.1 | 0 | 0 | 0 | 0 | 113.4 | K538 N539 | K538-T541 PolarHBondContact O-N 3Å; K538-T541 PolarHBondContact O-OG1 3.3Å; N539-T541 PolarHBondContact O-N 3.07Å |
| 542 | S | 84.5 | Confident | 89 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | trans | -66.9 | 137.3 | -178.2 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | N539 I544 H591 | N539-S542 WeakPolarHBondContact O-CB 2.78Å; N539-S542 PolarHBondContact O-N 3.43Å; S542-I544 PolarHBondContact O-N 2.81Å; S542-I544 PolarHBondContact OG-N 3.31Å; S542-H591 PolarHBondContact O-NE2 3.09Å; S542-H591 VanDerWaalsContact O-NE2 3.13Å | ||
| 543 | P | 82.2 | Confident | 89 | Confident | 80 Ų | 80 | 34.3 Ų | 34.3 | 52% | 0.519 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -73.6 | -9 | 171.4 | 30.9 | -35.1 | 0 | 0 | 0 | 113.1 | H591 | P543-H591 PolarHBondContact O-CE1 3.2Š|
| 544 | I | 86 | Confident | 89.2 | Confident | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.087 | 19% | 0.188 | C | C | . | . | trans | -92.5 | 111.4 | -177.2 | -59.3 | 175.9 | 0 | 0 | 0 | 109.2 | V497 S542 E546 I547 F548 | V497-I544 HydrophobicContact CB-CD1 4.49Å; V497-I544 HydrophobicContact CG1-CD1 4.32Å; V497-I544 HydrophobicContact CG1-CG2 4.35Å; V497-I544 HydrophobicContact CG2-CD1 3.34Å; S542-I544 PolarHBondContact O-N 2.81Å; S542-I544 PolarHBondContact OG-N 3.31Å; I544-E546 VanDerWaalsContact C-N 3.32Å; I544-E546 HydrophobicContact CG2-CB 4.47Å; I544-E546 PolarHBondContact O-N 3.1Å; I544-I547 HydrophobicContact CB-CD1 4.13Å; I544-I547 HydrophobicContact CD1-CD1 4.08Å; I544-I547 HydrophobicContact CG2-CD1 4.13Å; I544-I547 HydrophobicContact CG2-CG1 4.3Å; I544-I547 PolarHBondContact O-N 2.94Å; I544-I547 VanDerWaalsContact O-N 3.13Å; I544-F548 PolarHBondContact O-N 3.04Å; I544-F548 VanDerWaalsContact O-N 3.13Å | ||
| 545 | V | 89.3 | Confident | 89.5 | Confident | 56 Ų | 56 | 31.1 Ų | 31.1 | 34% | 0.339 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -53.9 | -42.4 | -174.8 | -179.6 | 0 | 0 | 0 | 0 | 112.8 | I547 F548 E549 I594 | V545-I547 PolarHBondContact O-N 3.23Å; V545-F548 WeakPolarHBondContact O-CB 3.47Å; V545-F548 PolarHBondContact O-N 3.06Å; V545-E549 WeakPolarHBondContact O-CB 3.16Å; V545-E549 PolarHBondContact O-N 2.91Å; V545-I594 HydrophobicContact CG1-CD1 3.43Å; V545-I594 VanDerWaalsContact CG1-CD1 3.43Å |
| 546 | E | 88.3 | Confident | 89.8 | Confident | 87 Ų | 87 | 32.3 Ų | 32.3 | 41% | 0.407 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.5 | -41 | -179.6 | -173.6 | -171.8 | 163 | 0 | 0 | 112.9 | S501 I544 L550 | S501-E546 WeakPolarHBondContact CB-OE1 3.43Å; S501-E546 PolarHBondContact OG-OE1 3.14Å; I544-E546 VanDerWaalsContact C-N 3.32Å; I544-E546 HydrophobicContact CG2-CB 4.47Å; I544-E546 PolarHBondContact O-N 3.1Å; E546-L550 HydrophobicContact CG-CD1 4.45Å; E546-L550 WeakPolarHBondContact O-CG 3.44Å; E546-L550 PolarHBondContact O-N 3.12Å; E546-L550 VanDerWaalsContact O-N 3.16Å |
| 547 | I | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | 178.6 | -72 | 165.1 | 0 | 0 | 0 | 109.7 | F484 V497 K500 L504 N539 I544 V545 S551 | F484-I547 HydrophobicContact CE2-CD1 4.22Å; F484-I547 HydrophobicContact CZ-CD1 3.72Å; V497-I547 HydrophobicContact CB-CD1 4.39Å; V497-I547 HydrophobicContact CG1-CD1 3.93Å; V497-I547 HydrophobicContact CG1-CG1 4.5Å; V497-I547 HydrophobicContact CG2-CD1 4.19Å; K500-I547 HydrophobicContact CD-CD1 3.98Å; K500-I547 HydrophobicContact CD-CG1 4.36Å; K500-I547 HydrophobicContact CD-CG2 3.97Å; K500-I547 HydrophobicContact CG-CD1 4.45Å; K500-I547 HydrophobicContact CG-CG1 4.5Å; L504-I547 HydrophobicContact CD1-CG2 4.07Å; N539-I547 HydrophobicContact CB-CG2 3.8Å; I544-I547 HydrophobicContact CB-CD1 4.13Å; I544-I547 HydrophobicContact CD1-CD1 4.08Å; I544-I547 HydrophobicContact CG2-CD1 4.13Å; I544-I547 HydrophobicContact CG2-CG1 4.3Å; I544-I547 PolarHBondContact O-N 2.94Å; I544-I547 VanDerWaalsContact O-N 3.13Å; V545-I547 PolarHBondContact O-N 3.23Å; I547-S551 WeakPolarHBondContact O-CB 3.47Å; I547-S551 PolarHBondContact O-N 2.78Å; I547-S551 PolarHBondContact O-OG 3.16Å |
| 548 | F | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -48.2 | 176.6 | 178.5 | -104.3 | 0 | 0 | 0 | 111.5 | G540 I544 V545 L550 S551 V552 V577 I581 H591 I594 V595 | G540-F548 WeakPolarHBondContact O-CD2 3.41Å; G540-F548 VanDerWaalsContact O-CE2 3.32Å; G540-F548 WeakPolarHBondContact O-CE2 3.31Å; I544-F548 PolarHBondContact O-N 3.04Å; I544-F548 VanDerWaalsContact O-N 3.13Å; V545-F548 WeakPolarHBondContact O-CB 3.47Å; V545-F548 PolarHBondContact O-N 3.06Å; F548-L550 PolarHBondContact O-N 3.06Å; F548-S551 WeakPolarHBondContact O-CB 3.36Å; F548-S551 PolarHBondContact O-N 3.41Å; F548-V552 HydrophobicContact CD1-CG2 4.27Å; F548-V552 HydrophobicContact CD2-CG2 4.4Å; F548-V552 HydrophobicContact CE1-CG2 3.81Å; F548-V552 HydrophobicContact CE2-CG2 3.92Å; F548-V552 HydrophobicContact CZ-CG2 3.61Å; F548-V552 WeakPolarHBondContact O-CG2 3.01Å; F548-V552 PolarHBondContact O-N 3.31Å; F548-V577 HydrophobicContact CE2-CG1 3.92Å; F548-I581 HydrophobicContact CD2-CD1 4.23Å; F548-I581 HydrophobicContact CE1-CD1 4.48Å; F548-I581 HydrophobicContact CE2-CD1 3.27Å; F548-I581 HydrophobicContact CZ-CD1 3.42Å; F548-I581 VanDerWaalsContact CZ-CD1 3.42Å; F548-H591 HydrophobicContact CD1-CB 4.41Å; F548-H591 AromaticContact CD1-CD2 3.47Å; F548-H591 VanDerWaalsContact CD1-CD2 3.47Å; F548-H591 WeakPolarHBondContact CD1-CD2 3.24Å; F548-H591 HydrophobicContact CE1-CB 4.25Å; F548-H591 AromaticContact CG-CD2 3.46Å; F548-H591 VanDerWaalsContact CG-CD2 3.46Å; F548-H591 WeakPolarHBondContact CG-CD2 3.29Å; F548-I594 HydrophobicContact CD1-CB 4.23Å; F548-I594 HydrophobicContact CD1-CD1 4Å; F548-I594 HydrophobicContact CD1-CG2 3.94Å; F548-I594 HydrophobicContact CE1-CB 3.99Å; F548-I594 HydrophobicContact CE1-CG2 3.72Å; F548-V595 HydrophobicContact CE1-CG2 3.93Å; F548-V595 HydrophobicContact CZ-CG2 3.63Å |
| 549 | E | 94.4 | Very high | 90.4 | Very high | 104 Ų | 104 | 27.6 Ų | 27.6 | 49% | 0.486 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -55.9 | -49.4 | 178.5 | -168 | -178.9 | 165.9 | 0 | 0 | 112.3 | V545 S551 V552 A553 I594 | V545-E549 WeakPolarHBondContact O-CB 3.16Å; V545-E549 PolarHBondContact O-N 2.91Å; E549-S551 VanDerWaalsContact C-N 3.27Å; E549-S551 PolarHBondContact O-N 3.37Å; E549-V552 PolarHBondContact O-N 2.8Å; E549-A553 WeakPolarHBondContact O-CB 3.48Å; E549-A553 PolarHBondContact O-N 3.24Å; E549-I594 HydrophobicContact CB-CD1 3.7Å; E549-I594 HydrophobicContact CB-CG1 4.42Å; E549-I594 HydrophobicContact CG-CD1 4.01Å; E549-I594 HydrophobicContact CG-CG1 4.22Å; E549-I594 HydrophobicContact CG-CG2 4.42Å |
| 550 | L | 92.9 | Very high | 90.4 | Very high | 22 Ų | 22 | 31 Ų | 31 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | 176.7 | -71.2 | 169.1 | 0 | 0 | 0 | 111.9 | L504 Q505 L508 E546 F548 A553 I554 | L504-L550 HydrophobicContact CB-CB 3.92Å; L504-L550 HydrophobicContact CB-CD1 4.11Å; L504-L550 HydrophobicContact CD1-CB 4.13Å; Q505-L550 HydrophobicContact CG-CD1 3.93Å; Q505-L550 HydrophobicContact CG-CD2 3.67Å; Q505-L550 HydrophobicContact CG-CG 4.49Å; L508-L550 HydrophobicContact CD2-CD2 4.36Å; E546-L550 HydrophobicContact CG-CD1 4.45Å; E546-L550 WeakPolarHBondContact O-CG 3.44Å; E546-L550 PolarHBondContact O-N 3.12Å; E546-L550 VanDerWaalsContact O-N 3.16Å; F548-L550 PolarHBondContact O-N 3.06Å; L550-A553 PolarHBondContact O-N 3.34Å; L550-I554 WeakPolarHBondContact O-CD1 3.38Å; L550-I554 VanDerWaalsContact O-CG1 3.23Å; L550-I554 WeakPolarHBondContact O-CG1 3.38Å; L550-I554 PolarHBondContact O-N 3.23Å |
| 551 | S | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 178.2 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | N539 I547 F548 E549 I554 F555 | N539-S551 WeakPolarHBondContact CB-OG 2.77Å; I547-S551 WeakPolarHBondContact O-CB 3.47Å; I547-S551 PolarHBondContact O-N 2.78Å; I547-S551 PolarHBondContact O-OG 3.16Å; F548-S551 WeakPolarHBondContact O-CB 3.36Å; F548-S551 PolarHBondContact O-N 3.41Å; E549-S551 VanDerWaalsContact C-N 3.27Å; E549-S551 PolarHBondContact O-N 3.37Å; S551-I554 PolarHBondContact O-N 2.86Å; S551-F555 PolarHBondContact O-N 3.41Å |
| 552 | V | 94.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.2 | 175 | 0 | 0 | 0 | 0 | 111 | F548 E549 I554 F555 L556 L578 I594 A598 | F548-V552 HydrophobicContact CD1-CG2 4.27Å; F548-V552 HydrophobicContact CD2-CG2 4.4Å; F548-V552 HydrophobicContact CE1-CG2 3.81Å; F548-V552 HydrophobicContact CE2-CG2 3.92Å; F548-V552 HydrophobicContact CZ-CG2 3.61Å; F548-V552 WeakPolarHBondContact O-CG2 3.01Å; F548-V552 PolarHBondContact O-N 3.31Å; E549-V552 PolarHBondContact O-N 2.8Å; V552-I554 VanDerWaalsContact C-N 3.34Å; V552-I554 PolarHBondContact O-N 3.43Å; V552-F555 WeakPolarHBondContact O-CB 3.46Å; V552-F555 PolarHBondContact O-N 3.02Å; V552-L556 HydrophobicContact CG1-CD1 4.35Å; V552-L556 WeakPolarHBondContact O-CG 3.49Å; V552-L556 PolarHBondContact O-N 3.45Å; V552-L578 HydrophobicContact CG2-CD2 4.31Å; V552-I594 HydrophobicContact CB-CG2 4.11Å; V552-I594 HydrophobicContact CG1-CG2 4.21Å; V552-I594 HydrophobicContact CG2-CG2 4.17Å; V552-A598 HydrophobicContact CG1-CB 3.42Å; V552-A598 VanDerWaalsContact CG1-CB 3.42Å |
| 553 | A | 95 | Very high | 91.3 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L508 E549 L550 L556 A557 | L508-A553 HydrophobicContact CD1-CB 4.11Å; L508-A553 HydrophobicContact CD2-CB 3.91Å; E549-A553 WeakPolarHBondContact O-CB 3.48Å; E549-A553 PolarHBondContact O-N 3.24Å; L550-A553 PolarHBondContact O-N 3.34Å; A553-L556 PolarHBondContact O-N 3.13Å; A553-A557 PolarHBondContact O-N 3.18Å; A553-A557 VanDerWaalsContact O-N 3.15Å |
| 554 | I | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 173.9 | -67.1 | 164 | 0 | 0 | 0 | 110.5 | L504 L507 L508 L511 L532 L536 L550 S551 V552 L556 A557 L558 | L504-I554 HydrophobicContact CB-CD1 3.98Å; L504-I554 HydrophobicContact CD2-CD1 3.57Å; L504-I554 HydrophobicContact CG-CD1 4.38Å; L504-I554 WeakPolarHBondContact O-CD1 3.21Å; L507-I554 HydrophobicContact CB-CD1 4.21Å; L508-I554 HydrophobicContact CB-CD1 4.46Å; L508-I554 HydrophobicContact CB-CG1 3.77Å; L508-I554 HydrophobicContact CD1-CG1 3.97Å; L508-I554 HydrophobicContact CG-CG1 4.41Å; L511-I554 HydrophobicContact CD1-CG2 3.59Å; L532-I554 HydrophobicContact CD1-CG2 4.26Å; L532-I554 HydrophobicContact CD2-CG2 4.11Å; L532-I554 HydrophobicContact CG-CG2 4.47Å; L536-I554 HydrophobicContact CD1-CB 4.45Å; L536-I554 HydrophobicContact CD1-CG2 3.85Å; L536-I554 HydrophobicContact CD2-CB 3.84Å; L536-I554 HydrophobicContact CD2-CD1 4.07Å; L536-I554 HydrophobicContact CD2-CG2 3.83Å; L536-I554 HydrophobicContact CG-CG2 4.38Å; L550-I554 WeakPolarHBondContact O-CD1 3.38Å; L550-I554 VanDerWaalsContact O-CG1 3.23Å; L550-I554 WeakPolarHBondContact O-CG1 3.38Å; L550-I554 PolarHBondContact O-N 3.23Å; S551-I554 PolarHBondContact O-N 2.86Å; V552-I554 VanDerWaalsContact C-N 3.34Å; V552-I554 PolarHBondContact O-N 3.43Å; I554-L556 VanDerWaalsContact C-N 3.29Å; I554-L556 PolarHBondContact O-N 2.89Å; I554-A557 WeakPolarHBondContact O-CB 3.39Å; I554-A557 PolarHBondContact O-N 3.46Å; I554-A557 VanDerWaalsContact O-N 3.1Å; I554-L558 HydrophobicContact CG2-CD1 4.4Å; I554-L558 HydrophobicContact CG2-CG 4.45Å; I554-L558 WeakPolarHBondContact O-CG 3.46Å; I554-L558 PolarHBondContact O-N 3.29Å |
| 555 | F | 94.3 | Very high | 91.5 | Very high | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.044 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.8 | -42.3 | 176.1 | 173.8 | -101.7 | 0 | 0 | 0 | 111.9 | L536 S551 V552 A557 L558 L559 I570 F573 F574 L578 | L536-F555 HydrophobicContact CD1-CB 4.46Å; S551-F555 PolarHBondContact O-N 3.41Å; V552-F555 WeakPolarHBondContact O-CB 3.46Å; V552-F555 PolarHBondContact O-N 3.02Å; F555-A557 VanDerWaalsContact C-N 3.32Å; F555-A557 PolarHBondContact O-N 3.26Å; F555-L558 WeakPolarHBondContact O-CB 3.47Å; F555-L558 PolarHBondContact O-N 3.4Å; F555-L558 VanDerWaalsContact O-N 3.15Å; F555-L559 HydrophobicContact CE1-CD2 4.48Å; F555-L559 PolarHBondContact O-N 3.38Å; F555-I570 HydrophobicContact CE2-CG1 4.29Å; F555-I570 HydrophobicContact CZ-CG2 4.47Å; F555-F573 HydrophobicContact CB-CD1 4.24Å; F555-F573 HydrophobicContact CB-CE1 3.66Å; F555-F573 HydrophobicContact CB-CE2 4.36Å; F555-F573 HydrophobicContact CB-CZ 3.73Å; F555-F573 AromaticContact CD1-CD1 3.5Å; F555-F573 HydrophobicContact CD1-CD1 3.5Å; F555-F573 VanDerWaalsContact CD1-CD1 3.5Å; F555-F573 AromaticContact CD1-CE1 3.42Å; F555-F573 HydrophobicContact CD1-CE1 3.42Å; F555-F573 VanDerWaalsContact CD1-CE1 3.42Å; F555-F573 HydrophobicContact CD1-CG 4.48Å; F555-F573 HydrophobicContact CD1-CZ 4.35Å; F555-F573 HydrophobicContact CD2-CB 4.09Å; F555-F573 AromaticContact CD2-CD1 3.42Å; F555-F573 HydrophobicContact CD2-CD1 3.42Å; F555-F573 VanDerWaalsContact CD2-CD1 3.42Å; F555-F573 HydrophobicContact CD2-CD2 4.08Å; F555-F573 AromaticContact CD2-CE1 3.77Å; F555-F573 HydrophobicContact CD2-CE1 3.77Å; F555-F573 HydrophobicContact CD2-CE2 4.39Å; F555-F573 AromaticContact CD2-CG 3.59Å; F555-F573 HydrophobicContact CD2-CG 3.59Å; F555-F573 HydrophobicContact CD2-CZ 4.24Å; F555-F573 AromaticContact CE1-CD1 3.56Å; F555-F573 HydrophobicContact CE1-CD1 3.56Å; F555-F573 AromaticContact CE1-CE1 3.96Å; F555-F573 HydrophobicContact CE1-CE1 3.96Å; F555-F573 HydrophobicContact CE1-CG 4.49Å; F555-F573 HydrophobicContact CE2-CB 3.62Å; F555-F573 AromaticContact CE2-CD1 3.49Å; F555-F573 HydrophobicContact CE2-CD1 3.49Å; F555-F573 VanDerWaalsContact CE2-CD1 3.49Å; F555-F573 HydrophobicContact CE2-CD2 4.48Å; F555-F573 HydrophobicContact CE2-CE1 4.27Å; F555-F573 AromaticContact CE2-CG 3.61Å; F555-F573 HydrophobicContact CE2-CG 3.61Å; F555-F573 AromaticContact CG-CD1 3.42Å; F555-F573 HydrophobicContact CG-CD1 3.42Å; F555-F573 VanDerWaalsContact CG-CD1 3.42Å; F555-F573 AromaticContact CG-CE1 3.3Å; F555-F573 HydrophobicContact CG-CE1 3.3Å; F555-F573 HydrophobicContact CG-CE2 4.42Å; F555-F573 HydrophobicContact CG-CG 4.04Å; F555-F573 AromaticContact CG-CZ 3.85Å; F555-F573 HydrophobicContact CG-CZ 3.85Å; F555-F573 HydrophobicContact CZ-CB 4.06Å; F555-F573 AromaticContact CZ-CD1 3.56Å; F555-F573 HydrophobicContact CZ-CD1 3.56Å; F555-F573 HydrophobicContact CZ-CE1 4.35Å; F555-F573 HydrophobicContact CZ-CG 4.08Å; F555-F574 HydrophobicContact CE1-CD2 4.39Å; F555-F574 AromaticContact CE1-CE2 4Å; F555-F574 HydrophobicContact CE1-CE2 4Å; F555-F574 AromaticContact CZ-CD2 3.94Å; F555-F574 HydrophobicContact CZ-CD2 3.94Å; F555-F574 AromaticContact CZ-CE2 3.79Å; F555-F574 HydrophobicContact CZ-CE2 3.79Å; F555-L578 HydrophobicContact CD1-CD1 4.46Å; F555-L578 HydrophobicContact CE1-CD1 4Å |
| 556 | L | 93.9 | Very high | 91.6 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 175 | -69.7 | 170 | 0 | 0 | 0 | 112 | V552 A553 I554 L559 T560 A598 I602 | V552-L556 HydrophobicContact CG1-CD1 4.35Å; V552-L556 WeakPolarHBondContact O-CG 3.49Å; V552-L556 PolarHBondContact O-N 3.45Å; A553-L556 PolarHBondContact O-N 3.13Å; I554-L556 VanDerWaalsContact C-N 3.29Å; I554-L556 PolarHBondContact O-N 2.89Å; L556-L559 PolarHBondContact O-N 3.5Å; L556-T560 PolarHBondContact O-N 3.41Å; L556-T560 PolarHBondContact O-OG1 3.26Å; L556-T560 VanDerWaalsContact O-OG1 3.08Å; L556-A598 HydrophobicContact CD1-CB 3.89Å; L556-A598 HydrophobicContact CD2-CB 4.25Å; L556-A598 HydrophobicContact CG-CB 4.38Å; L556-I602 HydrophobicContact CD2-CD1 3.73Å; L556-I602 HydrophobicContact CD2-CG1 3.62Å |
| 557 | A | 91.8 | Very high | 91.6 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L508 L511 A553 I554 F555 L559 T560 Y561 | L508-A557 HydrophobicContact CD1-CB 4.46Å; L511-A557 HydrophobicContact CB-CB 3.93Å; A553-A557 PolarHBondContact O-N 3.18Å; A553-A557 VanDerWaalsContact O-N 3.15Å; I554-A557 WeakPolarHBondContact O-CB 3.39Å; I554-A557 PolarHBondContact O-N 3.46Å; I554-A557 VanDerWaalsContact O-N 3.1Å; F555-A557 VanDerWaalsContact C-N 3.32Å; F555-A557 PolarHBondContact O-N 3.26Å; A557-L559 VanDerWaalsContact C-N 3.35Å; A557-T560 PolarHBondContact O-N 3.01Å; A557-Y561 VanDerWaalsContact O-CD2 3.28Å; A557-Y561 WeakPolarHBondContact O-CD2 3.47Å; A557-Y561 PolarHBondContact O-N 2.94Å; A557-Y561 VanDerWaalsContact O-N 3.07Å |
| 558 | L | 93.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -39.1 | 173.8 | -68.4 | 177.5 | 0 | 0 | 0 | 112.3 | L511 I528 L532 L536 I554 F555 T560 F562 K563 L566 | L511-L558 HydrophobicContact CD1-CD2 4.15Å; L511-L558 HydrophobicContact CD1-CG 4.5Å; L511-L558 HydrophobicContact CD2-CD2 3.86Å; I528-L558 HydrophobicContact CD1-CD2 4.38Å; I528-L558 HydrophobicContact CG2-CD1 4.31Å; I528-L558 HydrophobicContact CG2-CD2 3.8Å; L532-L558 HydrophobicContact CD2-CD1 3.94Å; L532-L558 HydrophobicContact CD2-CD2 4.02Å; L532-L558 HydrophobicContact CD2-CG 4.36Å; L532-L558 HydrophobicContact CG-CD1 4.37Å; L536-L558 HydrophobicContact CD1-CD1 3.56Å; I554-L558 HydrophobicContact CG2-CD1 4.4Å; I554-L558 HydrophobicContact CG2-CG 4.45Å; I554-L558 WeakPolarHBondContact O-CG 3.46Å; I554-L558 PolarHBondContact O-N 3.29Å; F555-L558 WeakPolarHBondContact O-CB 3.47Å; F555-L558 PolarHBondContact O-N 3.4Å; F555-L558 VanDerWaalsContact O-N 3.15Å; L558-T560 VanDerWaalsContact C-N 3.32Å; L558-F562 HydrophobicContact CD2-CB 4.36Å; L558-F562 HydrophobicContact CD2-CD2 3.88Å; L558-F562 HydrophobicContact CD2-CG 4.25Å; L558-F562 CarbonylContact O-C 3.49Å; L558-F562 VanDerWaalsContact O-CA 3.31Å; L558-F562 WeakPolarHBondContact O-CA 3.35Å; L558-F562 WeakPolarHBondContact O-CB 3.37Å; L558-F562 PolarHBondContact O-N 3.14Å; L558-K563 PolarHBondContact O-N 2.79Å; L558-L566 HydrophobicContact CB-CD1 3.92Å; L558-L566 HydrophobicContact CD1-CD1 4.31Å; L558-L566 HydrophobicContact CD2-CD1 4.29Å; L558-L566 HydrophobicContact CG-CD1 4.42Å |
| 559 | L | 91 | Very high | 91.3 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.6 | -33.2 | 176.8 | -170 | 66.9 | 0 | 0 | 0 | 111.9 | F555 L556 A557 K563 I570 I602 | F555-L559 HydrophobicContact CE1-CD2 4.48Å; F555-L559 PolarHBondContact O-N 3.38Å; L556-L559 PolarHBondContact O-N 3.5Å; A557-L559 VanDerWaalsContact C-N 3.35Å; L559-K563 HydrophobicContact CD1-CB 4.29Å; L559-K563 HydrophobicContact CD1-CD 4.13Å; L559-K563 HydrophobicContact CD1-CG 4.16Å; L559-K563 WeakPolarHBondContact O-CB 3.32Å; L559-I570 HydrophobicContact CD1-CD1 3.78Å; L559-I570 HydrophobicContact CD1-CG1 4.2Å; L559-I570 HydrophobicContact CD1-CG2 4.35Å; L559-I602 HydrophobicContact CD2-CD1 4.13Å; L559-I602 HydrophobicContact CD2-CG1 3.78Å; L559-I602 HydrophobicContact CD2-CG2 4.43Å |
| 560 | T | 89.8 | Confident | 91.2 | Very high | 73 Ų | 73 | 28.6 Ų | 28.6 | 45% | 0.448 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -71.9 | -44.2 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | L556 A557 L558 | L556-T560 PolarHBondContact O-N 3.41Å; L556-T560 PolarHBondContact O-OG1 3.26Å; L556-T560 VanDerWaalsContact O-OG1 3.08Å; A557-T560 PolarHBondContact O-N 3.01Å; L558-T560 VanDerWaalsContact C-N 3.32Å |
| 561 | Y | 88 | Confident | 91.1 | Very high | 109 Ų | 109 | 28.7 Ų | 28.7 | 43% | 0.427 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -109.9 | -19.8 | -168.1 | -59.1 | -68 | 0 | 0 | 0 | 115.6 | L511 Q512 P514 A557 | L511-Y561 VanDerWaalsContact O-CD2 3.3Å; L511-Y561 WeakPolarHBondContact O-CD2 3.32Å; L511-Y561 WeakPolarHBondContact O-CE2 3.47Å; Q512-Y561 PolarHBondContact O-OH 3.1Å; P514-Y561 HydrophobicContact CG-CD1 3.9Å; P514-Y561 HydrophobicContact CG-CD2 3.79Å; P514-Y561 HydrophobicContact CG-CE2 4.41Å; P514-Y561 HydrophobicContact CG-CG 3.52Å; A557-Y561 VanDerWaalsContact O-CD2 3.28Å; A557-Y561 WeakPolarHBondContact O-CD2 3.47Å; A557-Y561 PolarHBondContact O-N 2.94Å; A557-Y561 VanDerWaalsContact O-N 3.07Å |
| 562 | F | 91.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -126 | 6.3 | -171.8 | -66.5 | -91.6 | 0 | 0 | 0 | 113.9 | L511 P514 F518 I528 L558 P564 H565 L566 | L511-F562 HydrophobicContact CD2-CD2 4.25Å; L511-F562 HydrophobicContact CD2-CE2 3.59Å; L511-F562 HydrophobicContact CD2-CZ 4.21Å; P514-F562 HydrophobicContact CB-CE2 4.11Å; P514-F562 HydrophobicContact CB-CZ 4.17Å; P514-F562 HydrophobicContact CG-CE2 4.19Å; F518-F562 AromaticContact CD1-CZ 3.9Å; F518-F562 HydrophobicContact CD1-CZ 3.9Å; F518-F562 HydrophobicContact CE1-CE2 4.42Å; F518-F562 AromaticContact CE1-CZ 3.89Å; F518-F562 HydrophobicContact CE1-CZ 3.89Å; F518-F562 WeakPolarHBondContact O-CE1 3.36Å; I528-F562 HydrophobicContact CD1-CD1 3.59Å; I528-F562 HydrophobicContact CD1-CD2 4.41Å; I528-F562 HydrophobicContact CD1-CE1 3.36Å; I528-F562 HydrophobicContact CD1-CE2 4.25Å; I528-F562 HydrophobicContact CD1-CG 4.11Å; I528-F562 HydrophobicContact CD1-CZ 3.73Å; L558-F562 HydrophobicContact CD2-CB 4.36Å; L558-F562 HydrophobicContact CD2-CD2 3.88Å; L558-F562 HydrophobicContact CD2-CG 4.25Å; L558-F562 CarbonylContact O-C 3.49Å; L558-F562 VanDerWaalsContact O-CA 3.31Å; L558-F562 WeakPolarHBondContact O-CA 3.35Å; L558-F562 WeakPolarHBondContact O-CB 3.37Å; L558-F562 PolarHBondContact O-N 3.14Å; F562-P564 VanDerWaalsContact C-CD 3.47Å; F562-H565 PolarHBondContact O-N 3.39Å; F562-L566 HydrophobicContact CB-CD1 3.83Å; F562-L566 HydrophobicContact CB-CG 4.38Å |
| 563 | K | 89.3 | Confident | 90.7 | Very high | 25 Ų | 25 | 30 Ų | 30 | 11% | 0.109 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -47.7 | -47.6 | -174.6 | 167.6 | -178.5 | 68 | 177.3 | 0 | 115.4 | L558 L559 H565 L566 I570 D611 F976 | L558-K563 PolarHBondContact O-N 2.79Å; L559-K563 HydrophobicContact CD1-CB 4.29Å; L559-K563 HydrophobicContact CD1-CD 4.13Å; L559-K563 HydrophobicContact CD1-CG 4.16Å; L559-K563 WeakPolarHBondContact O-CB 3.32Å; K563-H565 PolarHBondContact O-N 3.05Å; K563-H565 VanDerWaalsContact O-N 3.1Å; K563-L566 PolarHBondContact O-N 3.14Å; K563-I570 HydrophobicContact CB-CD1 4.27Å; K563-I570 HydrophobicContact CG-CD1 4.04Å; K563-D611 WeakPolarHBondContact CE-OD2 3.33Å; K563-D611 IonicContact NZ-OD2 3.22Å; K563-D611 PolarHBondContact NZ-OD2 3.07Å; K563-F976 HydrophobicContact CD-CE1 4.48Å; K563-F976 HydrophobicContact CD-CE2 4.35Å; K563-F976 HydrophobicContact CD-CZ 3.7Å; K563-F976 HydrophobicContact CG-CE1 4.28Å; K563-F976 HydrophobicContact CG-CE2 3.74Å; K563-F976 HydrophobicContact CG-CZ 3.48Å; K563-F976 VanDerWaalsContact CG-CZ 3.48Å |
| 564 | P | 86.2 | Confident | 90.6 | Very high | 68 Ų | 68 | 28.5 Ų | 28.5 | 44% | 0.442 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -58.4 | -29 | -178.5 | -25.1 | 35.1 | 0 | 0 | 0 | 113.7 | F562 F976 | F562-P564 VanDerWaalsContact C-CD 3.47Å; P564-F976 HydrophobicContact CB-CB 4.39Å; P564-F976 HydrophobicContact CB-CD1 4.09Å; P564-F976 HydrophobicContact CB-CG 4.29Å; P564-F976 HydrophobicContact CG-CD1 4.38Å; P564-F976 WeakPolarHBondContact O-CB 3.26Å |
| 565 | H | 86.6 | Confident | 90.3 | Very high | 79 Ų | 79 | 32.6 Ų | 32.6 | 37% | 0.366 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -88 | -13.4 | -177.5 | -56.9 | -62.5 | 0 | 0 | 0 | 113.4 | I525 K529 F562 K563 | I525-H565 HydrophobicContact CG2-CB 3.68Å; K529-H565 WeakPolarHBondContact CE-O 3.45Å; K529-H565 PolarHBondContact NZ-O 3.38Å; F562-H565 PolarHBondContact O-N 3.39Å; K563-H565 PolarHBondContact O-N 3.05Å; K563-H565 VanDerWaalsContact O-N 3.1Å |
| 566 | L | 90.4 | Very high | 90 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | trans | -114 | 24.2 | -167.1 | -62.6 | 178.5 | 0 | 0 | 0 | 113.7 | I528 K529 L558 F562 K563 R568 Q569 I570 | I528-L566 HydrophobicContact CG2-CD1 4.16Å; I528-L566 HydrophobicContact CG2-CD2 4.06Å; K529-L566 HydrophobicContact CG-CD2 3.68Å; L558-L566 HydrophobicContact CB-CD1 3.92Å; L558-L566 HydrophobicContact CD1-CD1 4.31Å; L558-L566 HydrophobicContact CD2-CD1 4.29Å; L558-L566 HydrophobicContact CG-CD1 4.42Å; F562-L566 HydrophobicContact CB-CD1 3.83Å; F562-L566 HydrophobicContact CB-CG 4.38Å; K563-L566 PolarHBondContact O-N 3.14Å; L566-R568 PolarHBondContact O-N 3.45Å; L566-Q569 HydrophobicContact CB-CB 4.4Å; L566-Q569 HydrophobicContact CD2-CG 4.48Å; L566-Q569 PolarHBondContact O-N 3.23Å; L566-Q569 VanDerWaalsContact O-N 3.08Å; L566-Q569 PolarHBondContact O-OE1 2.62Å; L566-I570 HydrophobicContact CB-CD1 3.99Å; L566-I570 HydrophobicContact CB-CG1 4.06Å; L566-I570 WeakPolarHBondContact O-CB 3.5Å; L566-I570 VanDerWaalsContact O-CG1 3.26Å; L566-I570 WeakPolarHBondContact O-CG1 3.37Å; L566-I570 PolarHBondContact O-N 3.08Å | ||
| 567 | K | 89.3 | Confident | 89.7 | Confident | 19 Ų | 19 | 34.5 Ų | 34.5 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -46 | -56.3 | -172.7 | -171.8 | 171.7 | 172.9 | 175.7 | 0 | 113.1 | I570 E571 N615 Y616 D619 M622 S974 E975 F976 | K567-I570 PolarHBondContact O-N 3.42Å; K567-E571 PolarHBondContact O-N 3.16Å; K567-N615 HydrophobicContact CD-CB 4.48Å; K567-N615 WeakPolarHBondContact CE-O 3.23Å; K567-Y616 WeakPolarHBondContact CA-OH 2.95Å; K567-Y616 HydrophobicContact CG-CE1 4.21Å; K567-Y616 WeakPolarHBondContact O-CE1 3.35Å; K567-Y616 PolarHBondContact O-OH 3.07Å; K567-D619 IonicContact NZ-OD2 2.67Å; K567-D619 PolarHBondContact NZ-OD2 2.83Å; K567-M622 HydrophobicContact CG-CE 4.35Å; K567-S974 PolarHBondContact NZ-OG 3.47Å; K567-E975 PolarHBondContact NZ-O 3.45Å; K567-F976 HydrophobicContact CB-CD2 4.26Å; K567-F976 HydrophobicContact CD-CD2 4.4Å; K567-F976 HydrophobicContact CG-CD2 4.33Å |
| 568 | R | 86.3 | Confident | 89.8 | Confident | 91 Ų | 91 | 34 Ų | 34 | 34% | 0.343 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69.3 | -38.5 | -180 | -165.4 | 171.6 | -172.6 | 172.1 | 1.3 | 113.5 | L566 I570 E571 V572 S968 S971 | L566-R568 PolarHBondContact O-N 3.45Å; R568-I570 VanDerWaalsContact C-N 3.3Å; R568-I570 PolarHBondContact O-N 3.35Å; R568-E571 PolarHBondContact O-N 2.61Å; R568-V572 WeakPolarHBondContact O-CG2 3.34Å; R568-V572 PolarHBondContact O-N 3.36Å; R568-S968 PolarHBondContact NH1-O 2.7Å; R568-S968 PolarHBondContact NH2-O 3.18Å; R568-S971 PolarHBondContact NH1-O 3.24Å |
| 569 | Q | 91.1 | Very high | 89.7 | Confident | 16 Ų | 16 | 34 Ų | 34 | 8% | 0.075 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.8 | -36.4 | 178.8 | -64.6 | 74.3 | 23.3 | 0 | 0 | 111.2 | C533 F537 L566 F573 V969 | C533-Q569 HydrophobicContact CB-CG 4.18Å; F537-Q569 WeakPolarHBondContact CZ-O 3.33Å; L566-Q569 HydrophobicContact CB-CB 4.4Å; L566-Q569 HydrophobicContact CD2-CG 4.48Å; L566-Q569 PolarHBondContact O-N 3.23Å; L566-Q569 VanDerWaalsContact O-N 3.08Å; L566-Q569 PolarHBondContact O-OE1 2.62Å; Q569-F573 WeakPolarHBondContact O-CB 3.3Å; Q569-F573 PolarHBondContact O-N 3.39Å; Q569-V969 HydrophobicContact CG-CG1 4.08Å |
| 570 | I | 92.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 174.6 | -70.4 | 164.3 | 0 | 0 | 0 | 110.3 | F555 L559 K563 L566 K567 R568 V572 F573 F574 Y616 | F555-I570 HydrophobicContact CE2-CG1 4.29Å; F555-I570 HydrophobicContact CZ-CG2 4.47Å; L559-I570 HydrophobicContact CD1-CD1 3.78Å; L559-I570 HydrophobicContact CD1-CG1 4.2Å; L559-I570 HydrophobicContact CD1-CG2 4.35Å; K563-I570 HydrophobicContact CB-CD1 4.27Å; K563-I570 HydrophobicContact CG-CD1 4.04Å; L566-I570 HydrophobicContact CB-CD1 3.99Å; L566-I570 HydrophobicContact CB-CG1 4.06Å; L566-I570 WeakPolarHBondContact O-CB 3.5Å; L566-I570 VanDerWaalsContact O-CG1 3.26Å; L566-I570 WeakPolarHBondContact O-CG1 3.37Å; L566-I570 PolarHBondContact O-N 3.08Å; K567-I570 PolarHBondContact O-N 3.42Å; R568-I570 VanDerWaalsContact C-N 3.3Å; R568-I570 PolarHBondContact O-N 3.35Å; I570-V572 PolarHBondContact O-N 3.36Å; I570-F573 PolarHBondContact O-N 3.23Å; I570-F574 HydrophobicContact CG2-CD2 3.62Å; I570-F574 HydrophobicContact CG2-CE2 3.75Å; I570-F574 WeakPolarHBondContact O-CD2 3.34Å; I570-F574 PolarHBondContact O-N 3.21Å; I570-Y616 VanDerWaalsContact CB-OH 3.23Å; I570-Y616 WeakPolarHBondContact CB-OH 3.44Å; I570-Y616 HydrophobicContact CG2-CE1 4.46Å; I570-Y616 HydrophobicContact CG2-CE2 4.28Å; I570-Y616 VanDerWaalsContact CG2-OH 3.24Å; I570-Y616 WeakPolarHBondContact CG2-OH 3.43Å |
| 571 | E | 91.3 | Very high | 89.5 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 11% | 0.112 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.2 | -54.4 | 177.7 | -174.5 | -164.1 | -176.4 | 0 | 0 | 112 | K567 R568 F573 F574 K575 Y616 M622 A623 I625 | K567-E571 PolarHBondContact O-N 3.16Å; R568-E571 PolarHBondContact O-N 2.61Å; E571-F573 PolarHBondContact O-N 3.05Å; E571-F574 PolarHBondContact O-N 3.03Å; E571-K575 WeakPolarHBondContact O-CB 3.35Å; E571-K575 PolarHBondContact O-N 3.14Å; E571-Y616 HydrophobicContact CB-CD1 4.01Å; E571-Y616 HydrophobicContact CB-CE1 3.77Å; E571-Y616 HydrophobicContact CG-CD1 4.33Å; E571-M622 HydrophobicContact CB-CE 3.7Å; E571-M622 HydrophobicContact CG-CE 4.06Å; E571-M622 WeakPolarHBondContact OE2-CE 3.45Å; E571-A623 HydrophobicContact CG-CB 4.16Å; E571-A623 VanDerWaalsContact OE1-CB 3.28Å; E571-A623 WeakPolarHBondContact OE1-CB 3.48Å; E571-A623 PolarHBondContact OE1-N 2.88Å; E571-I625 HydrophobicContact CB-CD1 4.24Å; E571-I625 HydrophobicContact CG-CD1 4.19Å |
| 572 | V | 88.8 | Confident | 89.5 | Confident | 28 Ų | 28 | 30.3 Ų | 30.3 | 17% | 0.17 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.1 | -39.4 | -178.4 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | F537 R568 I570 D576 | F537-V572 HydrophobicContact CD1-CG1 4.09Å; F537-V572 HydrophobicContact CE1-CB 3.74Å; F537-V572 HydrophobicContact CE1-CG1 3.33Å; F537-V572 HydrophobicContact CE2-CG1 4.49Å; F537-V572 HydrophobicContact CZ-CB 3.59Å; F537-V572 HydrophobicContact CZ-CG1 3.59Å; R568-V572 WeakPolarHBondContact O-CG2 3.34Å; R568-V572 PolarHBondContact O-N 3.36Å; I570-V572 PolarHBondContact O-N 3.36Å; V572-D576 WeakPolarHBondContact CG1-OD2 3.46Å; V572-D576 VanDerWaalsContact O-CB 3.29Å; V572-D576 WeakPolarHBondContact O-CB 3.45Å; V572-D576 PolarHBondContact O-N 2.98Å |
| 573 | F | 91.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.1 | -42 | -180 | -161 | -89.4 | 0 | 0 | 0 | 112.3 | L536 F537 F555 Q569 I570 E571 V577 L578 | L536-F573 HydrophobicContact CB-CE2 4.05Å; F537-F573 HydrophobicContact CD1-CD2 4.14Å; F537-F573 VanDerWaalsContact CE1-CA 3.49Å; F537-F573 HydrophobicContact CE1-CB 3.81Å; F537-F573 AromaticContact CE1-CD2 3.88Å; F537-F573 HydrophobicContact CE1-CD2 3.88Å; F537-F573 HydrophobicContact CE1-CG 4.32Å; F537-F573 VanDerWaalsContact CE1-N 3.35Å; F537-F573 HydrophobicContact CZ-CB 3.92Å; F537-F573 HydrophobicContact CZ-CD2 4.27Å; F555-F573 HydrophobicContact CB-CD1 4.24Å; F555-F573 HydrophobicContact CB-CE1 3.66Å; F555-F573 HydrophobicContact CB-CE2 4.36Å; F555-F573 HydrophobicContact CB-CZ 3.73Å; F555-F573 AromaticContact CD1-CD1 3.5Å; F555-F573 HydrophobicContact CD1-CD1 3.5Å; F555-F573 VanDerWaalsContact CD1-CD1 3.5Å; F555-F573 AromaticContact CD1-CE1 3.42Å; F555-F573 HydrophobicContact CD1-CE1 3.42Å; F555-F573 VanDerWaalsContact CD1-CE1 3.42Å; F555-F573 HydrophobicContact CD1-CG 4.48Å; F555-F573 HydrophobicContact CD1-CZ 4.35Å; F555-F573 HydrophobicContact CD2-CB 4.09Å; F555-F573 AromaticContact CD2-CD1 3.42Å; F555-F573 HydrophobicContact CD2-CD1 3.42Å; F555-F573 VanDerWaalsContact CD2-CD1 3.42Å; F555-F573 HydrophobicContact CD2-CD2 4.08Å; F555-F573 AromaticContact CD2-CE1 3.77Å; F555-F573 HydrophobicContact CD2-CE1 3.77Å; F555-F573 HydrophobicContact CD2-CE2 4.39Å; F555-F573 AromaticContact CD2-CG 3.59Å; F555-F573 HydrophobicContact CD2-CG 3.59Å; F555-F573 HydrophobicContact CD2-CZ 4.24Å; F555-F573 AromaticContact CE1-CD1 3.56Å; F555-F573 HydrophobicContact CE1-CD1 3.56Å; F555-F573 AromaticContact CE1-CE1 3.96Å; F555-F573 HydrophobicContact CE1-CE1 3.96Å; F555-F573 HydrophobicContact CE1-CG 4.49Å; F555-F573 HydrophobicContact CE2-CB 3.62Å; F555-F573 AromaticContact CE2-CD1 3.49Å; F555-F573 HydrophobicContact CE2-CD1 3.49Å; F555-F573 VanDerWaalsContact CE2-CD1 3.49Å; F555-F573 HydrophobicContact CE2-CD2 4.48Å; F555-F573 HydrophobicContact CE2-CE1 4.27Å; F555-F573 AromaticContact CE2-CG 3.61Å; F555-F573 HydrophobicContact CE2-CG 3.61Å; F555-F573 AromaticContact CG-CD1 3.42Å; F555-F573 HydrophobicContact CG-CD1 3.42Å; F555-F573 VanDerWaalsContact CG-CD1 3.42Å; F555-F573 AromaticContact CG-CE1 3.3Å; F555-F573 HydrophobicContact CG-CE1 3.3Å; F555-F573 HydrophobicContact CG-CE2 4.42Å; F555-F573 HydrophobicContact CG-CG 4.04Å; F555-F573 AromaticContact CG-CZ 3.85Å; F555-F573 HydrophobicContact CG-CZ 3.85Å; F555-F573 HydrophobicContact CZ-CB 4.06Å; F555-F573 AromaticContact CZ-CD1 3.56Å; F555-F573 HydrophobicContact CZ-CD1 3.56Å; F555-F573 HydrophobicContact CZ-CE1 4.35Å; F555-F573 HydrophobicContact CZ-CG 4.08Å; Q569-F573 WeakPolarHBondContact O-CB 3.3Å; Q569-F573 PolarHBondContact O-N 3.39Å; I570-F573 PolarHBondContact O-N 3.23Å; E571-F573 PolarHBondContact O-N 3.05Å; F573-V577 HydrophobicContact CD2-CB 4.44Å; F573-V577 HydrophobicContact CD2-CG2 4.08Å; F573-V577 HydrophobicContact CE1-CG1 4.48Å; F573-V577 HydrophobicContact CE2-CB 4.45Å; F573-V577 HydrophobicContact CE2-CG1 4.39Å; F573-V577 HydrophobicContact CE2-CG2 4.24Å; F573-V577 HydrophobicContact CG-CB 4.48Å; F573-V577 HydrophobicContact CG-CG2 4.46Å; F573-V577 HydrophobicContact CZ-CG1 4.2Å; F573-V577 WeakPolarHBondContact O-CA 3.44Å; F573-V577 VanDerWaalsContact O-CB 3.24Å; F573-V577 WeakPolarHBondContact O-CB 3.22Å; F573-V577 PolarHBondContact O-N 3.35Å; F573-V577 VanDerWaalsContact O-N 3.16Å; F573-L578 HydrophobicContact CD1-CD1 4.1Å; F573-L578 HydrophobicContact CD1-CD2 4.42Å; F573-L578 HydrophobicContact CD1-CG 3.93Å; F573-L578 HydrophobicContact CE1-CD1 4.24Å; F573-L578 HydrophobicContact CE1-CD2 3.87Å; F573-L578 HydrophobicContact CE1-CG 3.9Å; F573-L578 PolarHBondContact O-N 3.4Å |
| 574 | F | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -63.8 | -51.3 | 173.7 | -92.7 | -88.9 | 0 | 0 | 0 | 111.6 | F555 I570 E571 L578 L579 L599 I602 I612 I625 | F555-F574 HydrophobicContact CE1-CD2 4.39Å; F555-F574 AromaticContact CE1-CE2 4Å; F555-F574 HydrophobicContact CE1-CE2 4Å; F555-F574 AromaticContact CZ-CD2 3.94Å; F555-F574 HydrophobicContact CZ-CD2 3.94Å; F555-F574 AromaticContact CZ-CE2 3.79Å; F555-F574 HydrophobicContact CZ-CE2 3.79Å; I570-F574 HydrophobicContact CG2-CD2 3.62Å; I570-F574 HydrophobicContact CG2-CE2 3.75Å; I570-F574 WeakPolarHBondContact O-CD2 3.34Å; I570-F574 PolarHBondContact O-N 3.21Å; E571-F574 PolarHBondContact O-N 3.03Å; F574-L578 HydrophobicContact CD1-CD1 4.06Å; F574-L578 HydrophobicContact CE1-CD1 4.13Å; F574-L578 HydrophobicContact CG-CD1 4.32Å; F574-L578 HydrophobicContact CZ-CD1 4.45Å; F574-L578 PolarHBondContact O-N 3.4Å; F574-L579 WeakPolarHBondContact O-CB 3.48Å; F574-L579 VanDerWaalsContact O-CG 3.32Å; F574-L579 WeakPolarHBondContact O-CG 3.17Å; F574-L579 PolarHBondContact O-N 3.27Å; F574-L599 HydrophobicContact CE1-CD2 4.22Å; F574-I602 HydrophobicContact CE1-CD1 4.25Å; F574-I602 HydrophobicContact CZ-CD1 3.8Å; F574-I602 HydrophobicContact CZ-CG2 4.22Å; F574-I612 HydrophobicContact CE1-CD1 4.44Å; F574-I612 HydrophobicContact CE2-CD1 4.28Å; F574-I612 HydrophobicContact CZ-CD1 3.77Å; F574-I625 HydrophobicContact CB-CD1 4.04Å; F574-I625 HydrophobicContact CB-CG1 4.42Å; F574-I625 HydrophobicContact CB-CG2 3.88Å; F574-I625 HydrophobicContact CD1-CG2 3.59Å; F574-I625 HydrophobicContact CE1-CG2 4.2Å; F574-I625 HydrophobicContact CG-CD1 4.44Å; F574-I625 HydrophobicContact CG-CG2 3.75Å |
| 575 | K | 87.9 | Confident | 88.4 | Confident | 87 Ų | 87 | 35.3 Ų | 35.3 | 38% | 0.378 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -67.2 | -48.5 | -173.3 | -175.6 | -171.5 | 176.7 | 177.7 | 0 | 112.6 | E571 A623 R628 | E571-K575 WeakPolarHBondContact O-CB 3.35Å; E571-K575 PolarHBondContact O-N 3.14Å; K575-A623 HydrophobicContact CD-CB 4.47Å; K575-R628 PolarHBondContact O-NH1 2.7Å |
| 576 | D | 86.9 | Confident | 88 | Confident | 69 Ų | 69 | 39.9 Ų | 39.9 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -101.4 | -14.4 | -166.7 | -59.8 | -30.9 | 0 | 0 | 0 | 113.3 | V572 L580 | V572-D576 WeakPolarHBondContact CG1-OD2 3.46Å; V572-D576 VanDerWaalsContact O-CB 3.29Å; V572-D576 WeakPolarHBondContact O-CB 3.45Å; V572-D576 PolarHBondContact O-N 2.98Å; D576-L580 VanDerWaalsContact O-CD2 3.26Å; D576-L580 WeakPolarHBondContact O-CD2 3.44Å |
| 577 | V | 89.5 | Confident | 87.7 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -112.6 | -68.7 | 176.6 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | F537 F548 F573 I581 | F537-V577 HydrophobicContact CD1-CG2 4.07Å; F537-V577 HydrophobicContact CE1-CG2 4.41Å; F548-V577 HydrophobicContact CE2-CG1 3.92Å; F573-V577 HydrophobicContact CD2-CB 4.44Å; F573-V577 HydrophobicContact CD2-CG2 4.08Å; F573-V577 HydrophobicContact CE1-CG1 4.48Å; F573-V577 HydrophobicContact CE2-CB 4.45Å; F573-V577 HydrophobicContact CE2-CG1 4.39Å; F573-V577 HydrophobicContact CE2-CG2 4.24Å; F573-V577 HydrophobicContact CG-CB 4.48Å; F573-V577 HydrophobicContact CG-CG2 4.46Å; F573-V577 HydrophobicContact CZ-CG1 4.2Å; F573-V577 WeakPolarHBondContact O-CA 3.44Å; F573-V577 VanDerWaalsContact O-CB 3.24Å; F573-V577 WeakPolarHBondContact O-CB 3.22Å; F573-V577 PolarHBondContact O-N 3.35Å; F573-V577 VanDerWaalsContact O-N 3.16Å; V577-I581 HydrophobicContact CG1-CD1 4.02Å; V577-I581 VanDerWaalsContact O-CB 3.29Å; V577-I581 WeakPolarHBondContact O-CB 3.49Å; V577-I581 WeakPolarHBondContact O-CD1 3.39Å; V577-I581 WeakPolarHBondContact O-CG1 3.27Å; V577-I581 PolarHBondContact O-N 3.43Å; V577-I581 VanDerWaalsContact O-N 3.08Å |
| 578 | L | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -65.4 | -58.2 | -170.2 | -61.3 | -178.8 | 0 | 0 | 0 | 112.2 | V552 F555 F573 F574 I581 L582 V595 | V552-L578 HydrophobicContact CG2-CD2 4.31Å; F555-L578 HydrophobicContact CD1-CD1 4.46Å; F555-L578 HydrophobicContact CE1-CD1 4Å; F573-L578 HydrophobicContact CD1-CD1 4.1Å; F573-L578 HydrophobicContact CD1-CD2 4.42Å; F573-L578 HydrophobicContact CD1-CG 3.93Å; F573-L578 HydrophobicContact CE1-CD1 4.24Å; F573-L578 HydrophobicContact CE1-CD2 3.87Å; F573-L578 HydrophobicContact CE1-CG 3.9Å; F573-L578 PolarHBondContact O-N 3.4Å; F574-L578 HydrophobicContact CD1-CD1 4.06Å; F574-L578 HydrophobicContact CE1-CD1 4.13Å; F574-L578 HydrophobicContact CG-CD1 4.32Å; F574-L578 HydrophobicContact CZ-CD1 4.45Å; F574-L578 PolarHBondContact O-N 3.4Å; L578-I581 PolarHBondContact O-N 2.97Å; L578-L582 WeakPolarHBondContact O-CB 3.45Å; L578-L582 PolarHBondContact O-N 2.94Å; L578-L582 VanDerWaalsContact O-N 3.1Å; L578-V595 HydrophobicContact CB-CG1 4.26Å; L578-V595 HydrophobicContact CD2-CG1 4.33Å; L578-V595 HydrophobicContact CD2-CG2 4.1Å |
| 579 | L | 91.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.6 | -37.5 | -176.2 | -62.6 | 175.9 | 0 | 0 | 0 | 111.7 | F574 I581 L582 E583 R628 L629 | F574-L579 WeakPolarHBondContact O-CB 3.48Å; F574-L579 VanDerWaalsContact O-CG 3.32Å; F574-L579 WeakPolarHBondContact O-CG 3.17Å; F574-L579 PolarHBondContact O-N 3.27Å; L579-I581 PolarHBondContact O-N 2.93Å; L579-L582 HydrophobicContact CD2-CD2 4.42Å; L579-L582 WeakPolarHBondContact O-CB 3.37Å; L579-L582 PolarHBondContact O-N 3.14Å; L579-E583 WeakPolarHBondContact O-CB 3.26Å; L579-E583 VanDerWaalsContact O-CG 3.32Å; L579-E583 WeakPolarHBondContact O-CG 3.34Å; L579-E583 PolarHBondContact O-N 2.66Å; L579-R628 HydrophobicContact CD1-CB 4.11Å; L579-R628 HydrophobicContact CD1-CG 3.92Å; L579-L629 HydrophobicContact CD2-CB 4.36Å; L579-L629 HydrophobicContact CD2-CD1 4.25Å |
| 580 | L | 88.9 | Confident | 87.2 | Confident | 89 Ų | 89 | 41.4 Ų | 41.4 | 47% | 0.466 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.3 | -174.9 | 69.6 | 0 | 0 | 0 | 112.3 | D576 L582 S584 | D576-L580 VanDerWaalsContact O-CD2 3.26Å; D576-L580 WeakPolarHBondContact O-CD2 3.44Å; L580-L582 VanDerWaalsContact C-N 3.29Å; L580-L582 PolarHBondContact O-N 3.1Å; L580-S584 WeakPolarHBondContact O-CB 3.29Å; L580-S584 PolarHBondContact O-N 2.79Å |
| 581 | I | 87.6 | Confident | 87.2 | Confident | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.108 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -37.3 | 177.5 | -72.7 | 171 | 0 | 0 | 0 | 110.6 | F548 V577 L578 L579 S587 H591 K592 V595 | F548-I581 HydrophobicContact CD2-CD1 4.23Å; F548-I581 HydrophobicContact CE1-CD1 4.48Å; F548-I581 HydrophobicContact CE2-CD1 3.27Å; F548-I581 HydrophobicContact CZ-CD1 3.42Å; F548-I581 VanDerWaalsContact CZ-CD1 3.42Å; V577-I581 HydrophobicContact CG1-CD1 4.02Å; V577-I581 VanDerWaalsContact O-CB 3.29Å; V577-I581 WeakPolarHBondContact O-CB 3.49Å; V577-I581 WeakPolarHBondContact O-CD1 3.39Å; V577-I581 WeakPolarHBondContact O-CG1 3.27Å; V577-I581 PolarHBondContact O-N 3.43Å; V577-I581 VanDerWaalsContact O-N 3.08Å; L578-I581 PolarHBondContact O-N 2.97Å; L579-I581 PolarHBondContact O-N 2.93Å; I581-S587 WeakPolarHBondContact CA-OG 3.2Å; I581-S587 WeakPolarHBondContact O-CB 3.48Å; I581-S587 PolarHBondContact O-OG 3.46Å; I581-H591 HydrophobicContact CG2-CB 3.9Å; I581-K592 WeakPolarHBondContact O-CE 3.35Å; I581-V595 HydrophobicContact CB-CG2 4.23Å; I581-V595 HydrophobicContact CG2-CG2 3.84Å |
| 582 | L | 87.1 | Confident | 87.1 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.6 | -50.2 | -179.7 | -164.4 | 64.3 | 0 | 0 | 0 | 111.8 | L578 L579 L580 K592 V595 I596 L599 D632 L633 I636 | L578-L582 WeakPolarHBondContact O-CB 3.45Å; L578-L582 PolarHBondContact O-N 2.94Å; L578-L582 VanDerWaalsContact O-N 3.1Å; L579-L582 HydrophobicContact CD2-CD2 4.42Å; L579-L582 WeakPolarHBondContact O-CB 3.37Å; L579-L582 PolarHBondContact O-N 3.14Å; L580-L582 VanDerWaalsContact C-N 3.29Å; L580-L582 PolarHBondContact O-N 3.1Å; L582-K592 PolarHBondContact O-NZ 3.46Å; L582-V595 HydrophobicContact CB-CG1 4.39Å; L582-V595 HydrophobicContact CD1-CG1 4.19Å; L582-I596 HydrophobicContact CD1-CD1 3.81Å; L582-I596 HydrophobicContact CD1-CG1 3.96Å; L582-L599 HydrophobicContact CD2-CD1 3.85Å; L582-D632 HydrophobicContact CD2-CB 4.12Å; L582-L633 HydrophobicContact CD2-CD2 4.48Å; L582-I636 HydrophobicContact CD1-CD1 3.2Å; L582-I636 HydrophobicContact CD2-CD1 3.82Å; L582-I636 HydrophobicContact CG-CD1 3.29Å |
| 583 | E | 86.6 | Confident | 87.2 | Confident | 80 Ų | 80 | 42.8 Ų | 42.8 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.3 | -39 | 180 | -70.4 | 173.6 | 170.4 | 0 | 0 | 113.2 | L579 S585 R628 D632 | L579-E583 WeakPolarHBondContact O-CB 3.26Å; L579-E583 VanDerWaalsContact O-CG 3.32Å; L579-E583 WeakPolarHBondContact O-CG 3.34Å; L579-E583 PolarHBondContact O-N 2.66Å; E583-S585 PolarHBondContact O-N 3.28Å; E583-R628 IonicContact OE1-CZ 3.49Å; E583-R628 IonicContact OE1-NE 3.06Å; E583-R628 PolarHBondContact OE1-NE 3.14Å; E583-R628 IonicContact OE1-NH2 2.88Å; E583-R628 PolarHBondContact OE1-NH2 2.94Å; E583-R628 IonicContact OE2-CZ 3.91Å; E583-R628 IonicContact OE2-NE 3.29Å; E583-R628 IonicContact OE2-NH2 3.67Å; E583-R628 PolarHBondContact OE2-NH2 3.4Å; E583-D632 VanDerWaalsContact CG-OD2 3.3Å; E583-D632 WeakPolarHBondContact CG-OD2 3.15Å |
| 584 | S | 83.2 | Confident | 87.3 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | trans | -64.9 | 127.7 | -173.9 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | L580 K586 S587 K592 | L580-S584 WeakPolarHBondContact O-CB 3.29Å; L580-S584 PolarHBondContact O-N 2.79Å; S584-K586 PolarHBondContact O-N 3.1Å; S584-K586 PolarHBondContact OG-N 2.82Å; S584-S587 WeakPolarHBondContact CB-OG 3.32Å; S584-K592 WeakPolarHBondContact O-CE 3.48Å; S584-K592 PolarHBondContact O-NZ 3.04Å | ||
| 585 | S | 74.5 | Confident | 87.4 | Confident | 78 Ų | 78 | 43.7 Ų | 43.7 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.2 | 173.3 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | E583 | E583-S585 PolarHBondContact O-N 3.28Š|
| 586 | K | 78.5 | Confident | 87.6 | Confident | 174 Ų | 174 | 39.5 Ų | 39.5 | 76% | 0.757 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -14.3 | -178.5 | -62.3 | -178.3 | -178.9 | 176.2 | 0 | 113.9 | S584 | S584-K586 PolarHBondContact O-N 3.1Å; S584-K586 PolarHBondContact OG-N 2.82Å |
| 587 | S | 84.3 | Confident | 87.8 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 19% | 0.189 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -67.4 | 136.2 | 179.9 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | I581 S584 | I581-S587 WeakPolarHBondContact CA-OG 3.2Å; I581-S587 WeakPolarHBondContact O-CB 3.48Å; I581-S587 PolarHBondContact O-OG 3.46Å; S584-S587 WeakPolarHBondContact CB-OG 3.32Å |
| 588 | S | 84.5 | Confident | 88 | Confident | 55 Ų | 55 | 40.1 Ų | 40.1 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | trans | -68.3 | 153 | 179 | 86.4 | 0 | 0 | 0 | 0 | 111.4 | G590 H591 K592 | S588-G590 PolarHBondContact O-N 3.36Å; S588-H591 PolarHBondContact O-N 3.15Å; S588-H591 VanDerWaalsContact O-N 3.1Å; S588-H591 PolarHBondContact OG-ND1 3.1Å; S588-K592 PolarHBondContact O-N 2.86Å; S588-K592 VanDerWaalsContact O-N 3.14Å | ||
| 589 | Y | 86.1 | Confident | 88 | Confident | 58 Ų | 58 | 40.1 Ų | 40.1 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -50.7 | -43.8 | 177.6 | 171.9 | -103.5 | 0 | 0 | 0 | 112.7 | H591 K592 L593 Q658 I661 L662 | Y589-H591 PolarHBondContact O-N 3.41Å; Y589-K592 PolarHBondContact O-N 3.08Å; Y589-L593 HydrophobicContact CE1-CD2 4.22Å; Y589-L593 WeakPolarHBondContact O-CB 3.33Å; Y589-L593 PolarHBondContact O-N 3.43Å; Y589-Q658 HydrophobicContact CD1-CG 3.97Å; Y589-Q658 HydrophobicContact CD2-CB 3.6Å; Y589-Q658 HydrophobicContact CD2-CG 3.9Å; Y589-Q658 HydrophobicContact CE1-CG 3.9Å; Y589-Q658 HydrophobicContact CE2-CB 3.53Å; Y589-Q658 HydrophobicContact CE2-CG 3.82Å; Y589-Q658 VanDerWaalsContact CE2-O 3.3Å; Y589-Q658 WeakPolarHBondContact CE2-O 3.24Å; Y589-Q658 HydrophobicContact CG-CB 4.14Å; Y589-Q658 HydrophobicContact CG-CG 3.97Å; Y589-I661 WeakPolarHBondContact OH-CG2 3.46Å; Y589-L662 HydrophobicContact CD2-CD1 3.81Å; Y589-L662 HydrophobicContact CD2-CG 4.12Å; Y589-L662 HydrophobicContact CE2-CD1 4.05Å; Y589-L662 HydrophobicContact CE2-CD2 4.37Å; Y589-L662 HydrophobicContact CE2-CG 3.83Å |
| 590 | G | 86.2 | Confident | 88.1 | Confident | 23 Ų | 23 | 41.8 Ų | 41.8 | 24% | 0.237 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -40.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S588 L593 I594 | S588-G590 PolarHBondContact O-N 3.36Å; G590-L593 PolarHBondContact O-N 3.27Å; G590-I594 WeakPolarHBondContact O-CD1 3.22Å; G590-I594 WeakPolarHBondContact O-CG1 3.39Å; G590-I594 PolarHBondContact O-N 3.42Å; G590-I594 VanDerWaalsContact O-N 3.16Å |
| 591 | H | 90.6 | Very high | 88.2 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.7 | -43.9 | 176.1 | -67.4 | 88.3 | 0 | 0 | 0 | 111.3 | S542 P543 F548 I581 S588 Y589 L593 I594 V595 | S542-H591 PolarHBondContact O-NE2 3.09Å; S542-H591 VanDerWaalsContact O-NE2 3.13Å; P543-H591 PolarHBondContact O-CE1 3.2Å; F548-H591 HydrophobicContact CD1-CB 4.41Å; F548-H591 AromaticContact CD1-CD2 3.47Å; F548-H591 VanDerWaalsContact CD1-CD2 3.47Å; F548-H591 WeakPolarHBondContact CD1-CD2 3.24Å; F548-H591 HydrophobicContact CE1-CB 4.25Å; F548-H591 AromaticContact CG-CD2 3.46Å; F548-H591 VanDerWaalsContact CG-CD2 3.46Å; F548-H591 WeakPolarHBondContact CG-CD2 3.29Å; I581-H591 HydrophobicContact CG2-CB 3.9Å; S588-H591 PolarHBondContact O-N 3.15Å; S588-H591 VanDerWaalsContact O-N 3.1Å; S588-H591 PolarHBondContact OG-ND1 3.1Å; Y589-H591 PolarHBondContact O-N 3.41Å; H591-L593 VanDerWaalsContact C-N 3.3Å; H591-L593 PolarHBondContact O-N 3.04Å; H591-I594 PolarHBondContact O-N 3.03Å; H591-V595 WeakPolarHBondContact O-CG2 3.47Å; H591-V595 PolarHBondContact O-N 3.14Å |
| 592 | K | 91 | Very high | 88.4 | Confident | 24 Ų | 24 | 45 Ų | 45 | 10% | 0.104 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 177.5 | -66.8 | -162.6 | 178.5 | -148.4 | 0 | 112.1 | I581 L582 S584 S588 Y589 V595 I596 L662 | I581-K592 WeakPolarHBondContact O-CE 3.35Å; L582-K592 PolarHBondContact O-NZ 3.46Å; S584-K592 WeakPolarHBondContact O-CE 3.48Å; S584-K592 PolarHBondContact O-NZ 3.04Å; S588-K592 PolarHBondContact O-N 2.86Å; S588-K592 VanDerWaalsContact O-N 3.14Å; Y589-K592 PolarHBondContact O-N 3.08Å; K592-V595 PolarHBondContact O-N 2.78Å; K592-I596 WeakPolarHBondContact O-CB 3.49Å; K592-I596 WeakPolarHBondContact O-CG1 3.19Å; K592-I596 PolarHBondContact O-N 2.86Å; K592-L662 HydrophobicContact CB-CD1 4.39Å; K592-L662 HydrophobicContact CB-CD2 4.09Å; K592-L662 HydrophobicContact CD-CD1 4.4Å |
| 593 | L | 90.6 | Very high | 88.5 | Confident | 44 Ų | 44 | 44.8 Ų | 44.8 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 178.7 | -172.8 | 63.2 | 0 | 0 | 0 | 111.6 | Y589 G590 H591 V595 I596 D597 I661 | Y589-L593 HydrophobicContact CE1-CD2 4.22Å; Y589-L593 WeakPolarHBondContact O-CB 3.33Å; Y589-L593 PolarHBondContact O-N 3.43Å; G590-L593 PolarHBondContact O-N 3.27Å; H591-L593 VanDerWaalsContact C-N 3.3Å; H591-L593 PolarHBondContact O-N 3.04Å; L593-V595 VanDerWaalsContact C-N 3.34Å; L593-V595 PolarHBondContact O-N 3.16Å; L593-I596 PolarHBondContact O-N 2.89Å; L593-D597 PolarHBondContact O-N 3.02Å; L593-I661 HydrophobicContact CD1-CG2 4.39Å |
| 594 | I | 92.6 | Very high | 88.6 | Confident | 21 Ų | 21 | 42.6 Ų | 42.6 | 11% | 0.108 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 176 | -69.2 | 162.1 | 0 | 0 | 0 | 111.5 | V545 F548 E549 V552 G590 H591 I596 D597 A598 | V545-I594 HydrophobicContact CG1-CD1 3.43Å; V545-I594 VanDerWaalsContact CG1-CD1 3.43Å; F548-I594 HydrophobicContact CD1-CB 4.23Å; F548-I594 HydrophobicContact CD1-CD1 4Å; F548-I594 HydrophobicContact CD1-CG2 3.94Å; F548-I594 HydrophobicContact CE1-CB 3.99Å; F548-I594 HydrophobicContact CE1-CG2 3.72Å; E549-I594 HydrophobicContact CB-CD1 3.7Å; E549-I594 HydrophobicContact CB-CG1 4.42Å; E549-I594 HydrophobicContact CG-CD1 4.01Å; E549-I594 HydrophobicContact CG-CG1 4.22Å; E549-I594 HydrophobicContact CG-CG2 4.42Å; V552-I594 HydrophobicContact CB-CG2 4.11Å; V552-I594 HydrophobicContact CG1-CG2 4.21Å; V552-I594 HydrophobicContact CG2-CG2 4.17Å; G590-I594 WeakPolarHBondContact O-CD1 3.22Å; G590-I594 WeakPolarHBondContact O-CG1 3.39Å; G590-I594 PolarHBondContact O-N 3.42Å; G590-I594 VanDerWaalsContact O-N 3.16Å; H591-I594 PolarHBondContact O-N 3.03Å; I594-I596 VanDerWaalsContact C-N 3.33Å; I594-I596 PolarHBondContact O-N 3.28Å; I594-D597 PolarHBondContact O-N 2.89Å; I594-A598 WeakPolarHBondContact O-CB 3.39Å; I594-A598 PolarHBondContact O-N 3.45Å |
| 595 | V | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | F548 L578 I581 L582 H591 K592 L593 A598 L599 | F548-V595 HydrophobicContact CE1-CG2 3.93Å; F548-V595 HydrophobicContact CZ-CG2 3.63Å; L578-V595 HydrophobicContact CB-CG1 4.26Å; L578-V595 HydrophobicContact CD2-CG1 4.33Å; L578-V595 HydrophobicContact CD2-CG2 4.1Å; I581-V595 HydrophobicContact CB-CG2 4.23Å; I581-V595 HydrophobicContact CG2-CG2 3.84Å; L582-V595 HydrophobicContact CB-CG1 4.39Å; L582-V595 HydrophobicContact CD1-CG1 4.19Å; H591-V595 WeakPolarHBondContact O-CG2 3.47Å; H591-V595 PolarHBondContact O-N 3.14Å; K592-V595 PolarHBondContact O-N 2.78Å; L593-V595 VanDerWaalsContact C-N 3.34Å; L593-V595 PolarHBondContact O-N 3.16Å; V595-A598 WeakPolarHBondContact O-CB 3.39Å; V595-A598 PolarHBondContact O-N 2.83Å; V595-L599 HydrophobicContact CG1-CD1 3.99Å; V595-L599 HydrophobicContact CG1-CG 4.29Å; V595-L599 WeakPolarHBondContact O-CB 3.23Å; V595-L599 VanDerWaalsContact O-CG 3.27Å; V595-L599 WeakPolarHBondContact O-CG 3.41Å; V595-L599 PolarHBondContact O-N 3.19Å |
| 596 | I | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.8 | -75.7 | -70.7 | 0 | 0 | 0 | 111.6 | L582 K592 L593 I594 A598 L599 K600 L633 I636 L662 S665 | L582-I596 HydrophobicContact CD1-CD1 3.81Å; L582-I596 HydrophobicContact CD1-CG1 3.96Å; K592-I596 WeakPolarHBondContact O-CB 3.49Å; K592-I596 WeakPolarHBondContact O-CG1 3.19Å; K592-I596 PolarHBondContact O-N 2.86Å; L593-I596 PolarHBondContact O-N 2.89Å; I594-I596 VanDerWaalsContact C-N 3.33Å; I594-I596 PolarHBondContact O-N 3.28Å; I596-A598 VanDerWaalsContact C-N 3.29Å; I596-A598 PolarHBondContact O-N 3.3Å; I596-L599 CarbonylContact O-C 3.59Å; I596-L599 PolarHBondContact O-N 3.17Å; I596-L599 VanDerWaalsContact O-N 3.15Å; I596-K600 WeakPolarHBondContact O-CG 3.22Å; I596-K600 PolarHBondContact O-N 2.97Å; I596-L633 HydrophobicContact CD1-CD2 3.64Å; I596-I636 HydrophobicContact CD1-CD1 4.48Å; I596-L662 HydrophobicContact CG1-CD2 4.34Å; I596-S665 VanDerWaalsContact CG2-CB 3.41Å |
| 597 | D | 92.1 | Very high | 90.2 | Very high | 81 Ų | 81 | 35 Ų | 35 | 43% | 0.433 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.8 | -36 | 177.5 | -70.7 | -23.7 | 0 | 0 | 0 | 111.9 | L593 I594 K600 R601 | L593-D597 PolarHBondContact O-N 3.02Å; I594-D597 PolarHBondContact O-N 2.89Å; D597-K600 PolarHBondContact O-N 3.25Å; D597-R601 PolarHBondContact O-N 3.2Å |
| 598 | A | 93 | Very high | 90.5 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V552 L556 I594 V595 I596 K600 R601 I602 | V552-A598 HydrophobicContact CG1-CB 3.42Å; V552-A598 VanDerWaalsContact CG1-CB 3.42Å; L556-A598 HydrophobicContact CD1-CB 3.89Å; L556-A598 HydrophobicContact CD2-CB 4.25Å; L556-A598 HydrophobicContact CG-CB 4.38Å; I594-A598 WeakPolarHBondContact O-CB 3.39Å; I594-A598 PolarHBondContact O-N 3.45Å; V595-A598 WeakPolarHBondContact O-CB 3.39Å; V595-A598 PolarHBondContact O-N 2.83Å; I596-A598 VanDerWaalsContact C-N 3.29Å; I596-A598 PolarHBondContact O-N 3.3Å; A598-K600 VanDerWaalsContact C-N 3.33Å; A598-K600 PolarHBondContact O-N 3.15Å; A598-R601 WeakPolarHBondContact O-CB 3.33Å; A598-R601 PolarHBondContact O-N 3.29Å; A598-R601 VanDerWaalsContact O-N 3.14Å; A598-I602 WeakPolarHBondContact O-CG1 3.35Å; A598-I602 PolarHBondContact O-N 3.42Å |
| 599 | L | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.9 | -36.1 | 175.9 | -69.8 | 177.4 | 0 | 0 | 0 | 112 | F574 L582 V595 I596 R601 I602 C603 L629 L633 | F574-L599 HydrophobicContact CE1-CD2 4.22Å; L582-L599 HydrophobicContact CD2-CD1 3.85Å; V595-L599 HydrophobicContact CG1-CD1 3.99Å; V595-L599 HydrophobicContact CG1-CG 4.29Å; V595-L599 WeakPolarHBondContact O-CB 3.23Å; V595-L599 VanDerWaalsContact O-CG 3.27Å; V595-L599 WeakPolarHBondContact O-CG 3.41Å; V595-L599 PolarHBondContact O-N 3.19Å; I596-L599 CarbonylContact O-C 3.59Å; I596-L599 PolarHBondContact O-N 3.17Å; I596-L599 VanDerWaalsContact O-N 3.15Å; L599-R601 VanDerWaalsContact C-N 3.28Å; L599-R601 PolarHBondContact O-N 2.71Å; L599-I602 HydrophobicContact CD2-CD1 4.24Å; L599-I602 PolarHBondContact O-N 3.48Å; L599-C603 WeakPolarHBondContact O-CB 3.24Å; L599-C603 PolarHBondContact O-N 2.93Å; L599-C603 PolarHBondContact O-SG 3.41Å; L599-L629 HydrophobicContact CD1-CD1 3.69Å; L599-L629 HydrophobicContact CD2-CD1 3.55Å; L599-L629 HydrophobicContact CG-CD1 4.15Å; L599-L633 HydrophobicContact CD1-CD2 4.11Å |
| 600 | K | 93.2 | Very high | 91.2 | Very high | 36 Ų | 36 | 28.8 Ų | 28.8 | 16% | 0.157 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.5 | -41.2 | 172 | -72.7 | -178.1 | -170.8 | -178.9 | 0 | 111.6 | I596 D597 A598 G604 S665 E668 C669 L672 | I596-K600 WeakPolarHBondContact O-CG 3.22Å; I596-K600 PolarHBondContact O-N 2.97Å; D597-K600 PolarHBondContact O-N 3.25Å; A598-K600 VanDerWaalsContact C-N 3.33Å; A598-K600 PolarHBondContact O-N 3.15Å; K600-G604 PolarHBondContact O-N 3.39Å; K600-S665 PolarHBondContact NZ-OG 2.93Å; K600-S665 VanDerWaalsContact NZ-OG 3.14Å; K600-E668 WeakPolarHBondContact CE-OE2 3.46Å; K600-E668 IonicContact NZ-OE2 2.89Å; K600-E668 PolarHBondContact NZ-OE2 3.14Å; K600-C669 WeakPolarHBondContact CG-SG 3.43Å; K600-L672 HydrophobicContact CB-CD1 4.01Å; K600-L672 HydrophobicContact CG-CD1 4.16Å |
| 601 | R | 91.1 | Very high | 91.4 | Very high | 174 Ų | 174 | 27.7 Ų | 27.7 | 66% | 0.657 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -68.4 | -40.4 | 177.7 | -167.9 | 176.4 | -177.7 | 129 | -1.9 | 112.2 | D597 A598 L599 | D597-R601 PolarHBondContact O-N 3.2Å; A598-R601 WeakPolarHBondContact O-CB 3.33Å; A598-R601 PolarHBondContact O-N 3.29Å; A598-R601 VanDerWaalsContact O-N 3.14Å; L599-R601 VanDerWaalsContact C-N 3.28Å; L599-R601 PolarHBondContact O-N 2.71Å |
| 602 | I | 91.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.6 | -47.9 | 178.1 | -65.7 | 160.1 | 0 | 0 | 0 | 110.7 | L556 L559 F574 A598 L599 G604 D605 I612 | L556-I602 HydrophobicContact CD2-CD1 3.73Å; L556-I602 HydrophobicContact CD2-CG1 3.62Å; L559-I602 HydrophobicContact CD2-CD1 4.13Å; L559-I602 HydrophobicContact CD2-CG1 3.78Å; L559-I602 HydrophobicContact CD2-CG2 4.43Å; F574-I602 HydrophobicContact CE1-CD1 4.25Å; F574-I602 HydrophobicContact CZ-CD1 3.8Å; F574-I602 HydrophobicContact CZ-CG2 4.22Å; A598-I602 WeakPolarHBondContact O-CG1 3.35Å; A598-I602 PolarHBondContact O-N 3.42Å; L599-I602 HydrophobicContact CD2-CD1 4.24Å; L599-I602 PolarHBondContact O-N 3.48Å; I602-G604 PolarHBondContact O-N 3.37Å; I602-D605 PolarHBondContact O-N 3.16Å; I602-I612 HydrophobicContact CG2-CD1 3.81Å |
| 603 | C | 90.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.3 | -12.5 | 180 | -62 | 0 | 0 | 0 | 0 | 113.2 | L599 L672 I673 C676 | L599-C603 WeakPolarHBondContact O-CB 3.24Å; L599-C603 PolarHBondContact O-N 2.93Å; L599-C603 PolarHBondContact O-SG 3.41Å; C603-L672 HydrophobicContact CB-CB 4.2Å; C603-L672 CarbonylContact O-C 3.41Å; C603-I673 HydrophobicContact CB-CG1 3.73Å; C603-C676 PolarHBondContact O-SG 3.48Å |
| 604 | G | 88.9 | Confident | 91.7 | Very high | 33 Ų | 33 | 24 Ų | 24 | 34% | 0.34 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K600 I602 C676 | K600-G604 PolarHBondContact O-N 3.39Å; I602-G604 PolarHBondContact O-N 3.37Å; G604-C676 VanDerWaalsContact C-SG 3.58Å |
| 605 | D | 89.8 | Confident | 91.6 | Very high | 66 Ų | 66 | 23.1 Ų | 23.1 | 35% | 0.353 | 12% | 0.117 | S | C | . | . | trans | -109.8 | 105 | 174.5 | 178.9 | -16.6 | 0 | 0 | 0 | 109 | I602 Q607 C608 L609 | I602-D605 PolarHBondContact O-N 3.16Å; D605-Q607 PolarHBondContact O-N 3.34Å; D605-Q607 PolarHBondContact OD1-N 3.31Å; D605-Q607 VanDerWaalsContact OD1-N 3.14Å; D605-C608 HydrophobicContact CB-CB 3.83Å; D605-C608 VanDerWaalsContact CG-CB 3.48Å; D605-C608 PolarHBondContact O-N 2.96Å; D605-C608 PolarHBondContact OD1-N 3.08Å; D605-L609 PolarHBondContact O-N 3.43Å | ||
| 606 | A | 89.4 | Confident | 91.6 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 12% | 0.116 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -40.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L609 V610 C676 W680 | A606-L609 PolarHBondContact O-N 3.34Å; A606-V610 WeakPolarHBondContact O-CG2 3.36Å; A606-V610 PolarHBondContact O-N 3.38Å; A606-V610 VanDerWaalsContact O-N 3.16Å; A606-C676 HydrophobicContact CB-CB 3.78Å; A606-W680 HydrophobicContact CB-CE3 3.65Å; A606-W680 HydrophobicContact CB-CZ3 4.3Å |
| 607 | Q | 90.4 | Very high | 91.6 | Very high | 55 Ų | 55 | 23.2 Ų | 23.2 | 26% | 0.257 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 177.1 | 179.7 | 74.2 | 69.6 | 0 | 0 | 110.3 | D605 L609 V610 D611 W680 C978 A979 | D605-Q607 PolarHBondContact O-N 3.34Å; D605-Q607 PolarHBondContact OD1-N 3.31Å; D605-Q607 VanDerWaalsContact OD1-N 3.14Å; Q607-L609 VanDerWaalsContact C-N 3.25Å; Q607-L609 PolarHBondContact O-N 2.87Å; Q607-V610 PolarHBondContact O-N 3.29Å; Q607-D611 PolarHBondContact NE2-OD1 3.02Å; Q607-D611 WeakPolarHBondContact O-CB 3.42Å; Q607-D611 PolarHBondContact O-N 2.78Å; Q607-W680 HydrophobicContact CB-CH2 4.19Å; Q607-W680 HydrophobicContact CB-CZ3 4.02Å; Q607-C978 PolarHBondContact NE2-SG 3.23Å; Q607-C978 VanDerWaalsContact NE2-SG 3.36Å; Q607-A979 PolarHBondContact NE2-O 3Å |
| 608 | C | 91.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.3 | -37.8 | -179.8 | -170.3 | 0 | 0 | 0 | 0 | 112.2 | D605 I612 | D605-C608 HydrophobicContact CB-CB 3.83Å; D605-C608 VanDerWaalsContact CG-CB 3.48Å; D605-C608 PolarHBondContact O-N 2.96Å; D605-C608 PolarHBondContact OD1-N 3.08Å; C608-I612 WeakPolarHBondContact O-CD1 3.49Å; C608-I612 VanDerWaalsContact O-CG1 3.23Å; C608-I612 WeakPolarHBondContact O-CG1 3.18Å; C608-I612 PolarHBondContact O-N 3.5Å; C608-I612 VanDerWaalsContact O-N 3.08Å |
| 609 | L | 91.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.8 | -44.7 | -178.4 | -169.9 | 66.5 | 0 | 0 | 0 | 112.6 | D605 A606 Q607 I612 Y613 F626 I673 C676 M988 | D605-L609 PolarHBondContact O-N 3.43Å; A606-L609 PolarHBondContact O-N 3.34Å; Q607-L609 VanDerWaalsContact C-N 3.25Å; Q607-L609 PolarHBondContact O-N 2.87Å; L609-I612 PolarHBondContact O-N 3.38Å; L609-Y613 PolarHBondContact O-N 2.75Å; L609-F626 HydrophobicContact CD1-CD2 3.87Å; L609-F626 HydrophobicContact CD1-CE2 3.84Å; L609-F626 HydrophobicContact CD2-CE2 4.35Å; L609-F626 HydrophobicContact CG-CD2 4.3Å; L609-F626 HydrophobicContact CG-CE2 4.02Å; L609-I673 HydrophobicContact CD1-CG1 4.36Å; L609-I673 HydrophobicContact CD2-CB 4.17Å; L609-I673 HydrophobicContact CD2-CG1 4.08Å; L609-I673 HydrophobicContact CD2-CG2 3.93Å; L609-C676 HydrophobicContact CD2-CB 4.25Å; L609-M988 HydrophobicContact CG-CE 4.2Å |
| 610 | V | 91.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.8 | -38.7 | 177.4 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | A606 Q607 I612 Y613 L614 W680 A979 H984 M988 | A606-V610 WeakPolarHBondContact O-CG2 3.36Å; A606-V610 PolarHBondContact O-N 3.38Å; A606-V610 VanDerWaalsContact O-N 3.16Å; Q607-V610 PolarHBondContact O-N 3.29Å; V610-I612 VanDerWaalsContact C-N 3.29Å; V610-I612 PolarHBondContact O-N 2.84Å; V610-Y613 WeakPolarHBondContact O-CB 3.47Å; V610-Y613 PolarHBondContact O-N 3.29Å; V610-L614 HydrophobicContact CG1-CD1 4.45Å; V610-L614 HydrophobicContact CG1-CG 4.37Å; V610-L614 PolarHBondContact O-N 3.42Å; V610-W680 HydrophobicContact CG2-CD2 4.15Å; V610-W680 HydrophobicContact CG2-CG 4.1Å; V610-A979 HydrophobicContact CB-CB 3.94Å; V610-A979 HydrophobicContact CG1-CB 3.38Å; V610-H984 HydrophobicContact CG1-CB 3.83Å; V610-M988 HydrophobicContact CB-SD 4.28Å; V610-M988 HydrophobicContact CG1-SD 4.06Å; V610-M988 HydrophobicContact CG2-CE 4.28Å; V610-M988 HydrophobicContact CG2-SD 4Å |
| 611 | D | 91.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -37 | 175.4 | -69.2 | -13.6 | 0 | 0 | 0 | 112.6 | K563 Q607 Y613 L614 N615 F976 A979 | K563-D611 WeakPolarHBondContact CE-OD2 3.33Å; K563-D611 IonicContact NZ-OD2 3.22Å; K563-D611 PolarHBondContact NZ-OD2 3.07Å; Q607-D611 PolarHBondContact NE2-OD1 3.02Å; Q607-D611 WeakPolarHBondContact O-CB 3.42Å; Q607-D611 PolarHBondContact O-N 2.78Å; D611-Y613 VanDerWaalsContact C-N 3.29Å; D611-L614 PolarHBondContact O-N 2.92Å; D611-N615 WeakPolarHBondContact O-CB 3.33Å; D611-N615 PolarHBondContact O-N 2.88Å; D611-N615 PolarHBondContact O-ND2 3.01Å; D611-F976 HydrophobicContact CB-CZ 3.95Å; D611-A979 WeakPolarHBondContact OD1-CB 3.49Å; D611-A979 PolarHBondContact OD1-N 2.86Å |
| 612 | I | 92.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.1 | -37.4 | 174.7 | -71.6 | 165 | 0 | 0 | 0 | 110.5 | F574 I602 C608 L609 V610 Y616 I625 F626 | F574-I612 HydrophobicContact CE1-CD1 4.44Å; F574-I612 HydrophobicContact CE2-CD1 4.28Å; F574-I612 HydrophobicContact CZ-CD1 3.77Å; I602-I612 HydrophobicContact CG2-CD1 3.81Å; C608-I612 WeakPolarHBondContact O-CD1 3.49Å; C608-I612 VanDerWaalsContact O-CG1 3.23Å; C608-I612 WeakPolarHBondContact O-CG1 3.18Å; C608-I612 PolarHBondContact O-N 3.5Å; C608-I612 VanDerWaalsContact O-N 3.08Å; L609-I612 PolarHBondContact O-N 3.38Å; V610-I612 VanDerWaalsContact C-N 3.29Å; V610-I612 PolarHBondContact O-N 2.84Å; I612-Y616 HydrophobicContact CB-CD2 4.49Å; I612-Y616 HydrophobicContact CG2-CD2 4.34Å; I612-Y616 WeakPolarHBondContact O-CB 3.2Å; I612-Y616 WeakPolarHBondContact O-CD2 3.49Å; I612-Y616 PolarHBondContact O-N 3.44Å; I612-I625 HydrophobicContact CG2-CB 3.94Å; I612-I625 HydrophobicContact CG2-CG2 3.73Å; I612-F626 HydrophobicContact CG2-CB 4.25Å |
| 613 | Y | 93.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -67.1 | -50.8 | 175.6 | 172.8 | -105.8 | 0 | 0 | 0 | 111.8 | L609 V610 D611 N615 D617 C618 F626 P987 M988 L991 | L609-Y613 PolarHBondContact O-N 2.75Å; V610-Y613 WeakPolarHBondContact O-CB 3.47Å; V610-Y613 PolarHBondContact O-N 3.29Å; D611-Y613 VanDerWaalsContact C-N 3.29Å; Y613-N615 PolarHBondContact O-N 3.47Å; Y613-D617 HydrophobicContact CD2-CB 3.67Å; Y613-D617 HydrophobicContact CE2-CB 4.01Å; Y613-D617 WeakPolarHBondContact O-CA 3.4Å; Y613-D617 WeakPolarHBondContact O-CB 3.35Å; Y613-D617 PolarHBondContact O-N 3.26Å; Y613-C618 WeakPolarHBondContact CE1-SG 3.1Å; Y613-C618 VanDerWaalsContact CZ-SG 3.58Å; Y613-C618 PolarHBondContact O-N 2.99Å; Y613-C618 VanDerWaalsContact O-N 3.09Å; Y613-F626 HydrophobicContact CD2-CD1 4.02Å; Y613-F626 HydrophobicContact CD2-CG 4.44Å; Y613-P987 HydrophobicContact CE1-CG 4.22Å; Y613-P987 WeakPolarHBondContact OH-CB 3.14Å; Y613-M988 HydrophobicContact CD1-CG 3.27Å; Y613-M988 HydrophobicContact CD1-SD 3.82Å; Y613-M988 HydrophobicContact CD2-CG 3.63Å; Y613-M988 HydrophobicContact CE1-CG 3.63Å; Y613-M988 HydrophobicContact CE2-CG 3.97Å; Y613-M988 HydrophobicContact CG-CE 4.36Å; Y613-M988 HydrophobicContact CG-CG 3.27Å; Y613-M988 HydrophobicContact CG-SD 3.89Å; Y613-L991 HydrophobicContact CE2-CD2 4.37Å |
| 614 | L | 91.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -65.3 | -41.1 | -176 | -62.7 | -174.4 | 0 | 0 | 0 | 113.8 | V610 D611 C618 F736 A979 H984 | V610-L614 HydrophobicContact CG1-CD1 4.45Å; V610-L614 HydrophobicContact CG1-CG 4.37Å; V610-L614 PolarHBondContact O-N 3.42Å; D611-L614 PolarHBondContact O-N 2.92Å; L614-C618 WeakPolarHBondContact O-CB 3.46Å; L614-F736 HydrophobicContact CB-CD1 4.13Å; L614-F736 HydrophobicContact CB-CE1 3.8Å; L614-F736 HydrophobicContact CB-CZ 4.31Å; L614-F736 HydrophobicContact CD1-CZ 4.47Å; L614-F736 HydrophobicContact CD2-CB 4.05Å; L614-F736 HydrophobicContact CD2-CD1 3.69Å; L614-F736 HydrophobicContact CD2-CD2 4.23Å; L614-F736 HydrophobicContact CD2-CE1 4.15Å; L614-F736 HydrophobicContact CD2-CG 3.75Å; L614-F736 HydrophobicContact CG-CD1 4.42Å; L614-F736 HydrophobicContact CG-CE1 4.4Å; L614-A979 HydrophobicContact CD1-CB 3.41Å; L614-A979 VanDerWaalsContact CD1-CB 3.41Å; L614-A979 HydrophobicContact CG-CB 4.4Å; L614-H984 HydrophobicContact CD2-CB 4.31Å; L614-H984 WeakPolarHBondContact CD2-ND1 3.46Å |
| 615 | N | 90.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | I | π-helix | trans | -85.4 | -15 | -172.5 | -73 | -78.9 | 0 | 0 | 0 | 114 | K567 D611 Y613 D619 F976 T977 | K567-N615 HydrophobicContact CD-CB 4.48Å; K567-N615 WeakPolarHBondContact CE-O 3.23Å; D611-N615 WeakPolarHBondContact O-CB 3.33Å; D611-N615 PolarHBondContact O-N 2.88Å; D611-N615 PolarHBondContact O-ND2 3.01Å; Y613-N615 PolarHBondContact O-N 3.47Å; N615-D619 WeakPolarHBondContact O-CB 3.13Å; N615-F976 HydrophobicContact CB-CD2 4.38Å; N615-F976 HydrophobicContact CB-CE2 4.21Å; N615-F976 WeakPolarHBondContact ND2-CZ 3.47Å; N615-F976 WeakPolarHBondContact OD1-CA 3.18Å; N615-T977 PolarHBondContact ND2-O 2.98Å; N615-T977 PolarHBondContact OD1-N 3.42Å |
| 616 | Y | 93.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | I | π-helix | trans | -125.1 | -58.3 | -173.1 | -56.9 | -87 | 0 | 0 | 0 | 110.8 | K567 I570 E571 I612 C618 D619 M622 A623 I625 K743 | K567-Y616 WeakPolarHBondContact CA-OH 2.95Å; K567-Y616 HydrophobicContact CG-CE1 4.21Å; K567-Y616 WeakPolarHBondContact O-CE1 3.35Å; K567-Y616 PolarHBondContact O-OH 3.07Å; I570-Y616 VanDerWaalsContact CB-OH 3.23Å; I570-Y616 WeakPolarHBondContact CB-OH 3.44Å; I570-Y616 HydrophobicContact CG2-CE1 4.46Å; I570-Y616 HydrophobicContact CG2-CE2 4.28Å; I570-Y616 VanDerWaalsContact CG2-OH 3.24Å; I570-Y616 WeakPolarHBondContact CG2-OH 3.43Å; E571-Y616 HydrophobicContact CB-CD1 4.01Å; E571-Y616 HydrophobicContact CB-CE1 3.77Å; E571-Y616 HydrophobicContact CG-CD1 4.33Å; I612-Y616 HydrophobicContact CB-CD2 4.49Å; I612-Y616 HydrophobicContact CG2-CD2 4.34Å; I612-Y616 WeakPolarHBondContact O-CB 3.2Å; I612-Y616 WeakPolarHBondContact O-CD2 3.49Å; I612-Y616 PolarHBondContact O-N 3.44Å; Y616-C618 PolarHBondContact O-N 2.95Å; Y616-D619 PolarHBondContact O-N 2.71Å; Y616-M622 HydrophobicContact CD1-CB 4.29Å; Y616-M622 HydrophobicContact CD1-CE 3.72Å; Y616-M622 HydrophobicContact CE1-CE 3.66Å; Y616-A623 CarbonylContact C-O 3.2Å; Y616-A623 WeakPolarHBondContact CB-O 3.45Å; Y616-I625 HydrophobicContact CD1-CD1 3.37Å; Y616-I625 HydrophobicContact CD1-CG1 4.32Å; Y616-I625 HydrophobicContact CD2-CD1 4.09Å; Y616-I625 HydrophobicContact CE1-CD1 3.89Å; Y616-I625 HydrophobicContact CG-CD1 3.48Å; Y616-I625 VanDerWaalsContact CG-CD1 3.48Å; Y616-I625 HydrophobicContact CG-CG1 4.21Å; Y616-K743 PolarHBondContact O-NZ 3.04Å |
| 617 | D | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -68.1 | -34.8 | -179.1 | -69.3 | 41.2 | 0 | 0 | 0 | 112.2 | Y613 N624 I625 F626 E627 K740 K743 | Y613-D617 HydrophobicContact CD2-CB 3.67Å; Y613-D617 HydrophobicContact CE2-CB 4.01Å; Y613-D617 WeakPolarHBondContact O-CA 3.4Å; Y613-D617 WeakPolarHBondContact O-CB 3.35Å; Y613-D617 PolarHBondContact O-N 3.26Å; D617-N624 WeakPolarHBondContact CA-OD1 3.37Å; D617-N624 PolarHBondContact O-OD1 3.23Å; D617-N624 VanDerWaalsContact OD1-CA 3.29Å; D617-N624 WeakPolarHBondContact OD1-CA 3.11Å; D617-I625 PolarHBondContact OD1-N 2.97Å; D617-F626 PolarHBondContact OD1-N 3.18Å; D617-F626 WeakPolarHBondContact OD2-CB 3.36Å; D617-F626 PolarHBondContact OD2-N 3.08Å; D617-E627 WeakPolarHBondContact OD2-CB 3.27Å; D617-E627 PolarHBondContact OD2-N 3.46Å; D617-K740 HydrophobicContact CB-CD 4.45Å; D617-K740 VanDerWaalsContact O-CD 3.25Å; D617-K740 WeakPolarHBondContact O-CD 3.12Å; D617-K743 WeakPolarHBondContact O-CD 3.49Å; D617-K743 PolarHBondContact O-NZ 3.34Å |
| 618 | C | 89.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5.5 | 176.1 | -58.6 | 0 | 0 | 0 | 0 | 114.6 | Y613 L614 Y616 F736 R739 | Y613-C618 WeakPolarHBondContact CE1-SG 3.1Å; Y613-C618 VanDerWaalsContact CZ-SG 3.58Å; Y613-C618 PolarHBondContact O-N 2.99Å; Y613-C618 VanDerWaalsContact O-N 3.09Å; L614-C618 WeakPolarHBondContact O-CB 3.46Å; Y616-C618 PolarHBondContact O-N 2.95Å; C618-F736 HydrophobicContact CB-CD1 3.63Å; C618-F736 HydrophobicContact CB-CE1 4.38Å; C618-R739 WeakPolarHBondContact O-CB 3.5Å |
| 619 | D | 85.2 | Confident | 90 | Very high | 23 Ų | 23 | 18 Ų | 18 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | trans | -92.1 | 122.2 | 177 | -169.7 | -39.7 | 0 | 0 | 0 | 109.7 | K567 N615 Y616 S621 M622 K743 S974 | K567-D619 IonicContact NZ-OD2 2.67Å; K567-D619 PolarHBondContact NZ-OD2 2.83Å; N615-D619 WeakPolarHBondContact O-CB 3.13Å; Y616-D619 PolarHBondContact O-N 2.71Å; D619-S621 PolarHBondContact O-N 2.85Å; D619-S621 PolarHBondContact OD1-N 2.86Å; D619-S621 VanDerWaalsContact OD1-N 3.09Å; D619-S621 PolarHBondContact OD1-OG 2.86Å; D619-M622 HydrophobicContact CB-CB 4.02Å; D619-M622 HydrophobicContact CB-CG 3.72Å; D619-M622 VanDerWaalsContact CG-CG 3.47Å; D619-M622 PolarHBondContact O-N 2.75Å; D619-K743 WeakPolarHBondContact O-CD 3.49Å; D619-K743 WeakPolarHBondContact O-CE 3.45Å; D619-K743 PolarHBondContact O-NZ 3.22Å; D619-S974 PolarHBondContact OD2-OG 2.97Å | ||
| 620 | L | 80 | Confident | 90 | Very high | 60 Ų | 60 | 17.9 Ų | 17.9 | 31% | 0.314 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.2 | -175.1 | -75.1 | 149.8 | 0 | 0 | 0 | 113.6 | Q742 K743 R787 | L620-Q742 HydrophobicContact CD2-CB 4.45Å; L620-K743 HydrophobicContact CD2-CB 4.03Å; L620-K743 HydrophobicContact CD2-CG 4.5Å; L620-R787 PolarHBondContact O-NH1 3.05Å; L620-R787 PolarHBondContact O-NH2 2.92Å; L620-R787 VanDerWaalsContact O-NH2 3.14Å |
| 621 | S | 78.5 | Confident | 90 | Very high | 82 Ų | 82 | 19.8 Ų | 19.8 | 57% | 0.573 | 11% | 0.109 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -18.1 | -174.8 | 67.1 | 0 | 0 | 0 | 0 | 114.1 | D619 | D619-S621 PolarHBondContact O-N 2.85Å; D619-S621 PolarHBondContact OD1-N 2.86Å; D619-S621 VanDerWaalsContact OD1-N 3.09Å; D619-S621 PolarHBondContact OD1-OG 2.86Å |
| 622 | M | 84.6 | Confident | 89.8 | Confident | 16 Ų | 16 | 20 Ų | 20 | 8% | 0.079 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -99.4 | 162 | -173.3 | -55.3 | -65.1 | -70.5 | 0 | 0 | 111.5 | K567 E571 Y616 D619 K743 | K567-M622 HydrophobicContact CG-CE 4.35Å; E571-M622 HydrophobicContact CB-CE 3.7Å; E571-M622 HydrophobicContact CG-CE 4.06Å; E571-M622 WeakPolarHBondContact OE2-CE 3.45Å; Y616-M622 HydrophobicContact CD1-CB 4.29Å; Y616-M622 HydrophobicContact CD1-CE 3.72Å; Y616-M622 HydrophobicContact CE1-CE 3.66Å; D619-M622 HydrophobicContact CB-CB 4.02Å; D619-M622 HydrophobicContact CB-CG 3.72Å; D619-M622 VanDerWaalsContact CG-CG 3.47Å; D619-M622 PolarHBondContact O-N 2.75Å; M622-K743 WeakPolarHBondContact O-CE 3.41Å; M622-K743 PolarHBondContact O-NZ 3.19Å |
| 623 | A | 85.2 | Confident | 89.9 | Confident | 23 Ų | 23 | 19.8 Ų | 19.8 | 19% | 0.19 | 11% | 0.109 | C | C | . | . | trans | -71.5 | 150 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E571 K575 Y616 I625 | E571-A623 HydrophobicContact CG-CB 4.16Å; E571-A623 VanDerWaalsContact OE1-CB 3.28Å; E571-A623 WeakPolarHBondContact OE1-CB 3.48Å; E571-A623 PolarHBondContact OE1-N 2.88Å; K575-A623 HydrophobicContact CD-CB 4.47Å; Y616-A623 CarbonylContact C-O 3.2Å; Y616-A623 WeakPolarHBondContact CB-O 3.45Å; A623-I625 VanDerWaalsContact C-N 3.35Å; A623-I625 PolarHBondContact O-N 2.85Å | ||
| 624 | N | 90.2 | Very high | 89.7 | Confident | 22 Ų | 22 | 19.8 Ų | 19.8 | 12% | 0.118 | 11% | 0.109 | C | C | . | . | trans | -75.4 | 81.5 | 170.1 | -61.3 | -38.6 | 0 | 0 | 0 | 111.3 | D617 E627 R628 K740 K743 E747 | D617-N624 WeakPolarHBondContact CA-OD1 3.37Å; D617-N624 PolarHBondContact O-OD1 3.23Å; D617-N624 VanDerWaalsContact OD1-CA 3.29Å; D617-N624 WeakPolarHBondContact OD1-CA 3.11Å; N624-E627 HydrophobicContact CB-CB 3.92Å; N624-E627 PolarHBondContact ND2-OE2 3.06Å; N624-R628 VanDerWaalsContact O-CB 3.25Å; N624-R628 WeakPolarHBondContact O-CB 3.32Å; N624-R628 PolarHBondContact O-N 2.91Å; N624-K740 VanDerWaalsContact CG-NZ 3.34Å; N624-K740 PolarHBondContact ND2-NZ 3.02Å; N624-K740 PolarHBondContact OD1-NZ 2.8Å; N624-K740 VanDerWaalsContact OD1-NZ 3.16Å; N624-K743 WeakPolarHBondContact OD1-CE 3.41Å; N624-K743 PolarHBondContact OD1-NZ 2.98Å; N624-E747 VanDerWaalsContact ND2-CD 3.32Å; N624-E747 PolarHBondContact ND2-OE1 3.04Å; N624-E747 PolarHBondContact ND2-OE2 3.38Å | ||
| 625 | I | 93.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.9 | -45.3 | -177.6 | -61 | 176.8 | 0 | 0 | 0 | 111.1 | E571 F574 I612 Y616 D617 A623 R628 L629 | E571-I625 HydrophobicContact CB-CD1 4.24Å; E571-I625 HydrophobicContact CG-CD1 4.19Å; F574-I625 HydrophobicContact CB-CD1 4.04Å; F574-I625 HydrophobicContact CB-CG1 4.42Å; F574-I625 HydrophobicContact CB-CG2 3.88Å; F574-I625 HydrophobicContact CD1-CG2 3.59Å; F574-I625 HydrophobicContact CE1-CG2 4.2Å; F574-I625 HydrophobicContact CG-CD1 4.44Å; F574-I625 HydrophobicContact CG-CG2 3.75Å; I612-I625 HydrophobicContact CG2-CB 3.94Å; I612-I625 HydrophobicContact CG2-CG2 3.73Å; Y616-I625 HydrophobicContact CD1-CD1 3.37Å; Y616-I625 HydrophobicContact CD1-CG1 4.32Å; Y616-I625 HydrophobicContact CD2-CD1 4.09Å; Y616-I625 HydrophobicContact CE1-CD1 3.89Å; Y616-I625 HydrophobicContact CG-CD1 3.48Å; Y616-I625 VanDerWaalsContact CG-CD1 3.48Å; Y616-I625 HydrophobicContact CG-CG1 4.21Å; D617-I625 PolarHBondContact OD1-N 2.97Å; A623-I625 VanDerWaalsContact C-N 3.35Å; A623-I625 PolarHBondContact O-N 2.85Å; I625-R628 PolarHBondContact O-N 3.31Å; I625-L629 WeakPolarHBondContact O-CB 3.44Å; I625-L629 PolarHBondContact O-N 3.21Å |
| 626 | F | 94.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.4 | -45.6 | -175.5 | 173.7 | -93.5 | 0 | 0 | 0 | 111.5 | L609 I612 Y613 D617 R628 L629 T630 I673 M677 M988 L991 A992 | L609-F626 HydrophobicContact CD1-CD2 3.87Å; L609-F626 HydrophobicContact CD1-CE2 3.84Å; L609-F626 HydrophobicContact CD2-CE2 4.35Å; L609-F626 HydrophobicContact CG-CD2 4.3Å; L609-F626 HydrophobicContact CG-CE2 4.02Å; I612-F626 HydrophobicContact CG2-CB 4.25Å; Y613-F626 HydrophobicContact CD2-CD1 4.02Å; Y613-F626 HydrophobicContact CD2-CG 4.44Å; D617-F626 PolarHBondContact OD1-N 3.18Å; D617-F626 WeakPolarHBondContact OD2-CB 3.36Å; D617-F626 PolarHBondContact OD2-N 3.08Å; F626-R628 VanDerWaalsContact C-N 3.34Å; F626-R628 PolarHBondContact O-N 2.69Å; F626-L629 PolarHBondContact O-N 3.24Å; F626-T630 HydrophobicContact CD1-CG2 4.45Å; F626-T630 HydrophobicContact CD2-CG2 4.36Å; F626-T630 HydrophobicContact CE1-CG2 3.92Å; F626-T630 HydrophobicContact CE2-CG2 3.81Å; F626-T630 HydrophobicContact CZ-CG2 3.52Å; F626-T630 WeakPolarHBondContact O-CG2 3.26Å; F626-T630 PolarHBondContact O-N 3.09Å; F626-T630 PolarHBondContact O-OG1 2.99Å; F626-I673 HydrophobicContact CE2-CG2 4.28Å; F626-I673 HydrophobicContact CZ-CG2 4.38Å; F626-M677 HydrophobicContact CE1-CE 4.19Å; F626-M677 HydrophobicContact CE2-CE 4Å; F626-M677 HydrophobicContact CZ-CE 3.33Å; F626-M988 HydrophobicContact CD2-CE 3.96Å; F626-M988 HydrophobicContact CE1-CB 4.08Å; F626-M988 HydrophobicContact CE1-CE 4.32Å; F626-M988 HydrophobicContact CE1-CG 4.47Å; F626-M988 HydrophobicContact CE2-CE 3.63Å; F626-M988 HydrophobicContact CG-CE 4.47Å; F626-M988 HydrophobicContact CZ-CB 4.31Å; F626-M988 HydrophobicContact CZ-CE 3.86Å; F626-L991 HydrophobicContact CD1-CD2 4.2Å; F626-A992 HydrophobicContact CE1-CB 4.28Å; F626-A992 HydrophobicContact CZ-CB 4.43Å |
| 627 | E | 93.3 | Very high | 89.3 | Confident | 63 Ų | 63 | 26 Ų | 26 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -56.9 | -46.2 | 174.4 | -165.8 | 176 | 159.3 | 0 | 0 | 112.4 | D617 N624 T630 T631 K740 L991 | D617-E627 WeakPolarHBondContact OD2-CB 3.27Å; D617-E627 PolarHBondContact OD2-N 3.46Å; N624-E627 HydrophobicContact CB-CB 3.92Å; N624-E627 PolarHBondContact ND2-OE2 3.06Å; E627-T630 PolarHBondContact O-OG1 3.49Å; E627-T631 VanDerWaalsContact O-CB 3.26Å; E627-T631 WeakPolarHBondContact O-CB 3.39Å; E627-T631 PolarHBondContact O-N 2.94Å; E627-T631 PolarHBondContact O-OG1 3.21Å; E627-K740 IonicContact OE2-NZ 3.26Å; E627-K740 PolarHBondContact OE2-NZ 3.4Å; E627-L991 HydrophobicContact CB-CD2 3.66Å; E627-L991 HydrophobicContact CB-CG 4.26Å; E627-L991 HydrophobicContact CG-CD1 3.96Å; E627-L991 HydrophobicContact CG-CD2 3.8Å; E627-L991 HydrophobicContact CG-CG 3.84Å |
| 628 | R | 91.2 | Very high | 89 | Confident | 69 Ų | 69 | 28.2 Ų | 28.2 | 26% | 0.26 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -68.4 | -43.4 | -180 | -170.2 | 173.9 | 173.6 | -157.2 | 0.8 | 111.3 | K575 L579 E583 N624 I625 F626 T630 T631 D632 | K575-R628 PolarHBondContact O-NH1 2.7Å; L579-R628 HydrophobicContact CD1-CB 4.11Å; L579-R628 HydrophobicContact CD1-CG 3.92Å; E583-R628 IonicContact OE1-CZ 3.49Å; E583-R628 IonicContact OE1-NE 3.06Å; E583-R628 PolarHBondContact OE1-NE 3.14Å; E583-R628 IonicContact OE1-NH2 2.88Å; E583-R628 PolarHBondContact OE1-NH2 2.94Å; E583-R628 IonicContact OE2-CZ 3.91Å; E583-R628 IonicContact OE2-NE 3.29Å; E583-R628 IonicContact OE2-NH2 3.67Å; E583-R628 PolarHBondContact OE2-NH2 3.4Å; N624-R628 VanDerWaalsContact O-CB 3.25Å; N624-R628 WeakPolarHBondContact O-CB 3.32Å; N624-R628 PolarHBondContact O-N 2.91Å; I625-R628 PolarHBondContact O-N 3.31Å; F626-R628 VanDerWaalsContact C-N 3.34Å; F626-R628 PolarHBondContact O-N 2.69Å; R628-T630 PolarHBondContact O-N 2.61Å; R628-T631 PolarHBondContact O-N 3.14Å; R628-D632 WeakPolarHBondContact O-CB 3.37Å; R628-D632 VanDerWaalsContact O-CG 3.27Å; R628-D632 PolarHBondContact O-N 3.15Å |
| 629 | L | 93.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.3 | -53.3 | 175.3 | 171.6 | 63 | 0 | 0 | 0 | 111.8 | L579 L599 I625 F626 T631 D632 L633 | L579-L629 HydrophobicContact CD2-CB 4.36Å; L579-L629 HydrophobicContact CD2-CD1 4.25Å; L599-L629 HydrophobicContact CD1-CD1 3.69Å; L599-L629 HydrophobicContact CD2-CD1 3.55Å; L599-L629 HydrophobicContact CG-CD1 4.15Å; I625-L629 WeakPolarHBondContact O-CB 3.44Å; I625-L629 PolarHBondContact O-N 3.21Å; F626-L629 PolarHBondContact O-N 3.24Å; L629-T631 VanDerWaalsContact C-N 3.33Å; L629-T631 PolarHBondContact O-N 3.19Å; L629-D632 PolarHBondContact O-N 2.76Å; L629-L633 HydrophobicContact CD1-CD1 3.64Å; L629-L633 HydrophobicContact CD1-CG 4.01Å; L629-L633 HydrophobicContact CG-CD1 3.99Å; L629-L633 WeakPolarHBondContact O-CB 3.34Å; L629-L633 VanDerWaalsContact O-CG 3.27Å; L629-L633 WeakPolarHBondContact O-CG 3.47Å; L629-L633 PolarHBondContact O-N 3.44Å |
| 630 | T | 92.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | -179.1 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | F626 E627 R628 A634 I673 A992 F996 | F626-T630 HydrophobicContact CD1-CG2 4.45Å; F626-T630 HydrophobicContact CD2-CG2 4.36Å; F626-T630 HydrophobicContact CE1-CG2 3.92Å; F626-T630 HydrophobicContact CE2-CG2 3.81Å; F626-T630 HydrophobicContact CZ-CG2 3.52Å; F626-T630 WeakPolarHBondContact O-CG2 3.26Å; F626-T630 PolarHBondContact O-N 3.09Å; F626-T630 PolarHBondContact O-OG1 2.99Å; E627-T630 PolarHBondContact O-OG1 3.49Å; R628-T630 PolarHBondContact O-N 2.61Å; T630-A634 VanDerWaalsContact O-CB 3.27Å; T630-A634 WeakPolarHBondContact O-CB 3.35Å; T630-A634 PolarHBondContact O-N 2.87Å; T630-I673 HydrophobicContact CG2-CD1 4.01Å; T630-A992 HydrophobicContact CG2-CB 3.97Å; T630-F996 HydrophobicContact CG2-CE1 3.83Å; T630-F996 HydrophobicContact CG2-CZ 3.71Å |
| 631 | T | 90.8 | Very high | 85.9 | Confident | 42 Ų | 42 | 37.8 Ų | 37.8 | 26% | 0.258 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.3 | -43.8 | 178.2 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | E627 R628 L629 A634 K635 | E627-T631 VanDerWaalsContact O-CB 3.26Å; E627-T631 WeakPolarHBondContact O-CB 3.39Å; E627-T631 PolarHBondContact O-N 2.94Å; E627-T631 PolarHBondContact O-OG1 3.21Å; R628-T631 PolarHBondContact O-N 3.14Å; L629-T631 VanDerWaalsContact C-N 3.33Å; L629-T631 PolarHBondContact O-N 3.19Å; T631-A634 PolarHBondContact O-N 3.24Å; T631-K635 WeakPolarHBondContact O-CG 3.43Å; T631-K635 PolarHBondContact O-N 3.39Å |
| 632 | D | 89.1 | Confident | 84.5 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.8 | -37.8 | -178.5 | -67.6 | -24 | 0 | 0 | 0 | 112.5 | L582 E583 R628 L629 A634 K635 I636 | L582-D632 HydrophobicContact CD2-CB 4.12Å; E583-D632 VanDerWaalsContact CG-OD2 3.3Å; E583-D632 WeakPolarHBondContact CG-OD2 3.15Å; R628-D632 WeakPolarHBondContact O-CB 3.37Å; R628-D632 VanDerWaalsContact O-CG 3.27Å; R628-D632 PolarHBondContact O-N 3.15Å; L629-D632 PolarHBondContact O-N 2.76Å; D632-A634 VanDerWaalsContact C-N 3.31Å; D632-A634 PolarHBondContact O-N 3.01Å; D632-K635 PolarHBondContact O-N 3.3Å; D632-K635 IonicContact OD1-NZ 2.85Å; D632-K635 PolarHBondContact OD1-NZ 3.23Å; D632-I636 WeakPolarHBondContact O-CG1 3.13Å; D632-I636 PolarHBondContact O-N 3.01Å |
| 633 | L | 92.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 169.9 | -72.5 | 174.2 | 0 | 0 | 0 | 111.2 | L582 I596 L599 L629 I636 A637 C669 L670 I673 | L582-L633 HydrophobicContact CD2-CD2 4.48Å; I596-L633 HydrophobicContact CD1-CD2 3.64Å; L599-L633 HydrophobicContact CD1-CD2 4.11Å; L629-L633 HydrophobicContact CD1-CD1 3.64Å; L629-L633 HydrophobicContact CD1-CG 4.01Å; L629-L633 HydrophobicContact CG-CD1 3.99Å; L629-L633 WeakPolarHBondContact O-CB 3.34Å; L629-L633 VanDerWaalsContact O-CG 3.27Å; L629-L633 WeakPolarHBondContact O-CG 3.47Å; L629-L633 PolarHBondContact O-N 3.44Å; L633-I636 PolarHBondContact O-N 3.35Å; L633-A637 VanDerWaalsContact O-CB 3.31Å; L633-A637 WeakPolarHBondContact O-CB 3.4Å; L633-A637 PolarHBondContact O-N 3.3Å; L633-C669 HydrophobicContact CD1-CB 3.67Å; L633-C669 HydrophobicContact CD2-CB 3.86Å; L633-C669 HydrophobicContact CG-CB 4.34Å; L633-L670 HydrophobicContact CB-CD2 3.52Å; L633-L670 HydrophobicContact CB-CG 4.22Å; L633-L670 HydrophobicContact CD1-CD2 4.39Å; L633-I673 HydrophobicContact CD1-CD1 3.91Å |
| 634 | A | 91.5 | Very high | 80.8 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T630 T631 D632 I636 A637 Q638 L670 P995 A999 | T630-A634 VanDerWaalsContact O-CB 3.27Å; T630-A634 WeakPolarHBondContact O-CB 3.35Å; T630-A634 PolarHBondContact O-N 2.87Å; T631-A634 PolarHBondContact O-N 3.24Å; D632-A634 VanDerWaalsContact C-N 3.31Å; D632-A634 PolarHBondContact O-N 3.01Å; A634-I636 VanDerWaalsContact C-N 3.33Å; A634-I636 PolarHBondContact O-N 3.05Å; A634-A637 PolarHBondContact O-N 3.49Å; A634-Q638 VanDerWaalsContact O-CG 3.24Å; A634-Q638 WeakPolarHBondContact O-CG 3.15Å; A634-Q638 PolarHBondContact O-N 2.98Å; A634-L670 HydrophobicContact CB-CD1 4.42Å; A634-P995 HydrophobicContact CB-CB 3.59Å; A634-A999 HydrophobicContact CB-CB 4.16Å |
| 635 | K | 88.7 | Confident | 78.5 | Confident | 99 Ų | 99 | 50 Ų | 50 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 174.4 | -71.3 | 170.2 | -166.3 | 151.5 | 0 | 111.9 | T631 D632 Q638 G639 | T631-K635 WeakPolarHBondContact O-CG 3.43Å; T631-K635 PolarHBondContact O-N 3.39Å; D632-K635 PolarHBondContact O-N 3.3Å; D632-K635 IonicContact OD1-NZ 2.85Å; D632-K635 PolarHBondContact OD1-NZ 3.23Å; K635-Q638 PolarHBondContact O-N 3.41Å; K635-G639 PolarHBondContact O-N 3.27Å |
| 636 | I | 88 | Confident | 76 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 177.4 | -72.8 | 165.1 | 0 | 0 | 0 | 111 | L582 I596 D632 L633 A634 Q638 G639 L662 R663 | L582-I636 HydrophobicContact CD1-CD1 3.2Å; L582-I636 HydrophobicContact CD2-CD1 3.82Å; L582-I636 HydrophobicContact CG-CD1 3.29Å; I596-I636 HydrophobicContact CD1-CD1 4.48Å; D632-I636 WeakPolarHBondContact O-CG1 3.13Å; D632-I636 PolarHBondContact O-N 3.01Å; L633-I636 PolarHBondContact O-N 3.35Å; A634-I636 VanDerWaalsContact C-N 3.33Å; A634-I636 PolarHBondContact O-N 3.05Å; I636-Q638 VanDerWaalsContact C-N 3.32Å; I636-Q638 PolarHBondContact O-N 2.96Å; I636-G639 PolarHBondContact O-N 3.02Å; I636-L662 HydrophobicContact CG2-CB 4.49Å; I636-L662 WeakPolarHBondContact CG2-O 3.22Å; I636-R663 WeakPolarHBondContact O-CG 3.28Å |
| 637 | A | 89.3 | Confident | 73.3 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.4 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L633 A634 L667 L670 A999 | L633-A637 VanDerWaalsContact O-CB 3.31Å; L633-A637 WeakPolarHBondContact O-CB 3.4Å; L633-A637 PolarHBondContact O-N 3.3Å; A634-A637 PolarHBondContact O-N 3.49Å; A637-L667 HydrophobicContact CB-CD2 3.66Å; A637-L667 HydrophobicContact CB-CG 3.71Å; A637-L670 HydrophobicContact CB-CD1 3.81Å; A637-A999 HydrophobicContact CB-CB 3.96Å |
| 638 | Q | 85.8 | Confident | 70.7 | Confident | 46 Ų | 46 | 64.2 Ų | 64.2 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.9 | -34.6 | 176 | -68.8 | 171.4 | 13.9 | 0 | 0 | 112.7 | A634 K635 I636 R640 A999 V1002 | A634-Q638 VanDerWaalsContact O-CG 3.24Å; A634-Q638 WeakPolarHBondContact O-CG 3.15Å; A634-Q638 PolarHBondContact O-N 2.98Å; K635-Q638 PolarHBondContact O-N 3.41Å; I636-Q638 VanDerWaalsContact C-N 3.32Å; I636-Q638 PolarHBondContact O-N 2.96Å; Q638-R640 PolarHBondContact O-N 2.96Å; Q638-A999 HydrophobicContact CG-CB 4.25Å; Q638-V1002 HydrophobicContact CB-CG1 4.24Å; Q638-V1002 HydrophobicContact CG-CB 4.21Å; Q638-V1002 HydrophobicContact CG-CG1 4.4Å; Q638-V1002 HydrophobicContact CG-CG2 4.28Å |
| 639 | G | 75.2 | Confident | 68.2 | Low | 7 Ų | 7 | 68.9 Ų | 68.9 | 7% | 0.072 | 37% | 0.368 | C | S | . | . | trans | 66.1 | 3.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | K635 I636 Q659 R663 | K635-G639 PolarHBondContact O-N 3.27Å; I636-G639 PolarHBondContact O-N 3.02Å; G639-Q659 PolarHBondContact O-NE2 3.23Å; G639-R663 VanDerWaalsContact C-NH2 3.27Å; G639-R663 PolarHBondContact O-NH2 3.43Å | ||
| 640 | R | 64.6 | Low | 65.9 | Low | 99 Ų | 99 | 75.5 Ų | 75.5 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -70.8 | -27 | -178.8 | -68.7 | -175.5 | 178.4 | 179.9 | 0.1 | 113.6 | Q638 L642 V643 D1006 | Q638-R640 PolarHBondContact O-N 2.96Å; R640-L642 VanDerWaalsContact C-N 3.31Å; R640-L642 PolarHBondContact O-N 3.44Å; R640-V643 PolarHBondContact O-N 3.41Å; R640-D1006 IonicContact CZ-OD2 3.4Å; R640-D1006 IonicContact NE-OD2 2.7Å; R640-D1006 IonicContact NH2-OD1 2.66Å; R640-D1006 IonicContact NH2-OD2 3.78Å; R640-D1006 PolarHBondContact NH2-OD2 3.24Å |
| 641 | Y | 51.3 | Low | 63.8 | Low | 179 Ų | 179 | 78.5 Ų | 78.5 | 70% | 0.702 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -67.4 | -24 | -172.4 | -155.9 | -98.3 | 0 | 0 | 0 | 114.5 | ||
| 642 | L | 49.4 | Very low | 62.1 | Low | 85 Ų | 85 | 79.3 Ų | 79.3 | 45% | 0.445 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -89.3 | -17.3 | -179.9 | -67.8 | 174.6 | 0 | 0 | 0 | 114.3 | R640 | R640-L642 VanDerWaalsContact C-N 3.31Å; R640-L642 PolarHBondContact O-N 3.44Å |
| 643 | V | 47.9 | Very low | 61 | Low | 91 Ų | 91 | 83.3 Ų | 83.3 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -30.5 | -179.5 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | R640 E645 H646 | R640-V643 PolarHBondContact O-N 3.41Å; V643-E645 PolarHBondContact O-N 3.17Å; V643-H646 PolarHBondContact O-N 3.41Å |
| 644 | A | 44 | Very low | 59.9 | Low | 89 Ų | 89 | 86.1 Ų | 86.1 | 74% | 0.736 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -27.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 645 | E | 42 | Very low | 58.9 | Low | 133 Ų | 133 | 91.4 Ų | 91.4 | 62% | 0.621 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -13.8 | 179.7 | -75.3 | -162.8 | 146.1 | 0 | 0 | 114.4 | V643 | V643-E645 PolarHBondContact O-N 3.17Š|
| 646 | H | 39.9 | Very low | 58 | Low | 148 Ų | 148 | 91.3 Ų | 91.3 | 69% | 0.685 | 51% | 0.511 | S | S | * | . | trans | -118.5 | 68.3 | -179.9 | -64.5 | 83.2 | 0 | 0 | 0 | 110.3 | V643 N648 | V643-H646 PolarHBondContact O-N 3.41Å; H646-N648 PolarHBondContact O-N 3.35Å | ||
| 647 | G | 37.4 | Very low | 57.4 | Low | 68 Ų | 68 | 95.9 Ų | 95.9 | 70% | 0.701 | 53% | 0.531 | S | S | * | . | trans | -66.5 | 77.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 648 | N | 38.8 | Very low | 57.1 | Low | 149 Ų | 149 | 99.2 Ų | 99.2 | 80% | 0.797 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -163.7 | 111.3 | 160.2 | -91.4 | -25 | 0 | 0 | 0 | 109.5 | H646 T650 | H646-N648 PolarHBondContact O-N 3.35Å; N648-T650 PolarHBondContact O-N 2.97Å |
| 649 | N | 40.1 | Very low | 56.8 | Low | 166 Ų | 166 | 99.3 Ų | 99.3 | 89% | 0.888 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -64.1 | 88.5 | -177.4 | -69.7 | -23.6 | 0 | 0 | 0 | 112.4 | ||
| 650 | T | 43.9 | Very low | 57 | Low | 140 Ų | 140 | 105.3 Ų | 105.3 | 86% | 0.859 | 57% | 0.573 | S | S | * | * | trans | -175.8 | 67.9 | 153 | 22.7 | 0 | 0 | 0 | 0 | 109.9 | N648 | N648-T650 PolarHBondContact O-N 2.97Š| ||
| 651 | S | 49.1 | Very low | 58 | Low | 64 Ų | 64 | 104.3 Ų | 104.3 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | trans | -78.5 | 122 | 164.4 | 37.5 | 0 | 0 | 0 | 0 | 108.8 | Q656 | S651-Q656 PolarHBondContact OG-NE2 2.86Š| ||
| 652 | S | 55.8 | Low | 59.6 | Low | 58 Ų | 58 | 96.9 Ų | 96.9 | 41% | 0.406 | 55% | 0.546 | S | S | . | . | trans | -55.2 | 142.4 | 177.8 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | S654 Q655 Q656 | S652-S654 PolarHBondContact O-N 3.48Å; S652-S654 PolarHBondContact OG-OG 3.39Å; S652-Q655 PolarHBondContact O-N 2.97Å; S652-Q656 PolarHBondContact O-N 3.27Å | ||
| 653 | S | 64.6 | Low | 61.4 | Low | 90 Ų | 90 | 96.1 Ų | 96.1 | 63% | 0.629 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -48 | -33.3 | 179.9 | 50.6 | 0 | 0 | 0 | 0 | 114 | Q657 | S653-Q657 PolarHBondContact O-N 3.34Å |
| 654 | S | 71.1 | Confident | 63.3 | Low | 59 Ų | 59 | 92.8 Ų | 92.8 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 175.6 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | S652 Q658 | S652-S654 PolarHBondContact O-N 3.48Å; S652-S654 PolarHBondContact OG-OG 3.39Å; S654-Q658 WeakPolarHBondContact O-CG 3.4Å; S654-Q658 PolarHBondContact O-N 3.43Å; S654-Q658 VanDerWaalsContact O-N 3.14Å |
| 655 | Q | 71.1 | Confident | 65.4 | Low | 112 Ų | 112 | 89 Ų | 89 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.7 | -36 | 179.2 | -76 | 179.8 | -11.3 | 0 | 0 | 111.6 | S652 Q658 Q659 | S652-Q655 PolarHBondContact O-N 2.97Å; Q655-Q658 PolarHBondContact O-N 3.41Å; Q655-Q659 PolarHBondContact O-N 2.95Å |
| 656 | Q | 69.7 | Low | 67.8 | Low | 98 Ų | 98 | 82.7 Ų | 82.7 | 46% | 0.458 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 176 | -67.1 | -177.8 | -4.4 | 0 | 0 | 111.3 | S651 S652 Q659 Q660 | S651-Q656 PolarHBondContact OG-NE2 2.86Å; S652-Q656 PolarHBondContact O-N 3.27Å; Q656-Q659 PolarHBondContact O-N 2.79Å; Q656-Q660 WeakPolarHBondContact O-CG 3.48Å; Q656-Q660 PolarHBondContact O-N 3.33Å |
| 657 | Q | 75.4 | Confident | 70.3 | Confident | 127 Ų | 127 | 75.8 Ų | 75.8 | 59% | 0.593 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61 | -45.2 | 174.6 | -74.2 | 177.9 | -4.6 | 0 | 0 | 112.1 | S653 Q659 Q660 I661 | S653-Q657 PolarHBondContact O-N 3.34Å; Q657-Q659 VanDerWaalsContact C-N 3.32Å; Q657-Q659 PolarHBondContact O-N 3.08Å; Q657-Q660 PolarHBondContact O-N 3.36Å; Q657-I661 WeakPolarHBondContact O-CG1 3.33Å; Q657-I661 PolarHBondContact O-N 3.42Å |
| 658 | Q | 81.3 | Confident | 73 | Confident | 76 Ų | 76 | 76 Ų | 76 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 176.1 | -76.3 | 176.8 | 3.3 | 0 | 0 | 112.2 | Y589 S654 Q655 I661 L662 | Y589-Q658 HydrophobicContact CD1-CG 3.97Å; Y589-Q658 HydrophobicContact CD2-CB 3.6Å; Y589-Q658 HydrophobicContact CD2-CG 3.9Å; Y589-Q658 HydrophobicContact CE1-CG 3.9Å; Y589-Q658 HydrophobicContact CE2-CB 3.53Å; Y589-Q658 HydrophobicContact CE2-CG 3.82Å; Y589-Q658 VanDerWaalsContact CE2-O 3.3Å; Y589-Q658 WeakPolarHBondContact CE2-O 3.24Å; Y589-Q658 HydrophobicContact CG-CB 4.14Å; Y589-Q658 HydrophobicContact CG-CG 3.97Å; S654-Q658 WeakPolarHBondContact O-CG 3.4Å; S654-Q658 PolarHBondContact O-N 3.43Å; S654-Q658 VanDerWaalsContact O-N 3.14Å; Q655-Q658 PolarHBondContact O-N 3.41Å; Q658-I661 PolarHBondContact O-N 2.99Å; Q658-L662 PolarHBondContact O-N 3Å; Q658-L662 VanDerWaalsContact O-N 3.17Å |
| 659 | Q | 79.3 | Confident | 75.6 | Confident | 48 Ų | 48 | 69 Ų | 69 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 178.1 | -168.9 | 177.2 | 8.1 | 0 | 0 | 112.3 | G639 Q655 Q656 Q657 L662 R663 | G639-Q659 PolarHBondContact O-NE2 3.23Å; Q655-Q659 PolarHBondContact O-N 2.95Å; Q656-Q659 PolarHBondContact O-N 2.79Å; Q657-Q659 VanDerWaalsContact C-N 3.32Å; Q657-Q659 PolarHBondContact O-N 3.08Å; Q659-L662 PolarHBondContact O-N 3.5Å; Q659-R663 WeakPolarHBondContact O-CG 3.45Å; Q659-R663 PolarHBondContact O-N 3.13Å |
| 660 | Q | 80.5 | Confident | 78.3 | Confident | 133 Ų | 133 | 61 Ų | 61 | 62% | 0.621 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.1 | -42.7 | 175.5 | -75.5 | 177.1 | -18.4 | 0 | 0 | 112 | Q656 Q657 L662 R663 S664 | Q656-Q660 WeakPolarHBondContact O-CG 3.48Å; Q656-Q660 PolarHBondContact O-N 3.33Å; Q657-Q660 PolarHBondContact O-N 3.36Å; Q660-L662 VanDerWaalsContact C-N 3.35Å; Q660-L662 PolarHBondContact O-N 3.39Å; Q660-R663 PolarHBondContact O-N 3.15Å; Q660-S664 PolarHBondContact O-N 3.24Å |
| 661 | I | 85.1 | Confident | 80.8 | Confident | 77 Ų | 77 | 54.6 Ų | 54.6 | 40% | 0.395 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 177.1 | -65.8 | 164.4 | 0 | 0 | 0 | 111.2 | Y589 L593 Q657 Q658 S665 | Y589-I661 WeakPolarHBondContact OH-CG2 3.46Å; L593-I661 HydrophobicContact CD1-CG2 4.39Å; Q657-I661 WeakPolarHBondContact O-CG1 3.33Å; Q657-I661 PolarHBondContact O-N 3.42Å; Q658-I661 PolarHBondContact O-N 2.99Å; I661-S665 WeakPolarHBondContact O-CB 3.31Å; I661-S665 PolarHBondContact O-N 2.99Å; I661-S665 PolarHBondContact O-OG 3.24Å |
| 662 | L | 86.1 | Confident | 83 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 176.7 | -75.3 | 172.8 | 0 | 0 | 0 | 112.3 | Y589 K592 I596 I636 Q658 Q659 Q660 S665 G666 | Y589-L662 HydrophobicContact CD2-CD1 3.81Å; Y589-L662 HydrophobicContact CD2-CG 4.12Å; Y589-L662 HydrophobicContact CE2-CD1 4.05Å; Y589-L662 HydrophobicContact CE2-CD2 4.37Å; Y589-L662 HydrophobicContact CE2-CG 3.83Å; K592-L662 HydrophobicContact CB-CD1 4.39Å; K592-L662 HydrophobicContact CB-CD2 4.09Å; K592-L662 HydrophobicContact CD-CD1 4.4Å; I596-L662 HydrophobicContact CG1-CD2 4.34Å; I636-L662 HydrophobicContact CG2-CB 4.49Å; I636-L662 WeakPolarHBondContact CG2-O 3.22Å; Q658-L662 PolarHBondContact O-N 3Å; Q658-L662 VanDerWaalsContact O-N 3.17Å; Q659-L662 PolarHBondContact O-N 3.5Å; Q660-L662 VanDerWaalsContact C-N 3.35Å; Q660-L662 PolarHBondContact O-N 3.39Å; L662-S665 PolarHBondContact O-N 2.91Å; L662-G666 PolarHBondContact O-N 3.4Å |
| 663 | R | 87 | Confident | 84.9 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 26% | 0.26 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 175.9 | -73.6 | 176.8 | -176 | -152.3 | -2.4 | 111.4 | I636 G639 Q659 Q660 S665 G666 L667 | I636-R663 WeakPolarHBondContact O-CG 3.28Å; G639-R663 VanDerWaalsContact C-NH2 3.27Å; G639-R663 PolarHBondContact O-NH2 3.43Å; Q659-R663 WeakPolarHBondContact O-CG 3.45Å; Q659-R663 PolarHBondContact O-N 3.13Å; Q660-R663 PolarHBondContact O-N 3.15Å; R663-S665 VanDerWaalsContact C-N 3.31Å; R663-S665 PolarHBondContact O-N 3.18Å; R663-G666 PolarHBondContact O-N 2.81Å; R663-L667 PolarHBondContact O-N 3.47Å |
| 664 | S | 88 | Confident | 86.4 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 178.6 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | Q660 L667 E668 | Q660-S664 PolarHBondContact O-N 3.24Å; S664-L667 PolarHBondContact O-N 2.88Å; S664-E668 PolarHBondContact O-N 3.22Å |
| 665 | S | 87.6 | Confident | 87.5 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.2 | -34 | 179.1 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | I596 K600 I661 L662 R663 E668 C669 | I596-S665 VanDerWaalsContact CG2-CB 3.41Å; K600-S665 PolarHBondContact NZ-OG 2.93Å; K600-S665 VanDerWaalsContact NZ-OG 3.14Å; I661-S665 WeakPolarHBondContact O-CB 3.31Å; I661-S665 PolarHBondContact O-N 2.99Å; I661-S665 PolarHBondContact O-OG 3.24Å; L662-S665 PolarHBondContact O-N 2.91Å; R663-S665 VanDerWaalsContact C-N 3.31Å; R663-S665 PolarHBondContact O-N 3.18Å; S665-E668 PolarHBondContact O-N 3.3Å; S665-C669 PolarHBondContact O-N 3.48Å; S665-C669 VanDerWaalsContact O-N 3.08Å; S665-C669 PolarHBondContact O-SG 3.03Å; S665-C669 VanDerWaalsContact O-SG 3.34Å |
| 666 | G | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -45.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L662 R663 E668 C669 L670 | L662-G666 PolarHBondContact O-N 3.4Å; R663-G666 PolarHBondContact O-N 2.81Å; G666-E668 VanDerWaalsContact C-N 3.34Å; G666-E668 PolarHBondContact O-N 3.5Å; G666-C669 WeakPolarHBondContact O-CB 3.38Å; G666-C669 PolarHBondContact O-N 3.42Å; G666-L670 WeakPolarHBondContact O-CG 3.39Å; G666-L670 PolarHBondContact O-N 3.47Å; G666-L670 VanDerWaalsContact O-N 3.15Å |
| 667 | L | 92.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -43.6 | 174 | -76.9 | 169 | 0 | 0 | 0 | 112.2 | A637 R663 S664 C669 L670 V671 F1000 V1012 L1015 | A637-L667 HydrophobicContact CB-CD2 3.66Å; A637-L667 HydrophobicContact CB-CG 3.71Å; R663-L667 PolarHBondContact O-N 3.47Å; S664-L667 PolarHBondContact O-N 2.88Å; L667-C669 VanDerWaalsContact C-N 3.33Å; L667-C669 PolarHBondContact O-N 2.95Å; L667-L670 WeakPolarHBondContact O-CB 3.38Å; L667-L670 PolarHBondContact O-N 2.86Å; L667-L670 VanDerWaalsContact O-N 3.13Å; L667-V671 WeakPolarHBondContact O-CG2 3.49Å; L667-V671 PolarHBondContact O-N 3.49Å; L667-F1000 HydrophobicContact CD2-CD1 3.88Å; L667-F1000 HydrophobicContact CD2-CE1 4.14Å; L667-V1012 HydrophobicContact CD1-CB 4.48Å; L667-V1012 HydrophobicContact CD1-CG1 3.65Å; L667-L1015 HydrophobicContact CB-CB 4.48Å; L667-L1015 HydrophobicContact CB-CD1 4.32Å |
| 668 | E | 94.3 | Very high | 90.4 | Very high | 74 Ų | 74 | 31.4 Ų | 31.4 | 35% | 0.346 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -57.5 | -44.8 | 175.7 | -169.9 | -177.8 | 175.9 | 0 | 0 | 111.4 | K600 S664 S665 G666 L670 V671 L672 L1015 | K600-E668 WeakPolarHBondContact CE-OE2 3.46Å; K600-E668 IonicContact NZ-OE2 2.89Å; K600-E668 PolarHBondContact NZ-OE2 3.14Å; S664-E668 PolarHBondContact O-N 3.22Å; S665-E668 PolarHBondContact O-N 3.3Å; G666-E668 VanDerWaalsContact C-N 3.34Å; G666-E668 PolarHBondContact O-N 3.5Å; E668-L670 VanDerWaalsContact C-N 3.33Å; E668-L670 PolarHBondContact O-N 3.27Å; E668-V671 PolarHBondContact O-N 3.24Å; E668-L672 HydrophobicContact CG-CD1 4.42Å; E668-L672 VanDerWaalsContact O-CG 3.26Å; E668-L672 WeakPolarHBondContact O-CG 3.46Å; E668-L672 PolarHBondContact O-N 3.44Å; E668-L1015 HydrophobicContact CB-CD1 4.27Å; E668-L1015 HydrophobicContact CB-CD2 4.45Å; E668-L1015 HydrophobicContact CG-CD2 4.49Å |
| 669 | C | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.6 | -42.1 | 174.3 | -66.1 | 0 | 0 | 0 | 0 | 112.8 | K600 L633 S665 G666 L667 V671 L672 I673 | K600-C669 WeakPolarHBondContact CG-SG 3.43Å; L633-C669 HydrophobicContact CD1-CB 3.67Å; L633-C669 HydrophobicContact CD2-CB 3.86Å; L633-C669 HydrophobicContact CG-CB 4.34Å; S665-C669 PolarHBondContact O-N 3.48Å; S665-C669 VanDerWaalsContact O-N 3.08Å; S665-C669 PolarHBondContact O-SG 3.03Å; S665-C669 VanDerWaalsContact O-SG 3.34Å; G666-C669 WeakPolarHBondContact O-CB 3.38Å; G666-C669 PolarHBondContact O-N 3.42Å; L667-C669 VanDerWaalsContact C-N 3.33Å; L667-C669 PolarHBondContact O-N 2.95Å; C669-V671 VanDerWaalsContact C-N 3.34Å; C669-V671 PolarHBondContact O-N 3Å; C669-L672 WeakPolarHBondContact O-CB 3.43Å; C669-L672 PolarHBondContact O-N 3.26Å; C669-I673 WeakPolarHBondContact O-CG1 3.45Å; C669-I673 PolarHBondContact O-N 3.33Å |
| 670 | L | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 178.2 | -60.3 | 177.4 | 0 | 0 | 0 | 111.8 | L633 A634 A637 G666 L667 E668 I673 L674 F996 A999 F1000 | L633-L670 HydrophobicContact CB-CD2 3.52Å; L633-L670 HydrophobicContact CB-CG 4.22Å; L633-L670 HydrophobicContact CD1-CD2 4.39Å; A634-L670 HydrophobicContact CB-CD1 4.42Å; A637-L670 HydrophobicContact CB-CD1 3.81Å; G666-L670 WeakPolarHBondContact O-CG 3.39Å; G666-L670 PolarHBondContact O-N 3.47Å; G666-L670 VanDerWaalsContact O-N 3.15Å; L667-L670 WeakPolarHBondContact O-CB 3.38Å; L667-L670 PolarHBondContact O-N 2.86Å; L667-L670 VanDerWaalsContact O-N 3.13Å; E668-L670 VanDerWaalsContact C-N 3.33Å; E668-L670 PolarHBondContact O-N 3.27Å; L670-I673 PolarHBondContact O-N 3.06Å; L670-L674 PolarHBondContact O-N 3.37Å; L670-L674 VanDerWaalsContact O-N 3.14Å; L670-F996 HydrophobicContact CD2-CD1 3.77Å; L670-F996 HydrophobicContact CD2-CE1 3.48Å; L670-F996 VanDerWaalsContact CD2-CE1 3.48Å; L670-F996 HydrophobicContact CD2-CZ 4.4Å; L670-A999 HydrophobicContact CD1-CB 3.64Å; L670-F1000 HydrophobicContact CB-CE1 4.08Å; L670-F1000 HydrophobicContact CB-CZ 3.97Å; L670-F1000 HydrophobicContact CD1-CE1 4.47Å |
| 671 | V | 96.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.03 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L667 E668 C669 I673 L674 R675 F1000 L1015 E1018 Y1022 | L667-V671 WeakPolarHBondContact O-CG2 3.49Å; L667-V671 PolarHBondContact O-N 3.49Å; E668-V671 PolarHBondContact O-N 3.24Å; C669-V671 VanDerWaalsContact C-N 3.34Å; C669-V671 PolarHBondContact O-N 3Å; V671-I673 PolarHBondContact O-N 3.34Å; V671-L674 PolarHBondContact O-N 3.04Å; V671-R675 WeakPolarHBondContact O-CB 3.43Å; V671-R675 PolarHBondContact O-N 3.37Å; V671-F1000 HydrophobicContact CG2-CE1 4.08Å; V671-F1000 HydrophobicContact CG2-CZ 4.36Å; V671-L1015 HydrophobicContact CG2-CB 4.28Å; V671-L1015 HydrophobicContact CG2-CD2 4.27Å; V671-L1015 WeakPolarHBondContact CG2-O 3.44Å; V671-E1018 HydrophobicContact CG1-CG 3.85Å; V671-Y1022 HydrophobicContact CG1-CD2 4.3Å; V671-Y1022 HydrophobicContact CG1-CE2 4.32Å |
| 672 | L | 95.3 | Very high | 90.7 | Very high | 16 Ų | 16 | 28.5 Ų | 28.5 | 8% | 0.084 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 175.7 | -70.4 | 172.4 | 0 | 0 | 0 | 111.8 | K600 C603 E668 C669 L674 R675 C676 | K600-L672 HydrophobicContact CB-CD1 4.01Å; K600-L672 HydrophobicContact CG-CD1 4.16Å; C603-L672 HydrophobicContact CB-CB 4.2Å; C603-L672 CarbonylContact O-C 3.41Å; E668-L672 HydrophobicContact CG-CD1 4.42Å; E668-L672 VanDerWaalsContact O-CG 3.26Å; E668-L672 WeakPolarHBondContact O-CG 3.46Å; E668-L672 PolarHBondContact O-N 3.44Å; C669-L672 WeakPolarHBondContact O-CB 3.43Å; C669-L672 PolarHBondContact O-N 3.26Å; L672-L674 PolarHBondContact O-N 3.24Å; L672-R675 PolarHBondContact O-N 2.81Å; L672-C676 WeakPolarHBondContact O-CB 3.26Å; L672-C676 PolarHBondContact O-N 2.87Å; L672-C676 PolarHBondContact O-SG 3.27Å |
| 673 | I | 96.3 | Very high | 90 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | 175.4 | -71.1 | 170.3 | 0 | 0 | 0 | 110.8 | C603 L609 F626 T630 L633 C669 L670 V671 R675 C676 M677 F996 | C603-I673 HydrophobicContact CB-CG1 3.73Å; L609-I673 HydrophobicContact CD1-CG1 4.36Å; L609-I673 HydrophobicContact CD2-CB 4.17Å; L609-I673 HydrophobicContact CD2-CG1 4.08Å; L609-I673 HydrophobicContact CD2-CG2 3.93Å; F626-I673 HydrophobicContact CE2-CG2 4.28Å; F626-I673 HydrophobicContact CZ-CG2 4.38Å; T630-I673 HydrophobicContact CG2-CD1 4.01Å; L633-I673 HydrophobicContact CD1-CD1 3.91Å; C669-I673 WeakPolarHBondContact O-CG1 3.45Å; C669-I673 PolarHBondContact O-N 3.33Å; L670-I673 PolarHBondContact O-N 3.06Å; V671-I673 PolarHBondContact O-N 3.34Å; I673-R675 VanDerWaalsContact C-N 3.33Å; I673-R675 PolarHBondContact O-N 3.44Å; I673-C676 PolarHBondContact O-N 2.95Å; I673-M677 HydrophobicContact CG2-CE 3.93Å; I673-M677 HydrophobicContact CG2-SD 4.12Å; I673-M677 WeakPolarHBondContact O-CG 3.28Å; I673-M677 PolarHBondContact O-N 3.48Å; I673-F996 HydrophobicContact CB-CZ 4.36Å; I673-F996 HydrophobicContact CG2-CE2 4.04Å; I673-F996 HydrophobicContact CG2-CZ 3.69Å |
| 674 | L | 95.8 | Very high | 89 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -36.4 | 179.3 | -74 | 169.8 | 0 | 0 | 0 | 112.7 | L670 V671 L672 M677 T678 F989 F996 F1000 G1019 A1023 I1026 | L670-L674 PolarHBondContact O-N 3.37Å; L670-L674 VanDerWaalsContact O-N 3.14Å; V671-L674 PolarHBondContact O-N 3.04Å; L672-L674 PolarHBondContact O-N 3.24Å; L674-M677 HydrophobicContact CD2-SD 4.36Å; L674-M677 PolarHBondContact O-N 2.94Å; L674-T678 WeakPolarHBondContact O-CB 3.26Å; L674-T678 PolarHBondContact O-N 2.77Å; L674-T678 PolarHBondContact O-OG1 3.48Å; L674-F989 HydrophobicContact CD2-CD2 3.8Å; L674-F989 HydrophobicContact CD2-CE2 3.63Å; L674-F996 HydrophobicContact CD1-CD2 3.83Å; L674-F996 HydrophobicContact CD1-CE2 4.24Å; L674-F996 HydrophobicContact CD2-CD2 3.68Å; L674-F996 HydrophobicContact CD2-CE2 3.66Å; L674-F996 HydrophobicContact CG-CD2 3.79Å; L674-F996 HydrophobicContact CG-CE2 3.71Å; L674-F1000 HydrophobicContact CD1-CE2 3.53Å; L674-F1000 HydrophobicContact CD1-CZ 3.68Å; L674-G1019 WeakPolarHBondContact CD1-O 3.43Å; L674-A1023 HydrophobicContact CD1-CB 4.24Å; L674-A1023 HydrophobicContact CD2-CB 4.33Å; L674-I1026 HydrophobicContact CB-CD1 4.44Å; L674-I1026 HydrophobicContact CD2-CD1 3.61Å |
| 675 | R | 94.5 | Very high | 87.7 | Confident | 84 Ų | 84 | 36.7 Ų | 36.7 | 32% | 0.317 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 175 | -170.6 | 179.5 | 72.9 | -153.9 | -0 | 110.5 | V671 L672 I673 M677 T678 E679 Y1022 | V671-R675 WeakPolarHBondContact O-CB 3.43Å; V671-R675 PolarHBondContact O-N 3.37Å; L672-R675 PolarHBondContact O-N 2.81Å; I673-R675 VanDerWaalsContact C-N 3.33Å; I673-R675 PolarHBondContact O-N 3.44Å; R675-M677 VanDerWaalsContact C-N 3.35Å; R675-M677 PolarHBondContact O-N 2.89Å; R675-T678 CarbonylContact O-C 3.45Å; R675-T678 WeakPolarHBondContact O-CA 3.02Å; R675-T678 WeakPolarHBondContact O-CB 3.48Å; R675-T678 PolarHBondContact O-N 3.45Å; R675-E679 HydrophobicContact CG-CG 4.43Å; R675-E679 WeakPolarHBondContact CG-OE1 3.42Å; R675-E679 IonicContact NE-OE1 2.67Å; R675-E679 PolarHBondContact NE-OE1 3.06Å; R675-E679 WeakPolarHBondContact O-CG 3.3Å; R675-E679 PolarHBondContact O-N 2.75Å; R675-Y1022 HydrophobicContact CB-CD2 4.4Å; R675-Y1022 HydrophobicContact CB-CE1 4.48Å; R675-Y1022 HydrophobicContact CB-CE2 4.06Å; R675-Y1022 HydrophobicContact CG-CE1 4.13Å; R675-Y1022 HydrophobicContact CG-CE2 4.16Å |
| 676 | C | 92.7 | Very high | 86.2 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 177.4 | -74.5 | 0 | 0 | 0 | 0 | 112.6 | C603 G604 A606 L609 L672 I673 T678 E679 W680 | C603-C676 PolarHBondContact O-SG 3.48Å; G604-C676 VanDerWaalsContact C-SG 3.58Å; A606-C676 HydrophobicContact CB-CB 3.78Å; L609-C676 HydrophobicContact CD2-CB 4.25Å; L672-C676 WeakPolarHBondContact O-CB 3.26Å; L672-C676 PolarHBondContact O-N 2.87Å; L672-C676 PolarHBondContact O-SG 3.27Å; I673-C676 PolarHBondContact O-N 2.95Å; C676-T678 VanDerWaalsContact C-N 3.3Å; C676-T678 PolarHBondContact O-N 2.84Å; C676-E679 PolarHBondContact O-N 2.63Å; C676-W680 VanDerWaalsContact O-CB 3.31Å; C676-W680 WeakPolarHBondContact O-CB 3.36Å; C676-W680 PolarHBondContact O-N 3.43Å |
| 677 | M | 93.6 | Very high | 84.4 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.4 | -39.7 | 171.3 | -76.3 | 176.6 | 170.3 | 0 | 0 | 112.6 | F626 I673 L674 R675 S681 V985 M988 F989 I1026 | F626-M677 HydrophobicContact CE1-CE 4.19Å; F626-M677 HydrophobicContact CE2-CE 4Å; F626-M677 HydrophobicContact CZ-CE 3.33Å; I673-M677 HydrophobicContact CG2-CE 3.93Å; I673-M677 HydrophobicContact CG2-SD 4.12Å; I673-M677 WeakPolarHBondContact O-CG 3.28Å; I673-M677 PolarHBondContact O-N 3.48Å; L674-M677 HydrophobicContact CD2-SD 4.36Å; L674-M677 PolarHBondContact O-N 2.94Å; R675-M677 VanDerWaalsContact C-N 3.35Å; R675-M677 PolarHBondContact O-N 2.89Å; M677-S681 WeakPolarHBondContact O-CB 3.39Å; M677-S681 PolarHBondContact O-N 3.15Å; M677-S681 VanDerWaalsContact O-N 3.17Å; M677-S681 PolarHBondContact O-OG 3.35Å; M677-V985 HydrophobicContact CB-CG1 3.74Å; M677-V985 HydrophobicContact CG-CG1 4.08Å; M677-M988 HydrophobicContact CE-CB 3.58Å; M677-M988 HydrophobicContact CE-CE 3.86Å; M677-F989 HydrophobicContact SD-CB 4.34Å; M677-F989 HydrophobicContact SD-CD2 4.46Å; M677-I1026 HydrophobicContact CB-CD1 3.57Å; M677-I1026 HydrophobicContact CB-CG1 4.37Å; M677-I1026 HydrophobicContact SD-CD1 4.25Å |
| 678 | T | 90.3 | Very high | 82.3 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.5 | -43.4 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | L674 R675 C676 W680 S681 Q682 Y1022 R1025 I1026 | L674-T678 WeakPolarHBondContact O-CB 3.26Å; L674-T678 PolarHBondContact O-N 2.77Å; L674-T678 PolarHBondContact O-OG1 3.48Å; R675-T678 CarbonylContact O-C 3.45Å; R675-T678 WeakPolarHBondContact O-CA 3.02Å; R675-T678 WeakPolarHBondContact O-CB 3.48Å; R675-T678 PolarHBondContact O-N 3.45Å; C676-T678 VanDerWaalsContact C-N 3.3Å; C676-T678 PolarHBondContact O-N 2.84Å; T678-W680 VanDerWaalsContact C-N 3.32Å; T678-W680 PolarHBondContact O-N 3.47Å; T678-S681 CarbonylContact O-C 3.55Å; T678-S681 PolarHBondContact O-N 2.99Å; T678-S681 PolarHBondContact O-OG 2.81Å; T678-Q682 PolarHBondContact O-N 3.07Å; T678-Y1022 HydrophobicContact CG2-CD1 4.07Å; T678-Y1022 HydrophobicContact CG2-CE1 4.41Å; T678-Y1022 WeakPolarHBondContact OG1-CD1 3.42Å; T678-R1025 HydrophobicContact CG2-CG 3.71Å; T678-I1026 WeakPolarHBondContact OG1-CG1 3.45Å |
| 679 | E | 86.5 | Confident | 79.9 | Confident | 91 Ų | 91 | 44.6 Ų | 44.6 | 43% | 0.425 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.2 | -43.7 | 175.2 | -72.7 | 167.4 | -174.7 | 0 | 0 | 110.7 | R675 C676 S681 Q682 | R675-E679 HydrophobicContact CG-CG 4.43Å; R675-E679 WeakPolarHBondContact CG-OE1 3.42Å; R675-E679 IonicContact NE-OE1 2.67Å; R675-E679 PolarHBondContact NE-OE1 3.06Å; R675-E679 WeakPolarHBondContact O-CG 3.3Å; R675-E679 PolarHBondContact O-N 2.75Å; C676-E679 PolarHBondContact O-N 2.63Å; E679-S681 VanDerWaalsContact C-N 3.29Å; E679-S681 PolarHBondContact O-N 3.3Å; E679-Q682 WeakPolarHBondContact O-CB 3.38Å; E679-Q682 PolarHBondContact O-N 3.19Å |
| 680 | W | 86 | Confident | 77.5 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.1 | -25.2 | 178.8 | -158.3 | -96.4 | 0 | 0 | 0 | 114 | A606 Q607 V610 C676 T678 A979 H981 C982 V985 | A606-W680 HydrophobicContact CB-CE3 3.65Å; A606-W680 HydrophobicContact CB-CZ3 4.3Å; Q607-W680 HydrophobicContact CB-CH2 4.19Å; Q607-W680 HydrophobicContact CB-CZ3 4.02Å; V610-W680 HydrophobicContact CG2-CD2 4.15Å; V610-W680 HydrophobicContact CG2-CG 4.1Å; C676-W680 VanDerWaalsContact O-CB 3.31Å; C676-W680 WeakPolarHBondContact O-CB 3.36Å; C676-W680 PolarHBondContact O-N 3.43Å; T678-W680 VanDerWaalsContact C-N 3.32Å; T678-W680 PolarHBondContact O-N 3.47Å; W680-A979 HydrophobicContact CZ2-CB 4.37Å; W680-H981 PolarHBondContact NE1-O 3.31Å; W680-H981 VanDerWaalsContact NE1-O 3.13Å; W680-C982 VanDerWaalsContact O-CB 3.26Å; W680-C982 WeakPolarHBondContact O-CB 3.45Å; W680-V985 HydrophobicContact CB-CG2 3.98Å; W680-V985 HydrophobicContact CG-CG2 4.18Å |
| 681 | S | 85.5 | Confident | 74.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 9.8 | -179.5 | 57 | 0 | 0 | 0 | 0 | 113.6 | M677 T678 E679 E683 L684 | M677-S681 WeakPolarHBondContact O-CB 3.39Å; M677-S681 PolarHBondContact O-N 3.15Å; M677-S681 VanDerWaalsContact O-N 3.17Å; M677-S681 PolarHBondContact O-OG 3.35Å; T678-S681 CarbonylContact O-C 3.55Å; T678-S681 PolarHBondContact O-N 2.99Å; T678-S681 PolarHBondContact O-OG 2.81Å; E679-S681 VanDerWaalsContact C-N 3.29Å; E679-S681 PolarHBondContact O-N 3.3Å; S681-E683 VanDerWaalsContact C-N 3.29Å; S681-E683 PolarHBondContact O-N 3.38Å; S681-L684 PolarHBondContact O-N 2.95Å |
| 682 | Q | 76.3 | Confident | 71.7 | Confident | 130 Ų | 130 | 58.5 Ų | 58.5 | 61% | 0.607 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -64.5 | -30.4 | -172.4 | -171.5 | 171 | -5.9 | 0 | 0 | 113.2 | T678 E679 L684 Y685 | T678-Q682 PolarHBondContact O-N 3.07Å; E679-Q682 WeakPolarHBondContact O-CB 3.38Å; E679-Q682 PolarHBondContact O-N 3.19Å; Q682-L684 VanDerWaalsContact C-N 3.28Å; Q682-L684 PolarHBondContact O-N 3.39Å; Q682-Y685 WeakPolarHBondContact O-CB 3.43Å; Q682-Y685 PolarHBondContact O-N 3.2Å |
| 683 | E | 70.2 | Confident | 68.6 | Low | 184 Ų | 184 | 66.5 Ų | 66.5 | 86% | 0.86 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -64.9 | -29.4 | 178.9 | -64.8 | -173.3 | 171.8 | 0 | 0 | 113.4 | S681 Y685 | S681-E683 VanDerWaalsContact C-N 3.29Å; S681-E683 PolarHBondContact O-N 3.38Å; E683-Y685 PolarHBondContact O-N 3.11Å |
| 684 | L | 66.5 | Low | 65.4 | Low | 75 Ų | 75 | 73.5 Ų | 73.5 | 39% | 0.393 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -77.3 | -15.6 | 175.8 | -62.9 | 176.4 | 0 | 0 | 0 | 112.1 | S681 Q682 C982 I1029 F1030 | S681-L684 PolarHBondContact O-N 2.95Å; Q682-L684 VanDerWaalsContact C-N 3.28Å; Q682-L684 PolarHBondContact O-N 3.39Å; L684-C982 HydrophobicContact CD1-CB 4.45Å; L684-C982 VanDerWaalsContact CD1-SG 3.56Å; L684-I1029 HydrophobicContact CB-CG2 3.76Å; L684-I1029 HydrophobicContact CD1-CG2 4.22Å; L684-F1030 HydrophobicContact CD1-CD1 4.45Å; L684-F1030 HydrophobicContact CD1-CE1 3.62Å; L684-F1030 HydrophobicContact CD1-CZ 3.96Å |
| 685 | Y | 60.9 | Low | 62 | Low | 25 Ų | 25 | 77.8 Ų | 77.8 | 10% | 0.098 | 41% | 0.41 | C | S | . | . | trans | -92 | 110.1 | -174.8 | -172.9 | -98.7 | 0 | 0 | 0 | 112 | Q682 E683 N687 R1025 I1029 T1132 D1133 Y1136 | Q682-Y685 WeakPolarHBondContact O-CB 3.43Å; Q682-Y685 PolarHBondContact O-N 3.2Å; E683-Y685 PolarHBondContact O-N 3.11Å; Y685-N687 HydrophobicContact CD1-CB 4.14Å; Y685-N687 VanDerWaalsContact CE1-CA 3.43Å; Y685-N687 HydrophobicContact CE1-CB 3.67Å; Y685-N687 PolarHBondContact O-N 2.67Å; Y685-R1025 VanDerWaalsContact CD1-NH1 3.34Å; Y685-R1025 VanDerWaalsContact CE1-CZ 3.49Å; Y685-R1025 PolarHBondContact OH-NE 2.86Å; Y685-R1025 PolarHBondContact OH-NH1 3.38Å; Y685-R1025 PolarHBondContact OH-NH2 3.41Å; Y685-R1025 VanDerWaalsContact OH-NH2 3.15Å; Y685-I1029 HydrophobicContact CD2-CD1 4.1Å; Y685-I1029 HydrophobicContact CD2-CG1 3.52Å; Y685-I1029 HydrophobicContact CE2-CG1 4.48Å; Y685-I1029 HydrophobicContact CG-CD1 4.31Å; Y685-I1029 HydrophobicContact CG-CG1 4.1Å; Y685-T1132 PolarHBondContact OH-O 3Å; Y685-D1133 WeakPolarHBondContact CE2-OD1 3.41Å; Y685-D1133 PolarHBondContact OH-OD1 3.34Å; Y685-Y1136 HydrophobicContact CD2-CE2 4.43Å; Y685-Y1136 HydrophobicContact CE2-CD2 4.33Å; Y685-Y1136 HydrophobicContact CE2-CE2 4.04Å | ||
| 686 | I | 56.2 | Low | 58.7 | Low | 95 Ų | 95 | 78.3 Ų | 78.3 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | trans | -87.9 | 100.7 | 170.6 | -57 | 174 | 0 | 0 | 0 | 108.1 | P688 Q691 | I686-P688 WeakPolarHBondContact O-CD 3.3Å; I686-Q691 HydrophobicContact CG2-CG 4.43Å | ||
| 687 | N | 52.5 | Low | 55.5 | Low | 48 Ų | 48 | 83.9 Ų | 83.9 | 26% | 0.257 | 45% | 0.452 | S | S | . | . | trans | -61.8 | 123.6 | 173.6 | -179.3 | -5.1 | 0 | 0 | 0 | 109.2 | Y685 E689 S690 | Y685-N687 HydrophobicContact CD1-CB 4.14Å; Y685-N687 VanDerWaalsContact CE1-CA 3.43Å; Y685-N687 HydrophobicContact CE1-CB 3.67Å; Y685-N687 PolarHBondContact O-N 2.67Å; N687-E689 PolarHBondContact O-N 3.06Å; N687-E689 PolarHBondContact OD1-N 3.37Å; N687-S690 WeakPolarHBondContact CB-OG 3.4Å; N687-S690 PolarHBondContact O-N 3.17Å; N687-S690 VanDerWaalsContact O-N 3.11Å; N687-S690 PolarHBondContact O-OG 2.98Å | ||
| 688 | P | 48.6 | Very low | 52.3 | Low | 7 Ų | 7 | 89.9 Ų | 89.9 | 5% | 0.045 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.9 | 177.3 | -22.1 | 31.2 | 0 | 0 | 0 | 113.5 | I686 S690 T1132 R1277 | I686-P688 WeakPolarHBondContact O-CD 3.3Å; P688-S690 VanDerWaalsContact C-N 3.35Å; P688-T1132 VanDerWaalsContact CD-O 3.28Å; P688-T1132 WeakPolarHBondContact CD-O 3.19Å; P688-T1132 WeakPolarHBondContact CG-O 3.36Å; P688-R1277 PolarHBondContact O-NE 3.06Å; P688-R1277 PolarHBondContact O-NH2 3.45Å |
| 689 | E | 43.8 | Very low | 49.1 | Very low | 104 Ų | 104 | 96.5 Ų | 96.5 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -31.2 | 179 | -73 | -171.3 | 158 | 0 | 0 | 112.6 | N687 Q691 S692 | N687-E689 PolarHBondContact O-N 3.06Å; N687-E689 PolarHBondContact OD1-N 3.37Å; E689-Q691 PolarHBondContact O-N 3.27Å; E689-S692 PolarHBondContact O-N 3.22Å; E689-S692 PolarHBondContact O-OG 3.04Å |
| 690 | S | 44.9 | Very low | 46.2 | Very low | 84 Ų | 84 | 100.9 Ų | 100.9 | 59% | 0.587 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -66.6 | -20.8 | 177.5 | -4.7 | 0 | 0 | 0 | 0 | 113.2 | N687 P688 S692 | N687-S690 WeakPolarHBondContact CB-OG 3.4Å; N687-S690 PolarHBondContact O-N 3.17Å; N687-S690 VanDerWaalsContact O-N 3.11Å; N687-S690 PolarHBondContact O-OG 2.98Å; P688-S690 VanDerWaalsContact C-N 3.35Å; S690-S692 VanDerWaalsContact C-N 3.27Å; S690-S692 PolarHBondContact O-N 2.72Å |
| 691 | Q | 37.2 | Very low | 43.3 | Very low | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -83.2 | 5.8 | 179.7 | -69.2 | -171.2 | -14.1 | 0 | 0 | 114.1 | I686 E689 F693 | I686-Q691 HydrophobicContact CG2-CG 4.43Å; E689-Q691 PolarHBondContact O-N 3.27Å; Q691-F693 PolarHBondContact O-N 3.29Å |
| 692 | S | 33.2 | Very low | 40.4 | Very low | 97 Ų | 97 | 110.6 Ų | 110.6 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -74.6 | 1.6 | 179.6 | 56.2 | 0 | 0 | 0 | 0 | 115 | E689 S690 | E689-S692 PolarHBondContact O-N 3.22Å; E689-S692 PolarHBondContact O-OG 3.04Å; S690-S692 VanDerWaalsContact C-N 3.27Å; S690-S692 PolarHBondContact O-N 2.72Å |
| 693 | F | 29.2 | Very low | 37.9 | Very low | 184 Ų | 184 | 110.3 Ų | 110.3 | 81% | 0.807 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -135.6 | 85.5 | 175.2 | -148.1 | -91.7 | 0 | 0 | 0 | 109.9 | Q691 | Q691-F693 PolarHBondContact O-N 3.29Š|
| 694 | L | 29.1 | Very low | 35.7 | Very low | 146 Ų | 146 | 105 Ų | 105 | 76% | 0.764 | 63% | 0.625 | S | S | * | * | trans | 164.2 | 94.9 | 148.4 | -86.6 | 160.8 | 0 | 0 | 0 | 109 | S696 | L694-S696 PolarHBondContact O-N 3Å; L694-S696 VanDerWaalsContact O-N 3.14Å | ||
| 695 | G | 25.3 | Very low | 33.6 | Very low | 90 Ų | 90 | 106.4 Ų | 106.4 | 93% | 0.928 | 64% | 0.641 | S | S | * | * | trans | -75.6 | 90.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 696 | S | 25.4 | Very low | 31.9 | Very low | 96 Ų | 96 | 112.5 Ų | 112.5 | 67% | 0.671 | 68% | 0.675 | S | S | * | * | trans | -174.1 | 114.4 | 158.3 | 44.1 | 0 | 0 | 0 | 0 | 108.5 | L694 | L694-S696 PolarHBondContact O-N 3Å; L694-S696 VanDerWaalsContact O-N 3.14Å | ||
| 697 | E | 23.8 | Very low | 30.3 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 55% | 0.551 | 69% | 0.69 | S | S | * | * | trans | -53.6 | 142.3 | -179.7 | -78.4 | -179.5 | 123.1 | 0 | 0 | 113.2 | M699 I1322 | E697-M699 PolarHBondContact O-N 3.4Å; E697-M699 VanDerWaalsContact O-N 3.17Å; E697-I1322 WeakPolarHBondContact OE1-CG2 3.3Å; E697-I1322 WeakPolarHBondContact OE2-CG2 3.48Å | ||
| 698 | P | 26.5 | Very low | 28.9 | Very low | 129 Ų | 129 | 119.1 Ų | 119.1 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | trans | -76.8 | 102.7 | 170.2 | 30.7 | -28.6 | 0 | 0 | 0 | 109.1 | L700 | P698-L700 PolarHBondContact O-N 3.18Š| ||
| 699 | M | 24 | Very low | 27.8 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -68 | 126 | 165.2 | -77.5 | -76.5 | 110.7 | 0 | 0 | 109.4 | E697 A701 | E697-M699 PolarHBondContact O-N 3.4Å; E697-M699 VanDerWaalsContact O-N 3.17Å; M699-A701 PolarHBondContact O-N 2.85Å | ||
| 700 | L | 24.8 | Very low | 26.8 | Very low | 184 Ų | 184 | 125.4 Ų | 125.4 | 96% | 0.963 | 77% | 0.773 | S | S | * | * | trans | -53.6 | 99 | 171.8 | -71.2 | 157.1 | 0 | 0 | 0 | 110.4 | P698 | P698-L700 PolarHBondContact O-N 3.18Š| ||
| 701 | A | 26 | Very low | 25.8 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -100.8 | 116.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | M699 | M699-A701 PolarHBondContact O-N 2.85Š| ||
| 702 | N | 25 | Very low | 25.3 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -45.2 | 136.3 | 177.7 | -149.8 | 9.8 | 0 | 0 | 0 | 113 | G704 | N702-G704 PolarHBondContact O-N 3.01Å; N702-G704 VanDerWaalsContact O-N 3.16Å | ||
| 703 | S | 23.3 | Very low | 25 | Very low | 125 Ų | 125 | 132 Ų | 132 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -49.7 | 113.2 | 175.3 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 704 | G | 22.9 | Very low | 24.7 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -157.2 | 102.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | N702 N706 | N702-G704 PolarHBondContact O-N 3.01Å; N702-G704 VanDerWaalsContact O-N 3.16Å; G704-N706 PolarHBondContact O-N 3.36Å | ||
| 705 | S | 23.5 | Very low | 24.7 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -23.5 | 121.2 | 170.4 | -179.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 706 | N | 23.9 | Very low | 24.6 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | 178.4 | 87.9 | 126.6 | -85.5 | -10.2 | 0 | 0 | 0 | 109.5 | G704 | G704-N706 PolarHBondContact O-N 3.36Š| |||
| 707 | T | 23.1 | Very low | 24.6 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -64.8 | 121.7 | 163 | 47.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 708 | N | 23.5 | Very low | 24.6 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -171 | 95.5 | 152.7 | -90.6 | -20.3 | 0 | 0 | 0 | 109.5 | ||||
| 709 | T | 24.8 | Very low | 24.5 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | trans | 165.9 | 85.8 | 134.9 | 49.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 710 | A | 23.3 | Very low | 24.5 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -103.3 | 109.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 711 | E | 23.5 | Very low | 24.5 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -108.7 | 109.2 | 169 | -80.4 | -172.2 | 161.9 | 0 | 0 | 109.6 | ||||
| 712 | N | 26.8 | Very low | 24.6 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | 59.5 | 84.4 | 130.7 | -64.6 | -13.9 | 0 | 0 | 0 | 119.5 | ||||
| 713 | A | 27.5 | Very low | 24.6 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -93 | 107.9 | 140.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | V715 | A713-V715 PolarHBondContact O-N 3.39Š| ||
| 714 | G | 23.8 | Very low | 24.7 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | -75.8 | 117.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 715 | V | 28.8 | Very low | 24.8 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -117.4 | 109.8 | 152.9 | 178.1 | 0 | 0 | 0 | 0 | 105.8 | A713 | A713-V715 PolarHBondContact O-N 3.39Š| ||
| 716 | D | 22.3 | Very low | 25.2 | Very low | 168 Ų | 168 | 133 Ų | 133 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -83.5 | 138.9 | -171.6 | -145.5 | -6.2 | 0 | 0 | 0 | 110.6 | ||||
| 717 | G | 25 | Very low | 25.5 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | 92.8 | 76.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 718 | S | 24.2 | Very low | 26.2 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -148 | 114.6 | 140.6 | -160.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 719 | H | 25.1 | Very low | 27.5 | Very low | 190 Ų | 190 | 129.7 Ų | 129.7 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -65.9 | 140.5 | -168.7 | -83.2 | -83.4 | 0 | 0 | 0 | 113.9 | ||||
| 720 | N | 24.3 | Very low | 29.2 | Very low | 148 Ų | 148 | 133 Ų | 133 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -49.1 | 130.5 | 171.2 | -67.6 | -31.8 | 0 | 0 | 0 | 113.5 | ||||
| 721 | M | 24.4 | Very low | 31.7 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -137.1 | 98.7 | 150.7 | -103.5 | -62.4 | -62.9 | 0 | 0 | 108.9 | ||||
| 722 | T | 27.8 | Very low | 34.4 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | trans | -97.6 | 103.2 | 173.1 | -42.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 723 | L | 23.9 | Very low | 37 | Very low | 145 Ų | 145 | 117.2 Ų | 117.2 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | trans | -164.8 | 133.6 | 154.6 | -139 | 81.5 | 0 | 0 | 0 | 112.1 | ||||
| 724 | L | 25.9 | Very low | 39.5 | Very low | 158 Ų | 158 | 119.3 Ų | 119.3 | 83% | 0.827 | 69% | 0.693 | S | S | * | * | trans | 82.1 | 75.2 | 166.4 | -57.8 | 168.6 | 0 | 0 | 0 | 119.1 | A726 | L724-A726 PolarHBondContact O-N 3.09Š| ||
| 725 | G | 26.5 | Very low | 42.2 | Very low | 86 Ų | 86 | 117.4 Ų | 117.4 | 89% | 0.887 | 67% | 0.669 | S | S | * | * | 64.5 | 9 | 110.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | V727 | G725-V727 PolarHBondContact O-N 3.34Š| |||
| 726 | A | 30.3 | Very low | 45 | Very low | 84 Ų | 84 | 110.5 Ų | 110.5 | 69% | 0.694 | 63% | 0.627 | S | S | * | * | trans | -77.3 | 114.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L724 K728 | L724-A726 PolarHBondContact O-N 3.09Å; A726-K728 PolarHBondContact O-N 3.01Å | ||
| 727 | V | 31.6 | Very low | 47.9 | Very low | 129 Ų | 129 | 106.3 Ų | 106.3 | 78% | 0.782 | 60% | 0.602 | S | S | * | * | trans | -55.1 | 110 | 170.8 | 177 | 0 | 0 | 0 | 0 | 107.5 | G725 | G725-V727 PolarHBondContact O-N 3.34Š| ||
| 728 | K | 37.8 | Very low | 50.7 | Low | 180 Ų | 180 | 106 Ų | 106 | 78% | 0.783 | 59% | 0.589 | S | S | * | * | trans | -54.7 | 125.9 | -178.3 | -73.2 | -179.8 | 176.5 | -180 | 0 | 109.4 | A726 Y730 | A726-K728 PolarHBondContact O-N 3.01Å; K728-Y730 PolarHBondContact O-N 3.13Å | ||
| 729 | P | 50.2 | Low | 53.6 | Low | 55 Ų | 55 | 104 Ų | 104 | 36% | 0.357 | 56% | 0.563 | S | S | . | * | trans | -59.7 | 123.9 | 172.8 | 21.3 | -29 | 0 | 0 | 0 | 108.5 | D731 | P729-D731 PolarHBondContact O-N 3.2Å; P729-D731 VanDerWaalsContact O-N 3.15Å | ||
| 730 | Y | 60.6 | Low | 56.7 | Low | 210 Ų | 210 | 95.3 Ų | 95.3 | 82% | 0.824 | 52% | 0.523 | S | S | * | . | trans | -64.2 | 112 | -179.4 | -92.8 | -98.6 | 0 | 0 | 0 | 109.3 | K728 D732 | K728-Y730 PolarHBondContact O-N 3.13Å; Y730-D732 PolarHBondContact O-N 3.45Å | ||
| 731 | D | 75.1 | Confident | 59.6 | Low | 17 Ų | 17 | 90.4 Ų | 90.4 | 9% | 0.091 | 50% | 0.503 | C | S | . | . | trans | -77 | 91 | 167.5 | -174.4 | 28.5 | 0 | 0 | 0 | 107.7 | P729 T980 H981 H984 | P729-D731 PolarHBondContact O-N 3.2Å; P729-D731 VanDerWaalsContact O-N 3.15Å; D731-T980 WeakPolarHBondContact OD2-CA 3.43Å; D731-T980 WeakPolarHBondContact OD2-CB 3.34Å; D731-T980 PolarHBondContact OD2-N 2.83Å; D731-T980 PolarHBondContact OD2-OG1 3Å; D731-H981 PolarHBondContact O-CD2 2.9Å; D731-H981 PolarHBondContact O-NE2 3.23Å; D731-H981 IonicContact OD2-CD2 2.71Å; D731-H981 PolarHBondContact OD2-CD2 3.18Å; D731-H981 VanDerWaalsContact OD2-CD2 3.28Å; D731-H981 IonicContact OD2-CG 3.04Å; D731-H981 PolarHBondContact OD2-N 2.9Å; D731-H984 IonicContact OD1-CD2 2.66Å; D731-H984 IonicContact OD1-CE1 3.01Å; D731-H984 PolarHBondContact OD1-CE1 3.3Å; D731-H984 IonicContact OD1-NE2 2.97Å; D731-H984 PolarHBondContact OD1-NE2 3.45Å; D731-H984 IonicContact OD2-NE2 3.36Å; D731-H984 PolarHBondContact OD2-NE2 3.16Å | ||
| 732 | D | 79.6 | Confident | 62.5 | Low | 70 Ų | 70 | 86.2 Ų | 86.2 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | trans | -112.8 | 107.6 | 179.4 | 176.5 | 0.5 | 0 | 0 | 0 | 109.8 | Y730 E734 A735 F736 | Y730-D732 PolarHBondContact O-N 3.45Å; D732-E734 VanDerWaalsContact C-N 3.31Å; D732-E734 PolarHBondContact O-N 3.09Å; D732-E734 PolarHBondContact OD1-N 3.09Å; D732-E734 VanDerWaalsContact OD1-N 3.12Å; D732-A735 HydrophobicContact CB-CB 3.85Å; D732-A735 PolarHBondContact O-N 2.76Å; D732-A735 VanDerWaalsContact O-N 3.16Å; D732-F736 VanDerWaalsContact O-CD2 3.27Å; D732-F736 WeakPolarHBondContact O-CD2 3.48Å; D732-F736 PolarHBondContact O-N 3.29Å | ||
| 733 | P | 82.2 | Confident | 65.4 | Low | 16 Ų | 16 | 80.3 Ų | 80.3 | 10% | 0.104 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -53.1 | -42.5 | -179 | -26.7 | 35.3 | 0 | 0 | 0 | 114.3 | A735 F736 E737 H981 E983 | P733-A735 PolarHBondContact O-N 3.29Å; P733-F736 PolarHBondContact O-N 2.64Å; P733-E737 WeakPolarHBondContact O-CB 3.27Å; P733-E737 PolarHBondContact O-N 2.94Å; P733-H981 HydrophobicContact CG-CB 3.62Å; P733-E983 HydrophobicContact CB-CB 3.77Å; P733-E983 HydrophobicContact CG-CB 3.89Å |
| 734 | E | 81.1 | Confident | 68.4 | Low | 149 Ų | 149 | 77.7 Ų | 77.7 | 70% | 0.696 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -67.7 | -39.1 | -179.1 | -68 | -171 | 172 | 0 | 0 | 110.9 | D732 E737 S738 | D732-E734 VanDerWaalsContact C-N 3.31Å; D732-E734 PolarHBondContact O-N 3.09Å; D732-E734 PolarHBondContact OD1-N 3.09Å; D732-E734 VanDerWaalsContact OD1-N 3.12Å; E734-E737 PolarHBondContact O-N 3.18Å; E734-S738 VanDerWaalsContact O-CB 3.25Å; E734-S738 WeakPolarHBondContact O-CB 3.35Å; E734-S738 PolarHBondContact O-N 3.22Å |
| 735 | A | 80 | Confident | 71.3 | Confident | 38 Ų | 38 | 72.5 Ų | 72.5 | 31% | 0.314 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | D732 P733 R739 | D732-A735 HydrophobicContact CB-CB 3.85Å; D732-A735 PolarHBondContact O-N 2.76Å; D732-A735 VanDerWaalsContact O-N 3.16Å; P733-A735 PolarHBondContact O-N 3.29Å; A735-R739 WeakPolarHBondContact O-CB 3.38Å; A735-R739 WeakPolarHBondContact O-CG 3.4Å; A735-R739 PolarHBondContact O-N 3.45Å; A735-R739 PolarHBondContact O-NE 3.05Å |
| 736 | F | 87 | Confident | 74.1 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.009 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.2 | -40.3 | 175 | -84.6 | -79.8 | 0 | 0 | 0 | 112.4 | L614 C618 D732 P733 R739 K740 T977 H984 | L614-F736 HydrophobicContact CB-CD1 4.13Å; L614-F736 HydrophobicContact CB-CE1 3.8Å; L614-F736 HydrophobicContact CB-CZ 4.31Å; L614-F736 HydrophobicContact CD1-CZ 4.47Å; L614-F736 HydrophobicContact CD2-CB 4.05Å; L614-F736 HydrophobicContact CD2-CD1 3.69Å; L614-F736 HydrophobicContact CD2-CD2 4.23Å; L614-F736 HydrophobicContact CD2-CE1 4.15Å; L614-F736 HydrophobicContact CD2-CG 3.75Å; L614-F736 HydrophobicContact CG-CD1 4.42Å; L614-F736 HydrophobicContact CG-CE1 4.4Å; C618-F736 HydrophobicContact CB-CD1 3.63Å; C618-F736 HydrophobicContact CB-CE1 4.38Å; D732-F736 VanDerWaalsContact O-CD2 3.27Å; D732-F736 WeakPolarHBondContact O-CD2 3.48Å; D732-F736 PolarHBondContact O-N 3.29Å; P733-F736 PolarHBondContact O-N 2.64Å; F736-R739 VanDerWaalsContact CD1-CZ 3.49Å; F736-R739 VanDerWaalsContact CD2-NH2 3.3Å; F736-R739 VanDerWaalsContact CE1-CZ 3.48Å; F736-R739 PolarHBondContact O-N 3.4Å; F736-K740 PolarHBondContact O-N 2.96Å; F736-T977 HydrophobicContact CE2-CG2 4.26Å; F736-T977 HydrophobicContact CZ-CG2 3.86Å; F736-H984 AromaticContact CD2-CE1 3.83Å |
| 737 | E | 84.2 | Confident | 76.8 | Confident | 80 Ų | 80 | 68.5 Ų | 68.5 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.5 | -173 | 170.9 | -169.8 | 0 | 0 | 110.9 | P733 E734 R739 K740 A741 P987 | P733-E737 WeakPolarHBondContact O-CB 3.27Å; P733-E737 PolarHBondContact O-N 2.94Å; E734-E737 PolarHBondContact O-N 3.18Å; E737-R739 PolarHBondContact O-N 2.83Å; E737-K740 PolarHBondContact O-N 3.45Å; E737-A741 PolarHBondContact O-N 3.28Å; E737-P987 HydrophobicContact CG-CB 4.12Å |
| 738 | S | 83.7 | Confident | 79.3 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 173.8 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | E734 A741 Q742 | E734-S738 VanDerWaalsContact O-CB 3.25Å; E734-S738 WeakPolarHBondContact O-CB 3.35Å; E734-S738 PolarHBondContact O-N 3.22Å; S738-A741 PolarHBondContact O-N 2.88Å; S738-Q742 WeakPolarHBondContact O-CB 3.27Å; S738-Q742 WeakPolarHBondContact O-CG 3.28Å; S738-Q742 PolarHBondContact O-N 2.95Å |
| 739 | R | 84.9 | Confident | 81.7 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 30% | 0.302 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 175.4 | -81.4 | -174.4 | -72.2 | 158.4 | -11.3 | 113 | C618 A735 F736 E737 Q742 K743 | C618-R739 WeakPolarHBondContact O-CB 3.5Å; A735-R739 WeakPolarHBondContact O-CB 3.38Å; A735-R739 WeakPolarHBondContact O-CG 3.4Å; A735-R739 PolarHBondContact O-N 3.45Å; A735-R739 PolarHBondContact O-NE 3.05Å; F736-R739 VanDerWaalsContact CD1-CZ 3.49Å; F736-R739 VanDerWaalsContact CD2-NH2 3.3Å; F736-R739 VanDerWaalsContact CE1-CZ 3.48Å; F736-R739 PolarHBondContact O-N 3.4Å; E737-R739 PolarHBondContact O-N 2.83Å; R739-Q742 PolarHBondContact O-N 3.49Å; R739-K743 WeakPolarHBondContact O-CB 3.29Å; R739-K743 PolarHBondContact O-N 3.23Å |
| 740 | K | 89.4 | Confident | 83.3 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 174.2 | 176.4 | 59.1 | -179.9 | 168.2 | 0 | 111.1 | D617 N624 E627 F736 E737 K743 E744 | D617-K740 HydrophobicContact CB-CD 4.45Å; D617-K740 VanDerWaalsContact O-CD 3.25Å; D617-K740 WeakPolarHBondContact O-CD 3.12Å; N624-K740 VanDerWaalsContact CG-NZ 3.34Å; N624-K740 PolarHBondContact ND2-NZ 3.02Å; N624-K740 PolarHBondContact OD1-NZ 2.8Å; N624-K740 VanDerWaalsContact OD1-NZ 3.16Å; E627-K740 IonicContact OE2-NZ 3.26Å; E627-K740 PolarHBondContact OE2-NZ 3.4Å; F736-K740 PolarHBondContact O-N 2.96Å; E737-K740 PolarHBondContact O-N 3.45Å; K740-K743 WeakPolarHBondContact O-CB 3.35Å; K740-K743 PolarHBondContact O-N 2.69Å; K740-E744 HydrophobicContact CD-CG 4.41Å; K740-E744 VanDerWaalsContact CE-OE1 3.29Å; K740-E744 WeakPolarHBondContact CE-OE1 3.18Å; K740-E744 WeakPolarHBondContact O-CG 3.29Å; K740-E744 PolarHBondContact O-N 3.34Å |
| 741 | A | 85.3 | Confident | 84.5 | Confident | 45 Ų | 45 | 46.3 Ų | 46.3 | 37% | 0.372 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E737 S738 K743 E744 I745 | E737-A741 PolarHBondContact O-N 3.28Å; S738-A741 PolarHBondContact O-N 2.88Å; A741-K743 VanDerWaalsContact C-N 3.3Å; A741-K743 PolarHBondContact O-N 2.92Å; A741-E744 PolarHBondContact O-N 2.85Å; A741-I745 WeakPolarHBondContact O-CG1 3.09Å; A741-I745 PolarHBondContact O-N 2.87Å; A741-I745 VanDerWaalsContact O-N 3.14Å |
| 742 | Q | 84.5 | Confident | 85.1 | Confident | 76 Ų | 76 | 46.9 Ų | 46.9 | 36% | 0.355 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 172.7 | -75.9 | 177.5 | 5.2 | 0 | 0 | 111.5 | L620 S738 R739 I745 Y746 L770 | L620-Q742 HydrophobicContact CD2-CB 4.45Å; S738-Q742 WeakPolarHBondContact O-CB 3.27Å; S738-Q742 WeakPolarHBondContact O-CG 3.28Å; S738-Q742 PolarHBondContact O-N 2.95Å; R739-Q742 PolarHBondContact O-N 3.49Å; Q742-I745 PolarHBondContact O-N 2.96Å; Q742-Y746 WeakPolarHBondContact O-CB 3.23Å; Q742-Y746 PolarHBondContact O-N 2.65Å; Q742-L770 HydrophobicContact CB-CD2 4.13Å; Q742-L770 HydrophobicContact CG-CD2 4.28Å |
| 743 | K | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 177.1 | -171.4 | -173.1 | -173.6 | -179 | 0 | 112.6 | Y616 D617 D619 L620 M622 N624 R739 K740 A741 I745 Y746 E747 | Y616-K743 PolarHBondContact O-NZ 3.04Å; D617-K743 WeakPolarHBondContact O-CD 3.49Å; D617-K743 PolarHBondContact O-NZ 3.34Å; D619-K743 WeakPolarHBondContact O-CD 3.49Å; D619-K743 WeakPolarHBondContact O-CE 3.45Å; D619-K743 PolarHBondContact O-NZ 3.22Å; L620-K743 HydrophobicContact CD2-CB 4.03Å; L620-K743 HydrophobicContact CD2-CG 4.5Å; M622-K743 WeakPolarHBondContact O-CE 3.41Å; M622-K743 PolarHBondContact O-NZ 3.19Å; N624-K743 WeakPolarHBondContact OD1-CE 3.41Å; N624-K743 PolarHBondContact OD1-NZ 2.98Å; R739-K743 WeakPolarHBondContact O-CB 3.29Å; R739-K743 PolarHBondContact O-N 3.23Å; K740-K743 WeakPolarHBondContact O-CB 3.35Å; K740-K743 PolarHBondContact O-N 2.69Å; A741-K743 VanDerWaalsContact C-N 3.3Å; A741-K743 PolarHBondContact O-N 2.92Å; K743-I745 VanDerWaalsContact C-N 3.32Å; K743-I745 PolarHBondContact O-N 3.4Å; K743-Y746 WeakPolarHBondContact O-CB 3.3Å; K743-Y746 PolarHBondContact O-N 3.3Å; K743-Y746 VanDerWaalsContact O-N 3.16Å; K743-E747 VanDerWaalsContact CE-OE1 3.24Å; K743-E747 WeakPolarHBondContact CE-OE1 3.49Å; K743-E747 HydrophobicContact CG-CG 4.24Å; K743-E747 WeakPolarHBondContact O-CB 3.23Å; K743-E747 WeakPolarHBondContact O-CG 3.42Å; K743-E747 PolarHBondContact O-N 3.25Å |
| 744 | E | 87 | Confident | 85.9 | Confident | 90 Ų | 90 | 44.5 Ų | 44.5 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.9 | -42 | 175.8 | -74.4 | 177.6 | -175.4 | 0 | 0 | 111.8 | K740 A741 S748 | K740-E744 HydrophobicContact CD-CG 4.41Å; K740-E744 VanDerWaalsContact CE-OE1 3.29Å; K740-E744 WeakPolarHBondContact CE-OE1 3.18Å; K740-E744 WeakPolarHBondContact O-CG 3.29Å; K740-E744 PolarHBondContact O-N 3.34Å; A741-E744 PolarHBondContact O-N 2.85Å; E744-S748 WeakPolarHBondContact O-CB 3.36Å; E744-S748 PolarHBondContact O-N 3.01Å |
| 745 | I | 87.1 | Confident | 86.1 | Confident | 50 Ų | 50 | 44.1 Ų | 44.1 | 26% | 0.256 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 174 | -63.9 | 165.7 | 0 | 0 | 0 | 110.2 | A741 Q742 K743 S748 G749 L764 N768 L770 | A741-I745 WeakPolarHBondContact O-CG1 3.09Å; A741-I745 PolarHBondContact O-N 2.87Å; A741-I745 VanDerWaalsContact O-N 3.14Å; Q742-I745 PolarHBondContact O-N 2.96Å; K743-I745 VanDerWaalsContact C-N 3.32Å; K743-I745 PolarHBondContact O-N 3.4Å; I745-S748 PolarHBondContact O-N 3.3Å; I745-G749 PolarHBondContact O-N 3.09Å; I745-L764 HydrophobicContact CG2-CD2 4.43Å; I745-L764 HydrophobicContact CG2-CG 4.18Å; I745-N768 HydrophobicContact CG2-CB 4.11Å; I745-L770 HydrophobicContact CB-CD1 4.27Å; I745-L770 HydrophobicContact CG2-CD1 3.91Å |
| 746 | Y | 85.9 | Confident | 86.2 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 12% | 0.122 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.2 | -52.7 | 178.7 | -159.9 | -91.5 | 0 | 0 | 0 | 111.3 | Q742 K743 S748 G749 L750 L765 L770 F781 E785 | Q742-Y746 WeakPolarHBondContact O-CB 3.23Å; Q742-Y746 PolarHBondContact O-N 2.65Å; K743-Y746 WeakPolarHBondContact O-CB 3.3Å; K743-Y746 PolarHBondContact O-N 3.3Å; K743-Y746 VanDerWaalsContact O-N 3.16Å; Y746-S748 PolarHBondContact O-N 3.13Å; Y746-G749 CarbonylContact O-C 3.42Å; Y746-G749 WeakPolarHBondContact O-CA 3.44Å; Y746-G749 PolarHBondContact O-N 3.14Å; Y746-G749 VanDerWaalsContact O-N 3.08Å; Y746-L750 HydrophobicContact CD1-CD1 3.78Å; Y746-L750 HydrophobicContact CD1-CD2 4.49Å; Y746-L750 HydrophobicContact CD1-CG 3.99Å; Y746-L750 HydrophobicContact CE1-CD1 3.79Å; Y746-L750 HydrophobicContact CE1-CD2 4.05Å; Y746-L750 HydrophobicContact CE1-CG 4.01Å; Y746-L750 WeakPolarHBondContact O-CG 3.32Å; Y746-L750 PolarHBondContact O-N 3.22Å; Y746-L765 HydrophobicContact CD2-CD2 4.07Å; Y746-L765 HydrophobicContact CG-CD2 4.49Å; Y746-L770 HydrophobicContact CD2-CB 4.05Å; Y746-L770 HydrophobicContact CD2-CD1 4.04Å; Y746-L770 HydrophobicContact CD2-CG 4.43Å; Y746-L770 HydrophobicContact CE2-CB 4.39Å; Y746-F781 AromaticContact CZ-CE2 3.91Å; Y746-F781 VanDerWaalsContact OH-CE2 3.28Å; Y746-F781 WeakPolarHBondContact OH-CE2 3.44Å; Y746-E785 VanDerWaalsContact CE1-OE2 3.3Å; Y746-E785 WeakPolarHBondContact CE1-OE2 3.46Å; Y746-E785 PolarHBondContact OH-OE2 3.43Å |
| 747 | E | 86 | Confident | 86.3 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 178.2 | -72.1 | -178.3 | 159.8 | 0 | 0 | 112.5 | N624 K743 G749 L750 A751 | N624-E747 VanDerWaalsContact ND2-CD 3.32Å; N624-E747 PolarHBondContact ND2-OE1 3.04Å; N624-E747 PolarHBondContact ND2-OE2 3.38Å; K743-E747 VanDerWaalsContact CE-OE1 3.24Å; K743-E747 WeakPolarHBondContact CE-OE1 3.49Å; K743-E747 HydrophobicContact CG-CG 4.24Å; K743-E747 WeakPolarHBondContact O-CB 3.23Å; K743-E747 WeakPolarHBondContact O-CG 3.42Å; K743-E747 PolarHBondContact O-N 3.25Å; E747-G749 VanDerWaalsContact C-N 3.32Å; E747-L750 PolarHBondContact O-N 3.08Å; E747-A751 WeakPolarHBondContact O-CB 3.31Å; E747-A751 PolarHBondContact O-N 3.24Å |
| 748 | S | 84.7 | Confident | 86.3 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 42% | 0.42 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 170.8 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | E744 I745 Y746 A751 L752 | E744-S748 WeakPolarHBondContact O-CB 3.36Å; E744-S748 PolarHBondContact O-N 3.01Å; I745-S748 PolarHBondContact O-N 3.3Å; Y746-S748 PolarHBondContact O-N 3.13Å; S748-A751 PolarHBondContact O-N 2.97Å; S748-L752 WeakPolarHBondContact O-CG 3.14Å; S748-L752 PolarHBondContact O-N 3Å |
| 749 | G | 86.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.3 | -49 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I745 Y746 E747 A751 L752 F753 C761 | I745-G749 PolarHBondContact O-N 3.09Å; Y746-G749 CarbonylContact O-C 3.42Å; Y746-G749 WeakPolarHBondContact O-CA 3.44Å; Y746-G749 PolarHBondContact O-N 3.14Å; Y746-G749 VanDerWaalsContact O-N 3.08Å; E747-G749 VanDerWaalsContact C-N 3.32Å; G749-A751 VanDerWaalsContact C-N 3.31Å; G749-A751 PolarHBondContact O-N 3.45Å; G749-L752 WeakPolarHBondContact O-CB 3.22Å; G749-L752 PolarHBondContact O-N 3.36Å; G749-L752 VanDerWaalsContact O-N 3.16Å; G749-F753 PolarHBondContact O-N 2.91Å; G749-C761 VanDerWaalsContact C-SG 3.58Å; G749-C761 VanDerWaalsContact O-CB 3.31Å; G749-C761 WeakPolarHBondContact O-CB 3.14Å; G749-C761 PolarHBondContact O-SG 3.25Å |
| 750 | L | 85.8 | Confident | 86.7 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 175.8 | -63.6 | -179.5 | 0 | 0 | 0 | 111.9 | Y746 E747 L752 F753 N754 F781 E785 R787 L788 | Y746-L750 HydrophobicContact CD1-CD1 3.78Å; Y746-L750 HydrophobicContact CD1-CD2 4.49Å; Y746-L750 HydrophobicContact CD1-CG 3.99Å; Y746-L750 HydrophobicContact CE1-CD1 3.79Å; Y746-L750 HydrophobicContact CE1-CD2 4.05Å; Y746-L750 HydrophobicContact CE1-CG 4.01Å; Y746-L750 WeakPolarHBondContact O-CG 3.32Å; Y746-L750 PolarHBondContact O-N 3.22Å; E747-L750 PolarHBondContact O-N 3.08Å; L750-L752 VanDerWaalsContact C-N 3.35Å; L750-L752 PolarHBondContact O-N 3.29Å; L750-F753 WeakPolarHBondContact O-CB 3.32Å; L750-F753 PolarHBondContact O-N 2.94Å; L750-N754 WeakPolarHBondContact O-CB 3.38Å; L750-N754 PolarHBondContact O-N 2.96Å; L750-N754 PolarHBondContact O-ND2 3.03Å; L750-F781 HydrophobicContact CD2-CE2 4.03Å; L750-F781 HydrophobicContact CD2-CZ 3.81Å; L750-E785 HydrophobicContact CD2-CG 3.78Å; L750-R787 HydrophobicContact CD1-CB 4.07Å; L750-L788 HydrophobicContact CD2-CD2 3.62Å; L750-L788 HydrophobicContact CD2-CG 4.11Å |
| 751 | A | 85.4 | Confident | 86.8 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E747 S748 G749 N754 Q755 | E747-A751 WeakPolarHBondContact O-CB 3.31Å; E747-A751 PolarHBondContact O-N 3.24Å; S748-A751 PolarHBondContact O-N 2.97Å; G749-A751 VanDerWaalsContact C-N 3.31Å; G749-A751 PolarHBondContact O-N 3.45Å; A751-N754 CarbonylContact O-C 3.4Å; A751-N754 PolarHBondContact O-N 3.43Å; A751-Q755 WeakPolarHBondContact O-CB 3.48Å; A751-Q755 WeakPolarHBondContact O-CG 3.38Å; A751-Q755 PolarHBondContact O-N 2.94Å |
| 752 | L | 87.9 | Confident | 87 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.2 | -72.4 | 171.8 | 0 | 0 | 0 | 112.1 | S748 G749 L750 N754 Q755 N756 Q757 R760 C761 L764 | S748-L752 WeakPolarHBondContact O-CG 3.14Å; S748-L752 PolarHBondContact O-N 3Å; G749-L752 WeakPolarHBondContact O-CB 3.22Å; G749-L752 PolarHBondContact O-N 3.36Å; G749-L752 VanDerWaalsContact O-N 3.16Å; L750-L752 VanDerWaalsContact C-N 3.35Å; L750-L752 PolarHBondContact O-N 3.29Å; L752-N754 VanDerWaalsContact C-N 3.34Å; L752-Q755 CarbonylContact O-C 3.48Å; L752-Q755 PolarHBondContact O-N 3.16Å; L752-N756 PolarHBondContact O-N 2.96Å; L752-Q757 WeakPolarHBondContact O-CA 3.24Å; L752-Q757 PolarHBondContact O-N 3.34Å; L752-R760 HydrophobicContact CD1-CG 4.27Å; L752-C761 HydrophobicContact CB-CB 4.19Å; L752-L764 HydrophobicContact CD1-CD2 4.01Å |
| 753 | F | 89.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 174.2 | -167.3 | -82.4 | 0 | 0 | 0 | 110.9 | G749 L750 Q755 N756 P758 C761 L782 L788 H792 I793 | G749-F753 PolarHBondContact O-N 2.91Å; L750-F753 WeakPolarHBondContact O-CB 3.32Å; L750-F753 PolarHBondContact O-N 2.94Å; F753-Q755 PolarHBondContact O-N 2.97Å; F753-N756 PolarHBondContact O-N 2.71Å; F753-N756 VanDerWaalsContact O-N 3.07Å; F753-P758 HydrophobicContact CD2-CB 3.65Å; F753-P758 HydrophobicContact CE2-CB 3.6Å; F753-P758 HydrophobicContact CZ-CB 4.43Å; F753-C761 HydrophobicContact CB-CB 3.98Å; F753-C761 HydrophobicContact CD2-CB 4.41Å; F753-L782 HydrophobicContact CE2-CD2 3.77Å; F753-L782 HydrophobicContact CZ-CD2 3.75Å; F753-L788 HydrophobicContact CB-CD2 3.77Å; F753-L788 HydrophobicContact CD1-CB 4.38Å; F753-L788 HydrophobicContact CD1-CD2 3.42Å; F753-L788 VanDerWaalsContact CD1-CD2 3.42Å; F753-L788 HydrophobicContact CD1-CG 4.41Å; F753-L788 HydrophobicContact CD2-CD2 4.08Å; F753-L788 HydrophobicContact CE1-CB 4.29Å; F753-L788 HydrophobicContact CE1-CD2 3.95Å; F753-L788 HydrophobicContact CG-CD2 3.49Å; F753-L788 VanDerWaalsContact CG-CD2 3.49Å; F753-L788 HydrophobicContact CZ-CD2 4.49Å; F753-H792 HydrophobicContact CD1-CB 4.03Å; F753-H792 HydrophobicContact CE1-CB 3.64Å; F753-H792 HydrophobicContact CZ-CB 4.47Å; F753-I793 HydrophobicContact CE1-CG1 3.86Å; F753-I793 HydrophobicContact CZ-CG1 3.95Å |
| 754 | N | 87.3 | Confident | 87.2 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 20% | 0.198 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.7 | -13.5 | 178.1 | -71.8 | -21.8 | 0 | 0 | 0 | 113.6 | L750 A751 L752 R787 S789 H792 | L750-N754 WeakPolarHBondContact O-CB 3.38Å; L750-N754 PolarHBondContact O-N 2.96Å; L750-N754 PolarHBondContact O-ND2 3.03Å; A751-N754 CarbonylContact O-C 3.4Å; A751-N754 PolarHBondContact O-N 3.43Å; L752-N754 VanDerWaalsContact C-N 3.34Å; N754-R787 PolarHBondContact ND2-O 2.93Å; N754-S789 WeakPolarHBondContact OD1-CB 3.25Å; N754-S789 PolarHBondContact OD1-N 2.95Å; N754-H792 PolarHBondContact O-CE1 2.95Å; N754-H792 PolarHBondContact O-ND1 3.25Å |
| 755 | Q | 86.7 | Confident | 87.4 | Confident | 141 Ų | 141 | 51.1 Ų | 51.1 | 66% | 0.659 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 21.1 | 171.4 | -70 | 174.5 | 39.8 | 0 | 0 | 112.8 | A751 L752 F753 Q757 | A751-Q755 WeakPolarHBondContact O-CB 3.48Å; A751-Q755 WeakPolarHBondContact O-CG 3.38Å; A751-Q755 PolarHBondContact O-N 2.94Å; L752-Q755 CarbonylContact O-C 3.48Å; L752-Q755 PolarHBondContact O-N 3.16Å; F753-Q755 PolarHBondContact O-N 2.97Å; Q755-Q757 PolarHBondContact O-N 3.2Å |
| 756 | N | 82.4 | Confident | 87.5 | Confident | 109 Ų | 109 | 50.7 Ų | 50.7 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 31.4 | 176.5 | -155.7 | 36 | 0 | 0 | 0 | 114.3 | L752 F753 P758 | L752-N756 PolarHBondContact O-N 2.96Å; F753-N756 PolarHBondContact O-N 2.71Å; F753-N756 VanDerWaalsContact O-N 3.07Å; N756-P758 WeakPolarHBondContact O-CD 3.29Å |
| 757 | Q | 87.6 | Confident | 87.6 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | trans | -119.3 | 60.9 | 171.9 | -58.3 | -156.1 | -41 | 0 | 0 | 112.2 | L752 Q755 L759 R760 C761 | L752-Q757 WeakPolarHBondContact O-CA 3.24Å; L752-Q757 PolarHBondContact O-N 3.34Å; Q755-Q757 PolarHBondContact O-N 3.2Å; Q757-L759 PolarHBondContact O-N 3.46Å; Q757-R760 HydrophobicContact CB-CB 4.12Å; Q757-R760 PolarHBondContact O-N 3.06Å; Q757-R760 VanDerWaalsContact OE1-CD 3.3Å; Q757-C761 PolarHBondContact O-N 3.17Å | ||
| 758 | P | 85.9 | Confident | 87.6 | Confident | 24 Ų | 24 | 56.5 Ų | 56.5 | 16% | 0.156 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | -172.8 | 26.3 | -34.9 | 0 | 0 | 0 | 113.2 | F753 N756 R760 C761 L762 F796 | F753-P758 HydrophobicContact CD2-CB 3.65Å; F753-P758 HydrophobicContact CE2-CB 3.6Å; F753-P758 HydrophobicContact CZ-CB 4.43Å; N756-P758 WeakPolarHBondContact O-CD 3.29Å; P758-R760 VanDerWaalsContact C-N 3.32Å; P758-R760 PolarHBondContact O-N 3.07Å; P758-C761 WeakPolarHBondContact O-CB 3.42Å; P758-C761 PolarHBondContact O-N 2.97Å; P758-L762 WeakPolarHBondContact O-CG 3.27Å; P758-L762 PolarHBondContact O-N 3.45Å; P758-F796 HydrophobicContact CB-CD2 3.46Å; P758-F796 VanDerWaalsContact CB-CD2 3.46Å; P758-F796 HydrophobicContact CB-CE2 3.8Å; P758-F796 HydrophobicContact CB-CG 4.22Å; P758-F796 HydrophobicContact CG-CD2 3.48Å; P758-F796 VanDerWaalsContact CG-CD2 3.48Å; P758-F796 HydrophobicContact CG-CE2 4.03Å; P758-F796 HydrophobicContact CG-CG 4.43Å |
| 759 | L | 88.2 | Confident | 87.5 | Confident | 102 Ų | 102 | 56.7 Ų | 56.7 | 53% | 0.534 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 178.2 | -68.7 | 170.6 | 0 | 0 | 0 | 112.4 | Q757 L762 Q763 F796 Y803 | Q757-L759 PolarHBondContact O-N 3.46Å; L759-L762 PolarHBondContact O-N 3.39Å; L759-Q763 WeakPolarHBondContact O-CB 3.34Å; L759-Q763 PolarHBondContact O-N 2.81Å; L759-F796 HydrophobicContact CD2-CE2 4.37Å; L759-Y803 HydrophobicContact CD2-CD1 3.88Å; L759-Y803 HydrophobicContact CD2-CE1 4.01Å |
| 760 | R | 88.6 | Confident | 87.3 | Confident | 149 Ų | 149 | 58.6 Ų | 58.6 | 56% | 0.562 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.4 | -36.9 | 177.3 | -166.7 | -179 | -175.3 | 173.8 | 2.2 | 111.7 | L752 Q757 P758 L764 | L752-R760 HydrophobicContact CD1-CG 4.27Å; Q757-R760 HydrophobicContact CB-CB 4.12Å; Q757-R760 PolarHBondContact O-N 3.06Å; Q757-R760 VanDerWaalsContact OE1-CD 3.3Å; P758-R760 VanDerWaalsContact C-N 3.32Å; P758-R760 PolarHBondContact O-N 3.07Å; R760-L764 WeakPolarHBondContact O-CB 3.4Å; R760-L764 PolarHBondContact O-N 3.38Å |
| 761 | C | 90.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.3 | -54.4 | 170.5 | 165.4 | 0 | 0 | 0 | 0 | 110.4 | G749 L752 F753 Q757 P758 Q763 L764 L765 | G749-C761 VanDerWaalsContact C-SG 3.58Å; G749-C761 VanDerWaalsContact O-CB 3.31Å; G749-C761 WeakPolarHBondContact O-CB 3.14Å; G749-C761 PolarHBondContact O-SG 3.25Å; L752-C761 HydrophobicContact CB-CB 4.19Å; F753-C761 HydrophobicContact CB-CB 3.98Å; F753-C761 HydrophobicContact CD2-CB 4.41Å; Q757-C761 PolarHBondContact O-N 3.17Å; P758-C761 WeakPolarHBondContact O-CB 3.42Å; P758-C761 PolarHBondContact O-N 2.97Å; C761-Q763 VanDerWaalsContact C-N 3.33Å; C761-Q763 PolarHBondContact O-N 2.78Å; C761-L764 PolarHBondContact O-N 3.34Å; C761-L764 VanDerWaalsContact O-N 3.16Å; C761-L765 WeakPolarHBondContact O-CG 3.3Å; C761-L765 PolarHBondContact O-N 3.02Å |
| 762 | L | 90.4 | Very high | 87.1 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | -179 | -65.8 | 175.5 | 0 | 0 | 0 | 111.4 | P758 L759 L764 L765 Q766 V778 F781 F796 Y803 | P758-L762 WeakPolarHBondContact O-CG 3.27Å; P758-L762 PolarHBondContact O-N 3.45Å; L759-L762 PolarHBondContact O-N 3.39Å; L762-L764 PolarHBondContact O-N 3.47Å; L762-L765 PolarHBondContact O-N 2.89Å; L762-Q766 VanDerWaalsContact O-CB 3.25Å; L762-Q766 WeakPolarHBondContact O-CB 3.48Å; L762-Q766 WeakPolarHBondContact O-CG 3.36Å; L762-Q766 PolarHBondContact O-N 3.33Å; L762-Q766 PolarHBondContact O-OE1 2.96Å; L762-V778 HydrophobicContact CD1-CG1 3.8Å; L762-V778 HydrophobicContact CD2-CG1 3.71Å; L762-V778 HydrophobicContact CD2-CG2 4.23Å; L762-V778 HydrophobicContact CG-CG1 4.42Å; L762-F781 HydrophobicContact CD2-CD1 4.22Å; L762-F781 HydrophobicContact CD2-CE1 4.24Å; L762-F796 HydrophobicContact CD1-CE1 4.43Å; L762-F796 HydrophobicContact CD1-CE2 4.22Å; L762-F796 HydrophobicContact CD1-CZ 3.66Å; L762-Y803 HydrophobicContact CD1-CE1 3.97Å |
| 763 | Q | 88.6 | Confident | 86.8 | Confident | 107 Ų | 107 | 65.4 Ų | 65.4 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 175.9 | -175.6 | 179 | 2 | 0 | 0 | 112 | L759 C761 L765 Q766 E767 | L759-Q763 WeakPolarHBondContact O-CB 3.34Å; L759-Q763 PolarHBondContact O-N 2.81Å; C761-Q763 VanDerWaalsContact C-N 3.33Å; C761-Q763 PolarHBondContact O-N 2.78Å; Q763-L765 VanDerWaalsContact C-N 3.35Å; Q763-L765 PolarHBondContact O-N 3.22Å; Q763-Q766 PolarHBondContact O-N 2.86Å; Q763-E767 HydrophobicContact CG-CG 4.31Å; Q763-E767 VanDerWaalsContact CG-OE1 3.28Å; Q763-E767 WeakPolarHBondContact CG-OE1 3.27Å; Q763-E767 PolarHBondContact NE2-OE1 3.44Å; Q763-E767 WeakPolarHBondContact O-CB 3.42Å; Q763-E767 VanDerWaalsContact O-CG 3.28Å; Q763-E767 WeakPolarHBondContact O-CG 3.41Å; Q763-E767 PolarHBondContact O-N 2.87Å |
| 764 | L | 89.4 | Confident | 86.8 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 24% | 0.241 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 179.3 | -178.5 | 69.6 | 0 | 0 | 0 | 111.8 | I745 L752 R760 C761 L762 N768 | I745-L764 HydrophobicContact CG2-CD2 4.43Å; I745-L764 HydrophobicContact CG2-CG 4.18Å; L752-L764 HydrophobicContact CD1-CD2 4.01Å; R760-L764 WeakPolarHBondContact O-CB 3.4Å; R760-L764 PolarHBondContact O-N 3.38Å; C761-L764 PolarHBondContact O-N 3.34Å; C761-L764 VanDerWaalsContact O-N 3.16Å; L762-L764 PolarHBondContact O-N 3.47Å; L764-N768 PolarHBondContact O-N 3.17Å; L764-N768 PolarHBondContact O-ND2 3.3Å |
| 765 | L | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.9 | -33.1 | -178.3 | -62.6 | -178.6 | 0 | 0 | 0 | 112.1 | Y746 C761 L762 Q763 G769 L770 I771 F781 | Y746-L765 HydrophobicContact CD2-CD2 4.07Å; Y746-L765 HydrophobicContact CG-CD2 4.49Å; C761-L765 WeakPolarHBondContact O-CG 3.3Å; C761-L765 PolarHBondContact O-N 3.02Å; L762-L765 PolarHBondContact O-N 2.89Å; Q763-L765 VanDerWaalsContact C-N 3.35Å; Q763-L765 PolarHBondContact O-N 3.22Å; L765-G769 PolarHBondContact O-N 2.95Å; L765-L770 HydrophobicContact CB-CB 4.44Å; L765-L770 HydrophobicContact CD2-CB 4.46Å; L765-L770 HydrophobicContact CD2-CD1 3.95Å; L765-L770 PolarHBondContact O-N 3.43Å; L765-I771 HydrophobicContact CB-CB 4.42Å; L765-I771 HydrophobicContact CB-CD1 3.71Å; L765-I771 HydrophobicContact CB-CG1 3.98Å; L765-I771 HydrophobicContact CD1-CD1 3.41Å; L765-I771 VanDerWaalsContact CD1-CD1 3.41Å; L765-I771 HydrophobicContact CD1-CG1 4.29Å; L765-I771 HydrophobicContact CG-CD1 4.19Å; L765-I771 PolarHBondContact O-N 3.5Å; L765-F781 HydrophobicContact CD1-CE2 4.34Å; L765-F781 HydrophobicContact CD1-CZ 3.95Å |
| 766 | Q | 89.5 | Confident | 87.1 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 19% | 0.192 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.4 | -44.8 | 175 | -73.6 | 173.6 | -31.9 | 0 | 0 | 112 | L762 Q763 N768 G769 G772 | L762-Q766 VanDerWaalsContact O-CB 3.25Å; L762-Q766 WeakPolarHBondContact O-CB 3.48Å; L762-Q766 WeakPolarHBondContact O-CG 3.36Å; L762-Q766 PolarHBondContact O-N 3.33Å; L762-Q766 PolarHBondContact O-OE1 2.96Å; Q763-Q766 PolarHBondContact O-N 2.86Å; Q766-N768 PolarHBondContact O-N 3.01Å; Q766-G769 PolarHBondContact O-N 3.33Å; Q766-G772 PolarHBondContact NE2-O 2.96Å |
| 767 | E | 87.9 | Confident | 87.4 | Confident | 132 Ų | 132 | 62.7 Ų | 62.7 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.2 | -29.2 | 177.1 | -76 | 174.7 | -176.3 | 0 | 0 | 112.6 | Q763 | Q763-E767 HydrophobicContact CG-CG 4.31Å; Q763-E767 VanDerWaalsContact CG-OE1 3.28Å; Q763-E767 WeakPolarHBondContact CG-OE1 3.27Å; Q763-E767 PolarHBondContact NE2-OE1 3.44Å; Q763-E767 WeakPolarHBondContact O-CB 3.42Å; Q763-E767 VanDerWaalsContact O-CG 3.28Å; Q763-E767 WeakPolarHBondContact O-CG 3.41Å; Q763-E767 PolarHBondContact O-N 2.87Å |
| 768 | N | 86.6 | Confident | 87.6 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 40% | 0.401 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 5.5 | 176.1 | -69.7 | -80.2 | 0 | 0 | 0 | 113.7 | I745 L764 Q766 L770 | I745-N768 HydrophobicContact CG2-CB 4.11Å; L764-N768 PolarHBondContact O-N 3.17Å; L764-N768 PolarHBondContact O-ND2 3.3Å; Q766-N768 PolarHBondContact O-N 3.01Å; N768-L770 VanDerWaalsContact C-N 3.27Å; N768-L770 HydrophobicContact CB-CD1 4.13Å; N768-L770 HydrophobicContact CB-CG 4.29Å; N768-L770 PolarHBondContact O-N 2.94Å |
| 769 | G | 82.2 | Confident | 87.8 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 66% | 0.66 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 18.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L765 Q766 | L765-G769 PolarHBondContact O-N 2.95Å; Q766-G769 PolarHBondContact O-N 3.33Å |
| 770 | L | 82.8 | Confident | 87.8 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -84.8 | -19.4 | -178.6 | -64.1 | 167.3 | 0 | 0 | 0 | 112.7 | Q742 I745 Y746 L765 N768 | Q742-L770 HydrophobicContact CB-CD2 4.13Å; Q742-L770 HydrophobicContact CG-CD2 4.28Å; I745-L770 HydrophobicContact CB-CD1 4.27Å; I745-L770 HydrophobicContact CG2-CD1 3.91Å; Y746-L770 HydrophobicContact CD2-CB 4.05Å; Y746-L770 HydrophobicContact CD2-CD1 4.04Å; Y746-L770 HydrophobicContact CD2-CG 4.43Å; Y746-L770 HydrophobicContact CE2-CB 4.39Å; L765-L770 HydrophobicContact CB-CB 4.44Å; L765-L770 HydrophobicContact CD2-CB 4.46Å; L765-L770 HydrophobicContact CD2-CD1 3.95Å; L765-L770 PolarHBondContact O-N 3.43Å; N768-L770 VanDerWaalsContact C-N 3.27Å; N768-L770 HydrophobicContact CB-CD1 4.13Å; N768-L770 HydrophobicContact CB-CG 4.29Å; N768-L770 PolarHBondContact O-N 2.94Å |
| 771 | I | 84.7 | Confident | 87.9 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -136.2 | 140.2 | 173.5 | -60 | 175.1 | 0 | 0 | 0 | 107.9 | L765 V778 F781 | L765-I771 HydrophobicContact CB-CB 4.42Å; L765-I771 HydrophobicContact CB-CD1 3.71Å; L765-I771 HydrophobicContact CB-CG1 3.98Å; L765-I771 HydrophobicContact CD1-CD1 3.41Å; L765-I771 VanDerWaalsContact CD1-CD1 3.41Å; L765-I771 HydrophobicContact CD1-CG1 4.29Å; L765-I771 HydrophobicContact CG-CD1 4.19Å; L765-I771 PolarHBondContact O-N 3.5Å; I771-V778 HydrophobicContact CG2-CG2 4.35Å; I771-F781 HydrophobicContact CD1-CB 4.05Å; I771-F781 HydrophobicContact CD1-CD1 3.59Å; I771-F781 HydrophobicContact CD1-CD2 3.52Å; I771-F781 HydrophobicContact CD1-CE1 3.78Å; I771-F781 HydrophobicContact CD1-CE2 3.73Å; I771-F781 HydrophobicContact CD1-CG 3.43Å; I771-F781 VanDerWaalsContact CD1-CG 3.43Å; I771-F781 HydrophobicContact CD1-CZ 3.83Å; I771-F781 HydrophobicContact CG1-CD2 4.2Å; I771-F781 HydrophobicContact CG1-CG 4.27Å; I771-F781 HydrophobicContact CG2-CB 4.37Å |
| 772 | G | 81.8 | Confident | 87.7 | Confident | 34 Ų | 34 | 50.7 Ų | 50.7 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | trans | -62 | 150.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q766 S774 | Q766-G772 PolarHBondContact NE2-O 2.96Å; G772-S774 PolarHBondContact O-N 3.42Å | ||
| 773 | E | 83.2 | Confident | 87.4 | Confident | 169 Ų | 169 | 54 Ų | 54 | 79% | 0.79 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -70.8 | -12.2 | 179.1 | -64.2 | -176.7 | 177.2 | 0 | 0 | 113.4 | ||
| 774 | S | 88.1 | Confident | 87.1 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 33% | 0.329 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -77.2 | 152.2 | -177.5 | 96.4 | 0 | 0 | 0 | 0 | 112.8 | G772 E776 S777 V778 | G772-S774 PolarHBondContact O-N 3.42Å; S774-E776 VanDerWaalsContact C-N 3.25Å; S774-E776 WeakPolarHBondContact CB-OE2 3.46Å; S774-E776 PolarHBondContact O-N 3.17Å; S774-E776 PolarHBondContact OG-N 3.45Å; S774-E776 PolarHBondContact OG-OE2 3.43Å; S774-S777 WeakPolarHBondContact O-CB 3.4Å; S774-S777 PolarHBondContact O-N 3.01Å; S774-S777 PolarHBondContact OG-N 3.3Å; S774-S777 VanDerWaalsContact OG-N 3.1Å; S774-S777 PolarHBondContact OG-OG 2.93Å; S774-V778 PolarHBondContact O-N 3.48Å |
| 775 | V | 90.1 | Very high | 86.9 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.5 | -28.3 | 178.7 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | V778 A779 Y803 R806 V807 A810 | V775-V778 PolarHBondContact O-N 3.36Å; V775-A779 WeakPolarHBondContact O-CB 3.26Å; V775-A779 PolarHBondContact O-N 2.98Å; V775-Y803 HydrophobicContact CG1-CE2 4.27Å; V775-R806 HydrophobicContact CG1-CB 4.15Å; V775-V807 HydrophobicContact CB-CG2 4.25Å; V775-V807 HydrophobicContact CG1-CG2 4.24Å; V775-A810 HydrophobicContact CG2-CB 4.44Å |
| 776 | E | 91 | Very high | 86.4 | Confident | 107 Ų | 107 | 59 Ų | 59 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | 174.5 | -54.6 | 74.1 | -161.1 | 0 | 0 | 111.2 | S774 A779 Q780 A810 Q814 | S774-E776 VanDerWaalsContact C-N 3.25Å; S774-E776 WeakPolarHBondContact CB-OE2 3.46Å; S774-E776 PolarHBondContact O-N 3.17Å; S774-E776 PolarHBondContact OG-N 3.45Å; S774-E776 PolarHBondContact OG-OE2 3.43Å; E776-A779 PolarHBondContact O-N 3.48Å; E776-Q780 WeakPolarHBondContact O-CB 2.88Å; E776-Q780 PolarHBondContact O-N 3.41Å; E776-A810 HydrophobicContact CG-CB 4.5Å; E776-Q814 PolarHBondContact O-NE2 2.97Å; E776-Q814 VanDerWaalsContact O-NE2 3.15Å |
| 777 | S | 89.2 | Confident | 86 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 175.9 | -58 | 0 | 0 | 0 | 0 | 111.1 | S774 Q780 F781 | S774-S777 WeakPolarHBondContact O-CB 3.4Å; S774-S777 PolarHBondContact O-N 3.01Å; S774-S777 PolarHBondContact OG-N 3.3Å; S774-S777 VanDerWaalsContact OG-N 3.1Å; S774-S777 PolarHBondContact OG-OG 2.93Å; S777-Q780 PolarHBondContact O-N 2.87Å; S777-F781 WeakPolarHBondContact O-CB 3.49Å; S777-F781 PolarHBondContact O-N 2.72Å |
| 778 | V | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | L762 I771 S774 V775 Q780 F781 L782 V807 | L762-V778 HydrophobicContact CD1-CG1 3.8Å; L762-V778 HydrophobicContact CD2-CG1 3.71Å; L762-V778 HydrophobicContact CD2-CG2 4.23Å; L762-V778 HydrophobicContact CG-CG1 4.42Å; I771-V778 HydrophobicContact CG2-CG2 4.35Å; S774-V778 PolarHBondContact O-N 3.48Å; V775-V778 PolarHBondContact O-N 3.36Å; V778-Q780 PolarHBondContact O-N 2.96Å; V778-F781 WeakPolarHBondContact O-CB 3.28Å; V778-F781 PolarHBondContact O-N 3.29Å; V778-L782 HydrophobicContact CG1-CD1 4.48Å; V778-L782 WeakPolarHBondContact O-CG 3.35Å; V778-L782 PolarHBondContact O-N 3.37Å; V778-V807 HydrophobicContact CB-CG1 4.43Å; V778-V807 HydrophobicContact CB-CG2 4.41Å; V778-V807 HydrophobicContact CG1-CG1 3.84Å; V778-V807 HydrophobicContact CG1-CG2 4.13Å |
| 779 | A | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V775 E776 F781 L782 L783 A810 | V775-A779 WeakPolarHBondContact O-CB 3.26Å; V775-A779 PolarHBondContact O-N 2.98Å; E776-A779 PolarHBondContact O-N 3.48Å; A779-F781 VanDerWaalsContact C-N 3.34Å; A779-F781 PolarHBondContact O-N 3.33Å; A779-L782 PolarHBondContact O-N 3.09Å; A779-L783 PolarHBondContact O-N 3.37Å; A779-L783 VanDerWaalsContact O-N 3.14Å; A779-A810 HydrophobicContact CB-CB 3.79Å |
| 780 | Q | 88.8 | Confident | 85.8 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.4 | -171.8 | 68.6 | 27.1 | 0 | 0 | 111.4 | E776 S777 V778 L782 L783 V784 Q814 | E776-Q780 WeakPolarHBondContact O-CB 2.88Å; E776-Q780 PolarHBondContact O-N 3.41Å; S777-Q780 PolarHBondContact O-N 2.87Å; V778-Q780 PolarHBondContact O-N 2.96Å; Q780-L782 PolarHBondContact O-N 3.38Å; Q780-L783 PolarHBondContact O-N 2.85Å; Q780-V784 HydrophobicContact CG-CG2 4.18Å; Q780-V784 VanDerWaalsContact NE2-CG2 3.26Å; Q780-V784 WeakPolarHBondContact O-CG2 3.34Å; Q780-V784 PolarHBondContact O-N 3.02Å; Q780-Q814 VanDerWaalsContact OE1-CD 3.31Å |
| 781 | F | 89.4 | Confident | 85.8 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 7% | 0.07 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 175.4 | 164.2 | -110.2 | 0 | 0 | 0 | 111.9 | Y746 L750 L762 L765 I771 S777 V778 A779 L783 V784 E785 L788 | Y746-F781 AromaticContact CZ-CE2 3.91Å; Y746-F781 VanDerWaalsContact OH-CE2 3.28Å; Y746-F781 WeakPolarHBondContact OH-CE2 3.44Å; L750-F781 HydrophobicContact CD2-CE2 4.03Å; L750-F781 HydrophobicContact CD2-CZ 3.81Å; L762-F781 HydrophobicContact CD2-CD1 4.22Å; L762-F781 HydrophobicContact CD2-CE1 4.24Å; L765-F781 HydrophobicContact CD1-CE2 4.34Å; L765-F781 HydrophobicContact CD1-CZ 3.95Å; I771-F781 HydrophobicContact CD1-CB 4.05Å; I771-F781 HydrophobicContact CD1-CD1 3.59Å; I771-F781 HydrophobicContact CD1-CD2 3.52Å; I771-F781 HydrophobicContact CD1-CE1 3.78Å; I771-F781 HydrophobicContact CD1-CE2 3.73Å; I771-F781 HydrophobicContact CD1-CG 3.43Å; I771-F781 VanDerWaalsContact CD1-CG 3.43Å; I771-F781 HydrophobicContact CD1-CZ 3.83Å; I771-F781 HydrophobicContact CG1-CD2 4.2Å; I771-F781 HydrophobicContact CG1-CG 4.27Å; I771-F781 HydrophobicContact CG2-CB 4.37Å; S777-F781 WeakPolarHBondContact O-CB 3.49Å; S777-F781 PolarHBondContact O-N 2.72Å; V778-F781 WeakPolarHBondContact O-CB 3.28Å; V778-F781 PolarHBondContact O-N 3.29Å; A779-F781 VanDerWaalsContact C-N 3.34Å; A779-F781 PolarHBondContact O-N 3.33Å; F781-L783 PolarHBondContact O-N 3.43Å; F781-V784 PolarHBondContact O-N 3.33Å; F781-E785 HydrophobicContact CD2-CB 3.97Å; F781-E785 HydrophobicContact CD2-CG 4.48Å; F781-E785 HydrophobicContact CE2-CB 3.86Å; F781-E785 HydrophobicContact CE2-CG 3.88Å; F781-E785 VanDerWaalsContact O-CB 3.27Å; F781-E785 WeakPolarHBondContact O-CB 3.28Å; F781-E785 PolarHBondContact O-N 3Å; F781-L788 HydrophobicContact CD1-CD1 4.27Å; F781-L788 HydrophobicContact CE1-CD1 3.74Å; F781-L788 HydrophobicContact CE1-CD2 4.32Å; F781-L788 HydrophobicContact CE2-CD1 4.29Å; F781-L788 HydrophobicContact CZ-CD1 3.76Å; F781-L788 HydrophobicContact CZ-CD2 3.99Å; F781-L788 HydrophobicContact CZ-CG 4.28Å |
| 782 | L | 87.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -24.4 | 178.4 | -64.4 | 177 | 0 | 0 | 0 | 113.3 | F753 V778 A779 Q780 L788 I793 F796 L797 V807 Y811 | F753-L782 HydrophobicContact CE2-CD2 3.77Å; F753-L782 HydrophobicContact CZ-CD2 3.75Å; V778-L782 HydrophobicContact CG1-CD1 4.48Å; V778-L782 WeakPolarHBondContact O-CG 3.35Å; V778-L782 PolarHBondContact O-N 3.37Å; A779-L782 PolarHBondContact O-N 3.09Å; Q780-L782 PolarHBondContact O-N 3.38Å; L782-L788 HydrophobicContact CD2-CD1 3.88Å; L782-I793 HydrophobicContact CD2-CG1 4.36Å; L782-F796 HydrophobicContact CD1-CD1 3.91Å; L782-F796 HydrophobicContact CD1-CE1 3.96Å; L782-L797 HydrophobicContact CD1-CD2 3.86Å; L782-V807 HydrophobicContact CD1-CG1 3.95Å; L782-Y811 HydrophobicContact CB-CD2 3.96Å; L782-Y811 HydrophobicContact CB-CE2 3.88Å |
| 783 | L | 83.4 | Confident | 86.2 | Confident | 71 Ų | 71 | 53.7 Ų | 53.7 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -84.4 | -42.2 | 179.5 | -164.2 | 91.2 | 0 | 0 | 0 | 112.3 | A779 Q780 F781 Y811 F815 | A779-L783 PolarHBondContact O-N 3.37Å; A779-L783 VanDerWaalsContact O-N 3.14Å; Q780-L783 PolarHBondContact O-N 2.85Å; F781-L783 PolarHBondContact O-N 3.43Å; L783-Y811 HydrophobicContact CB-CE2 4.15Å; L783-Y811 HydrophobicContact CD1-CE2 3.91Å; L783-F815 HydrophobicContact CD1-CE1 4.1Å; L783-F815 HydrophobicContact CD1-CE2 3.63Å; L783-F815 HydrophobicContact CD1-CZ 3.34Å |
| 784 | V | 82.4 | Confident | 86.4 | Confident | 99 Ų | 99 | 45.7 Ų | 45.7 | 60% | 0.6 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -85.6 | -36.9 | -172.3 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | Q780 F781 D786 | Q780-V784 HydrophobicContact CG-CG2 4.18Å; Q780-V784 VanDerWaalsContact NE2-CG2 3.26Å; Q780-V784 WeakPolarHBondContact O-CG2 3.34Å; Q780-V784 PolarHBondContact O-N 3.02Å; F781-V784 PolarHBondContact O-N 3.33Å; V784-D786 PolarHBondContact O-N 2.93Å |
| 785 | E | 84.6 | Confident | 86.4 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | trans | -81.6 | 102.8 | -172.7 | -178.6 | 53.8 | -110.4 | 0 | 0 | 111.8 | Y746 L750 F781 R787 L788 | Y746-E785 VanDerWaalsContact CE1-OE2 3.3Å; Y746-E785 WeakPolarHBondContact CE1-OE2 3.46Å; Y746-E785 PolarHBondContact OH-OE2 3.43Å; L750-E785 HydrophobicContact CD2-CG 3.78Å; F781-E785 HydrophobicContact CD2-CB 3.97Å; F781-E785 HydrophobicContact CD2-CG 4.48Å; F781-E785 HydrophobicContact CE2-CB 3.86Å; F781-E785 HydrophobicContact CE2-CG 3.88Å; F781-E785 VanDerWaalsContact O-CB 3.27Å; F781-E785 WeakPolarHBondContact O-CB 3.28Å; F781-E785 PolarHBondContact O-N 3Å; E785-R787 VanDerWaalsContact C-N 3.33Å; E785-R787 PolarHBondContact O-N 3.49Å; E785-R787 WeakPolarHBondContact OE1-CB 3.44Å; E785-R787 WeakPolarHBondContact OE1-CG 3.46Å; E785-R787 IonicContact OE1-CZ 3.34Å; E785-R787 PolarHBondContact OE1-N 3.21Å; E785-R787 IonicContact OE1-NE 2.65Å; E785-R787 PolarHBondContact OE1-NE 3.46Å; E785-R787 IonicContact OE1-NH2 3.8Å; E785-R787 IonicContact OE2-CZ 2.69Å; E785-R787 IonicContact OE2-NE 2.96Å; E785-R787 PolarHBondContact OE2-NE 3.34Å; E785-R787 IonicContact OE2-NH2 3.28Å; E785-R787 PolarHBondContact OE2-NH2 2.98Å; E785-L788 HydrophobicContact CB-CD1 3.97Å; E785-L788 HydrophobicContact CB-CG 4.27Å; E785-L788 HydrophobicContact CG-CD1 4.1Å; E785-L788 HydrophobicContact CG-CG 3.87Å | ||
| 786 | D | 79.2 | Confident | 86.5 | Confident | 137 Ų | 137 | 44.7 Ų | 44.7 | 73% | 0.733 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -16.7 | -175.3 | 69.3 | -14.4 | 0 | 0 | 0 | 114 | V784 L788 | V784-D786 PolarHBondContact O-N 2.93Å; D786-L788 VanDerWaalsContact C-N 3.25Å; D786-L788 PolarHBondContact O-N 3.31Å |
| 787 | R | 81.6 | Confident | 86.5 | Confident | 76 Ų | 76 | 39.6 Ų | 39.6 | 29% | 0.287 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.2 | 178.1 | -60 | 176.4 | -71.6 | -169.9 | -8.4 | 113.5 | L620 L750 N754 E785 | L620-R787 PolarHBondContact O-NH1 3.05Å; L620-R787 PolarHBondContact O-NH2 2.92Å; L620-R787 VanDerWaalsContact O-NH2 3.14Å; L750-R787 HydrophobicContact CD1-CB 4.07Å; N754-R787 PolarHBondContact ND2-O 2.93Å; E785-R787 VanDerWaalsContact C-N 3.33Å; E785-R787 PolarHBondContact O-N 3.49Å; E785-R787 WeakPolarHBondContact OE1-CB 3.44Å; E785-R787 WeakPolarHBondContact OE1-CG 3.46Å; E785-R787 IonicContact OE1-CZ 3.34Å; E785-R787 PolarHBondContact OE1-N 3.21Å; E785-R787 IonicContact OE1-NE 2.65Å; E785-R787 PolarHBondContact OE1-NE 3.46Å; E785-R787 IonicContact OE1-NH2 3.8Å; E785-R787 IonicContact OE2-CZ 2.69Å; E785-R787 IonicContact OE2-NE 2.96Å; E785-R787 PolarHBondContact OE2-NE 3.34Å; E785-R787 IonicContact OE2-NH2 3.28Å; E785-R787 PolarHBondContact OE2-NH2 2.98Å |
| 788 | L | 83.5 | Confident | 86.5 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -74.6 | 138.1 | 175.4 | -68 | 169.9 | 0 | 0 | 0 | 110.9 | L750 F753 F781 L782 E785 D786 K790 I793 | L750-L788 HydrophobicContact CD2-CD2 3.62Å; L750-L788 HydrophobicContact CD2-CG 4.11Å; F753-L788 HydrophobicContact CB-CD2 3.77Å; F753-L788 HydrophobicContact CD1-CB 4.38Å; F753-L788 HydrophobicContact CD1-CD2 3.42Å; F753-L788 VanDerWaalsContact CD1-CD2 3.42Å; F753-L788 HydrophobicContact CD1-CG 4.41Å; F753-L788 HydrophobicContact CD2-CD2 4.08Å; F753-L788 HydrophobicContact CE1-CB 4.29Å; F753-L788 HydrophobicContact CE1-CD2 3.95Å; F753-L788 HydrophobicContact CG-CD2 3.49Å; F753-L788 VanDerWaalsContact CG-CD2 3.49Å; F753-L788 HydrophobicContact CZ-CD2 4.49Å; F781-L788 HydrophobicContact CD1-CD1 4.27Å; F781-L788 HydrophobicContact CE1-CD1 3.74Å; F781-L788 HydrophobicContact CE1-CD2 4.32Å; F781-L788 HydrophobicContact CE2-CD1 4.29Å; F781-L788 HydrophobicContact CZ-CD1 3.76Å; F781-L788 HydrophobicContact CZ-CD2 3.99Å; F781-L788 HydrophobicContact CZ-CG 4.28Å; L782-L788 HydrophobicContact CD2-CD1 3.88Å; E785-L788 HydrophobicContact CB-CD1 3.97Å; E785-L788 HydrophobicContact CB-CG 4.27Å; E785-L788 HydrophobicContact CG-CD1 4.1Å; E785-L788 HydrophobicContact CG-CG 3.87Å; D786-L788 VanDerWaalsContact C-N 3.25Å; D786-L788 PolarHBondContact O-N 3.31Å; L788-K790 PolarHBondContact O-N 3.5Å; L788-I793 HydrophobicContact CB-CD1 3.76Å; L788-I793 HydrophobicContact CB-CG1 4.12Å; L788-I793 HydrophobicContact CD1-CD1 4.36Å |
| 789 | S | 83.2 | Confident | 86.5 | Confident | 27 Ų | 27 | 41 Ų | 41 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | trans | -62.1 | 109.2 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 109.3 | N754 S791 H792 I793 | N754-S789 WeakPolarHBondContact OD1-CB 3.25Å; N754-S789 PolarHBondContact OD1-N 2.95Å; S789-S791 PolarHBondContact O-N 2.99Å; S789-S791 PolarHBondContact OG-N 2.79Å; S789-H792 VanDerWaalsContact CB-ND1 3.27Å; S789-H792 WeakPolarHBondContact CB-ND1 3.35Å; S789-H792 WeakPolarHBondContact O-CA 3.32Å; S789-H792 PolarHBondContact O-N 3.36Å; S789-H792 PolarHBondContact OG-N 2.93Å; S789-H792 PolarHBondContact OG-ND1 2.71Å; S789-I793 PolarHBondContact O-N 2.87Å | ||
| 790 | K | 85.1 | Confident | 86.4 | Confident | 113 Ų | 113 | 45.7 Ų | 45.7 | 49% | 0.491 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -49.9 | -28.5 | 173.3 | -64.5 | -167.4 | 178.4 | -166.4 | 0 | 112.8 | L788 G794 S831 F833 R834 | L788-K790 PolarHBondContact O-N 3.5Å; K790-G794 PolarHBondContact O-N 2.89Å; K790-S831 PolarHBondContact NZ-O 3.4Å; K790-F833 WeakPolarHBondContact O-CA 3.45Å; K790-R834 PolarHBondContact O-N 3.42Å |
| 791 | S | 83.7 | Confident | 86.4 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.9 | -43.6 | 173.8 | -157.2 | 0 | 0 | 0 | 0 | 113 | S789 H795 | S789-S791 PolarHBondContact O-N 2.99Å; S789-S791 PolarHBondContact OG-N 2.79Å; S791-H795 PolarHBondContact O-CD2 2.86Å; S791-H795 VanDerWaalsContact O-CD2 3.23Å; S791-H795 PolarHBondContact O-N 2.72Å; S791-H795 VanDerWaalsContact O-N 3.16Å |
| 792 | H | 86.6 | Confident | 86.3 | Confident | 38 Ų | 38 | 50.4 Ų | 50.4 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.9 | -32.7 | 178.8 | -62.4 | 135.2 | 0 | 0 | 0 | 111.8 | F753 N754 S789 H795 F796 | F753-H792 HydrophobicContact CD1-CB 4.03Å; F753-H792 HydrophobicContact CE1-CB 3.64Å; F753-H792 HydrophobicContact CZ-CB 4.47Å; N754-H792 PolarHBondContact O-CE1 2.95Å; N754-H792 PolarHBondContact O-ND1 3.25Å; S789-H792 VanDerWaalsContact CB-ND1 3.27Å; S789-H792 WeakPolarHBondContact CB-ND1 3.35Å; S789-H792 WeakPolarHBondContact O-CA 3.32Å; S789-H792 PolarHBondContact O-N 3.36Å; S789-H792 PolarHBondContact OG-N 2.93Å; S789-H792 PolarHBondContact OG-ND1 2.71Å; H792-H795 PolarHBondContact O-N 3.45Å; H792-F796 VanDerWaalsContact O-CB 3.24Å; H792-F796 WeakPolarHBondContact O-CB 3.47Å; H792-F796 PolarHBondContact O-N 3.07Å |
| 793 | I | 88.4 | Confident | 86.5 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58 | -51.5 | 171.3 | -61.1 | 172.9 | 0 | 0 | 0 | 109.9 | F753 L782 L788 S789 H795 F796 L797 F833 | F753-I793 HydrophobicContact CE1-CG1 3.86Å; F753-I793 HydrophobicContact CZ-CG1 3.95Å; L782-I793 HydrophobicContact CD2-CG1 4.36Å; L788-I793 HydrophobicContact CB-CD1 3.76Å; L788-I793 HydrophobicContact CB-CG1 4.12Å; L788-I793 HydrophobicContact CD1-CD1 4.36Å; S789-I793 PolarHBondContact O-N 2.87Å; I793-H795 PolarHBondContact O-N 3.29Å; I793-F796 PolarHBondContact O-N 2.78Å; I793-L797 HydrophobicContact CG2-CD1 3.7Å; I793-L797 HydrophobicContact CG2-CG 4.17Å; I793-L797 WeakPolarHBondContact O-CG 3.23Å; I793-L797 PolarHBondContact O-N 3.15Å; I793-F833 HydrophobicContact CB-CB 4.01Å; I793-F833 HydrophobicContact CG2-CB 3.78Å |
| 794 | G | 88 | Confident | 86.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K790 G798 P836 | K790-G794 PolarHBondContact O-N 2.89Å; G794-G798 PolarHBondContact O-N 3.29Å; G794-G798 VanDerWaalsContact O-N 3.08Å; G794-P836 VanDerWaalsContact O-CG 3.24Å; G794-P836 WeakPolarHBondContact O-CG 3.1Å |
| 795 | H | 88 | Confident | 87.4 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 175.6 | -83.6 | -70.5 | 0 | 0 | 0 | 112.3 | S791 H792 I793 G798 E799 E838 | S791-H795 PolarHBondContact O-CD2 2.86Å; S791-H795 VanDerWaalsContact O-CD2 3.23Å; S791-H795 PolarHBondContact O-N 2.72Å; S791-H795 VanDerWaalsContact O-N 3.16Å; H792-H795 PolarHBondContact O-N 3.45Å; I793-H795 PolarHBondContact O-N 3.29Å; H795-G798 PolarHBondContact O-N 2.77Å; H795-E799 WeakPolarHBondContact O-CG 3.35Å; H795-E799 PolarHBondContact O-N 3.34Å; H795-E838 IonicContact CE1-OE2 2.71Å; H795-E838 PolarHBondContact CE1-OE2 2.66Å; H795-E838 IonicContact ND1-OE2 2.95Å; H795-E838 PolarHBondContact ND1-OE2 2.86Å |
| 796 | F | 90.9 | Very high | 87.7 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | -179.6 | 178.3 | -98.6 | 0 | 0 | 0 | 112.7 | P758 L759 L762 L782 H792 I793 G798 E799 Y803 N804 V807 | P758-F796 HydrophobicContact CB-CD2 3.46Å; P758-F796 VanDerWaalsContact CB-CD2 3.46Å; P758-F796 HydrophobicContact CB-CE2 3.8Å; P758-F796 HydrophobicContact CB-CG 4.22Å; P758-F796 HydrophobicContact CG-CD2 3.48Å; P758-F796 VanDerWaalsContact CG-CD2 3.48Å; P758-F796 HydrophobicContact CG-CE2 4.03Å; P758-F796 HydrophobicContact CG-CG 4.43Å; L759-F796 HydrophobicContact CD2-CE2 4.37Å; L762-F796 HydrophobicContact CD1-CE1 4.43Å; L762-F796 HydrophobicContact CD1-CE2 4.22Å; L762-F796 HydrophobicContact CD1-CZ 3.66Å; L782-F796 HydrophobicContact CD1-CD1 3.91Å; L782-F796 HydrophobicContact CD1-CE1 3.96Å; H792-F796 VanDerWaalsContact O-CB 3.24Å; H792-F796 WeakPolarHBondContact O-CB 3.47Å; H792-F796 PolarHBondContact O-N 3.07Å; I793-F796 PolarHBondContact O-N 2.78Å; F796-G798 VanDerWaalsContact C-N 3.26Å; F796-G798 PolarHBondContact O-N 3.48Å; F796-E799 PolarHBondContact O-N 3.43Å; F796-Y803 HydrophobicContact CZ-CE1 4.16Å; F796-N804 WeakPolarHBondContact CD2-ND2 3.21Å; F796-N804 WeakPolarHBondContact CE2-ND2 3.29Å; F796-N804 PolarHBondContact O-ND2 3.4Å; F796-V807 HydrophobicContact CE1-CB 4.38Å; F796-V807 HydrophobicContact CE1-CG1 4.01Å |
| 797 | L | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.1 | -26.1 | 177.5 | -63.9 | 175.1 | 0 | 0 | 0 | 112.3 | L782 I793 V807 M808 Y811 F833 L845 | L782-L797 HydrophobicContact CD1-CD2 3.86Å; I793-L797 HydrophobicContact CG2-CD1 3.7Å; I793-L797 HydrophobicContact CG2-CG 4.17Å; I793-L797 WeakPolarHBondContact O-CG 3.23Å; I793-L797 PolarHBondContact O-N 3.15Å; L797-V807 HydrophobicContact CD2-CG1 4.17Å; L797-M808 HydrophobicContact CB-CB 4.38Å; L797-M808 HydrophobicContact CB-CG 4.3Å; L797-M808 HydrophobicContact CD2-CB 4.31Å; L797-M808 WeakPolarHBondContact O-CB 3.21Å; L797-M808 WeakPolarHBondContact O-CG 3.12Å; L797-Y811 HydrophobicContact CD1-CD1 3.63Å; L797-Y811 HydrophobicContact CD1-CD2 4.13Å; L797-Y811 HydrophobicContact CD1-CE1 3.75Å; L797-Y811 HydrophobicContact CD1-CE2 4.22Å; L797-Y811 HydrophobicContact CD1-CG 3.83Å; L797-Y811 HydrophobicContact CD2-CD2 4.44Å; L797-Y811 HydrophobicContact CD2-CG 4.12Å; L797-F833 HydrophobicContact CD1-CD1 4.16Å; L797-L845 HydrophobicContact CB-CD2 3.89Å |
| 798 | G | 89.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -82.7 | -11.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | G794 H795 F796 K841 R844 | G794-G798 PolarHBondContact O-N 3.29Å; G794-G798 VanDerWaalsContact O-N 3.08Å; H795-G798 PolarHBondContact O-N 2.77Å; F796-G798 VanDerWaalsContact C-N 3.26Å; F796-G798 PolarHBondContact O-N 3.48Å; G798-K841 VanDerWaalsContact O-CG 3.27Å; G798-K841 WeakPolarHBondContact O-CG 3.35Å; G798-R844 PolarHBondContact O-NH1 3.21Å |
| 799 | E | 90.3 | Very high | 89.4 | Confident | 75 Ų | 75 | 51.2 Ų | 51.2 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | trans | -64.9 | 147.8 | -178.2 | -73.6 | -56.8 | 163 | 0 | 0 | 113 | H795 F796 E801 N804 K841 | H795-E799 WeakPolarHBondContact O-CG 3.35Å; H795-E799 PolarHBondContact O-N 3.34Å; F796-E799 PolarHBondContact O-N 3.43Å; E799-E801 VanDerWaalsContact C-N 3.26Å; E799-E801 PolarHBondContact O-N 3.27Å; E799-N804 HydrophobicContact CB-CB 3.91Å; E799-K841 VanDerWaalsContact CD-NZ 3.32Å; E799-K841 WeakPolarHBondContact OE1-CE 3.38Å; E799-K841 IonicContact OE1-NZ 3.58Å; E799-K841 PolarHBondContact OE1-NZ 3.31Å; E799-K841 IonicContact OE2-NZ 2.66Å | ||
| 800 | N | 87.7 | Confident | 89.8 | Confident | 98 Ų | 98 | 50.6 Ų | 50.6 | 52% | 0.524 | 24% | 0.238 | S | C | . | . | trans | -87.9 | 13.5 | -178 | -159 | 36.5 | 0 | 0 | 0 | 114.1 | R844 | N800-R844 PolarHBondContact OD1-NE 3.06Š| ||
| 801 | E | 90 | Very high | 90.2 | Very high | 120 Ų | 120 | 45.3 Ų | 45.3 | 56% | 0.561 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -78.9 | 141.6 | 179.5 | -77.5 | -63.6 | 163 | 0 | 0 | 110.6 | E799 Y803 N804 L805 | E799-E801 VanDerWaalsContact C-N 3.26Å; E799-E801 PolarHBondContact O-N 3.27Å; E801-Y803 PolarHBondContact O-N 2.87Å; E801-Y803 VanDerWaalsContact O-N 3.1Å; E801-N804 HydrophobicContact CB-CB 4.29Å; E801-N804 WeakPolarHBondContact CB-OD1 3.4Å; E801-N804 PolarHBondContact O-N 3.16Å; E801-L805 PolarHBondContact O-N 2.87Å |
| 802 | P | 87.6 | Confident | 90.6 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 55% | 0.552 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -55.4 | -34.8 | -175 | -26.6 | 34.2 | 0 | 0 | 0 | 114 | R806 | P802-R806 WeakPolarHBondContact O-CG 3.46Å; P802-R806 PolarHBondContact O-N 2.91Å |
| 803 | Y | 91.2 | Very high | 90.8 | Very high | 72 Ų | 72 | 45 Ų | 45 | 28% | 0.282 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.2 | -49.5 | 176.8 | 179.7 | -104 | 0 | 0 | 0 | 111.6 | L759 L762 V775 F796 E801 L805 R806 V807 | L759-Y803 HydrophobicContact CD2-CD1 3.88Å; L759-Y803 HydrophobicContact CD2-CE1 4.01Å; L762-Y803 HydrophobicContact CD1-CE1 3.97Å; V775-Y803 HydrophobicContact CG1-CE2 4.27Å; F796-Y803 HydrophobicContact CZ-CE1 4.16Å; E801-Y803 PolarHBondContact O-N 2.87Å; E801-Y803 VanDerWaalsContact O-N 3.1Å; Y803-L805 VanDerWaalsContact C-N 3.31Å; Y803-L805 PolarHBondContact O-N 3.18Å; Y803-R806 PolarHBondContact O-N 2.78Å; Y803-R806 VanDerWaalsContact O-N 3.16Å; Y803-V807 HydrophobicContact CD1-CG2 4.43Å; Y803-V807 HydrophobicContact CE1-CG2 4.06Å; Y803-V807 HydrophobicContact CE2-CG2 4.39Å; Y803-V807 WeakPolarHBondContact O-CG2 3.22Å; Y803-V807 PolarHBondContact O-N 2.83Å |
| 804 | N | 92.4 | Very high | 90.8 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 177.6 | -68.4 | 76.6 | 0 | 0 | 0 | 112.2 | F796 E799 E801 V807 M808 | F796-N804 WeakPolarHBondContact CD2-ND2 3.21Å; F796-N804 WeakPolarHBondContact CE2-ND2 3.29Å; F796-N804 PolarHBondContact O-ND2 3.4Å; E799-N804 HydrophobicContact CB-CB 3.91Å; E801-N804 HydrophobicContact CB-CB 4.29Å; E801-N804 WeakPolarHBondContact CB-OD1 3.4Å; E801-N804 PolarHBondContact O-N 3.16Å; N804-V807 PolarHBondContact O-N 3.39Å; N804-M808 WeakPolarHBondContact O-CB 3.17Å; N804-M808 PolarHBondContact O-N 3.36Å |
| 805 | L | 91.7 | Very high | 90.8 | Very high | 47 Ų | 47 | 48.5 Ų | 48.5 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 175.3 | -71.6 | 171.6 | 0 | 0 | 0 | 111.5 | E801 Y803 V807 M808 Y809 | E801-L805 PolarHBondContact O-N 2.87Å; Y803-L805 VanDerWaalsContact C-N 3.31Å; Y803-L805 PolarHBondContact O-N 3.18Å; L805-V807 VanDerWaalsContact C-N 3.33Å; L805-V807 PolarHBondContact O-N 2.65Å; L805-M808 HydrophobicContact CD2-CE 4.1Å; L805-M808 PolarHBondContact O-N 3.37Å; L805-Y809 WeakPolarHBondContact O-CD2 3.47Å; L805-Y809 PolarHBondContact O-N 3.11Å |
| 806 | R | 91.5 | Very high | 90.8 | Very high | 174 Ų | 174 | 50.7 Ų | 50.7 | 66% | 0.657 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.3 | -42.2 | 176.7 | -72.2 | 176.2 | -176.4 | -173.2 | 1.3 | 112.2 | V775 P802 Y803 Y809 A810 | V775-R806 HydrophobicContact CG1-CB 4.15Å; P802-R806 WeakPolarHBondContact O-CG 3.46Å; P802-R806 PolarHBondContact O-N 2.91Å; Y803-R806 PolarHBondContact O-N 2.78Å; Y803-R806 VanDerWaalsContact O-N 3.16Å; R806-Y809 PolarHBondContact O-N 3.43Å; R806-A810 PolarHBondContact O-N 3.11Å |
| 807 | V | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 111 | V775 V778 L782 F796 L797 Y803 N804 L805 Y809 A810 Y811 | V775-V807 HydrophobicContact CB-CG2 4.25Å; V775-V807 HydrophobicContact CG1-CG2 4.24Å; V778-V807 HydrophobicContact CB-CG1 4.43Å; V778-V807 HydrophobicContact CB-CG2 4.41Å; V778-V807 HydrophobicContact CG1-CG1 3.84Å; V778-V807 HydrophobicContact CG1-CG2 4.13Å; L782-V807 HydrophobicContact CD1-CG1 3.95Å; F796-V807 HydrophobicContact CE1-CB 4.38Å; F796-V807 HydrophobicContact CE1-CG1 4.01Å; L797-V807 HydrophobicContact CD2-CG1 4.17Å; Y803-V807 HydrophobicContact CD1-CG2 4.43Å; Y803-V807 HydrophobicContact CE1-CG2 4.06Å; Y803-V807 HydrophobicContact CE2-CG2 4.39Å; Y803-V807 WeakPolarHBondContact O-CG2 3.22Å; Y803-V807 PolarHBondContact O-N 2.83Å; N804-V807 PolarHBondContact O-N 3.39Å; L805-V807 VanDerWaalsContact C-N 3.33Å; L805-V807 PolarHBondContact O-N 2.65Å; V807-Y809 VanDerWaalsContact C-N 3.35Å; V807-Y809 PolarHBondContact O-N 2.84Å; V807-A810 PolarHBondContact O-N 3.48Å; V807-Y811 VanDerWaalsContact O-CB 3.28Å; V807-Y811 WeakPolarHBondContact O-CB 3.36Å; V807-Y811 PolarHBondContact O-N 2.87Å |
| 808 | M | 93.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 175.7 | -179 | -82.3 | -71.4 | 0 | 0 | 112 | L797 N804 L805 Y811 V812 L845 K848 | L797-M808 HydrophobicContact CB-CB 4.38Å; L797-M808 HydrophobicContact CB-CG 4.3Å; L797-M808 HydrophobicContact CD2-CB 4.31Å; L797-M808 WeakPolarHBondContact O-CB 3.21Å; L797-M808 WeakPolarHBondContact O-CG 3.12Å; N804-M808 WeakPolarHBondContact O-CB 3.17Å; N804-M808 PolarHBondContact O-N 3.36Å; L805-M808 HydrophobicContact CD2-CE 4.1Å; L805-M808 PolarHBondContact O-N 3.37Å; M808-Y811 PolarHBondContact O-N 3.21Å; M808-V812 WeakPolarHBondContact O-CG2 3.4Å; M808-V812 PolarHBondContact O-N 3.48Å; M808-V812 HydrophobicContact SD-CG2 4.12Å; M808-L845 HydrophobicContact CG-CD2 3.74Å; M808-K848 HydrophobicContact CE-CB 4.25Å; M808-K848 HydrophobicContact SD-CB 3.71Å; M808-K848 HydrophobicContact SD-CG 3.64Å |
| 809 | Y | 93.7 | Very high | 90.3 | Very high | 123 Ų | 123 | 60.9 Ų | 60.9 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -50.4 | 175.2 | -85.1 | -120.5 | 0 | 0 | 0 | 111 | L805 R806 V807 Y811 V812 D813 K848 | L805-Y809 WeakPolarHBondContact O-CD2 3.47Å; L805-Y809 PolarHBondContact O-N 3.11Å; R806-Y809 PolarHBondContact O-N 3.43Å; V807-Y809 VanDerWaalsContact C-N 3.35Å; V807-Y809 PolarHBondContact O-N 2.84Å; Y809-Y811 VanDerWaalsContact C-N 3.31Å; Y809-Y811 PolarHBondContact O-N 3.31Å; Y809-V812 PolarHBondContact O-N 2.78Å; Y809-D813 VanDerWaalsContact O-CB 3.28Å; Y809-D813 WeakPolarHBondContact O-CB 3.32Å; Y809-D813 PolarHBondContact O-N 2.89Å; Y809-D813 VanDerWaalsContact O-OD2 3.05Å; Y809-K848 HydrophobicContact CD1-CD 4.06Å; Y809-K848 HydrophobicContact CD2-CD 4.5Å; Y809-K848 HydrophobicContact CE1-CD 4.1Å; Y809-K848 HydrophobicContact CG-CD 4.27Å |
| 810 | A | 92.2 | Very high | 90 | Very high | 14 Ų | 14 | 60.5 Ų | 60.5 | 12% | 0.116 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V775 E776 A779 R806 V807 D813 Q814 | V775-A810 HydrophobicContact CG2-CB 4.44Å; E776-A810 HydrophobicContact CG-CB 4.5Å; A779-A810 HydrophobicContact CB-CB 3.79Å; R806-A810 PolarHBondContact O-N 3.11Å; V807-A810 PolarHBondContact O-N 3.48Å; A810-D813 PolarHBondContact O-N 2.71Å; A810-Q814 WeakPolarHBondContact O-CG 3.19Å; A810-Q814 PolarHBondContact O-N 3.32Å |
| 811 | Y | 93.1 | Very high | 90 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 177.4 | -177 | -87.4 | 0 | 0 | 0 | 112 | L782 L783 L797 V807 M808 Y809 D813 Q814 F815 F829 F833 | L782-Y811 HydrophobicContact CB-CD2 3.96Å; L782-Y811 HydrophobicContact CB-CE2 3.88Å; L783-Y811 HydrophobicContact CB-CE2 4.15Å; L783-Y811 HydrophobicContact CD1-CE2 3.91Å; L797-Y811 HydrophobicContact CD1-CD1 3.63Å; L797-Y811 HydrophobicContact CD1-CD2 4.13Å; L797-Y811 HydrophobicContact CD1-CE1 3.75Å; L797-Y811 HydrophobicContact CD1-CE2 4.22Å; L797-Y811 HydrophobicContact CD1-CG 3.83Å; L797-Y811 HydrophobicContact CD2-CD2 4.44Å; L797-Y811 HydrophobicContact CD2-CG 4.12Å; V807-Y811 VanDerWaalsContact O-CB 3.28Å; V807-Y811 WeakPolarHBondContact O-CB 3.36Å; V807-Y811 PolarHBondContact O-N 2.87Å; M808-Y811 PolarHBondContact O-N 3.21Å; Y809-Y811 VanDerWaalsContact C-N 3.31Å; Y809-Y811 PolarHBondContact O-N 3.31Å; Y811-D813 VanDerWaalsContact C-N 3.33Å; Y811-Q814 PolarHBondContact O-N 3.45Å; Y811-F815 AromaticContact CD1-CE2 3.91Å; Y811-F815 HydrophobicContact CD1-CE2 3.91Å; Y811-F815 AromaticContact CE1-CE2 3.56Å; Y811-F815 HydrophobicContact CE1-CE2 3.56Å; Y811-F815 AromaticContact CE1-CZ 3.99Å; Y811-F815 HydrophobicContact CE1-CZ 3.99Å; Y811-F815 VanDerWaalsContact O-CD2 3.27Å; Y811-F815 WeakPolarHBondContact O-CD2 3.48Å; Y811-F815 WeakPolarHBondContact O-CE2 3.39Å; Y811-F829 HydrophobicContact CD1-CE2 4.46Å; Y811-F829 HydrophobicContact CE1-CE2 4.27Å; Y811-F833 AromaticContact CE1-CD1 3.99Å; Y811-F833 HydrophobicContact CE1-CD1 3.99Å; Y811-F833 HydrophobicContact CE1-CE1 4.07Å |
| 812 | V | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.2 | -35 | 178.2 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | M808 Y809 Q814 F815 F829 K848 R852 | M808-V812 WeakPolarHBondContact O-CG2 3.4Å; M808-V812 PolarHBondContact O-N 3.48Å; M808-V812 HydrophobicContact SD-CG2 4.12Å; Y809-V812 PolarHBondContact O-N 2.78Å; V812-Q814 PolarHBondContact O-N 3.06Å; V812-F815 PolarHBondContact O-N 3.4Å; V812-F815 VanDerWaalsContact O-N 3.15Å; V812-F829 HydrophobicContact CG1-CE2 4.46Å; V812-F829 HydrophobicContact CG2-CE2 3.75Å; V812-F829 HydrophobicContact CG2-CZ 3.93Å; V812-K848 HydrophobicContact CB-CG 3.78Å; V812-K848 HydrophobicContact CG1-CG 3.89Å; V812-K848 HydrophobicContact CG2-CB 4.45Å; V812-K848 HydrophobicContact CG2-CG 3.76Å; V812-R852 HydrophobicContact CG1-CB 3.68Å; V812-R852 HydrophobicContact CG1-CG 3.96Å |
| 813 | D | 90.3 | Very high | 90.1 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.2 | -10.9 | -178.7 | -70.7 | -32.5 | 0 | 0 | 0 | 113.9 | Y809 A810 Y811 K848 R852 | Y809-D813 VanDerWaalsContact O-CB 3.28Å; Y809-D813 WeakPolarHBondContact O-CB 3.32Å; Y809-D813 PolarHBondContact O-N 2.89Å; Y809-D813 VanDerWaalsContact O-OD2 3.05Å; A810-D813 PolarHBondContact O-N 2.71Å; Y811-D813 VanDerWaalsContact C-N 3.33Å; D813-K848 VanDerWaalsContact CG-NZ 3.27Å; D813-K848 WeakPolarHBondContact OD1-CE 3.28Å; D813-K848 IonicContact OD1-NZ 2.98Å; D813-K848 PolarHBondContact OD1-NZ 2.71Å; D813-K848 IonicContact OD2-NZ 3.86Å; D813-K848 PolarHBondContact OD2-NZ 3.16Å; D813-R852 PolarHBondContact O-NH1 3.25Å; D813-R852 PolarHBondContact O-NH2 3.26Å; D813-R852 IonicContact OD1-CZ 3.75Å; D813-R852 IonicContact OD1-NH1 2.72Å; D813-R852 PolarHBondContact OD1-NH1 3.06Å |
| 814 | Q | 88.9 | Confident | 89.9 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 29% | 0.285 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -15.3 | 170.2 | -76 | 178.5 | 9.9 | 0 | 0 | 113.7 | E776 Q780 A810 Y811 V812 | E776-Q814 PolarHBondContact O-NE2 2.97Å; E776-Q814 VanDerWaalsContact O-NE2 3.15Å; Q780-Q814 VanDerWaalsContact OE1-CD 3.31Å; A810-Q814 WeakPolarHBondContact O-CG 3.19Å; A810-Q814 PolarHBondContact O-N 3.32Å; Y811-Q814 PolarHBondContact O-N 3.45Å; V812-Q814 PolarHBondContact O-N 3.06Å |
| 815 | F | 88.7 | Confident | 89.8 | Confident | 16 Ų | 16 | 48 Ų | 48 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | trans | -81.2 | 132.4 | 176.5 | -68.6 | -94.7 | 0 | 0 | 0 | 111 | L783 Y811 V812 F817 E828 F829 R852 | L783-F815 HydrophobicContact CD1-CE1 4.1Å; L783-F815 HydrophobicContact CD1-CE2 3.63Å; L783-F815 HydrophobicContact CD1-CZ 3.34Å; Y811-F815 AromaticContact CD1-CE2 3.91Å; Y811-F815 HydrophobicContact CD1-CE2 3.91Å; Y811-F815 AromaticContact CE1-CE2 3.56Å; Y811-F815 HydrophobicContact CE1-CE2 3.56Å; Y811-F815 AromaticContact CE1-CZ 3.99Å; Y811-F815 HydrophobicContact CE1-CZ 3.99Å; Y811-F815 VanDerWaalsContact O-CD2 3.27Å; Y811-F815 WeakPolarHBondContact O-CD2 3.48Å; Y811-F815 WeakPolarHBondContact O-CE2 3.39Å; V812-F815 PolarHBondContact O-N 3.4Å; V812-F815 VanDerWaalsContact O-N 3.15Å; F815-F817 HydrophobicContact CB-CD1 4.34Å; F815-F817 HydrophobicContact CB-CD2 4.31Å; F815-F817 HydrophobicContact CB-CE1 3.69Å; F815-F817 HydrophobicContact CB-CE2 3.64Å; F815-F817 HydrophobicContact CB-CZ 3.28Å; F815-F817 AromaticContact CD1-CE1 3.95Å; F815-F817 HydrophobicContact CD1-CE1 3.95Å; F815-F817 AromaticContact CD1-CZ 3.94Å; F815-F817 HydrophobicContact CD1-CZ 3.94Å; F815-F817 HydrophobicContact CG-CE1 4.1Å; F815-F817 HydrophobicContact CG-CE2 4.42Å; F815-F817 AromaticContact CG-CZ 3.68Å; F815-F817 HydrophobicContact CG-CZ 3.68Å; F815-E828 HydrophobicContact CD1-CG 4.32Å; F815-E828 HydrophobicContact CE1-CG 4.3Å; F815-F829 HydrophobicContact CD2-CD2 4.24Å; F815-F829 AromaticContact CE2-CD2 3.99Å; F815-F829 HydrophobicContact CE2-CD2 3.99Å; F815-F829 HydrophobicContact CE2-CE2 4.34Å; F815-F829 HydrophobicContact CZ-CD2 4.18Å; F815-R852 PolarHBondContact O-NE 2.81Å; F815-R852 VanDerWaalsContact O-NE 3.1Å; F815-R852 PolarHBondContact O-NH2 3.17Å; F815-R852 VanDerWaalsContact O-NH2 3.08Å | ||
| 816 | D | 88 | Confident | 89.7 | Confident | 99 Ų | 99 | 45.8 Ų | 45.8 | 53% | 0.529 | 23% | 0.226 | S | C | . | . | trans | -102.8 | 109.9 | 168.3 | -172.1 | 5 | 0 | 0 | 0 | 109.9 | T818 K820 | D816-T818 VanDerWaalsContact OD1-CB 3.3Å; D816-T818 WeakPolarHBondContact OD1-CB 3.27Å; D816-T818 PolarHBondContact OD1-N 2.99Å; D816-T818 PolarHBondContact OD1-OG1 3.35Å; D816-T818 VanDerWaalsContact OD1-OG1 3.13Å; D816-K820 PolarHBondContact O-NZ 3.42Å | ||
| 817 | F | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -103.9 | 11.1 | 179.1 | -57.1 | -53.1 | 0 | 0 | 0 | 112.8 | F815 D819 K820 A825 F829 F849 R852 Y853 C856 N857 | F815-F817 HydrophobicContact CB-CD1 4.34Å; F815-F817 HydrophobicContact CB-CD2 4.31Å; F815-F817 HydrophobicContact CB-CE1 3.69Å; F815-F817 HydrophobicContact CB-CE2 3.64Å; F815-F817 HydrophobicContact CB-CZ 3.28Å; F815-F817 AromaticContact CD1-CE1 3.95Å; F815-F817 HydrophobicContact CD1-CE1 3.95Å; F815-F817 AromaticContact CD1-CZ 3.94Å; F815-F817 HydrophobicContact CD1-CZ 3.94Å; F815-F817 HydrophobicContact CG-CE1 4.1Å; F815-F817 HydrophobicContact CG-CE2 4.42Å; F815-F817 AromaticContact CG-CZ 3.68Å; F815-F817 HydrophobicContact CG-CZ 3.68Å; F817-D819 PolarHBondContact O-N 2.92Å; F817-K820 PolarHBondContact O-N 3.18Å; F817-A825 HydrophobicContact CB-CB 4.28Å; F817-A825 HydrophobicContact CD1-CB 3.62Å; F817-A825 HydrophobicContact CE1-CB 4.14Å; F817-A825 HydrophobicContact CG-CB 4.06Å; F817-F829 HydrophobicContact CE1-CB 4.49Å; F817-F829 HydrophobicContact CZ-CB 4.07Å; F817-F829 HydrophobicContact CZ-CD2 4.5Å; F817-F849 HydrophobicContact CE1-CE2 4.39Å; F817-F849 AromaticContact CE2-CD2 3.95Å; F817-F849 HydrophobicContact CE2-CD2 3.95Å; F817-F849 AromaticContact CE2-CE2 3.97Å; F817-F849 HydrophobicContact CE2-CE2 3.97Å; F817-F849 HydrophobicContact CZ-CD2 4.01Å; F817-F849 AromaticContact CZ-CE2 3.87Å; F817-F849 HydrophobicContact CZ-CE2 3.87Å; F817-R852 HydrophobicContact CD2-CG 3.91Å; F817-R852 HydrophobicContact CE2-CB 4.39Å; F817-R852 HydrophobicContact CE2-CG 3.88Å; F817-Y853 HydrophobicContact CB-CD2 4Å; F817-Y853 HydrophobicContact CG-CD2 4.4Å; F817-C856 HydrophobicContact CB-CB 3.99Å; F817-N857 PolarHBondContact O-ND2 3.17Å; F817-N857 PolarHBondContact O-OD1 3.38Å | ||
| 818 | T | 86.1 | Confident | 89.2 | Confident | 65 Ų | 65 | 43.7 Ų | 43.7 | 40% | 0.399 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 131.7 | 178.1 | -66.6 | 0 | 0 | 0 | 0 | 110.5 | D816 K820 C856 | D816-T818 VanDerWaalsContact OD1-CB 3.3Å; D816-T818 WeakPolarHBondContact OD1-CB 3.27Å; D816-T818 PolarHBondContact OD1-N 2.99Å; D816-T818 PolarHBondContact OD1-OG1 3.35Å; D816-T818 VanDerWaalsContact OD1-OG1 3.13Å; T818-K820 PolarHBondContact O-N 2.98Å; T818-K820 VanDerWaalsContact O-N 3.08Å; T818-C856 PolarHBondContact OG1-O 3.39Å |
| 819 | D | 83 | Confident | 89 | Confident | 155 Ų | 155 | 43.5 Ų | 43.5 | 83% | 0.829 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 14.4 | -178.9 | -57.5 | -38.3 | 0 | 0 | 0 | 115.4 | F817 N857 | F817-D819 PolarHBondContact O-N 2.92Å; D819-N857 PolarHBondContact N-OD1 3.47Å; D819-N857 VanDerWaalsContact N-OD1 3.09Å |
| 820 | K | 84.9 | Confident | 88.7 | Confident | 67 Ų | 67 | 38.7 Ų | 38.7 | 29% | 0.291 | 20% | 0.202 | S | C | . | . | trans | -91.9 | 137.4 | 171.7 | -68.6 | -178.7 | -176.8 | 154.6 | 0 | 110.9 | D816 F817 T818 A825 E828 Y853 | D816-K820 PolarHBondContact O-NZ 3.42Å; F817-K820 PolarHBondContact O-N 3.18Å; T818-K820 PolarHBondContact O-N 2.98Å; T818-K820 VanDerWaalsContact O-N 3.08Å; K820-A825 HydrophobicContact CB-CB 4.17Å; K820-E828 VanDerWaalsContact CD-OE2 3.28Å; K820-E828 WeakPolarHBondContact CD-OE2 3.38Å; K820-E828 VanDerWaalsContact CE-OE2 3.27Å; K820-E828 WeakPolarHBondContact CE-OE2 3.3Å; K820-E828 IonicContact NZ-OE1 2.76Å; K820-E828 PolarHBondContact NZ-OE1 3.22Å; K820-E828 IonicContact NZ-OE2 2.64Å; K820-E828 PolarHBondContact NZ-OE2 3.42Å; K820-Y853 WeakPolarHBondContact O-CE2 3.26Å; K820-Y853 PolarHBondContact O-OH 3.14Å | ||
| 821 | D | 88.2 | Confident | 88.4 | Confident | 72 Ų | 72 | 41.3 Ų | 41.3 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | trans | -66.1 | 154.4 | 169.5 | 67.4 | -69.8 | 0 | 0 | 0 | 110.7 | V823 S824 A825 | D821-V823 VanDerWaalsContact C-N 3.28Å; D821-V823 PolarHBondContact O-N 3.32Å; D821-V823 PolarHBondContact OD2-N 3.3Å; D821-S824 PolarHBondContact O-N 3.48Å; D821-S824 WeakPolarHBondContact OD1-CB 3.38Å; D821-S824 PolarHBondContact OD1-OG 3.14Å; D821-S824 PolarHBondContact OD2-N 2.86Å; D821-S824 PolarHBondContact OD2-OG 3.23Å; D821-S824 VanDerWaalsContact OD2-OG 3.09Å; D821-A825 WeakPolarHBondContact O-CB 3.5Å; D821-A825 PolarHBondContact O-N 2.92Å | ||
| 822 | F | 89.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -37.7 | -170.7 | -169.8 | -106.1 | 0 | 0 | 0 | 113 | M826 F849 Y853 F863 A869 L872 A873 I876 Y916 | F822-M826 VanDerWaalsContact O-CB 3.32Å; F822-M826 WeakPolarHBondContact O-CB 3.48Å; F822-M826 PolarHBondContact O-N 3.47Å; F822-F849 AromaticContact CE2-CE1 3.84Å; F822-F849 HydrophobicContact CE2-CE1 3.84Å; F822-F849 HydrophobicContact CE2-CZ 4.33Å; F822-F849 AromaticContact CZ-CE1 3.85Å; F822-F849 HydrophobicContact CZ-CE1 3.85Å; F822-Y853 HydrophobicContact CB-CE1 4.46Å; F822-Y853 HydrophobicContact CB-CE2 4.47Å; F822-Y853 AromaticContact CD2-CD1 3.59Å; F822-Y853 HydrophobicContact CD2-CD1 3.59Å; F822-Y853 HydrophobicContact CD2-CD2 4.13Å; F822-Y853 AromaticContact CD2-CE1 3.56Å; F822-Y853 HydrophobicContact CD2-CE1 3.56Å; F822-Y853 HydrophobicContact CD2-CE2 4.1Å; F822-Y853 AromaticContact CD2-CG 3.89Å; F822-Y853 HydrophobicContact CD2-CG 3.89Å; F822-Y853 AromaticContact CD2-CZ 3.83Å; F822-Y853 AromaticContact CE2-CD1 3.93Å; F822-Y853 HydrophobicContact CE2-CD1 3.93Å; F822-Y853 HydrophobicContact CE2-CE1 4.33Å; F822-Y853 HydrophobicContact CE2-CG 4.12Å; F822-Y853 PolarHBondContact N-OH 3.45Å; F822-F863 HydrophobicContact CB-CZ 4.4Å; F822-F863 HydrophobicContact CD2-CE2 4.21Å; F822-F863 AromaticContact CD2-CZ 3.93Å; F822-F863 HydrophobicContact CD2-CZ 3.93Å; F822-F863 HydrophobicContact CE2-CZ 4.37Å; F822-F863 HydrophobicContact CG-CZ 4.08Å; F822-A869 HydrophobicContact CE2-CB 3.91Å; F822-A869 HydrophobicContact CZ-CB 4.3Å; F822-A869 VanDerWaalsContact CZ-O 3.22Å; F822-A869 WeakPolarHBondContact CZ-O 3.49Å; F822-L872 HydrophobicContact CD1-CD2 3.75Å; F822-L872 HydrophobicContact CD1-CG 4.28Å; F822-L872 HydrophobicContact CE1-CB 4.21Å; F822-L872 HydrophobicContact CE1-CD2 3.83Å; F822-L872 HydrophobicContact CE1-CG 3.95Å; F822-L872 HydrophobicContact CG-CD2 4.4Å; F822-A873 HydrophobicContact CE1-CB 4.33Å; F822-A873 HydrophobicContact CZ-CB 4.04Å; F822-I876 HydrophobicContact CD1-CD1 3.66Å; F822-I876 HydrophobicContact CE1-CD1 3.72Å; F822-Y916 VanDerWaalsContact CB-OH 3.29Å; F822-Y916 WeakPolarHBondContact CB-OH 3.39Å |
| 823 | V | 89.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.3 | -44.8 | -179 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | D821 A825 M826 R827 I876 I920 E923 I924 | D821-V823 VanDerWaalsContact C-N 3.28Å; D821-V823 PolarHBondContact O-N 3.32Å; D821-V823 PolarHBondContact OD2-N 3.3Å; V823-A825 PolarHBondContact O-N 3.28Å; V823-M826 PolarHBondContact O-N 2.88Å; V823-R827 HydrophobicContact CG1-CG 4.49Å; V823-R827 WeakPolarHBondContact O-CG 3.05Å; V823-R827 PolarHBondContact O-N 3.18Å; V823-I876 HydrophobicContact CG2-CD1 4.31Å; V823-I920 HydrophobicContact CG2-CB 4.34Å; V823-I920 HydrophobicContact CG2-CG1 3.88Å; V823-I920 HydrophobicContact CG2-CG2 3.96Å; V823-E923 WeakPolarHBondContact CG1-OE1 3.29Å; V823-I924 HydrophobicContact CG1-CD1 3.75Å; V823-I924 HydrophobicContact CG1-CG1 4.49Å |
| 824 | S | 87.1 | Confident | 87.2 | Confident | 48 Ų | 48 | 44.6 Ų | 44.6 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.7 | -43 | 175.3 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | D821 M826 R827 E828 | D821-S824 PolarHBondContact O-N 3.48Å; D821-S824 WeakPolarHBondContact OD1-CB 3.38Å; D821-S824 PolarHBondContact OD1-OG 3.14Å; D821-S824 PolarHBondContact OD2-N 2.86Å; D821-S824 PolarHBondContact OD2-OG 3.23Å; D821-S824 VanDerWaalsContact OD2-OG 3.09Å; S824-M826 VanDerWaalsContact C-N 3.3Å; S824-M826 PolarHBondContact O-N 3.45Å; S824-R827 WeakPolarHBondContact O-CB 3.02Å; S824-R827 PolarHBondContact O-N 3.14Å; S824-E828 PolarHBondContact O-N 3.47Å |
| 825 | A | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F817 K820 D821 V823 E828 F829 F849 Y853 | F817-A825 HydrophobicContact CB-CB 4.28Å; F817-A825 HydrophobicContact CD1-CB 3.62Å; F817-A825 HydrophobicContact CE1-CB 4.14Å; F817-A825 HydrophobicContact CG-CB 4.06Å; K820-A825 HydrophobicContact CB-CB 4.17Å; D821-A825 WeakPolarHBondContact O-CB 3.5Å; D821-A825 PolarHBondContact O-N 2.92Å; V823-A825 PolarHBondContact O-N 3.28Å; A825-E828 PolarHBondContact O-N 2.77Å; A825-F829 WeakPolarHBondContact O-CB 3.29Å; A825-F829 PolarHBondContact O-N 3.31Å; A825-F849 HydrophobicContact CB-CE2 4.41Å; A825-F849 HydrophobicContact CB-CZ 4.38Å; A825-Y853 HydrophobicContact CB-CD2 3.67Å; A825-Y853 HydrophobicContact CB-CE2 3.7Å |
| 826 | M | 89.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.6 | -35.3 | 176.9 | -169.9 | 173.4 | 64 | 0 | 0 | 112.4 | F822 V823 S824 F829 L830 F849 A873 I876 I929 | F822-M826 VanDerWaalsContact O-CB 3.32Å; F822-M826 WeakPolarHBondContact O-CB 3.48Å; F822-M826 PolarHBondContact O-N 3.47Å; V823-M826 PolarHBondContact O-N 2.88Å; S824-M826 VanDerWaalsContact C-N 3.3Å; S824-M826 PolarHBondContact O-N 3.45Å; M826-F829 PolarHBondContact O-N 3.37Å; M826-L830 HydrophobicContact CG-CD1 3.77Å; M826-L830 HydrophobicContact CG-CG 4.18Å; M826-L830 VanDerWaalsContact O-CB 3.29Å; M826-L830 WeakPolarHBondContact O-CB 3.29Å; M826-L830 VanDerWaalsContact O-CG 3.29Å; M826-L830 WeakPolarHBondContact O-CG 3.32Å; M826-L830 PolarHBondContact O-N 3.19Å; M826-L830 HydrophobicContact SD-CD1 4.38Å; M826-F849 HydrophobicContact CB-CE1 4.13Å; M826-F849 HydrophobicContact CB-CE2 4.43Å; M826-F849 HydrophobicContact CB-CZ 3.7Å; M826-F849 HydrophobicContact CG-CE1 4.24Å; M826-F849 HydrophobicContact CG-CZ 4.21Å; M826-A873 HydrophobicContact SD-CB 4.28Å; M826-I876 HydrophobicContact CE-CB 3.64Å; M826-I876 HydrophobicContact CE-CD1 3.92Å; M826-I876 HydrophobicContact CE-CG1 4.39Å; M826-I876 HydrophobicContact CE-CG2 3.25Å; M826-I929 HydrophobicContact CE-CD1 3.22Å |
| 827 | R | 89 | Confident | 85.9 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 23% | 0.234 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 173.8 | -74.5 | 177.4 | -164.9 | -76.7 | -0.4 | 111.3 | V823 S824 S831 E923 A927 I929 | V823-R827 HydrophobicContact CG1-CG 4.49Å; V823-R827 WeakPolarHBondContact O-CG 3.05Å; V823-R827 PolarHBondContact O-N 3.18Å; S824-R827 WeakPolarHBondContact O-CB 3.02Å; S824-R827 PolarHBondContact O-N 3.14Å; R827-S831 VanDerWaalsContact O-CB 3.3Å; R827-S831 WeakPolarHBondContact O-CB 3.38Å; R827-S831 PolarHBondContact O-N 2.79Å; R827-E923 IonicContact CZ-OE1 2.61Å; R827-E923 IonicContact NE-OE1 3.04Å; R827-E923 PolarHBondContact NE-OE1 3.22Å; R827-E923 IonicContact NH2-OE1 2.86Å; R827-E923 PolarHBondContact NH2-OE1 3.06Å; R827-A927 VanDerWaalsContact CZ-O 3.28Å; R827-A927 PolarHBondContact NH1-O 3.5Å; R827-A927 PolarHBondContact NH2-O 3.3Å; R827-I929 HydrophobicContact CG-CG1 4.18Å |
| 828 | E | 86 | Confident | 85.6 | Confident | 68 Ų | 68 | 45.7 Ų | 45.7 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 177.4 | -175.3 | 176.7 | -177.1 | 0 | 0 | 111.2 | F815 K820 S824 A825 L830 S831 | F815-E828 HydrophobicContact CD1-CG 4.32Å; F815-E828 HydrophobicContact CE1-CG 4.3Å; K820-E828 VanDerWaalsContact CD-OE2 3.28Å; K820-E828 WeakPolarHBondContact CD-OE2 3.38Å; K820-E828 VanDerWaalsContact CE-OE2 3.27Å; K820-E828 WeakPolarHBondContact CE-OE2 3.3Å; K820-E828 IonicContact NZ-OE1 2.76Å; K820-E828 PolarHBondContact NZ-OE1 3.22Å; K820-E828 IonicContact NZ-OE2 2.64Å; K820-E828 PolarHBondContact NZ-OE2 3.42Å; S824-E828 PolarHBondContact O-N 3.47Å; A825-E828 PolarHBondContact O-N 2.77Å; E828-L830 PolarHBondContact O-N 3.29Å; E828-S831 WeakPolarHBondContact O-CB 3.43Å; E828-S831 PolarHBondContact O-N 3.5Å; E828-S831 PolarHBondContact O-OG 3.49Å |
| 829 | F | 89.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 177.1 | -178.4 | -121.2 | 0 | 0 | 0 | 112.6 | Y811 V812 F815 F817 A825 M826 S831 G832 F833 M846 F849 | Y811-F829 HydrophobicContact CD1-CE2 4.46Å; Y811-F829 HydrophobicContact CE1-CE2 4.27Å; V812-F829 HydrophobicContact CG1-CE2 4.46Å; V812-F829 HydrophobicContact CG2-CE2 3.75Å; V812-F829 HydrophobicContact CG2-CZ 3.93Å; F815-F829 HydrophobicContact CD2-CD2 4.24Å; F815-F829 AromaticContact CE2-CD2 3.99Å; F815-F829 HydrophobicContact CE2-CD2 3.99Å; F815-F829 HydrophobicContact CE2-CE2 4.34Å; F815-F829 HydrophobicContact CZ-CD2 4.18Å; F817-F829 HydrophobicContact CE1-CB 4.49Å; F817-F829 HydrophobicContact CZ-CB 4.07Å; F817-F829 HydrophobicContact CZ-CD2 4.5Å; A825-F829 WeakPolarHBondContact O-CB 3.29Å; A825-F829 PolarHBondContact O-N 3.31Å; M826-F829 PolarHBondContact O-N 3.37Å; F829-S831 PolarHBondContact O-N 2.92Å; F829-G832 PolarHBondContact O-N 3.1Å; F829-F833 HydrophobicContact CD1-CE1 4.44Å; F829-F833 HydrophobicContact CD1-CZ 4.27Å; F829-F833 HydrophobicContact CD2-CE1 4.21Å; F829-F833 AromaticContact CE1-CE1 3.96Å; F829-F833 HydrophobicContact CE1-CE1 3.96Å; F829-F833 AromaticContact CE1-CZ 3.6Å; F829-F833 HydrophobicContact CE1-CZ 3.6Å; F829-F833 AromaticContact CE2-CE1 3.68Å; F829-F833 HydrophobicContact CE2-CE1 3.68Å; F829-F833 HydrophobicContact CE2-CZ 4.15Å; F829-F833 AromaticContact CZ-CE1 3.55Å; F829-F833 HydrophobicContact CZ-CE1 3.55Å; F829-F833 AromaticContact CZ-CZ 3.53Å; F829-F833 HydrophobicContact CZ-CZ 3.53Å; F829-M846 HydrophobicContact CD1-CE 4.22Å; F829-M846 HydrophobicContact CE1-CE 3.76Å; F829-F849 HydrophobicContact CB-CD2 3.85Å; F829-F849 HydrophobicContact CB-CE2 3.93Å; F829-F849 HydrophobicContact CD1-CB 3.91Å; F829-F849 AromaticContact CD1-CD2 3.58Å; F829-F849 HydrophobicContact CD1-CD2 3.58Å; F829-F849 HydrophobicContact CD1-CE2 4.35Å; F829-F849 AromaticContact CD1-CG 3.84Å; F829-F849 HydrophobicContact CD1-CG 3.84Å; F829-F849 HydrophobicContact CD2-CD2 4.4Å; F829-F849 HydrophobicContact CE1-CB 3.67Å; F829-F849 HydrophobicContact CE1-CD2 4.22Å; F829-F849 HydrophobicContact CE1-CG 4.14Å; F829-F849 AromaticContact CG-CD2 3.67Å; F829-F849 HydrophobicContact CG-CD2 3.67Å; F829-F849 HydrophobicContact CG-CE2 4.28Å; F829-F849 HydrophobicContact CG-CG 4.39Å; F829-F849 HydrophobicContact CZ-CB 4.21Å |
| 830 | L | 87.9 | Confident | 85.6 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.3 | -7.6 | 179.6 | -65 | 178.7 | 0 | 0 | 0 | 113.4 | M826 E828 G832 F833 L835 M846 I929 | M826-L830 HydrophobicContact CG-CD1 3.77Å; M826-L830 HydrophobicContact CG-CG 4.18Å; M826-L830 VanDerWaalsContact O-CB 3.29Å; M826-L830 WeakPolarHBondContact O-CB 3.29Å; M826-L830 VanDerWaalsContact O-CG 3.29Å; M826-L830 WeakPolarHBondContact O-CG 3.32Å; M826-L830 PolarHBondContact O-N 3.19Å; M826-L830 HydrophobicContact SD-CD1 4.38Å; E828-L830 PolarHBondContact O-N 3.29Å; L830-G832 VanDerWaalsContact C-N 3.3Å; L830-F833 HydrophobicContact CD2-CE2 4.36Å; L830-F833 HydrophobicContact CD2-CZ 4.31Å; L830-L835 HydrophobicContact CD2-CD1 4.35Å; L830-L835 HydrophobicContact CD2-CD2 3.72Å; L830-L835 HydrophobicContact CD2-CG 3.94Å; L830-M846 HydrophobicContact CD2-CE 3.93Å; L830-I929 HydrophobicContact CD1-CG2 4.05Å |
| 831 | S | 84.5 | Confident | 85.8 | Confident | 68 Ų | 68 | 42.9 Ų | 42.9 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.3 | -26.8 | 174.2 | 78 | 0 | 0 | 0 | 0 | 112.4 | K790 R827 E828 F829 | K790-S831 PolarHBondContact NZ-O 3.4Å; R827-S831 VanDerWaalsContact O-CB 3.3Å; R827-S831 WeakPolarHBondContact O-CB 3.38Å; R827-S831 PolarHBondContact O-N 2.79Å; E828-S831 WeakPolarHBondContact O-CB 3.43Å; E828-S831 PolarHBondContact O-N 3.5Å; E828-S831 PolarHBondContact O-OG 3.49Å; F829-S831 PolarHBondContact O-N 2.92Å |
| 832 | G | 81.6 | Confident | 85.8 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -77.2 | -31.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F829 L830 | F829-G832 PolarHBondContact O-N 3.1Å; L830-G832 VanDerWaalsContact C-N 3.3Å |
| 833 | F | 86.7 | Confident | 85.8 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -146.6 | 160.3 | -178.6 | 64.2 | -90.5 | 0 | 0 | 0 | 112.5 | K790 I793 L797 Y811 F829 L830 L835 L845 | K790-F833 WeakPolarHBondContact O-CA 3.45Å; I793-F833 HydrophobicContact CB-CB 4.01Å; I793-F833 HydrophobicContact CG2-CB 3.78Å; L797-F833 HydrophobicContact CD1-CD1 4.16Å; Y811-F833 AromaticContact CE1-CD1 3.99Å; Y811-F833 HydrophobicContact CE1-CD1 3.99Å; Y811-F833 HydrophobicContact CE1-CE1 4.07Å; F829-F833 HydrophobicContact CD1-CE1 4.44Å; F829-F833 HydrophobicContact CD1-CZ 4.27Å; F829-F833 HydrophobicContact CD2-CE1 4.21Å; F829-F833 AromaticContact CE1-CE1 3.96Å; F829-F833 HydrophobicContact CE1-CE1 3.96Å; F829-F833 AromaticContact CE1-CZ 3.6Å; F829-F833 HydrophobicContact CE1-CZ 3.6Å; F829-F833 AromaticContact CE2-CE1 3.68Å; F829-F833 HydrophobicContact CE2-CE1 3.68Å; F829-F833 HydrophobicContact CE2-CZ 4.15Å; F829-F833 AromaticContact CZ-CE1 3.55Å; F829-F833 HydrophobicContact CZ-CE1 3.55Å; F829-F833 AromaticContact CZ-CZ 3.53Å; F829-F833 HydrophobicContact CZ-CZ 3.53Å; L830-F833 HydrophobicContact CD2-CE2 4.36Å; L830-F833 HydrophobicContact CD2-CZ 4.31Å; F833-L835 HydrophobicContact CE2-CD2 4.24Å; F833-L845 HydrophobicContact CE2-CD1 3.76Å; F833-L845 HydrophobicContact CZ-CD1 4.16Å; F833-L845 HydrophobicContact CZ-CD2 4.3Å |
| 834 | R | 83 | Confident | 85.9 | Confident | 108 Ų | 108 | 45.8 Ų | 45.8 | 41% | 0.408 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 134.2 | 174.1 | -177.1 | -177.2 | 179 | -149.9 | -0.1 | 109.5 | K790 | K790-R834 PolarHBondContact O-N 3.42Š|
| 835 | L | 82.1 | Confident | 86.1 | Confident | 26 Ų | 26 | 43.5 Ų | 43.5 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -55.1 | 128.1 | 176.2 | -75.9 | 176.2 | 0 | 0 | 0 | 111.4 | L830 F833 I842 M846 I877 L931 | L830-L835 HydrophobicContact CD2-CD1 4.35Å; L830-L835 HydrophobicContact CD2-CD2 3.72Å; L830-L835 HydrophobicContact CD2-CG 3.94Å; F833-L835 HydrophobicContact CE2-CD2 4.24Å; L835-I842 HydrophobicContact CD2-CG1 4.46Å; L835-I842 HydrophobicContact CD2-CG2 4.19Å; L835-M846 HydrophobicContact CD2-CE 4.02Å; L835-I877 HydrophobicContact CD1-CD1 3.96Å; L835-I877 HydrophobicContact CD1-CG1 4.39Å; L835-I877 HydrophobicContact CD1-CG2 4.46Å; L835-L931 HydrophobicContact CD1-CD2 3.6Å; L835-L931 HydrophobicContact CG-CD2 4.31Å |
| 836 | P | 81 | Confident | 86.2 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 153.3 | 174.3 | -24.7 | 34.8 | 0 | 0 | 0 | 112.1 | G794 K841 I842 L845 | G794-P836 VanDerWaalsContact O-CG 3.24Å; G794-P836 WeakPolarHBondContact O-CG 3.1Å; P836-K841 HydrophobicContact CB-CB 3.75Å; P836-K841 HydrophobicContact CB-CD 4.11Å; P836-K841 HydrophobicContact CG-CB 3.86Å; P836-K841 HydrophobicContact CG-CD 4.46Å; P836-I842 VanDerWaalsContact O-CD1 3.27Å; P836-I842 WeakPolarHBondContact O-CD1 3.34Å; P836-I842 VanDerWaalsContact O-CG1 3.29Å; P836-I842 WeakPolarHBondContact O-CG1 3.46Å; P836-L845 HydrophobicContact CG-CD1 4.09Å |
| 837 | G | 75.1 | Confident | 86.4 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 78% | 0.784 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -74.3 | -23.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 838 | E | 83.5 | Confident | 86.5 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -80.8 | 118.4 | -179.2 | -64.8 | 124 | 157.5 | 0 | 0 | 110.7 | H795 Q840 K841 I842 | H795-E838 IonicContact CE1-OE2 2.71Å; H795-E838 PolarHBondContact CE1-OE2 2.66Å; H795-E838 IonicContact ND1-OE2 2.95Å; H795-E838 PolarHBondContact ND1-OE2 2.86Å; E838-Q840 PolarHBondContact O-N 3.4Å; E838-Q840 VanDerWaalsContact O-N 3.15Å; E838-K841 HydrophobicContact CB-CB 4.43Å; E838-K841 HydrophobicContact CB-CD 4.3Å; E838-K841 HydrophobicContact CB-CG 3.98Å; E838-K841 WeakPolarHBondContact O-CB 3.2Å; E838-K841 PolarHBondContact O-N 2.64Å; E838-K841 IonicContact OE1-NZ 2.99Å; E838-K841 WeakPolarHBondContact OE2-CD 3.41Å; E838-K841 WeakPolarHBondContact OE2-CE 3.39Å; E838-K841 IonicContact OE2-NZ 3.36Å; E838-K841 PolarHBondContact OE2-NZ 3.01Å; E838-I842 PolarHBondContact O-N 3.27Å |
| 839 | A | 82.4 | Confident | 86.9 | Confident | 77 Ų | 77 | 44.4 Ų | 44.4 | 64% | 0.636 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -52.6 | -40.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K841 I842 D843 | A839-K841 PolarHBondContact O-N 3.31Å; A839-I842 PolarHBondContact O-N 3.12Å; A839-D843 WeakPolarHBondContact O-CB 3.39Å; A839-D843 PolarHBondContact O-N 3.31Å |
| 840 | Q | 88 | Confident | 87 | Confident | 137 Ų | 137 | 44.4 Ų | 44.4 | 64% | 0.64 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.2 | -25.9 | 177.9 | -65.5 | 177 | 1.8 | 0 | 0 | 113.8 | E838 R844 | E838-Q840 PolarHBondContact O-N 3.4Å; E838-Q840 VanDerWaalsContact O-N 3.15Å; Q840-R844 WeakPolarHBondContact O-CG 3.36Å |
| 841 | K | 89.6 | Confident | 87.2 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -83.4 | -40.5 | 179 | -63.4 | -163.7 | -178.5 | 162.2 | 0 | 111.4 | G798 E799 P836 E838 A839 D843 L845 | G798-K841 VanDerWaalsContact O-CG 3.27Å; G798-K841 WeakPolarHBondContact O-CG 3.35Å; E799-K841 VanDerWaalsContact CD-NZ 3.32Å; E799-K841 WeakPolarHBondContact OE1-CE 3.38Å; E799-K841 IonicContact OE1-NZ 3.58Å; E799-K841 PolarHBondContact OE1-NZ 3.31Å; E799-K841 IonicContact OE2-NZ 2.66Å; P836-K841 HydrophobicContact CB-CB 3.75Å; P836-K841 HydrophobicContact CB-CD 4.11Å; P836-K841 HydrophobicContact CG-CB 3.86Å; P836-K841 HydrophobicContact CG-CD 4.46Å; E838-K841 HydrophobicContact CB-CB 4.43Å; E838-K841 HydrophobicContact CB-CD 4.3Å; E838-K841 HydrophobicContact CB-CG 3.98Å; E838-K841 WeakPolarHBondContact O-CB 3.2Å; E838-K841 PolarHBondContact O-N 2.64Å; E838-K841 IonicContact OE1-NZ 2.99Å; E838-K841 WeakPolarHBondContact OE2-CD 3.41Å; E838-K841 WeakPolarHBondContact OE2-CE 3.39Å; E838-K841 IonicContact OE2-NZ 3.36Å; E838-K841 PolarHBondContact OE2-NZ 3.01Å; A839-K841 PolarHBondContact O-N 3.31Å; K841-D843 PolarHBondContact O-N 2.92Å; K841-L845 WeakPolarHBondContact O-CD1 3.25Å; K841-L845 WeakPolarHBondContact O-CG 3.22Å; K841-L845 PolarHBondContact O-N 3.45Å |
| 842 | I | 86.8 | Confident | 87.5 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 171.9 | -58.7 | 176.2 | 0 | 0 | 0 | 109.4 | L835 P836 E838 A839 R844 L845 M846 F874 I877 | L835-I842 HydrophobicContact CD2-CG1 4.46Å; L835-I842 HydrophobicContact CD2-CG2 4.19Å; P836-I842 VanDerWaalsContact O-CD1 3.27Å; P836-I842 WeakPolarHBondContact O-CD1 3.34Å; P836-I842 VanDerWaalsContact O-CG1 3.29Å; P836-I842 WeakPolarHBondContact O-CG1 3.46Å; E838-I842 PolarHBondContact O-N 3.27Å; A839-I842 PolarHBondContact O-N 3.12Å; I842-R844 PolarHBondContact O-N 3.5Å; I842-L845 PolarHBondContact O-N 3.16Å; I842-M846 HydrophobicContact CG2-CG 3.92Å; I842-M846 WeakPolarHBondContact O-CG 3.32Å; I842-M846 PolarHBondContact O-N 3.38Å; I842-F874 HydrophobicContact CG2-CE1 3.95Å; I842-F874 HydrophobicContact CG2-CZ 4.04Å; I842-I877 HydrophobicContact CG2-CD1 4.42Å |
| 843 | D | 90.2 | Very high | 88 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 32% | 0.316 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -50 | -57.9 | 179.1 | -167.2 | 41.2 | 0 | 0 | 0 | 113 | A839 K841 L845 M846 E847 Y870 F874 | A839-D843 WeakPolarHBondContact O-CB 3.39Å; A839-D843 PolarHBondContact O-N 3.31Å; K841-D843 PolarHBondContact O-N 2.92Å; D843-L845 VanDerWaalsContact C-N 3.3Å; D843-L845 PolarHBondContact O-N 3.5Å; D843-M846 PolarHBondContact O-N 2.97Å; D843-E847 WeakPolarHBondContact O-CB 3.36Å; D843-E847 PolarHBondContact O-N 2.97Å; D843-Y870 PolarHBondContact OD1-OH 3.44Å; D843-F874 HydrophobicContact CB-CZ 4.42Å |
| 844 | R | 92.1 | Very high | 88.1 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 18% | 0.177 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.2 | -40.6 | 178.5 | -66.1 | 174.6 | -167.5 | 122.7 | 11.1 | 113.3 | G798 N800 Q840 I842 K848 | G798-R844 PolarHBondContact O-NH1 3.21Å; N800-R844 PolarHBondContact OD1-NE 3.06Å; Q840-R844 WeakPolarHBondContact O-CG 3.36Å; I842-R844 PolarHBondContact O-N 3.5Å; R844-K848 PolarHBondContact O-N 3Å |
| 845 | L | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.1 | -42.5 | -178.6 | -69.6 | 165.8 | 0 | 0 | 0 | 111.2 | L797 M808 F833 P836 K841 I842 D843 F849 | L797-L845 HydrophobicContact CB-CD2 3.89Å; M808-L845 HydrophobicContact CG-CD2 3.74Å; F833-L845 HydrophobicContact CE2-CD1 3.76Å; F833-L845 HydrophobicContact CZ-CD1 4.16Å; F833-L845 HydrophobicContact CZ-CD2 4.3Å; P836-L845 HydrophobicContact CG-CD1 4.09Å; K841-L845 WeakPolarHBondContact O-CD1 3.25Å; K841-L845 WeakPolarHBondContact O-CG 3.22Å; K841-L845 PolarHBondContact O-N 3.45Å; I842-L845 PolarHBondContact O-N 3.16Å; D843-L845 VanDerWaalsContact C-N 3.3Å; D843-L845 PolarHBondContact O-N 3.5Å; L845-F849 WeakPolarHBondContact O-CB 3.27Å; L845-F849 PolarHBondContact O-N 2.73Å |
| 846 | M | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.7 | -37.5 | 178.8 | -68.2 | -56.6 | 101.6 | 0 | 0 | 111.8 | F829 L830 L835 I842 D843 F849 A850 Y870 A873 F874 I877 | F829-M846 HydrophobicContact CD1-CE 4.22Å; F829-M846 HydrophobicContact CE1-CE 3.76Å; L830-M846 HydrophobicContact CD2-CE 3.93Å; L835-M846 HydrophobicContact CD2-CE 4.02Å; I842-M846 HydrophobicContact CG2-CG 3.92Å; I842-M846 WeakPolarHBondContact O-CG 3.32Å; I842-M846 PolarHBondContact O-N 3.38Å; D843-M846 PolarHBondContact O-N 2.97Å; M846-F849 PolarHBondContact O-N 3.08Å; M846-A850 VanDerWaalsContact O-CB 3.32Å; M846-A850 WeakPolarHBondContact O-CB 3.49Å; M846-A850 PolarHBondContact O-N 3.1Å; M846-Y870 HydrophobicContact CB-CD2 4.22Å; M846-Y870 HydrophobicContact CB-CE2 4.35Å; M846-A873 HydrophobicContact SD-CB 4.19Å; M846-F874 HydrophobicContact CB-CD2 4.41Å; M846-F874 HydrophobicContact CB-CE2 3.95Å; M846-F874 HydrophobicContact CB-CZ 4.48Å; M846-F874 HydrophobicContact CG-CE2 4.27Å; M846-F874 HydrophobicContact CG-CZ 4.42Å; M846-I877 HydrophobicContact CG-CD1 4.01Å; M846-I877 HydrophobicContact SD-CD1 3.6Å |
| 847 | E | 92.1 | Very high | 88.8 | Confident | 119 Ų | 119 | 46.1 Ų | 46.1 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61 | -49.7 | 175.5 | -172.2 | -178.8 | -172.3 | 0 | 0 | 111.1 | D843 A850 A851 Y870 | D843-E847 WeakPolarHBondContact O-CB 3.36Å; D843-E847 PolarHBondContact O-N 2.97Å; E847-A850 PolarHBondContact O-N 3.15Å; E847-A851 WeakPolarHBondContact O-CB 3.26Å; E847-A851 PolarHBondContact O-N 2.98Å; E847-Y870 HydrophobicContact CB-CD2 3.96Å; E847-Y870 HydrophobicContact CB-CE2 3.98Å |
| 848 | K | 92.7 | Very high | 88.9 | Confident | 30 Ų | 30 | 47 Ų | 47 | 13% | 0.13 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 177.8 | -179.1 | 64.1 | -176.7 | -177.6 | 0 | 112.5 | M808 Y809 V812 D813 R844 A851 R852 | M808-K848 HydrophobicContact CE-CB 4.25Å; M808-K848 HydrophobicContact SD-CB 3.71Å; M808-K848 HydrophobicContact SD-CG 3.64Å; Y809-K848 HydrophobicContact CD1-CD 4.06Å; Y809-K848 HydrophobicContact CD2-CD 4.5Å; Y809-K848 HydrophobicContact CE1-CD 4.1Å; Y809-K848 HydrophobicContact CG-CD 4.27Å; V812-K848 HydrophobicContact CB-CG 3.78Å; V812-K848 HydrophobicContact CG1-CG 3.89Å; V812-K848 HydrophobicContact CG2-CB 4.45Å; V812-K848 HydrophobicContact CG2-CG 3.76Å; D813-K848 VanDerWaalsContact CG-NZ 3.27Å; D813-K848 WeakPolarHBondContact OD1-CE 3.28Å; D813-K848 IonicContact OD1-NZ 2.98Å; D813-K848 PolarHBondContact OD1-NZ 2.71Å; D813-K848 IonicContact OD2-NZ 3.86Å; D813-K848 PolarHBondContact OD2-NZ 3.16Å; R844-K848 PolarHBondContact O-N 3Å; K848-A851 PolarHBondContact O-N 2.99Å; K848-R852 WeakPolarHBondContact O-CB 3.46Å; K848-R852 PolarHBondContact O-N 3.4Å |
| 849 | F | 93.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59 | -50.1 | 173.3 | 164.7 | -101 | 0 | 0 | 0 | 111.5 | F817 F822 A825 M826 F829 L845 M846 A851 R852 Y853 | F817-F849 HydrophobicContact CE1-CE2 4.39Å; F817-F849 AromaticContact CE2-CD2 3.95Å; F817-F849 HydrophobicContact CE2-CD2 3.95Å; F817-F849 AromaticContact CE2-CE2 3.97Å; F817-F849 HydrophobicContact CE2-CE2 3.97Å; F817-F849 HydrophobicContact CZ-CD2 4.01Å; F817-F849 AromaticContact CZ-CE2 3.87Å; F817-F849 HydrophobicContact CZ-CE2 3.87Å; F822-F849 AromaticContact CE2-CE1 3.84Å; F822-F849 HydrophobicContact CE2-CE1 3.84Å; F822-F849 HydrophobicContact CE2-CZ 4.33Å; F822-F849 AromaticContact CZ-CE1 3.85Å; F822-F849 HydrophobicContact CZ-CE1 3.85Å; A825-F849 HydrophobicContact CB-CE2 4.41Å; A825-F849 HydrophobicContact CB-CZ 4.38Å; M826-F849 HydrophobicContact CB-CE1 4.13Å; M826-F849 HydrophobicContact CB-CE2 4.43Å; M826-F849 HydrophobicContact CB-CZ 3.7Å; M826-F849 HydrophobicContact CG-CE1 4.24Å; M826-F849 HydrophobicContact CG-CZ 4.21Å; F829-F849 HydrophobicContact CB-CD2 3.85Å; F829-F849 HydrophobicContact CB-CE2 3.93Å; F829-F849 HydrophobicContact CD1-CB 3.91Å; F829-F849 AromaticContact CD1-CD2 3.58Å; F829-F849 HydrophobicContact CD1-CD2 3.58Å; F829-F849 HydrophobicContact CD1-CE2 4.35Å; F829-F849 AromaticContact CD1-CG 3.84Å; F829-F849 HydrophobicContact CD1-CG 3.84Å; F829-F849 HydrophobicContact CD2-CD2 4.4Å; F829-F849 HydrophobicContact CE1-CB 3.67Å; F829-F849 HydrophobicContact CE1-CD2 4.22Å; F829-F849 HydrophobicContact CE1-CG 4.14Å; F829-F849 AromaticContact CG-CD2 3.67Å; F829-F849 HydrophobicContact CG-CD2 3.67Å; F829-F849 HydrophobicContact CG-CE2 4.28Å; F829-F849 HydrophobicContact CG-CG 4.39Å; F829-F849 HydrophobicContact CZ-CB 4.21Å; L845-F849 WeakPolarHBondContact O-CB 3.27Å; L845-F849 PolarHBondContact O-N 2.73Å; M846-F849 PolarHBondContact O-N 3.08Å; F849-A851 VanDerWaalsContact C-N 3.34Å; F849-A851 PolarHBondContact O-N 3.44Å; F849-R852 PolarHBondContact O-N 3.42Å; F849-R852 VanDerWaalsContact O-N 3.15Å; F849-Y853 WeakPolarHBondContact O-CB 3.49Å; F849-Y853 PolarHBondContact O-N 2.82Å |
| 850 | A | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | M846 E847 R852 Y853 F854 A869 | M846-A850 VanDerWaalsContact O-CB 3.32Å; M846-A850 WeakPolarHBondContact O-CB 3.49Å; M846-A850 PolarHBondContact O-N 3.1Å; E847-A850 PolarHBondContact O-N 3.15Å; A850-R852 VanDerWaalsContact C-N 3.33Å; A850-R852 PolarHBondContact O-N 2.82Å; A850-Y853 PolarHBondContact O-N 3.46Å; A850-F854 WeakPolarHBondContact O-CB 3.18Å; A850-F854 PolarHBondContact O-N 3.37Å; A850-A869 HydrophobicContact CB-CB 3.99Å |
| 851 | A | 91.3 | Very high | 87.6 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E847 K848 F849 A855 | E847-A851 WeakPolarHBondContact O-CB 3.26Å; E847-A851 PolarHBondContact O-N 2.98Å; K848-A851 PolarHBondContact O-N 2.99Å; F849-A851 VanDerWaalsContact C-N 3.34Å; F849-A851 PolarHBondContact O-N 3.44Å; A851-A855 WeakPolarHBondContact O-CB 3.27Å; A851-A855 PolarHBondContact O-N 3.5Å |
| 852 | R | 92.1 | Very high | 87.2 | Confident | 62 Ų | 62 | 50.3 Ų | 50.3 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.9 | -45.3 | 177.8 | -177.1 | 64 | 179.9 | -167.7 | 4.9 | 112.2 | V812 D813 F815 F817 K848 F849 A850 F854 A855 C856 | V812-R852 HydrophobicContact CG1-CB 3.68Å; V812-R852 HydrophobicContact CG1-CG 3.96Å; D813-R852 PolarHBondContact O-NH1 3.25Å; D813-R852 PolarHBondContact O-NH2 3.26Å; D813-R852 IonicContact OD1-CZ 3.75Å; D813-R852 IonicContact OD1-NH1 2.72Å; D813-R852 PolarHBondContact OD1-NH1 3.06Å; F815-R852 PolarHBondContact O-NE 2.81Å; F815-R852 VanDerWaalsContact O-NE 3.1Å; F815-R852 PolarHBondContact O-NH2 3.17Å; F815-R852 VanDerWaalsContact O-NH2 3.08Å; F817-R852 HydrophobicContact CD2-CG 3.91Å; F817-R852 HydrophobicContact CE2-CB 4.39Å; F817-R852 HydrophobicContact CE2-CG 3.88Å; K848-R852 WeakPolarHBondContact O-CB 3.46Å; K848-R852 PolarHBondContact O-N 3.4Å; F849-R852 PolarHBondContact O-N 3.42Å; F849-R852 VanDerWaalsContact O-N 3.15Å; A850-R852 VanDerWaalsContact C-N 3.33Å; A850-R852 PolarHBondContact O-N 2.82Å; R852-F854 VanDerWaalsContact C-N 3.32Å; R852-F854 PolarHBondContact O-N 2.93Å; R852-A855 PolarHBondContact O-N 2.79Å; R852-C856 PolarHBondContact O-N 3.22Å; R852-C856 PolarHBondContact O-SG 3.16Å |
| 853 | Y | 91 | Very high | 87.1 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 177.4 | -179.1 | -90.2 | 0 | 0 | 0 | 111.4 | F817 K820 F822 A825 F849 A850 A855 C856 N857 F863 | F817-Y853 HydrophobicContact CB-CD2 4Å; F817-Y853 HydrophobicContact CG-CD2 4.4Å; K820-Y853 WeakPolarHBondContact O-CE2 3.26Å; K820-Y853 PolarHBondContact O-OH 3.14Å; F822-Y853 HydrophobicContact CB-CE1 4.46Å; F822-Y853 HydrophobicContact CB-CE2 4.47Å; F822-Y853 AromaticContact CD2-CD1 3.59Å; F822-Y853 HydrophobicContact CD2-CD1 3.59Å; F822-Y853 HydrophobicContact CD2-CD2 4.13Å; F822-Y853 AromaticContact CD2-CE1 3.56Å; F822-Y853 HydrophobicContact CD2-CE1 3.56Å; F822-Y853 HydrophobicContact CD2-CE2 4.1Å; F822-Y853 AromaticContact CD2-CG 3.89Å; F822-Y853 HydrophobicContact CD2-CG 3.89Å; F822-Y853 AromaticContact CD2-CZ 3.83Å; F822-Y853 AromaticContact CE2-CD1 3.93Å; F822-Y853 HydrophobicContact CE2-CD1 3.93Å; F822-Y853 HydrophobicContact CE2-CE1 4.33Å; F822-Y853 HydrophobicContact CE2-CG 4.12Å; F822-Y853 PolarHBondContact N-OH 3.45Å; A825-Y853 HydrophobicContact CB-CD2 3.67Å; A825-Y853 HydrophobicContact CB-CE2 3.7Å; F849-Y853 WeakPolarHBondContact O-CB 3.49Å; F849-Y853 PolarHBondContact O-N 2.82Å; A850-Y853 PolarHBondContact O-N 3.46Å; Y853-A855 PolarHBondContact O-N 3.33Å; Y853-C856 PolarHBondContact O-N 3.19Å; Y853-N857 WeakPolarHBondContact O-CB 3.47Å; Y853-N857 PolarHBondContact O-N 3Å; Y853-N857 VanDerWaalsContact O-N 3.14Å; Y853-N857 PolarHBondContact O-ND2 3.08Å; Y853-F863 HydrophobicContact CD1-CE2 4.43Å; Y853-F863 HydrophobicContact CE1-CD2 4.19Å; Y853-F863 AromaticContact CE1-CE2 3.72Å; Y853-F863 HydrophobicContact CE1-CE2 3.72Å |
| 854 | F | 88.8 | Confident | 86.8 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 33% | 0.325 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 177 | -173 | -95.6 | 0 | 0 | 0 | 111.7 | A850 R852 N857 F863 A866 | A850-F854 WeakPolarHBondContact O-CB 3.18Å; A850-F854 PolarHBondContact O-N 3.37Å; R852-F854 VanDerWaalsContact C-N 3.32Å; R852-F854 PolarHBondContact O-N 2.93Å; F854-N857 CarbonylContact O-C 3.58Å; F854-N857 PolarHBondContact O-N 3.26Å; F854-F863 HydrophobicContact CD2-CB 4.17Å; F854-F863 HydrophobicContact CE2-CB 4.24Å; F854-A866 HydrophobicContact CB-CB 4.1Å; F854-A866 HydrophobicContact CD1-CB 4.39Å; F854-A866 HydrophobicContact CG-CB 4.16Å |
| 855 | A | 87.4 | Confident | 86.4 | Confident | 68 Ų | 68 | 48.3 Ų | 48.3 | 56% | 0.562 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67 | -36.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A851 R852 Y853 N857 | A851-A855 WeakPolarHBondContact O-CB 3.27Å; A851-A855 PolarHBondContact O-N 3.5Å; R852-A855 PolarHBondContact O-N 2.79Å; Y853-A855 PolarHBondContact O-N 3.33Å; A855-N857 VanDerWaalsContact C-N 3.31Å |
| 856 | C | 88.1 | Confident | 86.2 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -74.1 | -20.2 | 176.6 | -73.1 | 0 | 0 | 0 | 0 | 113.4 | F817 T818 R852 Y853 P858 | F817-C856 HydrophobicContact CB-CB 3.99Å; T818-C856 PolarHBondContact OG1-O 3.39Å; R852-C856 PolarHBondContact O-N 3.22Å; R852-C856 PolarHBondContact O-SG 3.16Å; Y853-C856 PolarHBondContact O-N 3.19Å; C856-P858 WeakPolarHBondContact O-CD 3.29Å |
| 857 | N | 86.8 | Confident | 86 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 9% | 0.086 | 32% | 0.316 | C | S | . | . | trans | -125.5 | 58.4 | -175.4 | -63.1 | -75.6 | 0 | 0 | 0 | 112.3 | F817 D819 Y853 F854 A855 N859 N860 | F817-N857 PolarHBondContact O-ND2 3.17Å; F817-N857 PolarHBondContact O-OD1 3.38Å; D819-N857 PolarHBondContact N-OD1 3.47Å; D819-N857 VanDerWaalsContact N-OD1 3.09Å; Y853-N857 WeakPolarHBondContact O-CB 3.47Å; Y853-N857 PolarHBondContact O-N 3Å; Y853-N857 VanDerWaalsContact O-N 3.14Å; Y853-N857 PolarHBondContact O-ND2 3.08Å; F854-N857 CarbonylContact O-C 3.58Å; F854-N857 PolarHBondContact O-N 3.26Å; A855-N857 VanDerWaalsContact C-N 3.31Å; N857-N859 PolarHBondContact O-N 3.49Å; N857-N860 HydrophobicContact CB-CB 4.11Å; N857-N860 WeakPolarHBondContact O-CB 3.21Å; N857-N860 PolarHBondContact O-N 3.46Å; N857-N860 VanDerWaalsContact O-N 3.14Å | ||
| 858 | P | 75.7 | Confident | 85.8 | Confident | 95 Ų | 95 | 49 Ų | 49 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19 | -174.8 | 28.7 | -35.8 | 0 | 0 | 0 | 113.9 | C856 N860 | C856-P858 WeakPolarHBondContact O-CD 3.29Å; P858-N860 VanDerWaalsContact C-N 3.32Å |
| 859 | N | 75.5 | Confident | 85.7 | Confident | 150 Ų | 150 | 47.5 Ų | 47.5 | 80% | 0.802 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 0.3 | 178.8 | -59.7 | -25.2 | 0 | 0 | 0 | 113 | N857 D861 | N857-N859 PolarHBondContact O-N 3.49Å; N859-D861 PolarHBondContact O-N 2.79Å |
| 860 | N | 74.7 | Confident | 85.7 | Confident | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | trans | -86.4 | 92 | -178 | -169.3 | -11.4 | 0 | 0 | 0 | 110.2 | N857 P858 V862 | N857-N860 HydrophobicContact CB-CB 4.11Å; N857-N860 WeakPolarHBondContact O-CB 3.21Å; N857-N860 PolarHBondContact O-N 3.46Å; N857-N860 VanDerWaalsContact O-N 3.14Å; P858-N860 VanDerWaalsContact C-N 3.32Å; N860-V862 PolarHBondContact O-N 3.26Å; N860-V862 VanDerWaalsContact OD1-CB 3.23Å; N860-V862 WeakPolarHBondContact OD1-CB 3.44Å; N860-V862 WeakPolarHBondContact OD1-CG2 3.23Å; N860-V862 PolarHBondContact OD1-N 2.96Å | ||
| 861 | D | 76.2 | Confident | 85.6 | Confident | 160 Ų | 160 | 52.4 Ų | 52.4 | 86% | 0.856 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 1.4 | -179.7 | -65.8 | -25.4 | 0 | 0 | 0 | 114.5 | N859 | N859-D861 PolarHBondContact O-N 2.79Š|
| 862 | V | 81.6 | Confident | 85.6 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 22% | 0.218 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -39.3 | 180 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | N860 N907 L912 Y916 | N860-V862 PolarHBondContact O-N 3.26Å; N860-V862 VanDerWaalsContact OD1-CB 3.23Å; N860-V862 WeakPolarHBondContact OD1-CB 3.44Å; N860-V862 WeakPolarHBondContact OD1-CG2 3.23Å; N860-V862 PolarHBondContact OD1-N 2.96Å; V862-N907 PolarHBondContact O-ND2 2.98Å; V862-L912 HydrophobicContact CG1-CD2 3.78Å; V862-L912 VanDerWaalsContact O-CD2 3.25Å; V862-L912 WeakPolarHBondContact O-CD2 3.38Å; V862-Y916 HydrophobicContact CG1-CD1 3.94Å; V862-Y916 HydrophobicContact CG1-CE1 3.86Å |
| 863 | F | 85.9 | Confident | 85.6 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 4% | 0.044 | 28% | 0.278 | C | S | . | . | trans | -102.3 | 120.2 | -177.1 | -59.5 | -73.3 | 0 | 0 | 0 | 110.4 | F822 Y853 F854 T868 A869 L872 Y916 | F822-F863 HydrophobicContact CB-CZ 4.4Å; F822-F863 HydrophobicContact CD2-CE2 4.21Å; F822-F863 AromaticContact CD2-CZ 3.93Å; F822-F863 HydrophobicContact CD2-CZ 3.93Å; F822-F863 HydrophobicContact CE2-CZ 4.37Å; F822-F863 HydrophobicContact CG-CZ 4.08Å; Y853-F863 HydrophobicContact CD1-CE2 4.43Å; Y853-F863 HydrophobicContact CE1-CD2 4.19Å; Y853-F863 AromaticContact CE1-CE2 3.72Å; Y853-F863 HydrophobicContact CE1-CE2 3.72Å; F854-F863 HydrophobicContact CD2-CB 4.17Å; F854-F863 HydrophobicContact CE2-CB 4.24Å; F863-T868 HydrophobicContact CD1-CG2 3.87Å; F863-A869 HydrophobicContact CD1-CB 4.03Å; F863-A869 HydrophobicContact CE1-CB 4.18Å; F863-A869 HydrophobicContact CG-CB 4.32Å; F863-L872 HydrophobicContact CE1-CB 4.49Å; F863-L872 HydrophobicContact CE1-CD2 3.55Å; F863-L872 HydrophobicContact CZ-CD2 3.73Å; F863-Y916 HydrophobicContact CZ-CE1 4.21Å | ||
| 864 | A | 83.2 | Confident | 85.5 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -71.1 | -34.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N907 D908 | A864-N907 WeakPolarHBondContact CB-OD1 3.25Å; A864-N907 PolarHBondContact N-OD1 3.12Å; A864-D908 HydrophobicContact CB-CB 4.11Å |
| 865 | S | 84 | Confident | 85.6 | Confident | 26 Ų | 26 | 46.6 Ų | 46.6 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -145.8 | 161.8 | -179.9 | 68.2 | 0 | 0 | 0 | 0 | 111.2 | D867 T868 D908 | S865-D867 PolarHBondContact O-N 3.45Å; S865-T868 WeakPolarHBondContact O-CB 3.47Å; S865-T868 PolarHBondContact O-N 2.73Å; S865-T868 PolarHBondContact OG-N 2.83Å; S865-T868 PolarHBondContact OG-OG1 3.27Å; S865-D908 PolarHBondContact OG-OD1 2.7Å; S865-D908 VanDerWaalsContact OG-OD1 3.09Å |
| 866 | A | 85.9 | Confident | 85.8 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61 | -25.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F854 T868 A869 Y870 | F854-A866 HydrophobicContact CB-CB 4.1Å; F854-A866 HydrophobicContact CD1-CB 4.39Å; F854-A866 HydrophobicContact CG-CB 4.16Å; A866-T868 VanDerWaalsContact C-N 3.34Å; A866-A869 PolarHBondContact O-N 3.43Å; A866-Y870 WeakPolarHBondContact O-CB 3.46Å; A866-Y870 PolarHBondContact O-N 3.36Å |
| 867 | D | 87.4 | Confident | 85.7 | Confident | 99 Ų | 99 | 43.6 Ų | 43.6 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.5 | -165.8 | 37.7 | 0 | 0 | 0 | 111.4 | S865 A869 Y870 V871 | S865-D867 PolarHBondContact O-N 3.45Å; D867-A869 PolarHBondContact O-N 3.07Å; D867-Y870 WeakPolarHBondContact O-CB 3.09Å; D867-Y870 PolarHBondContact O-N 3.03Å; D867-V871 WeakPolarHBondContact O-CG2 3.41Å; D867-V871 PolarHBondContact O-N 2.7Å |
| 868 | T | 89.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 173.7 | -50.3 | 0 | 0 | 0 | 0 | 112.1 | F863 S865 A866 Y870 V871 L872 I906 N907 L912 | F863-T868 HydrophobicContact CD1-CG2 3.87Å; S865-T868 WeakPolarHBondContact O-CB 3.47Å; S865-T868 PolarHBondContact O-N 2.73Å; S865-T868 PolarHBondContact OG-N 2.83Å; S865-T868 PolarHBondContact OG-OG1 3.27Å; A866-T868 VanDerWaalsContact C-N 3.34Å; T868-Y870 VanDerWaalsContact C-N 3.31Å; T868-Y870 PolarHBondContact O-N 2.93Å; T868-V871 PolarHBondContact O-N 3.48Å; T868-L872 WeakPolarHBondContact O-CB 3.34Å; T868-L872 PolarHBondContact O-N 3.09Å; T868-I906 HydrophobicContact CG2-CG1 4.24Å; T868-I906 WeakPolarHBondContact CG2-O 3.45Å; T868-I906 PolarHBondContact OG1-O 3.01Å; T868-N907 HydrophobicContact CG2-CB 3.84Å; T868-N907 WeakPolarHBondContact CG2-OD1 3.4Å; T868-N907 WeakPolarHBondContact OG1-CA 3.4Å; T868-N907 PolarHBondContact OG1-OD1 3.46Å; T868-L912 HydrophobicContact CG2-CD1 4.34Å; T868-L912 HydrophobicContact CG2-CD2 4.18Å; T868-L912 HydrophobicContact CG2-CG 4.39Å |
| 869 | A | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F822 A850 F863 A866 D867 L872 A873 | F822-A869 HydrophobicContact CE2-CB 3.91Å; F822-A869 HydrophobicContact CZ-CB 4.3Å; F822-A869 VanDerWaalsContact CZ-O 3.22Å; F822-A869 WeakPolarHBondContact CZ-O 3.49Å; A850-A869 HydrophobicContact CB-CB 3.99Å; F863-A869 HydrophobicContact CD1-CB 4.03Å; F863-A869 HydrophobicContact CE1-CB 4.18Å; F863-A869 HydrophobicContact CG-CB 4.32Å; A866-A869 PolarHBondContact O-N 3.43Å; D867-A869 PolarHBondContact O-N 3.07Å; A869-L872 PolarHBondContact O-N 3.43Å; A869-A873 PolarHBondContact O-N 2.79Å |
| 870 | Y | 92.8 | Very high | 87 | Confident | 52 Ų | 52 | 36.5 Ų | 36.5 | 20% | 0.204 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | 175.9 | 162.1 | -97.8 | 0 | 0 | 0 | 112.5 | D843 M846 E847 A866 D867 T868 L872 A873 F874 | D843-Y870 PolarHBondContact OD1-OH 3.44Å; M846-Y870 HydrophobicContact CB-CD2 4.22Å; M846-Y870 HydrophobicContact CB-CE2 4.35Å; E847-Y870 HydrophobicContact CB-CD2 3.96Å; E847-Y870 HydrophobicContact CB-CE2 3.98Å; A866-Y870 WeakPolarHBondContact O-CB 3.46Å; A866-Y870 PolarHBondContact O-N 3.36Å; D867-Y870 WeakPolarHBondContact O-CB 3.09Å; D867-Y870 PolarHBondContact O-N 3.03Å; T868-Y870 VanDerWaalsContact C-N 3.31Å; T868-Y870 PolarHBondContact O-N 2.93Å; Y870-L872 VanDerWaalsContact C-N 3.31Å; Y870-L872 PolarHBondContact O-N 3.44Å; Y870-A873 WeakPolarHBondContact O-CB 3.35Å; Y870-A873 PolarHBondContact O-N 3.47Å; Y870-F874 HydrophobicContact CD2-CD2 4.3Å; Y870-F874 HydrophobicContact CD2-CE2 4.2Å; Y870-F874 HydrophobicContact CE1-CD2 4.42Å; Y870-F874 AromaticContact CE2-CD2 3.87Å; Y870-F874 HydrophobicContact CE2-CD2 3.87Å; Y870-F874 AromaticContact CE2-CE2 3.42Å; Y870-F874 HydrophobicContact CE2-CE2 3.42Å; Y870-F874 VanDerWaalsContact CE2-CE2 3.42Å; Y870-F874 AromaticContact CZ-CD2 3.89Å; Y870-F874 AromaticContact CZ-CE2 3.58Å; Y870-F874 PolarHBondContact O-N 3.43Å |
| 871 | V | 90.1 | Very high | 87.6 | Confident | 50 Ų | 50 | 37.3 Ų | 37.3 | 30% | 0.303 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 175.7 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | D867 T868 A873 F874 S875 I906 | D867-V871 WeakPolarHBondContact O-CG2 3.41Å; D867-V871 PolarHBondContact O-N 2.7Å; T868-V871 PolarHBondContact O-N 3.48Å; V871-A873 PolarHBondContact O-N 3.12Å; V871-F874 PolarHBondContact O-N 3.49Å; V871-S875 PolarHBondContact O-N 3.19Å; V871-I906 HydrophobicContact CG1-CB 4.06Å; V871-I906 HydrophobicContact CG1-CD1 4.34Å; V871-I906 HydrophobicContact CG1-CG2 3.86Å |
| 872 | L | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 177 | -173.8 | 69 | 0 | 0 | 0 | 111.6 | F822 F863 T868 A869 Y870 F874 S875 I876 I906 L912 Y916 L917 I920 | F822-L872 HydrophobicContact CD1-CD2 3.75Å; F822-L872 HydrophobicContact CD1-CG 4.28Å; F822-L872 HydrophobicContact CE1-CB 4.21Å; F822-L872 HydrophobicContact CE1-CD2 3.83Å; F822-L872 HydrophobicContact CE1-CG 3.95Å; F822-L872 HydrophobicContact CG-CD2 4.4Å; F863-L872 HydrophobicContact CE1-CB 4.49Å; F863-L872 HydrophobicContact CE1-CD2 3.55Å; F863-L872 HydrophobicContact CZ-CD2 3.73Å; T868-L872 WeakPolarHBondContact O-CB 3.34Å; T868-L872 PolarHBondContact O-N 3.09Å; A869-L872 PolarHBondContact O-N 3.43Å; Y870-L872 VanDerWaalsContact C-N 3.31Å; Y870-L872 PolarHBondContact O-N 3.44Å; L872-F874 VanDerWaalsContact C-N 3.34Å; L872-F874 PolarHBondContact O-N 3.36Å; L872-S875 WeakPolarHBondContact O-CB 3.47Å; L872-S875 PolarHBondContact O-N 2.92Å; L872-S875 VanDerWaalsContact O-N 3.1Å; L872-S875 PolarHBondContact O-OG 2.87Å; L872-I876 HydrophobicContact CG-CD1 4.17Å; L872-I876 WeakPolarHBondContact O-CG1 3.37Å; L872-I876 PolarHBondContact O-N 3.28Å; L872-I906 HydrophobicContact CD1-CD1 4.39Å; L872-L912 HydrophobicContact CD1-CD1 4.06Å; L872-L912 HydrophobicContact CD2-CD1 4.2Å; L872-Y916 HydrophobicContact CD2-CE1 4.2Å; L872-L917 HydrophobicContact CD1-CD2 3.7Å; L872-I920 HydrophobicContact CD2-CD1 4.04Å |
| 873 | A | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F822 M826 M846 A869 Y870 V871 S875 I876 I877 | F822-A873 HydrophobicContact CE1-CB 4.33Å; F822-A873 HydrophobicContact CZ-CB 4.04Å; M826-A873 HydrophobicContact SD-CB 4.28Å; M846-A873 HydrophobicContact SD-CB 4.19Å; A869-A873 PolarHBondContact O-N 2.79Å; Y870-A873 WeakPolarHBondContact O-CB 3.35Å; Y870-A873 PolarHBondContact O-N 3.47Å; V871-A873 PolarHBondContact O-N 3.12Å; A873-S875 VanDerWaalsContact C-N 3.33Å; A873-S875 PolarHBondContact O-N 2.87Å; A873-I876 PolarHBondContact O-N 3.45Å; A873-I877 WeakPolarHBondContact O-CG1 3.42Å; A873-I877 PolarHBondContact O-N 2.98Å |
| 874 | F | 89.7 | Confident | 88.3 | Confident | 60 Ų | 60 | 33 Ų | 33 | 26% | 0.263 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 174.7 | -91.5 | -73.4 | 0 | 0 | 0 | 112.9 | I842 D843 M846 Y870 V871 L872 I876 I877 M878 | I842-F874 HydrophobicContact CG2-CE1 3.95Å; I842-F874 HydrophobicContact CG2-CZ 4.04Å; D843-F874 HydrophobicContact CB-CZ 4.42Å; M846-F874 HydrophobicContact CB-CD2 4.41Å; M846-F874 HydrophobicContact CB-CE2 3.95Å; M846-F874 HydrophobicContact CB-CZ 4.48Å; M846-F874 HydrophobicContact CG-CE2 4.27Å; M846-F874 HydrophobicContact CG-CZ 4.42Å; Y870-F874 HydrophobicContact CD2-CD2 4.3Å; Y870-F874 HydrophobicContact CD2-CE2 4.2Å; Y870-F874 HydrophobicContact CE1-CD2 4.42Å; Y870-F874 AromaticContact CE2-CD2 3.87Å; Y870-F874 HydrophobicContact CE2-CD2 3.87Å; Y870-F874 AromaticContact CE2-CE2 3.42Å; Y870-F874 HydrophobicContact CE2-CE2 3.42Å; Y870-F874 VanDerWaalsContact CE2-CE2 3.42Å; Y870-F874 AromaticContact CZ-CD2 3.89Å; Y870-F874 AromaticContact CZ-CE2 3.58Å; Y870-F874 PolarHBondContact O-N 3.43Å; V871-F874 PolarHBondContact O-N 3.49Å; L872-F874 VanDerWaalsContact C-N 3.34Å; L872-F874 PolarHBondContact O-N 3.36Å; F874-I876 VanDerWaalsContact C-N 3.27Å; F874-I876 PolarHBondContact O-N 3.38Å; F874-I877 PolarHBondContact O-N 3.18Å; F874-M878 WeakPolarHBondContact O-CB 3.46Å; F874-M878 PolarHBondContact O-N 3.44Å |
| 875 | S | 89.5 | Confident | 88.1 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.2 | -39.9 | 175 | 90 | 0 | 0 | 0 | 0 | 111.8 | V871 L872 A873 M878 L879 Y899 N903 | V871-S875 PolarHBondContact O-N 3.19Å; L872-S875 WeakPolarHBondContact O-CB 3.47Å; L872-S875 PolarHBondContact O-N 2.92Å; L872-S875 VanDerWaalsContact O-N 3.1Å; L872-S875 PolarHBondContact O-OG 2.87Å; A873-S875 VanDerWaalsContact C-N 3.33Å; A873-S875 PolarHBondContact O-N 2.87Å; S875-M878 PolarHBondContact O-N 3.21Å; S875-L879 WeakPolarHBondContact O-CB 3.42Å; S875-L879 PolarHBondContact O-N 3.01Å; S875-Y899 PolarHBondContact OG-OH 3.49Å; S875-N903 WeakPolarHBondContact CB-OD1 3.39Å; S875-N903 PolarHBondContact OG-OD1 3.2Å |
| 876 | I | 91.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -74.1 | -40.6 | -178.8 | -61.6 | 168 | 0 | 0 | 0 | 110.5 | F822 V823 M826 L872 A873 F874 M878 L879 T880 Y899 I920 I924 I929 | F822-I876 HydrophobicContact CD1-CD1 3.66Å; F822-I876 HydrophobicContact CE1-CD1 3.72Å; V823-I876 HydrophobicContact CG2-CD1 4.31Å; M826-I876 HydrophobicContact CE-CB 3.64Å; M826-I876 HydrophobicContact CE-CD1 3.92Å; M826-I876 HydrophobicContact CE-CG1 4.39Å; M826-I876 HydrophobicContact CE-CG2 3.25Å; L872-I876 HydrophobicContact CG-CD1 4.17Å; L872-I876 WeakPolarHBondContact O-CG1 3.37Å; L872-I876 PolarHBondContact O-N 3.28Å; A873-I876 PolarHBondContact O-N 3.45Å; F874-I876 VanDerWaalsContact C-N 3.27Å; F874-I876 PolarHBondContact O-N 3.38Å; I876-M878 PolarHBondContact O-N 2.95Å; I876-L879 PolarHBondContact O-N 3.04Å; I876-L879 VanDerWaalsContact O-N 3.17Å; I876-T880 WeakPolarHBondContact O-CG2 3.36Å; I876-T880 PolarHBondContact O-N 3.4Å; I876-Y899 WeakPolarHBondContact CG1-OH 3.4Å; I876-I920 HydrophobicContact CD1-CD1 4.49Å; I876-I920 HydrophobicContact CD1-CG2 3.89Å; I876-I920 HydrophobicContact CG1-CG2 3.85Å; I876-I924 HydrophobicContact CG2-CD1 3.65Å; I876-I924 HydrophobicContact CG2-CG1 3.92Å; I876-I929 HydrophobicContact CG2-CD1 3.99Å |
| 877 | I | 87.3 | Confident | 87.2 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.1 | -41.6 | 173.3 | -70 | 171.8 | 0 | 0 | 0 | 110.4 | L835 I842 M846 A873 F874 T880 T881 | L835-I877 HydrophobicContact CD1-CD1 3.96Å; L835-I877 HydrophobicContact CD1-CG1 4.39Å; L835-I877 HydrophobicContact CD1-CG2 4.46Å; I842-I877 HydrophobicContact CG2-CD1 4.42Å; M846-I877 HydrophobicContact CG-CD1 4.01Å; M846-I877 HydrophobicContact SD-CD1 3.6Å; A873-I877 WeakPolarHBondContact O-CG1 3.42Å; A873-I877 PolarHBondContact O-N 2.98Å; F874-I877 PolarHBondContact O-N 3.18Å; I877-T880 VanDerWaalsContact O-CG2 3.32Å; I877-T880 WeakPolarHBondContact O-CG2 3.43Å; I877-T881 WeakPolarHBondContact O-CB 3.48Å; I877-T881 PolarHBondContact O-N 2.82Å; I877-T881 VanDerWaalsContact O-N 3.16Å; I877-T881 PolarHBondContact O-OG1 3.31Å |
| 878 | M | 87 | Confident | 86.8 | Confident | 108 Ų | 108 | 39.7 Ų | 39.7 | 53% | 0.532 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.1 | -45.3 | 176.2 | -157.5 | -176.9 | -38.4 | 0 | 0 | 111.5 | F874 S875 I876 T881 D882 M902 | F874-M878 WeakPolarHBondContact O-CB 3.46Å; F874-M878 PolarHBondContact O-N 3.44Å; S875-M878 PolarHBondContact O-N 3.21Å; I876-M878 PolarHBondContact O-N 2.95Å; M878-T881 PolarHBondContact O-N 2.91Å; M878-D882 VanDerWaalsContact O-CB 3.32Å; M878-D882 WeakPolarHBondContact O-CB 3.41Å; M878-D882 PolarHBondContact O-N 2.96Å; M878-M902 HydrophobicContact SD-SD 4.15Å |
| 879 | L | 91.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 178.3 | 178.2 | 68.6 | 0 | 0 | 0 | 112.6 | S875 I876 T881 D882 L883 M894 Y899 Y921 I924 | S875-L879 WeakPolarHBondContact O-CB 3.42Å; S875-L879 PolarHBondContact O-N 3.01Å; I876-L879 PolarHBondContact O-N 3.04Å; I876-L879 VanDerWaalsContact O-N 3.17Å; L879-T881 VanDerWaalsContact C-N 3.28Å; L879-T881 PolarHBondContact O-N 2.9Å; L879-D882 PolarHBondContact O-N 3.39Å; L879-L883 HydrophobicContact CD1-CD1 3.72Å; L879-L883 HydrophobicContact CD1-CD2 4.48Å; L879-L883 HydrophobicContact CD1-CG 3.86Å; L879-L883 HydrophobicContact CG-CD1 3.98Å; L879-L883 HydrophobicContact CG-CG 4.31Å; L879-L883 WeakPolarHBondContact O-CB 3.38Å; L879-L883 WeakPolarHBondContact O-CG 3.24Å; L879-L883 PolarHBondContact O-N 2.94Å; L879-M894 HydrophobicContact CB-CE 4.08Å; L879-M894 HydrophobicContact CD1-CE 3.65Å; L879-M894 HydrophobicContact CG-CE 4.49Å; L879-Y899 HydrophobicContact CB-CD2 4.15Å; L879-Y899 HydrophobicContact CB-CE2 3.94Å; L879-Y899 HydrophobicContact CD1-CD2 4.04Å; L879-Y899 HydrophobicContact CD1-CG 4.26Å; L879-Y899 HydrophobicContact CD2-CD1 4.27Å; L879-Y899 HydrophobicContact CD2-CD2 4.04Å; L879-Y899 HydrophobicContact CD2-CE1 4.12Å; L879-Y899 HydrophobicContact CD2-CE2 3.89Å; L879-Y899 HydrophobicContact CD2-CG 4.23Å; L879-Y899 HydrophobicContact CG-CD2 4.3Å; L879-Y899 HydrophobicContact CG-CE2 4.35Å; L879-Y921 HydrophobicContact CD1-CD2 3.55Å; L879-Y921 HydrophobicContact CD1-CE2 3.55Å; L879-Y921 HydrophobicContact CD2-CD2 3.95Å; L879-Y921 HydrophobicContact CG-CD2 4.4Å; L879-I924 HydrophobicContact CD2-CB 4.06Å; L879-I924 HydrophobicContact CD2-CG1 4.35Å; L879-I924 HydrophobicContact CD2-CG2 4.09Å; L879-I924 HydrophobicContact CG-CG2 4.11Å |
| 880 | T | 87.2 | Confident | 85.5 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.5 | -36.6 | -179.7 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | I876 I877 H884 I929 L931 | I876-T880 WeakPolarHBondContact O-CG2 3.36Å; I876-T880 PolarHBondContact O-N 3.4Å; I877-T880 VanDerWaalsContact O-CG2 3.32Å; I877-T880 WeakPolarHBondContact O-CG2 3.43Å; T880-H884 WeakPolarHBondContact O-CB 3.22Å; T880-H884 PolarHBondContact O-N 3.21Å; T880-I929 HydrophobicContact CG2-CB 4.36Å; T880-I929 PolarHBondContact OG1-N 3.25Å; T880-I929 VanDerWaalsContact OG1-N 3.07Å; T880-L931 HydrophobicContact CG2-CD1 3.39Å; T880-L931 HydrophobicContact CG2-CG 4.46Å |
| 881 | T | 86 | Confident | 84.9 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 39% | 0.387 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 174.9 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | I877 M878 L879 S885 | I877-T881 WeakPolarHBondContact O-CB 3.48Å; I877-T881 PolarHBondContact O-N 2.82Å; I877-T881 VanDerWaalsContact O-N 3.16Å; I877-T881 PolarHBondContact O-OG1 3.31Å; M878-T881 PolarHBondContact O-N 2.91Å; L879-T881 VanDerWaalsContact C-N 3.28Å; L879-T881 PolarHBondContact O-N 2.9Å; T881-S885 WeakPolarHBondContact O-CA 3.36Å; T881-S885 WeakPolarHBondContact O-CB 3.37Å; T881-S885 PolarHBondContact O-N 2.98Å |
| 882 | D | 87.7 | Confident | 84.5 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.3 | -46.2 | -180 | -170.8 | 77.1 | 0 | 0 | 0 | 113 | M878 L879 I888 R893 M894 | M878-D882 VanDerWaalsContact O-CB 3.32Å; M878-D882 WeakPolarHBondContact O-CB 3.41Å; M878-D882 PolarHBondContact O-N 2.96Å; L879-D882 PolarHBondContact O-N 3.39Å; D882-I888 HydrophobicContact CB-CD1 4.39Å; D882-R893 WeakPolarHBondContact OD2-CA 3.47Å; D882-M894 PolarHBondContact OD2-N 2.9Å |
| 883 | L | 87.4 | Confident | 84.3 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.4 | -34.4 | -177.7 | -66.3 | -173.7 | 0 | 0 | 0 | 113.9 | L879 R893 Y921 I924 A925 | L879-L883 HydrophobicContact CD1-CD1 3.72Å; L879-L883 HydrophobicContact CD1-CD2 4.48Å; L879-L883 HydrophobicContact CD1-CG 3.86Å; L879-L883 HydrophobicContact CG-CD1 3.98Å; L879-L883 HydrophobicContact CG-CG 4.31Å; L879-L883 WeakPolarHBondContact O-CB 3.38Å; L879-L883 WeakPolarHBondContact O-CG 3.24Å; L879-L883 PolarHBondContact O-N 2.94Å; L883-R893 HydrophobicContact CD2-CB 4.14Å; L883-R893 PolarHBondContact O-NE 2.95Å; L883-R893 PolarHBondContact O-NH1 3.39Å; L883-R893 PolarHBondContact O-NH2 3.25Å; L883-Y921 HydrophobicContact CD1-CE2 4.18Å; L883-Y921 HydrophobicContact CD2-CE2 4.44Å; L883-I924 HydrophobicContact CD1-CG2 4.36Å; L883-A925 HydrophobicContact CD1-CB 3.85Å |
| 884 | H | 83.1 | Confident | 84.1 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 32% | 0.324 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -113.9 | -8.1 | -170.2 | -63.5 | -76.8 | 0 | 0 | 0 | 115 | T880 S886 I924 A925 G928 | T880-H884 WeakPolarHBondContact O-CB 3.22Å; T880-H884 PolarHBondContact O-N 3.21Å; H884-S886 PolarHBondContact O-N 3.34Å; H884-I924 PolarHBondContact NE2-O 3.19Å; H884-A925 PolarHBondContact CE1-O 3.12Å; H884-G928 WeakPolarHBondContact CD2-CA 3.27Å; H884-G928 WeakPolarHBondContact NE2-CA 3.18Å; H884-G928 PolarHBondContact NE2-N 3Å |
| 885 | S | 79.6 | Confident | 84 | Confident | 28 Ų | 28 | 62.7 Ų | 62.7 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | trans | -68.5 | 129.3 | 171.4 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | T881 Q887 I888 | T881-S885 WeakPolarHBondContact O-CA 3.36Å; T881-S885 WeakPolarHBondContact O-CB 3.37Å; T881-S885 PolarHBondContact O-N 2.98Å; S885-Q887 PolarHBondContact O-N 3.24Å; S885-Q887 PolarHBondContact OG-N 3.44Å; S885-I888 PolarHBondContact O-N 3.37Å | ||
| 886 | S | 74.8 | Confident | 84.1 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 71% | 0.706 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.1 | 175 | 54.5 | 0 | 0 | 0 | 0 | 113 | H884 I888 | H884-S886 PolarHBondContact O-N 3.34Å; S886-I888 VanDerWaalsContact C-N 3.31Å |
| 887 | Q | 76.6 | Confident | 84 | Confident | 180 Ų | 180 | 71 Ų | 71 | 84% | 0.841 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -18.7 | 176.8 | -64.8 | -172.3 | -9.3 | 0 | 0 | 112.4 | S885 | S885-Q887 PolarHBondContact O-N 3.24Å; S885-Q887 PolarHBondContact OG-N 3.44Å |
| 888 | I | 79.1 | Confident | 84.1 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -98.7 | 117.3 | -177.6 | -61.6 | 169.1 | 0 | 0 | 0 | 108.7 | D882 S885 S886 N892 R893 | D882-I888 HydrophobicContact CB-CD1 4.39Å; S885-I888 PolarHBondContact O-N 3.37Å; S886-I888 VanDerWaalsContact C-N 3.31Å; I888-N892 HydrophobicContact CG2-CB 4.45Å; I888-R893 HydrophobicContact CG2-CG 3.91Å |
| 889 | K | 78.1 | Confident | 84.3 | Confident | 137 Ų | 137 | 67.2 Ų | 67.2 | 60% | 0.596 | 35% | 0.347 | S | S | * | . | trans | -65.4 | 141.4 | -178.6 | -64 | -177.2 | -176.4 | 175.5 | 0 | 109.7 | H891 N892 | K889-H891 PolarHBondContact O-N 3.4Å; K889-N892 PolarHBondContact O-N 2.84Å | ||
| 890 | P | 74.6 | Confident | 84.2 | Confident | 101 Ų | 101 | 68.4 Ų | 68.4 | 66% | 0.656 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -54 | -32.7 | -172 | -27.8 | 33.5 | 0 | 0 | 0 | 115.6 | N892 | P890-N892 VanDerWaalsContact C-N 3.34Š|
| 891 | H | 78.4 | Confident | 84.2 | Confident | 145 Ų | 145 | 75.4 Ų | 75.4 | 67% | 0.671 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -78.6 | -13.5 | -179.5 | 62.6 | -90.1 | 0 | 0 | 0 | 114.5 | K889 | K889-H891 PolarHBondContact O-N 3.4Š|
| 892 | N | 82 | Confident | 84.2 | Confident | 108 Ų | 108 | 76 Ų | 76 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -95.7 | -1.3 | 176.9 | -74.8 | -9.6 | 0 | 0 | 0 | 112.5 | I888 K889 P890 | I888-N892 HydrophobicContact CG2-CB 4.45Å; K889-N892 PolarHBondContact O-N 2.84Å; P890-N892 VanDerWaalsContact C-N 3.34Å |
| 893 | R | 87 | Confident | 84.3 | Confident | 88 Ų | 88 | 74.6 Ų | 74.6 | 33% | 0.332 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -71.7 | 141.6 | -178 | -67.1 | 178.8 | 178.5 | 178.8 | -5.5 | 110.5 | D882 L883 I888 S895 | D882-R893 WeakPolarHBondContact OD2-CA 3.47Å; L883-R893 HydrophobicContact CD2-CB 4.14Å; L883-R893 PolarHBondContact O-NE 2.95Å; L883-R893 PolarHBondContact O-NH1 3.39Å; L883-R893 PolarHBondContact O-NH2 3.25Å; I888-R893 HydrophobicContact CG2-CG 3.91Å; R893-S895 PolarHBondContact O-N 3.07Å |
| 894 | M | 87.6 | Confident | 84.3 | Confident | 28 Ų | 28 | 80.7 Ų | 80.7 | 14% | 0.138 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 120.8 | 176.7 | -177.2 | 160.2 | 47.8 | 0 | 0 | 109.6 | L879 D882 D898 Y899 M902 Y921 | L879-M894 HydrophobicContact CB-CE 4.08Å; L879-M894 HydrophobicContact CD1-CE 3.65Å; L879-M894 HydrophobicContact CG-CE 4.49Å; D882-M894 PolarHBondContact OD2-N 2.9Å; M894-D898 HydrophobicContact CG-CB 3.71Å; M894-Y899 HydrophobicContact CE-CD2 3.68Å; M894-Y899 HydrophobicContact CE-CG 4.47Å; M894-Y899 HydrophobicContact SD-CD2 4.14Å; M894-M902 HydrophobicContact CE-CE 4.21Å; M894-M902 HydrophobicContact CE-SD 4.24Å; M894-M902 HydrophobicContact SD-CE 4.31Å; M894-M902 HydrophobicContact SD-SD 3.84Å; M894-Y921 WeakPolarHBondContact O-CE2 3.36Å; M894-Y921 PolarHBondContact O-OH 3.35Å |
| 895 | S | 89.5 | Confident | 84.5 | Confident | 39 Ų | 39 | 79 Ų | 79 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 164.6 | 173.3 | 69.4 | 0 | 0 | 0 | 0 | 110.8 | R893 E897 D898 Y899 | R893-S895 PolarHBondContact O-N 3.07Å; S895-E897 VanDerWaalsContact C-N 3.27Å; S895-E897 PolarHBondContact O-N 3.34Å; S895-D898 WeakPolarHBondContact CB-OD2 3.34Å; S895-D898 PolarHBondContact N-OD2 3.24Å; S895-D898 WeakPolarHBondContact O-CB 3.38Å; S895-D898 PolarHBondContact O-N 3.35Å; S895-D898 VanDerWaalsContact O-N 3.15Å; S895-D898 WeakPolarHBondContact OG-CB 3.44Å; S895-D898 PolarHBondContact OG-N 2.99Å; S895-D898 PolarHBondContact OG-OD2 2.89Å; S895-Y899 PolarHBondContact O-N 3.05Å |
| 896 | K | 90.1 | Very high | 84.9 | Confident | 50 Ų | 50 | 79.2 Ų | 79.2 | 22% | 0.217 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58.2 | -43 | 177.6 | -170.8 | 171.1 | -168.2 | 173 | 0 | 111.4 | Y899 I900 A918 Y921 D922 | K896-Y899 PolarHBondContact O-N 2.91Å; K896-I900 HydrophobicContact CG-CD1 4.46Å; K896-I900 WeakPolarHBondContact O-CG1 3.37Å; K896-I900 PolarHBondContact O-N 2.97Å; K896-I900 VanDerWaalsContact O-N 3.09Å; K896-A918 VanDerWaalsContact CE-CA 3.45Å; K896-A918 WeakPolarHBondContact CE-O 3.13Å; K896-Y921 HydrophobicContact CB-CD1 3.72Å; K896-Y921 HydrophobicContact CB-CD2 4.37Å; K896-Y921 HydrophobicContact CB-CE1 3.73Å; K896-Y921 HydrophobicContact CB-CE2 4.36Å; K896-Y921 HydrophobicContact CB-CG 4.05Å; K896-Y921 HydrophobicContact CD-CD1 3.99Å; K896-Y921 HydrophobicContact CG-CD1 3.68Å; K896-Y921 HydrophobicContact CG-CD2 4.49Å; K896-Y921 HydrophobicContact CG-CE1 4.23Å; K896-Y921 HydrophobicContact CG-CG 3.84Å; K896-D922 WeakPolarHBondContact CE-OD1 3.4Å; K896-D922 IonicContact NZ-OD1 2.76Å; K896-D922 PolarHBondContact NZ-OD1 2.85Å; K896-D922 IonicContact NZ-OD2 2.68Å; K896-D922 PolarHBondContact NZ-OD2 2.93Å |
| 897 | E | 89.5 | Confident | 85.4 | Confident | 128 Ų | 128 | 75.3 Ų | 75.3 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.2 | -35.6 | 177.1 | -66 | 71.1 | -158.1 | 0 | 0 | 112 | S895 R901 | S895-E897 VanDerWaalsContact C-N 3.27Å; S895-E897 PolarHBondContact O-N 3.34Å; E897-R901 VanDerWaalsContact O-CB 3.3Å; E897-R901 WeakPolarHBondContact O-CB 3.36Å; E897-R901 PolarHBondContact O-N 3.49Å |
| 898 | D | 88.7 | Confident | 85.8 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 174.8 | -64.3 | -33.9 | 0 | 0 | 0 | 111.7 | M894 S895 R901 M902 | M894-D898 HydrophobicContact CG-CB 3.71Å; S895-D898 WeakPolarHBondContact CB-OD2 3.34Å; S895-D898 PolarHBondContact N-OD2 3.24Å; S895-D898 WeakPolarHBondContact O-CB 3.38Å; S895-D898 PolarHBondContact O-N 3.35Å; S895-D898 VanDerWaalsContact O-N 3.15Å; S895-D898 WeakPolarHBondContact OG-CB 3.44Å; S895-D898 PolarHBondContact OG-N 2.99Å; S895-D898 PolarHBondContact OG-OD2 2.89Å; D898-R901 PolarHBondContact O-N 2.94Å; D898-R901 IonicContact OD1-CZ 3.86Å; D898-R901 IonicContact OD1-NH1 3.45Å; D898-R901 PolarHBondContact OD1-NH1 3.14Å; D898-R901 IonicContact OD1-NH2 3.05Å; D898-R901 PolarHBondContact OD1-NH2 2.94Å; D898-M902 WeakPolarHBondContact O-CB 3.41Å; D898-M902 PolarHBondContact O-N 3.33Å |
| 899 | Y | 92.5 | Very high | 86 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 176.8 | 179.4 | -110.1 | 0 | 0 | 0 | 112.2 | S875 I876 L879 M894 S895 K896 R901 M902 N903 L917 I920 Y921 | S875-Y899 PolarHBondContact OG-OH 3.49Å; I876-Y899 WeakPolarHBondContact CG1-OH 3.4Å; L879-Y899 HydrophobicContact CB-CD2 4.15Å; L879-Y899 HydrophobicContact CB-CE2 3.94Å; L879-Y899 HydrophobicContact CD1-CD2 4.04Å; L879-Y899 HydrophobicContact CD1-CG 4.26Å; L879-Y899 HydrophobicContact CD2-CD1 4.27Å; L879-Y899 HydrophobicContact CD2-CD2 4.04Å; L879-Y899 HydrophobicContact CD2-CE1 4.12Å; L879-Y899 HydrophobicContact CD2-CE2 3.89Å; L879-Y899 HydrophobicContact CD2-CG 4.23Å; L879-Y899 HydrophobicContact CG-CD2 4.3Å; L879-Y899 HydrophobicContact CG-CE2 4.35Å; M894-Y899 HydrophobicContact CE-CD2 3.68Å; M894-Y899 HydrophobicContact CE-CG 4.47Å; M894-Y899 HydrophobicContact SD-CD2 4.14Å; S895-Y899 PolarHBondContact O-N 3.05Å; K896-Y899 PolarHBondContact O-N 2.91Å; Y899-R901 VanDerWaalsContact C-N 3.32Å; Y899-R901 PolarHBondContact O-N 3.5Å; Y899-M902 HydrophobicContact CD2-CE 3.82Å; Y899-M902 HydrophobicContact CE2-CE 3.89Å; Y899-M902 PolarHBondContact O-N 3.45Å; Y899-N903 WeakPolarHBondContact CD2-ND2 3.27Å; Y899-N903 WeakPolarHBondContact CE2-ND2 3.26Å; Y899-N903 PolarHBondContact O-N 3.37Å; Y899-N903 PolarHBondContact O-ND2 2.96Å; Y899-L917 HydrophobicContact CE1-CB 4.44Å; Y899-L917 HydrophobicContact CE1-CD2 4.2Å; Y899-I920 HydrophobicContact CE1-CG2 4.33Å; Y899-Y921 HydrophobicContact CD1-CD2 4.17Å; Y899-Y921 HydrophobicContact CG-CD2 4.1Å |
| 900 | I | 88.7 | Confident | 86.2 | Confident | 24 Ų | 24 | 74.1 Ų | 74.1 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.8 | -65.6 | 167.9 | 0 | 0 | 0 | 110.1 | K896 M902 N903 E914 L917 A918 | K896-I900 HydrophobicContact CG-CD1 4.46Å; K896-I900 WeakPolarHBondContact O-CG1 3.37Å; K896-I900 PolarHBondContact O-N 2.97Å; K896-I900 VanDerWaalsContact O-N 3.09Å; I900-M902 VanDerWaalsContact C-N 3.34Å; I900-M902 PolarHBondContact O-N 3.36Å; I900-N903 PolarHBondContact O-N 3.04Å; I900-E914 HydrophobicContact CG2-CB 4.2Å; I900-E914 HydrophobicContact CG2-CG 3.8Å; I900-L917 HydrophobicContact CG1-CB 3.96Å; I900-L917 HydrophobicContact CG2-CD1 4.4Å; I900-A918 HydrophobicContact CD1-CB 4.25Å |
| 901 | R | 87.5 | Confident | 86.8 | Confident | 151 Ų | 151 | 73 Ų | 73 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.9 | -36.2 | 177.8 | -171.2 | 173.3 | 68.5 | -116 | 0.6 | 112.8 | E897 D898 Y899 N903 R904 | E897-R901 VanDerWaalsContact O-CB 3.3Å; E897-R901 WeakPolarHBondContact O-CB 3.36Å; E897-R901 PolarHBondContact O-N 3.49Å; D898-R901 PolarHBondContact O-N 2.94Å; D898-R901 IonicContact OD1-CZ 3.86Å; D898-R901 IonicContact OD1-NH1 3.45Å; D898-R901 PolarHBondContact OD1-NH1 3.14Å; D898-R901 IonicContact OD1-NH2 3.05Å; D898-R901 PolarHBondContact OD1-NH2 2.94Å; Y899-R901 VanDerWaalsContact C-N 3.32Å; Y899-R901 PolarHBondContact O-N 3.5Å; R901-N903 VanDerWaalsContact C-N 3.28Å; R901-N903 PolarHBondContact O-N 2.9Å; R901-R904 PolarHBondContact O-N 2.93Å |
| 902 | M | 86.7 | Confident | 87.2 | Confident | 74 Ų | 74 | 66.3 Ų | 66.3 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -32.5 | 178.1 | -173.4 | -173.6 | 75.6 | 0 | 0 | 112.4 | M878 M894 D898 Y899 I900 | M878-M902 HydrophobicContact SD-SD 4.15Å; M894-M902 HydrophobicContact CE-CE 4.21Å; M894-M902 HydrophobicContact CE-SD 4.24Å; M894-M902 HydrophobicContact SD-CE 4.31Å; M894-M902 HydrophobicContact SD-SD 3.84Å; D898-M902 WeakPolarHBondContact O-CB 3.41Å; D898-M902 PolarHBondContact O-N 3.33Å; Y899-M902 HydrophobicContact CD2-CE 3.82Å; Y899-M902 HydrophobicContact CE2-CE 3.89Å; Y899-M902 PolarHBondContact O-N 3.45Å; I900-M902 VanDerWaalsContact C-N 3.34Å; I900-M902 PolarHBondContact O-N 3.36Å |
| 903 | N | 89.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 19.3 | -177 | -71 | -73.3 | 0 | 0 | 0 | 113.7 | S875 Y899 I900 R901 I906 L917 | S875-N903 WeakPolarHBondContact CB-OD1 3.39Å; S875-N903 PolarHBondContact OG-OD1 3.2Å; Y899-N903 WeakPolarHBondContact CD2-ND2 3.27Å; Y899-N903 WeakPolarHBondContact CE2-ND2 3.26Å; Y899-N903 PolarHBondContact O-N 3.37Å; Y899-N903 PolarHBondContact O-ND2 2.96Å; I900-N903 PolarHBondContact O-N 3.04Å; R901-N903 VanDerWaalsContact C-N 3.28Å; R901-N903 PolarHBondContact O-N 2.9Å; N903-I906 HydrophobicContact CB-CD1 3.87Å; N903-I906 WeakPolarHBondContact O-CG1 3.48Å; N903-L917 HydrophobicContact CB-CD1 3.81Å; N903-L917 HydrophobicContact CB-CD2 4.16Å |
| 904 | R | 87.3 | Confident | 87.5 | Confident | 141 Ų | 141 | 65 Ų | 65 | 53% | 0.532 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 138.5 | 175.3 | -76.7 | -172.6 | 173.5 | -139.6 | -6.6 | 112.1 | R901 I906 D911 E914 | R901-R904 PolarHBondContact O-N 2.93Å; R904-I906 VanDerWaalsContact C-N 3.31Å; R904-I906 PolarHBondContact O-N 2.85Å; R904-D911 WeakPolarHBondContact CA-OD1 3.47Å; R904-D911 WeakPolarHBondContact CB-OD1 3.3Å; R904-E914 IonicContact NH2-OE1 3.73Å; R904-E914 PolarHBondContact NH2-OE1 3.14Å |
| 905 | G | 87 | Confident | 87.5 | Confident | 34 Ų | 34 | 68 Ų | 68 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 7.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N907 S909 Q910 D911 | G905-N907 VanDerWaalsContact C-N 3.33Å; G905-N907 PolarHBondContact O-N 3.49Å; G905-S909 WeakPolarHBondContact O-CA 3.3Å; G905-S909 PolarHBondContact O-N 3.25Å; G905-Q910 CarbonylContact C-O 3.55Å; G905-Q910 VanDerWaalsContact C-O 3.27Å; G905-Q910 VanDerWaalsContact CA-O 3.28Å; G905-Q910 WeakPolarHBondContact CA-O 3.37Å; G905-D911 PolarHBondContact N-OD1 3.38Å |
| 906 | I | 87.4 | Confident | 87.5 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.8 | -175.2 | 70.1 | 174.4 | 0 | 0 | 0 | 114 | T868 V871 L872 N903 R904 D908 Q910 L912 | T868-I906 HydrophobicContact CG2-CG1 4.24Å; T868-I906 WeakPolarHBondContact CG2-O 3.45Å; T868-I906 PolarHBondContact OG1-O 3.01Å; V871-I906 HydrophobicContact CG1-CB 4.06Å; V871-I906 HydrophobicContact CG1-CD1 4.34Å; V871-I906 HydrophobicContact CG1-CG2 3.86Å; L872-I906 HydrophobicContact CD1-CD1 4.39Å; N903-I906 HydrophobicContact CB-CD1 3.87Å; N903-I906 WeakPolarHBondContact O-CG1 3.48Å; R904-I906 VanDerWaalsContact C-N 3.31Å; R904-I906 PolarHBondContact O-N 2.85Å; I906-D908 PolarHBondContact O-N 3.24Å; I906-Q910 PolarHBondContact N-O 3.12Å; I906-L912 HydrophobicContact CD1-CD1 3.79Å; I906-L912 HydrophobicContact CD1-CG 4.49Å; I906-L912 HydrophobicContact CG1-CD1 4.14Å; I906-L912 HydrophobicContact CG1-CG 4.32Å |
| 907 | N | 86.4 | Confident | 87.6 | Confident | 20 Ų | 20 | 66 Ų | 66 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -95.4 | 68.1 | -177.7 | -162.5 | 26.5 | 0 | 0 | 0 | 110.5 | V862 A864 T868 G905 S909 Q910 L912 | V862-N907 PolarHBondContact O-ND2 2.98Å; A864-N907 WeakPolarHBondContact CB-OD1 3.25Å; A864-N907 PolarHBondContact N-OD1 3.12Å; T868-N907 HydrophobicContact CG2-CB 3.84Å; T868-N907 WeakPolarHBondContact CG2-OD1 3.4Å; T868-N907 WeakPolarHBondContact OG1-CA 3.4Å; T868-N907 PolarHBondContact OG1-OD1 3.46Å; G905-N907 VanDerWaalsContact C-N 3.33Å; G905-N907 PolarHBondContact O-N 3.49Å; N907-S909 PolarHBondContact O-N 3.44Å; N907-Q910 HydrophobicContact CB-CB 4.34Å; N907-Q910 WeakPolarHBondContact CB-O 3.32Å; N907-Q910 PolarHBondContact N-O 2.96Å; N907-Q910 WeakPolarHBondContact O-CA 3.35Å; N907-Q910 VanDerWaalsContact O-CB 3.26Å; N907-Q910 WeakPolarHBondContact O-CB 3.39Å; N907-Q910 PolarHBondContact O-N 2.92Å; N907-L912 HydrophobicContact CB-CD2 4.07Å; N907-L912 HydrophobicContact CB-CG 4.21Å |
| 908 | D | 84.5 | Confident | 87.6 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 50.6 | -174.7 | -67.9 | -8.1 | 0 | 0 | 0 | 113.3 | A864 S865 I906 Q910 | A864-D908 HydrophobicContact CB-CB 4.11Å; S865-D908 PolarHBondContact OG-OD1 2.7Å; S865-D908 VanDerWaalsContact OG-OD1 3.09Å; I906-D908 PolarHBondContact O-N 3.24Å; D908-Q910 PolarHBondContact O-N 3Å |
| 909 | S | 82.2 | Confident | 87.6 | Confident | 108 Ų | 108 | 64.2 Ų | 64.2 | 76% | 0.755 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 4.8 | -173.2 | -44.7 | 0 | 0 | 0 | 0 | 115.6 | G905 N907 | G905-S909 WeakPolarHBondContact O-CA 3.3Å; G905-S909 PolarHBondContact O-N 3.25Å; N907-S909 PolarHBondContact O-N 3.44Å |
| 910 | Q | 83.9 | Confident | 87.5 | Confident | 134 Ų | 134 | 64.4 Ų | 64.4 | 63% | 0.626 | 34% | 0.335 | S | S | * | . | B | Isolated β-bridge | trans | -99.8 | 162.6 | 167.2 | -57.1 | -65.5 | -18.9 | 0 | 0 | 111.3 | G905 I906 N907 D908 | G905-Q910 CarbonylContact C-O 3.55Å; G905-Q910 VanDerWaalsContact C-O 3.27Å; G905-Q910 VanDerWaalsContact CA-O 3.28Å; G905-Q910 WeakPolarHBondContact CA-O 3.37Å; I906-Q910 PolarHBondContact N-O 3.12Å; N907-Q910 HydrophobicContact CB-CB 4.34Å; N907-Q910 WeakPolarHBondContact CB-O 3.32Å; N907-Q910 PolarHBondContact N-O 2.96Å; N907-Q910 WeakPolarHBondContact O-CA 3.35Å; N907-Q910 VanDerWaalsContact O-CB 3.26Å; N907-Q910 WeakPolarHBondContact O-CB 3.39Å; N907-Q910 PolarHBondContact O-N 2.92Å; D908-Q910 PolarHBondContact O-N 3Å |
| 911 | D | 85.9 | Confident | 87.7 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 42% | 0.422 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 138.7 | 173 | -68.6 | -28 | 0 | 0 | 0 | 110.1 | R904 G905 | R904-D911 WeakPolarHBondContact CA-OD1 3.47Å; R904-D911 WeakPolarHBondContact CB-OD1 3.3Å; G905-D911 PolarHBondContact N-OD1 3.38Å |
| 912 | L | 88.1 | Confident | 87.9 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 149.1 | 163.3 | -72.6 | 175.6 | 0 | 0 | 0 | 109.4 | V862 T868 L872 I906 N907 E914 L917 | V862-L912 HydrophobicContact CG1-CD2 3.78Å; V862-L912 VanDerWaalsContact O-CD2 3.25Å; V862-L912 WeakPolarHBondContact O-CD2 3.38Å; T868-L912 HydrophobicContact CG2-CD1 4.34Å; T868-L912 HydrophobicContact CG2-CD2 4.18Å; T868-L912 HydrophobicContact CG2-CG 4.39Å; L872-L912 HydrophobicContact CD1-CD1 4.06Å; L872-L912 HydrophobicContact CD2-CD1 4.2Å; I906-L912 HydrophobicContact CD1-CD1 3.79Å; I906-L912 HydrophobicContact CD1-CG 4.49Å; I906-L912 HydrophobicContact CG1-CD1 4.14Å; I906-L912 HydrophobicContact CG1-CG 4.32Å; N907-L912 HydrophobicContact CB-CD2 4.07Å; N907-L912 HydrophobicContact CB-CG 4.21Å; L912-E914 PolarHBondContact O-N 3.33Å; L912-L917 HydrophobicContact CB-CD1 4.15Å; L912-L917 HydrophobicContact CB-CD2 4.46Å; L912-L917 HydrophobicContact CB-CG 4.17Å; L912-L917 HydrophobicContact CD1-CD2 4.11Å |
| 913 | P | 87.7 | Confident | 88.1 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 125.8 | 178.5 | -25.5 | 33.8 | 0 | 0 | 0 | 111.9 | S915 Y916 L917 | P913-S915 PolarHBondContact O-N 2.9Å; P913-S915 VanDerWaalsContact O-N 3.14Å; P913-Y916 WeakPolarHBondContact O-CB 3.49Å; P913-Y916 PolarHBondContact O-N 3.47Å; P913-L917 PolarHBondContact O-N 3.34Å |
| 914 | E | 87.1 | Confident | 88.1 | Confident | 105 Ų | 105 | 59.6 Ų | 59.6 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.4 | -32.1 | -177 | -65.2 | -169.7 | 161.4 | 0 | 0 | 111.9 | I900 R904 L912 A918 | I900-E914 HydrophobicContact CG2-CB 4.2Å; I900-E914 HydrophobicContact CG2-CG 3.8Å; R904-E914 IonicContact NH2-OE1 3.73Å; R904-E914 PolarHBondContact NH2-OE1 3.14Å; L912-E914 PolarHBondContact O-N 3.33Å; E914-A918 WeakPolarHBondContact O-CB 3.23Å; E914-A918 PolarHBondContact O-N 2.73Å |
| 915 | S | 87.6 | Confident | 88 | Confident | 93 Ų | 93 | 54.7 Ų | 54.7 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65 | -36.1 | 175 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | P913 Q919 | P913-S915 PolarHBondContact O-N 2.9Å; P913-S915 VanDerWaalsContact O-N 3.14Å; S915-Q919 PolarHBondContact O-N 3.48Å |
| 916 | Y | 90.3 | Very high | 87.9 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.4 | -46.7 | 178.6 | -177.9 | -112.8 | 0 | 0 | 0 | 110.9 | F822 V862 F863 L872 P913 A918 Q919 I920 | F822-Y916 VanDerWaalsContact CB-OH 3.29Å; F822-Y916 WeakPolarHBondContact CB-OH 3.39Å; V862-Y916 HydrophobicContact CG1-CD1 3.94Å; V862-Y916 HydrophobicContact CG1-CE1 3.86Å; F863-Y916 HydrophobicContact CZ-CE1 4.21Å; L872-Y916 HydrophobicContact CD2-CE1 4.2Å; P913-Y916 WeakPolarHBondContact O-CB 3.49Å; P913-Y916 PolarHBondContact O-N 3.47Å; Y916-A918 VanDerWaalsContact C-N 3.29Å; Y916-A918 PolarHBondContact O-N 3.42Å; Y916-Q919 PolarHBondContact O-N 2.84Å; Y916-I920 HydrophobicContact CD1-CD1 4.02Å; Y916-I920 HydrophobicContact CE1-CD1 3.63Å; Y916-I920 WeakPolarHBondContact O-CG1 3.32Å; Y916-I920 PolarHBondContact O-N 3.46Å; Y916-I920 VanDerWaalsContact O-N 3.08Å |
| 917 | L | 90.8 | Very high | 87.5 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 174.2 | -68.5 | 175.6 | 0 | 0 | 0 | 112.2 | L872 Y899 I900 N903 L912 P913 I920 Y921 | L872-L917 HydrophobicContact CD1-CD2 3.7Å; Y899-L917 HydrophobicContact CE1-CB 4.44Å; Y899-L917 HydrophobicContact CE1-CD2 4.2Å; I900-L917 HydrophobicContact CG1-CB 3.96Å; I900-L917 HydrophobicContact CG2-CD1 4.4Å; N903-L917 HydrophobicContact CB-CD1 3.81Å; N903-L917 HydrophobicContact CB-CD2 4.16Å; L912-L917 HydrophobicContact CB-CD1 4.15Å; L912-L917 HydrophobicContact CB-CD2 4.46Å; L912-L917 HydrophobicContact CB-CG 4.17Å; L912-L917 HydrophobicContact CD1-CD2 4.11Å; P913-L917 PolarHBondContact O-N 3.34Å; L917-I920 PolarHBondContact O-N 3.36Å; L917-Y921 PolarHBondContact O-N 2.87Å |
| 918 | A | 89.9 | Confident | 87 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K896 I900 E914 Y916 Y921 D922 | K896-A918 VanDerWaalsContact CE-CA 3.45Å; K896-A918 WeakPolarHBondContact CE-O 3.13Å; I900-A918 HydrophobicContact CD1-CB 4.25Å; E914-A918 WeakPolarHBondContact O-CB 3.23Å; E914-A918 PolarHBondContact O-N 2.73Å; Y916-A918 VanDerWaalsContact C-N 3.29Å; Y916-A918 PolarHBondContact O-N 3.42Å; A918-Y921 PolarHBondContact O-N 3.45Å; A918-D922 PolarHBondContact O-N 3.43Å; A918-D922 VanDerWaalsContact O-N 3.07Å |
| 919 | Q | 89.3 | Confident | 86.7 | Confident | 127 Ų | 127 | 56.9 Ų | 56.9 | 59% | 0.593 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.3 | -44.4 | 177.5 | -175.6 | 178.4 | -0.2 | 0 | 0 | 111.4 | S915 Y916 Y921 D922 E923 | S915-Q919 PolarHBondContact O-N 3.48Å; Y916-Q919 PolarHBondContact O-N 2.84Å; Q919-Y921 VanDerWaalsContact C-N 3.29Å; Q919-Y921 PolarHBondContact O-N 3.14Å; Q919-D922 PolarHBondContact O-N 3.4Å; Q919-E923 WeakPolarHBondContact O-CB 3.47Å; Q919-E923 PolarHBondContact O-N 2.78Å |
| 920 | I | 90.5 | Very high | 85.9 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 174.6 | -67.4 | 174.2 | 0 | 0 | 0 | 110.6 | V823 L872 I876 Y899 Y916 L917 E923 I924 | V823-I920 HydrophobicContact CG2-CB 4.34Å; V823-I920 HydrophobicContact CG2-CG1 3.88Å; V823-I920 HydrophobicContact CG2-CG2 3.96Å; L872-I920 HydrophobicContact CD2-CD1 4.04Å; I876-I920 HydrophobicContact CD1-CD1 4.49Å; I876-I920 HydrophobicContact CD1-CG2 3.89Å; I876-I920 HydrophobicContact CG1-CG2 3.85Å; Y899-I920 HydrophobicContact CE1-CG2 4.33Å; Y916-I920 HydrophobicContact CD1-CD1 4.02Å; Y916-I920 HydrophobicContact CE1-CD1 3.63Å; Y916-I920 WeakPolarHBondContact O-CG1 3.32Å; Y916-I920 PolarHBondContact O-N 3.46Å; Y916-I920 VanDerWaalsContact O-N 3.08Å; L917-I920 PolarHBondContact O-N 3.36Å; I920-E923 PolarHBondContact O-N 3.22Å; I920-I924 HydrophobicContact CG2-CG1 4.33Å; I920-I924 WeakPolarHBondContact O-CB 3.49Å; I920-I924 VanDerWaalsContact O-CG1 3.26Å; I920-I924 WeakPolarHBondContact O-CG1 3.24Å; I920-I924 PolarHBondContact O-N 3.28Å |
| 921 | Y | 93 | Very high | 84.7 | Confident | 33 Ų | 33 | 56 Ų | 56 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 177.8 | -176.1 | -84.3 | 0 | 0 | 0 | 112.1 | L879 L883 M894 K896 Y899 L917 A918 Q919 E923 I924 A925 | L879-Y921 HydrophobicContact CD1-CD2 3.55Å; L879-Y921 HydrophobicContact CD1-CE2 3.55Å; L879-Y921 HydrophobicContact CD2-CD2 3.95Å; L879-Y921 HydrophobicContact CG-CD2 4.4Å; L883-Y921 HydrophobicContact CD1-CE2 4.18Å; L883-Y921 HydrophobicContact CD2-CE2 4.44Å; M894-Y921 WeakPolarHBondContact O-CE2 3.36Å; M894-Y921 PolarHBondContact O-OH 3.35Å; K896-Y921 HydrophobicContact CB-CD1 3.72Å; K896-Y921 HydrophobicContact CB-CD2 4.37Å; K896-Y921 HydrophobicContact CB-CE1 3.73Å; K896-Y921 HydrophobicContact CB-CE2 4.36Å; K896-Y921 HydrophobicContact CB-CG 4.05Å; K896-Y921 HydrophobicContact CD-CD1 3.99Å; K896-Y921 HydrophobicContact CG-CD1 3.68Å; K896-Y921 HydrophobicContact CG-CD2 4.49Å; K896-Y921 HydrophobicContact CG-CE1 4.23Å; K896-Y921 HydrophobicContact CG-CG 3.84Å; Y899-Y921 HydrophobicContact CD1-CD2 4.17Å; Y899-Y921 HydrophobicContact CG-CD2 4.1Å; L917-Y921 PolarHBondContact O-N 2.87Å; A918-Y921 PolarHBondContact O-N 3.45Å; Q919-Y921 VanDerWaalsContact C-N 3.29Å; Q919-Y921 PolarHBondContact O-N 3.14Å; Y921-E923 VanDerWaalsContact C-N 3.34Å; Y921-E923 PolarHBondContact O-N 3.33Å; Y921-I924 PolarHBondContact O-N 2.85Å; Y921-A925 HydrophobicContact CD1-CB 4.45Å; Y921-A925 HydrophobicContact CE1-CB 4.29Å; Y921-A925 WeakPolarHBondContact O-CB 3.4Å; Y921-A925 PolarHBondContact O-N 3.46Å |
| 922 | D | 91 | Very high | 82.8 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | -179.5 | -67.5 | -23.8 | 0 | 0 | 0 | 111.4 | K896 A918 Q919 A925 N926 | K896-D922 WeakPolarHBondContact CE-OD1 3.4Å; K896-D922 IonicContact NZ-OD1 2.76Å; K896-D922 PolarHBondContact NZ-OD1 2.85Å; K896-D922 IonicContact NZ-OD2 2.68Å; K896-D922 PolarHBondContact NZ-OD2 2.93Å; A918-D922 PolarHBondContact O-N 3.43Å; A918-D922 VanDerWaalsContact O-N 3.07Å; Q919-D922 PolarHBondContact O-N 3.4Å; D922-A925 PolarHBondContact O-N 2.87Å; D922-N926 WeakPolarHBondContact O-CB 3.42Å; D922-N926 PolarHBondContact O-N 3.19Å; D922-N926 PolarHBondContact O-ND2 3.29Å; D922-N926 VanDerWaalsContact O-ND2 3.16Å |
| 923 | E | 90.5 | Very high | 80.6 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 24% | 0.243 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 179.5 | -161.7 | -157.9 | 128.3 | 0 | 0 | 111.9 | V823 R827 Q919 I920 Y921 N926 A927 | V823-E923 WeakPolarHBondContact CG1-OE1 3.29Å; R827-E923 IonicContact CZ-OE1 2.61Å; R827-E923 IonicContact NE-OE1 3.04Å; R827-E923 PolarHBondContact NE-OE1 3.22Å; R827-E923 IonicContact NH2-OE1 2.86Å; R827-E923 PolarHBondContact NH2-OE1 3.06Å; Q919-E923 WeakPolarHBondContact O-CB 3.47Å; Q919-E923 PolarHBondContact O-N 2.78Å; I920-E923 PolarHBondContact O-N 3.22Å; Y921-E923 VanDerWaalsContact C-N 3.34Å; Y921-E923 PolarHBondContact O-N 3.33Å; E923-N926 PolarHBondContact O-N 2.85Å; E923-A927 PolarHBondContact O-N 2.93Å |
| 924 | I | 90 | Very high | 78.3 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.5 | -39.2 | 176.8 | -63.2 | -69.5 | 0 | 0 | 0 | 110.8 | V823 I876 L879 L883 H884 I920 Y921 N926 A927 G928 I929 | V823-I924 HydrophobicContact CG1-CD1 3.75Å; V823-I924 HydrophobicContact CG1-CG1 4.49Å; I876-I924 HydrophobicContact CG2-CD1 3.65Å; I876-I924 HydrophobicContact CG2-CG1 3.92Å; L879-I924 HydrophobicContact CD2-CB 4.06Å; L879-I924 HydrophobicContact CD2-CG1 4.35Å; L879-I924 HydrophobicContact CD2-CG2 4.09Å; L879-I924 HydrophobicContact CG-CG2 4.11Å; L883-I924 HydrophobicContact CD1-CG2 4.36Å; H884-I924 PolarHBondContact NE2-O 3.19Å; I920-I924 HydrophobicContact CG2-CG1 4.33Å; I920-I924 WeakPolarHBondContact O-CB 3.49Å; I920-I924 VanDerWaalsContact O-CG1 3.26Å; I920-I924 WeakPolarHBondContact O-CG1 3.24Å; I920-I924 PolarHBondContact O-N 3.28Å; Y921-I924 PolarHBondContact O-N 2.85Å; I924-N926 VanDerWaalsContact C-N 3.34Å; I924-N926 PolarHBondContact O-N 3.07Å; I924-A927 CarbonylContact O-C 3.56Å; I924-A927 PolarHBondContact O-N 2.99Å; I924-G928 WeakPolarHBondContact O-CA 3.25Å; I924-G928 PolarHBondContact O-N 2.88Å; I924-G928 VanDerWaalsContact O-N 3.15Å; I924-I929 HydrophobicContact CD1-CD1 3.64Å; I924-I929 HydrophobicContact CD1-CG1 3.69Å |
| 925 | A | 85.5 | Confident | 75.7 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L883 H884 Y921 D922 | L883-A925 HydrophobicContact CD1-CB 3.85Å; H884-A925 PolarHBondContact CE1-O 3.12Å; Y921-A925 HydrophobicContact CD1-CB 4.45Å; Y921-A925 HydrophobicContact CE1-CB 4.29Å; Y921-A925 WeakPolarHBondContact O-CB 3.4Å; Y921-A925 PolarHBondContact O-N 3.46Å; D922-A925 PolarHBondContact O-N 2.87Å |
| 926 | N | 84.4 | Confident | 73.2 | Confident | 142 Ų | 142 | 67 Ų | 67 | 76% | 0.759 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71 | -43.3 | 176.7 | -70.3 | -25 | 0 | 0 | 0 | 111.8 | D922 E923 I924 | D922-N926 WeakPolarHBondContact O-CB 3.42Å; D922-N926 PolarHBondContact O-N 3.19Å; D922-N926 PolarHBondContact O-ND2 3.29Å; D922-N926 VanDerWaalsContact O-ND2 3.16Å; E923-N926 PolarHBondContact O-N 2.85Å; I924-N926 VanDerWaalsContact C-N 3.34Å; I924-N926 PolarHBondContact O-N 3.07Å |
| 927 | A | 79.2 | Confident | 70.6 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 41% | 0.413 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -136.2 | 92.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | R827 E923 I924 | R827-A927 VanDerWaalsContact CZ-O 3.28Å; R827-A927 PolarHBondContact NH1-O 3.5Å; R827-A927 PolarHBondContact NH2-O 3.3Å; E923-A927 PolarHBondContact O-N 2.93Å; I924-A927 CarbonylContact O-C 3.56Å; I924-A927 PolarHBondContact O-N 2.99Å |
| 928 | G | 76.1 | Confident | 67.8 | Low | 20 Ų | 20 | 74.9 Ų | 74.9 | 21% | 0.206 | 41% | 0.411 | C | S | . | . | trans | -57.1 | 144.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | H884 I924 K930 | H884-G928 WeakPolarHBondContact CD2-CA 3.27Å; H884-G928 WeakPolarHBondContact NE2-CA 3.18Å; H884-G928 PolarHBondContact NE2-N 3Å; I924-G928 WeakPolarHBondContact O-CA 3.25Å; I924-G928 PolarHBondContact O-N 2.88Å; I924-G928 VanDerWaalsContact O-N 3.15Å; G928-K930 PolarHBondContact O-N 3.12Å | ||
| 929 | I | 78.1 | Confident | 64.7 | Low | 14 Ų | 14 | 80.2 Ų | 80.2 | 7% | 0.072 | 43% | 0.431 | C | S | . | . | trans | -69.6 | 114.2 | 169.9 | -60.2 | 172.5 | 0 | 0 | 0 | 106.1 | M826 R827 L830 I876 T880 I924 L931 | M826-I929 HydrophobicContact CE-CD1 3.22Å; R827-I929 HydrophobicContact CG-CG1 4.18Å; L830-I929 HydrophobicContact CD1-CG2 4.05Å; I876-I929 HydrophobicContact CG2-CD1 3.99Å; T880-I929 HydrophobicContact CG2-CB 4.36Å; T880-I929 PolarHBondContact OG1-N 3.25Å; T880-I929 VanDerWaalsContact OG1-N 3.07Å; I924-I929 HydrophobicContact CD1-CD1 3.64Å; I924-I929 HydrophobicContact CD1-CG1 3.69Å; I929-L931 VanDerWaalsContact C-N 3.35Å; I929-L931 PolarHBondContact O-N 3.25Å | ||
| 930 | K | 64.7 | Low | 61.9 | Low | 166 Ų | 166 | 82.5 Ų | 82.5 | 72% | 0.722 | 45% | 0.446 | S | S | * | . | trans | -61 | 91.7 | -176 | -81.8 | -175.1 | 177.4 | 179.7 | 0 | 110 | G928 D961 | G928-K930 PolarHBondContact O-N 3.12Å; K930-D961 IonicContact NZ-OD1 3.34Å; K930-D961 PolarHBondContact NZ-OD1 3.19Å | ||
| 931 | L | 59.3 | Low | 58.9 | Low | 58 Ų | 58 | 88.2 Ų | 88.2 | 30% | 0.304 | 48% | 0.481 | S | S | . | . | trans | -92.8 | -1.7 | 175.1 | -71.9 | 165.3 | 0 | 0 | 0 | 113.5 | L835 T880 I929 | L835-L931 HydrophobicContact CD1-CD2 3.6Å; L835-L931 HydrophobicContact CG-CD2 4.31Å; T880-L931 HydrophobicContact CG2-CD1 3.39Å; T880-L931 HydrophobicContact CG2-CG 4.46Å; I929-L931 VanDerWaalsContact C-N 3.35Å; I929-L931 PolarHBondContact O-N 3.25Å | ||
| 932 | K | 46.7 | Very low | 55.7 | Low | 154 Ų | 154 | 95.8 Ų | 95.8 | 67% | 0.67 | 52% | 0.515 | S | S | * | . | trans | -77.7 | 146.6 | -167.8 | -94.7 | -178.9 | 177.2 | 168.2 | 0 | 113.8 | D934 | K932-D934 PolarHBondContact O-N 2.93Š| ||
| 933 | A | 42.1 | Very low | 52.5 | Low | 51 Ų | 51 | 99.1 Ų | 99.1 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | trans | -71.7 | 111.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D935 | A933-D935 PolarHBondContact O-N 3.05Š| ||
| 934 | D | 39.4 | Very low | 49.3 | Very low | 146 Ų | 146 | 101.7 Ų | 101.7 | 78% | 0.781 | 56% | 0.555 | S | S | * | * | trans | -89.5 | 86.8 | 159.2 | -83.8 | -24.6 | 0 | 0 | 0 | 109.3 | K932 N936 | K932-D934 PolarHBondContact O-N 2.93Å; D934-N936 PolarHBondContact O-N 3.45Å | ||
| 935 | D | 31.8 | Very low | 46.1 | Very low | 79 Ų | 79 | 108.1 Ų | 108.1 | 42% | 0.422 | 60% | 0.595 | S | S | . | * | trans | -69.5 | 59.6 | 166.6 | -87 | -5.9 | 0 | 0 | 0 | 110.5 | A933 K939 | A933-D935 PolarHBondContact O-N 3.05Å; D935-K939 HydrophobicContact CB-CD 4.41Å; D935-K939 IonicContact OD2-NZ 2.85Å; D935-K939 PolarHBondContact OD2-NZ 3.47Å | ||
| 936 | N | 35 | Very low | 43 | Very low | 144 Ų | 144 | 111.8 Ų | 111.8 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | trans | -106.9 | -1.2 | 174.8 | -80.7 | -19.5 | 0 | 0 | 0 | 114.8 | D934 | D934-N936 PolarHBondContact O-N 3.45Š| ||
| 937 | V | 36.1 | Very low | 40.1 | Very low | 106 Ų | 106 | 111.5 Ų | 111.5 | 64% | 0.642 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -108.7 | -25.6 | 178.3 | -175 | 0 | 0 | 0 | 0 | 114.1 | ||
| 938 | T | 30.9 | Very low | 37.5 | Very low | 104 Ų | 104 | 117.6 Ų | 117.6 | 64% | 0.638 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -118.7 | 3 | -171.9 | 8 | 0 | 0 | 0 | 0 | 117.4 | ||
| 939 | K | 26.1 | Very low | 35 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 56% | 0.557 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -98.3 | 5.5 | 176 | -92.7 | 177.3 | -177.5 | 154 | 0 | 116 | D935 T941 | D935-K939 HydrophobicContact CB-CD 4.41Å; D935-K939 IonicContact OD2-NZ 2.85Å; D935-K939 PolarHBondContact OD2-NZ 3.47Å; K939-T941 VanDerWaalsContact C-N 3.25Å; K939-T941 PolarHBondContact O-N 3.44Å |
| 940 | L | 29.4 | Very low | 32.4 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 92% | 0.916 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -0.4 | 174.6 | -131.6 | 89.1 | 0 | 0 | 0 | 114.8 | ||
| 941 | T | 28.3 | Very low | 31.1 | Very low | 126 Ų | 126 | 124 Ų | 124 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -0.6 | -177.8 | 28 | 0 | 0 | 0 | 0 | 117.2 | K939 | K939-T941 VanDerWaalsContact C-N 3.25Å; K939-T941 PolarHBondContact O-N 3.44Å |
| 942 | K | 25.6 | Very low | 29.5 | Very low | 192 Ų | 192 | 129 Ų | 129 | 84% | 0.835 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -149.5 | 70.8 | 175.1 | -76.6 | -171 | 178.4 | 172 | 0 | 114.5 | ||
| 943 | I | 23.9 | Very low | 28.7 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | trans | -146.6 | 80.4 | 148.3 | -52.9 | -178.9 | 0 | 0 | 0 | 108.4 | ||||
| 944 | S | 22.2 | Very low | 28.1 | Very low | 106 Ų | 106 | 130 Ų | 130 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | -84.2 | 140 | 151 | -55.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 945 | T | 22.7 | Very low | 27.5 | Very low | 135 Ų | 135 | 129 Ų | 129 | 83% | 0.828 | 71% | 0.711 | S | S | * | * | trans | 72.9 | 89.6 | 170.9 | 63.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 946 | S | 21.9 | Very low | 27.3 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | -179.8 | 130.4 | 122.9 | 32.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 947 | T | 23.5 | Very low | 26.9 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 83% | 0.828 | 72% | 0.724 | S | S | * | * | trans | -62 | 150.7 | -172.4 | -33.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 948 | E | 23.4 | Very low | 26.5 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | 78.7 | 82.6 | 168 | -55.2 | -172.8 | 170.2 | 0 | 0 | 118.8 | ||||
| 949 | I | 24.3 | Very low | 26.2 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 64% | 0.641 | 73% | 0.727 | S | S | * | * | trans | -144 | 88.1 | 146.6 | -51.6 | 179.6 | 0 | 0 | 0 | 110.9 | K952 | I949-K952 HydrophobicContact CG2-CG 4.34Š| ||
| 950 | S | 22.9 | Very low | 26.3 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | -77.9 | 138 | 122 | -75.4 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 951 | P | 37.3 | Very low | 26.1 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 58% | 0.578 | 71% | 0.71 | S | S | * | * | cis | -128.4 | 116.3 | 8.8 | 34.5 | -14.4 | 0 | 0 | 0 | 112.3 | ||||
| 952 | K | 26.5 | Very low | 26.1 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -124.8 | 3.1 | 163.8 | -82.9 | -172.6 | 177.8 | 177.5 | 0 | 114.4 | I949 | I949-K952 HydrophobicContact CG2-CG 4.34Š|
| 953 | L | 29.3 | Very low | 26.3 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -85.5 | -12.8 | 167.6 | -137.1 | 81.8 | 0 | 0 | 0 | 112.9 | ||
| 954 | D | 28.8 | Very low | 26.6 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 44% | 0.439 | 70% | 0.699 | S | S | . | * | G | 310 helix | trans | -77.1 | -17.8 | 176.8 | -91.6 | -34.4 | 0 | 0 | 0 | 113.9 | R956 R957 | D954-R956 PolarHBondContact O-N 3.29Å; D954-R957 WeakPolarHBondContact O-CB 3.5Å; D954-R957 PolarHBondContact O-N 2.74Å; D954-R957 VanDerWaalsContact O-N 3.1Å; D954-R957 WeakPolarHBondContact OD1-CD 3.5Å; D954-R957 IonicContact OD1-CZ 3.83Å; D954-R957 IonicContact OD1-NE 3.58Å; D954-R957 IonicContact OD1-NH1 2.76Å; D954-R957 PolarHBondContact OD1-NH1 2.8Å |
| 955 | N | 28.3 | Very low | 27.2 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 66% | 0.663 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -73.5 | -12.6 | 176.8 | -80.2 | 3.2 | 0 | 0 | 0 | 113.5 | R957 | N955-R957 PolarHBondContact O-N 3.04Š|
| 956 | R | 26.7 | Very low | 27.6 | Very low | 222 Ų | 222 | 122.7 Ų | 122.7 | 84% | 0.838 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -79 | -1.8 | 170.1 | -129.4 | -177 | -168.7 | -160.4 | 3 | 113.2 | D954 | D954-R956 PolarHBondContact O-N 3.29Š|
| 957 | R | 27.3 | Very low | 28 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -94.2 | -11.5 | 176.8 | -70.5 | 180 | 169.7 | 166.7 | -12.3 | 114.6 | D954 N955 | D954-R957 WeakPolarHBondContact O-CB 3.5Å; D954-R957 PolarHBondContact O-N 2.74Å; D954-R957 VanDerWaalsContact O-N 3.1Å; D954-R957 WeakPolarHBondContact OD1-CD 3.5Å; D954-R957 IonicContact OD1-CZ 3.83Å; D954-R957 IonicContact OD1-NE 3.58Å; D954-R957 IonicContact OD1-NH1 2.76Å; D954-R957 PolarHBondContact OD1-NH1 2.8Å; N955-R957 PolarHBondContact O-N 3.04Å |
| 958 | Q | 26.2 | Very low | 28.4 | Very low | 178 Ų | 178 | 120.3 Ų | 120.3 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | -6.2 | -173.5 | -78.1 | -173.7 | 8.8 | 0 | 0 | 116.4 | ||
| 959 | T | 26.2 | Very low | 29.1 | Very low | 86 Ų | 86 | 113.5 Ų | 113.5 | 53% | 0.528 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -94.2 | 118.6 | 164 | 64.3 | 0 | 0 | 0 | 0 | 108.2 | D961 | T959-D961 VanDerWaalsContact CB-OD2 3.24Å; T959-D961 WeakPolarHBondContact CB-OD2 3.45Å; T959-D961 PolarHBondContact O-N 3.34Å; T959-D961 PolarHBondContact OG1-OD2 3.41Å |
| 960 | G | 27.1 | Very low | 29.6 | Very low | 72 Ų | 72 | 113.6 Ų | 113.6 | 74% | 0.742 | 62% | 0.621 | S | S | * | * | trans | -67.1 | 32.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G962 | G960-G962 PolarHBondContact O-N 3.1Š| ||
| 961 | D | 26 | Very low | 30 | Very low | 70 Ų | 70 | 112.8 Ų | 112.8 | 37% | 0.374 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.1 | 11.1 | 179.1 | -58.1 | -62.3 | 0 | 0 | 0 | 112.3 | K930 T959 E963 | K930-D961 IonicContact NZ-OD1 3.34Å; K930-D961 PolarHBondContact NZ-OD1 3.19Å; T959-D961 VanDerWaalsContact CB-OD2 3.24Å; T959-D961 WeakPolarHBondContact CB-OD2 3.45Å; T959-D961 PolarHBondContact O-N 3.34Å; T959-D961 PolarHBondContact OG1-OD2 3.41Å; D961-E963 VanDerWaalsContact C-N 3.28Å; D961-E963 PolarHBondContact O-N 3.19Å |
| 962 | G | 27.9 | Very low | 29.9 | Very low | 70 Ų | 70 | 111.7 Ų | 111.7 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -16.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G960 | G960-G962 PolarHBondContact O-N 3.1Š|
| 963 | E | 30.6 | Very low | 30.8 | Very low | 167 Ų | 167 | 110.1 Ų | 110.1 | 78% | 0.78 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -27 | 175 | -82.2 | 176.8 | 155.9 | 0 | 0 | 112.8 | D961 L965 G966 | D961-E963 VanDerWaalsContact C-N 3.28Å; D961-E963 PolarHBondContact O-N 3.19Å; E963-L965 VanDerWaalsContact C-N 3.33Å; E963-L965 PolarHBondContact O-N 2.81Å; E963-G966 PolarHBondContact O-N 3.19Å |
| 964 | I | 30.7 | Very low | 32.1 | Very low | 111 Ų | 111 | 105.9 Ų | 105.9 | 57% | 0.569 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.8 | -24.7 | -176.4 | -58.3 | 175.9 | 0 | 0 | 0 | 112.3 | G966 S968 | I964-G966 PolarHBondContact O-N 2.91Å; I964-S968 PolarHBondContact O-OG 3.06Å |
| 965 | L | 33.1 | Very low | 34.2 | Very low | 123 Ų | 123 | 108.1 Ų | 108.1 | 64% | 0.644 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73.8 | -13.7 | 176.3 | -141.1 | 88 | 0 | 0 | 0 | 113.1 | E963 | E963-L965 VanDerWaalsContact C-N 3.33Å; E963-L965 PolarHBondContact O-N 2.81Å |
| 966 | G | 31.7 | Very low | 36.8 | Very low | 34 Ų | 34 | 103.5 Ų | 103.5 | 35% | 0.351 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -84.2 | -38 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E963 I964 S968 V969 | E963-G966 PolarHBondContact O-N 3.19Å; I964-G966 PolarHBondContact O-N 2.91Å; G966-S968 VanDerWaalsContact C-N 3.35Å; G966-S968 PolarHBondContact O-N 3.33Å; G966-V969 PolarHBondContact O-N 3.42Å |
| 967 | D | 30.6 | Very low | 39.5 | Very low | 134 Ų | 134 | 93.9 Ų | 93.9 | 72% | 0.717 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74.6 | -23 | -172.8 | -83.8 | -11.4 | 0 | 0 | 0 | 113.8 | V969 | D967-V969 PolarHBondContact O-N 3.47Å |
| 968 | S | 32.6 | Very low | 42.3 | Very low | 66 Ų | 66 | 89 Ų | 89 | 46% | 0.462 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -15.3 | 177.1 | -1.7 | 0 | 0 | 0 | 0 | 112.7 | R568 I964 G966 | R568-S968 PolarHBondContact NH1-O 2.7Å; R568-S968 PolarHBondContact NH2-O 3.18Å; I964-S968 PolarHBondContact O-OG 3.06Å; G966-S968 VanDerWaalsContact C-N 3.35Å; G966-S968 PolarHBondContact O-N 3.33Å |
| 969 | V | 36.8 | Very low | 45.1 | Very low | 35 Ų | 35 | 80.6 Ų | 80.6 | 21% | 0.212 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.4 | -168.8 | 175.5 | 0 | 0 | 0 | 0 | 113.9 | Q569 G966 D967 | Q569-V969 HydrophobicContact CG-CG1 4.08Å; G966-V969 PolarHBondContact O-N 3.42Å; D967-V969 PolarHBondContact O-N 3.47Å |
| 970 | I | 34.8 | Very low | 47.9 | Very low | 128 Ų | 128 | 81.1 Ų | 81.1 | 66% | 0.656 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -98.2 | -20.9 | -165.7 | -59.5 | -180 | 0 | 0 | 0 | 114.8 | ||
| 971 | S | 31.4 | Very low | 50.6 | Low | 103 Ų | 103 | 81.7 Ų | 81.7 | 72% | 0.72 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -116.1 | 103.7 | -171.2 | -53.7 | 0 | 0 | 0 | 0 | 112.5 | R568 | R568-S971 PolarHBondContact NH1-O 3.24Š|
| 972 | G | 35.7 | Very low | 53.4 | Low | 67 Ų | 67 | 79.6 Ų | 79.6 | 69% | 0.691 | 49% | 0.489 | S | S | * | . | trans | 157.4 | 98.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S974 | G972-S974 PolarHBondContact O-N 2.76Š| ||
| 973 | S | 46.3 | Very low | 56.2 | Low | 131 Ų | 131 | 81.3 Ų | 81.3 | 92% | 0.916 | 48% | 0.478 | S | S | * | . | trans | -84.6 | 82.9 | 177.9 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 974 | S | 56.7 | Low | 59 | Low | 54 Ų | 54 | 73.4 Ų | 73.4 | 38% | 0.378 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -92.9 | 118.9 | 161 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | K567 D619 G972 | K567-S974 PolarHBondContact NZ-OG 3.47Å; D619-S974 PolarHBondContact OD2-OG 2.97Å; G972-S974 PolarHBondContact O-N 2.76Å |
| 975 | E | 71.6 | Confident | 61.9 | Low | 130 Ų | 130 | 68.1 Ų | 68.1 | 61% | 0.607 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 144.7 | -179.7 | -164.8 | 171.5 | -179.9 | 0 | 0 | 110.5 | K567 | K567-E975 PolarHBondContact NZ-O 3.45Š|
| 976 | F | 83.4 | Confident | 64.8 | Low | 26 Ų | 26 | 68.3 Ų | 68.3 | 11% | 0.114 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 125.6 | 179.3 | -174.6 | -83.6 | 0 | 0 | 0 | 109.8 | K563 P564 K567 D611 N615 | K563-F976 HydrophobicContact CD-CE1 4.48Å; K563-F976 HydrophobicContact CD-CE2 4.35Å; K563-F976 HydrophobicContact CD-CZ 3.7Å; K563-F976 HydrophobicContact CG-CE1 4.28Å; K563-F976 HydrophobicContact CG-CE2 3.74Å; K563-F976 HydrophobicContact CG-CZ 3.48Å; K563-F976 VanDerWaalsContact CG-CZ 3.48Å; P564-F976 HydrophobicContact CB-CB 4.39Å; P564-F976 HydrophobicContact CB-CD1 4.09Å; P564-F976 HydrophobicContact CB-CG 4.29Å; P564-F976 HydrophobicContact CG-CD1 4.38Å; P564-F976 WeakPolarHBondContact O-CB 3.26Å; K567-F976 HydrophobicContact CB-CD2 4.26Å; K567-F976 HydrophobicContact CD-CD2 4.4Å; K567-F976 HydrophobicContact CG-CD2 4.33Å; D611-F976 HydrophobicContact CB-CZ 3.95Å; N615-F976 HydrophobicContact CB-CD2 4.38Å; N615-F976 HydrophobicContact CB-CE2 4.21Å; N615-F976 WeakPolarHBondContact ND2-CZ 3.47Å; N615-F976 WeakPolarHBondContact OD1-CA 3.18Å |
| 977 | T | 83.4 | Confident | 67.6 | Low | 20 Ų | 20 | 67.3 Ų | 67.3 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 125.3 | 177.7 | -48.9 | 0 | 0 | 0 | 0 | 110.2 | N615 F736 | N615-T977 PolarHBondContact ND2-O 2.98Å; N615-T977 PolarHBondContact OD1-N 3.42Å; F736-T977 HydrophobicContact CE2-CG2 4.26Å; F736-T977 HydrophobicContact CZ-CG2 3.86Å |
| 978 | C | 85.4 | Confident | 70.6 | Confident | 65 Ų | 65 | 61 Ų | 61 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 127.6 | 172.1 | -161.6 | 0 | 0 | 0 | 0 | 109 | Q607 | Q607-C978 PolarHBondContact NE2-SG 3.23Å; Q607-C978 VanDerWaalsContact NE2-SG 3.36Å |
| 979 | A | 85.8 | Confident | 73.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 133.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q607 V610 D611 L614 W680 | Q607-A979 PolarHBondContact NE2-O 3Å; V610-A979 HydrophobicContact CB-CB 3.94Å; V610-A979 HydrophobicContact CG1-CB 3.38Å; D611-A979 WeakPolarHBondContact OD1-CB 3.49Å; D611-A979 PolarHBondContact OD1-N 2.86Å; L614-A979 HydrophobicContact CD1-CB 3.41Å; L614-A979 VanDerWaalsContact CD1-CB 3.41Å; L614-A979 HydrophobicContact CG-CB 4.4Å; W680-A979 HydrophobicContact CZ2-CB 4.37Å |
| 980 | T | 83.8 | Confident | 76.2 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 60% | 0.601 | 35% | 0.349 | S | S | * | . | trans | -124.5 | -27.7 | 176.5 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | D731 | D731-T980 WeakPolarHBondContact OD2-CA 3.43Å; D731-T980 WeakPolarHBondContact OD2-CB 3.34Å; D731-T980 PolarHBondContact OD2-N 2.83Å; D731-T980 PolarHBondContact OD2-OG1 3Å | ||
| 981 | H | 83.9 | Confident | 78.8 | Confident | 84 Ų | 84 | 56.5 Ų | 56.5 | 39% | 0.389 | 33% | 0.325 | S | S | . | . | trans | -88 | 142.8 | 179.7 | -66.9 | -59.2 | 0 | 0 | 0 | 113.6 | W680 D731 P733 E983 H984 | W680-H981 PolarHBondContact NE1-O 3.31Å; W680-H981 VanDerWaalsContact NE1-O 3.13Å; D731-H981 PolarHBondContact O-CD2 2.9Å; D731-H981 PolarHBondContact O-NE2 3.23Å; D731-H981 IonicContact OD2-CD2 2.71Å; D731-H981 PolarHBondContact OD2-CD2 3.18Å; D731-H981 VanDerWaalsContact OD2-CD2 3.28Å; D731-H981 IonicContact OD2-CG 3.04Å; D731-H981 PolarHBondContact OD2-N 2.9Å; P733-H981 HydrophobicContact CG-CB 3.62Å; H981-E983 VanDerWaalsContact C-N 3.33Å; H981-H984 PolarHBondContact O-CD2 3.46Å | ||
| 982 | C | 85.4 | Confident | 81.8 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -76.7 | -19.7 | 176.6 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | W680 L684 H984 V985 | W680-C982 VanDerWaalsContact O-CB 3.26Å; W680-C982 WeakPolarHBondContact O-CB 3.45Å; L684-C982 HydrophobicContact CD1-CB 4.45Å; L684-C982 VanDerWaalsContact CD1-SG 3.56Å; C982-H984 PolarHBondContact O-N 3.43Å; C982-V985 WeakPolarHBondContact O-CB 3.47Å; C982-V985 WeakPolarHBondContact O-CG2 3.25Å; C982-V985 PolarHBondContact O-N 2.79Å |
| 983 | E | 86.2 | Confident | 84.7 | Confident | 107 Ų | 107 | 49.7 Ų | 49.7 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -65.4 | -22.2 | -176.6 | -64.3 | -167.2 | 159.6 | 0 | 0 | 113.8 | P733 H981 V985 R986 P987 | P733-E983 HydrophobicContact CB-CB 3.77Å; P733-E983 HydrophobicContact CG-CB 3.89Å; H981-E983 VanDerWaalsContact C-N 3.33Å; E983-V985 PolarHBondContact O-N 3.42Å; E983-V985 VanDerWaalsContact O-N 3.11Å; E983-R986 WeakPolarHBondContact O-CB 3.43Å; E983-R986 PolarHBondContact O-N 2.85Å; E983-R986 VanDerWaalsContact O-N 3.11Å; E983-P987 VanDerWaalsContact O-CD 3.27Å; E983-P987 WeakPolarHBondContact O-CD 3.34Å |
| 984 | H | 89.7 | Confident | 86.9 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -57.8 | -24.2 | 174.1 | -62.4 | -50.5 | 0 | 0 | 0 | 113.7 | V610 L614 D731 F736 H981 C982 R986 P987 M988 | V610-H984 HydrophobicContact CG1-CB 3.83Å; L614-H984 HydrophobicContact CD2-CB 4.31Å; L614-H984 WeakPolarHBondContact CD2-ND1 3.46Å; D731-H984 IonicContact OD1-CD2 2.66Å; D731-H984 IonicContact OD1-CE1 3.01Å; D731-H984 PolarHBondContact OD1-CE1 3.3Å; D731-H984 IonicContact OD1-NE2 2.97Å; D731-H984 PolarHBondContact OD1-NE2 3.45Å; D731-H984 IonicContact OD2-NE2 3.36Å; D731-H984 PolarHBondContact OD2-NE2 3.16Å; F736-H984 AromaticContact CD2-CE1 3.83Å; H981-H984 PolarHBondContact O-CD2 3.46Å; C982-H984 PolarHBondContact O-N 3.43Å; H984-R986 VanDerWaalsContact C-N 3.27Å; H984-R986 PolarHBondContact O-N 3.44Å; H984-P987 VanDerWaalsContact O-CD 3.23Å; H984-P987 WeakPolarHBondContact O-CD 3.38Å; H984-P987 WeakPolarHBondContact O-CG 3.27Å; H984-M988 WeakPolarHBondContact O-CG 3.36Å; H984-M988 PolarHBondContact O-N 2.87Å |
| 985 | V | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.7 | -34.1 | 178.3 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | M677 W680 C982 E983 M988 F989 I1026 F1030 | M677-V985 HydrophobicContact CB-CG1 3.74Å; M677-V985 HydrophobicContact CG-CG1 4.08Å; W680-V985 HydrophobicContact CB-CG2 3.98Å; W680-V985 HydrophobicContact CG-CG2 4.18Å; C982-V985 WeakPolarHBondContact O-CB 3.47Å; C982-V985 WeakPolarHBondContact O-CG2 3.25Å; C982-V985 PolarHBondContact O-N 2.79Å; E983-V985 PolarHBondContact O-N 3.42Å; E983-V985 VanDerWaalsContact O-N 3.11Å; V985-M988 PolarHBondContact O-N 3.36Å; V985-F989 WeakPolarHBondContact O-CB 3.46Å; V985-F989 PolarHBondContact O-N 3.25Å; V985-I1026 HydrophobicContact CG1-CG2 4.02Å; V985-F1030 HydrophobicContact CB-CE2 3.7Å; V985-F1030 HydrophobicContact CB-CZ 3.77Å; V985-F1030 HydrophobicContact CG1-CD2 4.43Å; V985-F1030 HydrophobicContact CG1-CE2 3.56Å; V985-F1030 HydrophobicContact CG1-CZ 4.16Å |
| 986 | R | 92.8 | Very high | 89.7 | Confident | 127 Ų | 127 | 39.2 Ų | 39.2 | 48% | 0.479 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.1 | -57.1 | -179 | 177.9 | -177.5 | 169.4 | -160.6 | -7.3 | 112.2 | E983 H984 M988 F989 K990 F1030 M1032 | E983-R986 WeakPolarHBondContact O-CB 3.43Å; E983-R986 PolarHBondContact O-N 2.85Å; E983-R986 VanDerWaalsContact O-N 3.11Å; H984-R986 VanDerWaalsContact C-N 3.27Å; H984-R986 PolarHBondContact O-N 3.44Å; R986-M988 VanDerWaalsContact C-N 3.34Å; R986-M988 PolarHBondContact O-N 3.01Å; R986-F989 PolarHBondContact O-N 2.89Å; R986-K990 WeakPolarHBondContact O-CB 3.28Å; R986-K990 PolarHBondContact O-N 2.88Å; R986-F1030 HydrophobicContact CB-CB 4.24Å; R986-F1030 HydrophobicContact CB-CD1 3.71Å; R986-F1030 HydrophobicContact CB-CD2 4.32Å; R986-F1030 HydrophobicContact CB-CE1 4.09Å; R986-F1030 HydrophobicContact CB-CG 3.82Å; R986-F1030 HydrophobicContact CG-CB 4.13Å; R986-F1030 HydrophobicContact CG-CD1 4.35Å; R986-F1030 HydrophobicContact CG-CG 4.27Å; R986-M1032 HydrophobicContact CG-SD 4.15Å |
| 987 | P | 90.4 | Very high | 90.3 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.2 | -31.5 | 178.9 | 29.1 | -37.5 | 0 | 0 | 0 | 112.4 | Y613 E737 E983 H984 K990 L991 | Y613-P987 HydrophobicContact CE1-CG 4.22Å; Y613-P987 WeakPolarHBondContact OH-CB 3.14Å; E737-P987 HydrophobicContact CG-CB 4.12Å; E983-P987 VanDerWaalsContact O-CD 3.27Å; E983-P987 WeakPolarHBondContact O-CD 3.34Å; H984-P987 VanDerWaalsContact O-CD 3.23Å; H984-P987 WeakPolarHBondContact O-CD 3.38Å; H984-P987 WeakPolarHBondContact O-CG 3.27Å; P987-K990 WeakPolarHBondContact O-CB 3.46Å; P987-K990 PolarHBondContact O-N 2.86Å; P987-L991 PolarHBondContact O-N 3.47Å |
| 988 | M | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -47.2 | 172 | -69.8 | 173.3 | 72.7 | 0 | 0 | 112.5 | L609 V610 Y613 F626 M677 H984 V985 R986 L991 A992 | L609-M988 HydrophobicContact CG-CE 4.2Å; V610-M988 HydrophobicContact CB-SD 4.28Å; V610-M988 HydrophobicContact CG1-SD 4.06Å; V610-M988 HydrophobicContact CG2-CE 4.28Å; V610-M988 HydrophobicContact CG2-SD 4Å; Y613-M988 HydrophobicContact CD1-CG 3.27Å; Y613-M988 HydrophobicContact CD1-SD 3.82Å; Y613-M988 HydrophobicContact CD2-CG 3.63Å; Y613-M988 HydrophobicContact CE1-CG 3.63Å; Y613-M988 HydrophobicContact CE2-CG 3.97Å; Y613-M988 HydrophobicContact CG-CE 4.36Å; Y613-M988 HydrophobicContact CG-CG 3.27Å; Y613-M988 HydrophobicContact CG-SD 3.89Å; F626-M988 HydrophobicContact CD2-CE 3.96Å; F626-M988 HydrophobicContact CE1-CB 4.08Å; F626-M988 HydrophobicContact CE1-CE 4.32Å; F626-M988 HydrophobicContact CE1-CG 4.47Å; F626-M988 HydrophobicContact CE2-CE 3.63Å; F626-M988 HydrophobicContact CG-CE 4.47Å; F626-M988 HydrophobicContact CZ-CB 4.31Å; F626-M988 HydrophobicContact CZ-CE 3.86Å; M677-M988 HydrophobicContact CE-CB 3.58Å; M677-M988 HydrophobicContact CE-CE 3.86Å; H984-M988 WeakPolarHBondContact O-CG 3.36Å; H984-M988 PolarHBondContact O-N 2.87Å; V985-M988 PolarHBondContact O-N 3.36Å; R986-M988 VanDerWaalsContact C-N 3.34Å; R986-M988 PolarHBondContact O-N 3.01Å; M988-L991 WeakPolarHBondContact O-CB 3.34Å; M988-L991 PolarHBondContact O-N 3.26Å; M988-A992 PolarHBondContact O-N 3.36Å |
| 989 | F | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.3 | -36.4 | 177.6 | -177.2 | -111.9 | 0 | 0 | 0 | 111.3 | L674 M677 V985 R986 L991 A992 W993 A1023 I1026 A1027 M1032 E1035 Y1039 | L674-F989 HydrophobicContact CD2-CD2 3.8Å; L674-F989 HydrophobicContact CD2-CE2 3.63Å; M677-F989 HydrophobicContact SD-CB 4.34Å; M677-F989 HydrophobicContact SD-CD2 4.46Å; V985-F989 WeakPolarHBondContact O-CB 3.46Å; V985-F989 PolarHBondContact O-N 3.25Å; R986-F989 PolarHBondContact O-N 2.89Å; F989-L991 PolarHBondContact O-N 3.5Å; F989-A992 PolarHBondContact O-N 3.44Å; F989-A992 VanDerWaalsContact O-N 3.12Å; F989-W993 HydrophobicContact CD1-CB 4.32Å; F989-W993 HydrophobicContact CD2-CB 4.24Å; F989-W993 HydrophobicContact CE1-CB 3.93Å; F989-W993 HydrophobicContact CE2-CB 3.83Å; F989-W993 HydrophobicContact CG-CB 4.47Å; F989-W993 HydrophobicContact CZ-CB 3.67Å; F989-W993 WeakPolarHBondContact O-CB 3.49Å; F989-W993 PolarHBondContact O-N 3.17Å; F989-A1023 HydrophobicContact CE2-CB 3.92Å; F989-A1023 HydrophobicContact CZ-CB 3.86Å; F989-A1023 WeakPolarHBondContact CZ-O 3.41Å; F989-I1026 HydrophobicContact CB-CG2 3.87Å; F989-I1026 HydrophobicContact CD1-CB 4.47Å; F989-I1026 HydrophobicContact CD1-CG2 3.76Å; F989-I1026 HydrophobicContact CD2-CD1 4.3Å; F989-I1026 HydrophobicContact CD2-CG2 4.22Å; F989-I1026 HydrophobicContact CE1-CG2 4.35Å; F989-I1026 HydrophobicContact CG-CB 4.47Å; F989-I1026 HydrophobicContact CG-CG2 3.68Å; F989-A1027 HydrophobicContact CE1-CB 4.11Å; F989-M1032 HydrophobicContact CD1-CE 4.03Å; F989-M1032 HydrophobicContact CD1-SD 3.79Å; F989-M1032 HydrophobicContact CE1-SD 4.46Å; F989-E1035 HydrophobicContact CE1-CB 4.09Å; F989-E1035 HydrophobicContact CE1-CG 4.27Å; F989-Y1039 AromaticContact CZ-CE2 3.84Å; F989-Y1039 HydrophobicContact CZ-CE2 3.84Å |
| 990 | K | 92 | Very high | 91.4 | Very high | 105 Ų | 105 | 36 Ų | 36 | 46% | 0.457 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.9 | -35.4 | 174 | -170 | 67.6 | 178.2 | -172.2 | 0 | 112.4 | R986 P987 M1032 E1035 | R986-K990 WeakPolarHBondContact O-CB 3.28Å; R986-K990 PolarHBondContact O-N 2.88Å; P987-K990 WeakPolarHBondContact O-CB 3.46Å; P987-K990 PolarHBondContact O-N 2.86Å; K990-M1032 HydrophobicContact CB-CE 3.94Å; K990-M1032 HydrophobicContact CD-CE 3.62Å; K990-M1032 HydrophobicContact CG-CE 4.39Å; K990-E1035 VanDerWaalsContact CD-OE1 3.22Å; K990-E1035 WeakPolarHBondContact CD-OE1 3.33Å; K990-E1035 WeakPolarHBondContact CE-OE1 3.27Å; K990-E1035 IonicContact NZ-OE1 3.76Å; K990-E1035 PolarHBondContact NZ-OE1 3.21Å |
| 991 | L | 89.8 | Confident | 91.7 | Very high | 31 Ų | 31 | 32.5 Ų | 32.5 | 16% | 0.162 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.6 | -40.7 | 176 | -167.7 | 64.9 | 0 | 0 | 0 | 112.6 | Y613 F626 E627 P987 M988 F989 | Y613-L991 HydrophobicContact CE2-CD2 4.37Å; F626-L991 HydrophobicContact CD1-CD2 4.2Å; E627-L991 HydrophobicContact CB-CD2 3.66Å; E627-L991 HydrophobicContact CB-CG 4.26Å; E627-L991 HydrophobicContact CG-CD1 3.96Å; E627-L991 HydrophobicContact CG-CD2 3.8Å; E627-L991 HydrophobicContact CG-CG 3.84Å; P987-L991 PolarHBondContact O-N 3.47Å; M988-L991 WeakPolarHBondContact O-CB 3.34Å; M988-L991 PolarHBondContact O-N 3.26Å; F989-L991 PolarHBondContact O-N 3.5Å |
| 992 | A | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -99.9 | -14.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | F626 T630 M988 F989 T994 P995 F996 | F626-A992 HydrophobicContact CE1-CB 4.28Å; F626-A992 HydrophobicContact CZ-CB 4.43Å; T630-A992 HydrophobicContact CG2-CB 3.97Å; M988-A992 PolarHBondContact O-N 3.36Å; F989-A992 PolarHBondContact O-N 3.44Å; F989-A992 VanDerWaalsContact O-N 3.12Å; A992-T994 VanDerWaalsContact C-N 3.32Å; A992-T994 PolarHBondContact O-N 3.05Å; A992-P995 VanDerWaalsContact O-CD 3.25Å; A992-P995 WeakPolarHBondContact O-CD 3.33Å; A992-F996 HydrophobicContact CB-CD2 4.28Å; A992-F996 HydrophobicContact CB-CE1 4Å; A992-F996 HydrophobicContact CB-CE2 3.77Å; A992-F996 HydrophobicContact CB-CZ 3.63Å; A992-F996 WeakPolarHBondContact O-CD1 3.33Å; A992-F996 VanDerWaalsContact O-CG 3.27Å; A992-F996 WeakPolarHBondContact O-CG 3.32Å; A992-F996 PolarHBondContact O-N 3.3Å |
| 993 | W | 95.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 28.2 Ų | 28.2 | 10% | 0.102 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -31.2 | -168.2 | 77.3 | -88.1 | 0 | 0 | 0 | 114.4 | F989 L997 E1035 A1038 Y1039 | F989-W993 HydrophobicContact CD1-CB 4.32Å; F989-W993 HydrophobicContact CD2-CB 4.24Å; F989-W993 HydrophobicContact CE1-CB 3.93Å; F989-W993 HydrophobicContact CE2-CB 3.83Å; F989-W993 HydrophobicContact CG-CB 4.47Å; F989-W993 HydrophobicContact CZ-CB 3.67Å; F989-W993 WeakPolarHBondContact O-CB 3.49Å; F989-W993 PolarHBondContact O-N 3.17Å; W993-L997 HydrophobicContact CE3-CD2 4.35Å; W993-L997 HydrophobicContact CZ3-CD2 3.91Å; W993-L997 WeakPolarHBondContact O-CB 3.39Å; W993-L997 PolarHBondContact O-N 3.18Å; W993-E1035 HydrophobicContact CB-CG 4.44Å; W993-E1035 HydrophobicContact CD2-CB 4.43Å; W993-E1035 HydrophobicContact CD2-CG 3.66Å; W993-E1035 HydrophobicContact CE3-CG 4.23Å; W993-E1035 HydrophobicContact CG-CG 3.74Å; W993-E1035 HydrophobicContact CZ2-CG 4.31Å; W993-A1038 HydrophobicContact CH2-CB 4.45Å; W993-A1038 HydrophobicContact CZ3-CB 3.96Å; W993-Y1039 HydrophobicContact CB-CE2 4.18Å; W993-Y1039 HydrophobicContact CE3-CE2 4.03Å; W993-Y1039 PolarHBondContact O-OH 3.27Å |
| 994 | T | 93.6 | Very high | 91.9 | Very high | 70 Ų | 70 | 23.3 Ų | 23.3 | 43% | 0.429 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -73.5 | -47.4 | 179.9 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | A992 F996 L997 A998 | A992-T994 VanDerWaalsContact C-N 3.32Å; A992-T994 PolarHBondContact O-N 3.05Å; T994-F996 VanDerWaalsContact C-N 3.25Å; T994-F996 PolarHBondContact O-N 3.3Å; T994-L997 PolarHBondContact O-N 3.14Å; T994-A998 WeakPolarHBondContact O-CB 3.5Å; T994-A998 PolarHBondContact O-N 3.43Å |
| 995 | P | 92.4 | Very high | 91.7 | Very high | 24 Ų | 24 | 27.4 Ų | 27.4 | 16% | 0.156 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -52.6 | -42.6 | 168.7 | -24.9 | 25.2 | 0 | 0 | 0 | 113.3 | A634 A992 A998 A999 | A634-P995 HydrophobicContact CB-CB 3.59Å; A992-P995 VanDerWaalsContact O-CD 3.25Å; A992-P995 WeakPolarHBondContact O-CD 3.33Å; P995-A998 PolarHBondContact O-N 3.24Å; P995-A999 WeakPolarHBondContact O-CB 3.41Å; P995-A999 PolarHBondContact O-N 2.91Å |
| 996 | F | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.7 | -49.3 | -179.3 | -68.9 | -1.3 | 0 | 0 | 0 | 111.9 | T630 L670 I673 L674 A992 T994 A998 A999 F1000 Y1039 | T630-F996 HydrophobicContact CG2-CE1 3.83Å; T630-F996 HydrophobicContact CG2-CZ 3.71Å; L670-F996 HydrophobicContact CD2-CD1 3.77Å; L670-F996 HydrophobicContact CD2-CE1 3.48Å; L670-F996 VanDerWaalsContact CD2-CE1 3.48Å; L670-F996 HydrophobicContact CD2-CZ 4.4Å; I673-F996 HydrophobicContact CB-CZ 4.36Å; I673-F996 HydrophobicContact CG2-CE2 4.04Å; I673-F996 HydrophobicContact CG2-CZ 3.69Å; L674-F996 HydrophobicContact CD1-CD2 3.83Å; L674-F996 HydrophobicContact CD1-CE2 4.24Å; L674-F996 HydrophobicContact CD2-CD2 3.68Å; L674-F996 HydrophobicContact CD2-CE2 3.66Å; L674-F996 HydrophobicContact CG-CD2 3.79Å; L674-F996 HydrophobicContact CG-CE2 3.71Å; A992-F996 HydrophobicContact CB-CD2 4.28Å; A992-F996 HydrophobicContact CB-CE1 4Å; A992-F996 HydrophobicContact CB-CE2 3.77Å; A992-F996 HydrophobicContact CB-CZ 3.63Å; A992-F996 WeakPolarHBondContact O-CD1 3.33Å; A992-F996 VanDerWaalsContact O-CG 3.27Å; A992-F996 WeakPolarHBondContact O-CG 3.32Å; A992-F996 PolarHBondContact O-N 3.3Å; T994-F996 VanDerWaalsContact C-N 3.25Å; T994-F996 PolarHBondContact O-N 3.3Å; F996-A998 VanDerWaalsContact C-N 3.28Å; F996-A998 PolarHBondContact O-N 2.99Å; F996-A999 PolarHBondContact O-N 3.46Å; F996-A999 VanDerWaalsContact O-N 3.14Å; F996-F1000 HydrophobicContact CB-CD2 4.39Å; F996-F1000 HydrophobicContact CB-CE2 3.91Å; F996-F1000 WeakPolarHBondContact O-CD2 3.42Å; F996-F1000 WeakPolarHBondContact O-CG 3.45Å; F996-F1000 PolarHBondContact O-N 3.41Å; F996-Y1039 VanDerWaalsContact CB-OH 3.3Å; F996-Y1039 WeakPolarHBondContact CB-OH 3.22Å |
| 997 | L | 94.4 | Very high | 90.2 | Very high | 20 Ų | 20 | 26.7 Ų | 26.7 | 11% | 0.105 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 177.4 | 179.6 | 61.2 | 0 | 0 | 0 | 111 | W993 T994 S1001 A1038 Y1039 A1042 | W993-L997 HydrophobicContact CE3-CD2 4.35Å; W993-L997 HydrophobicContact CZ3-CD2 3.91Å; W993-L997 WeakPolarHBondContact O-CB 3.39Å; W993-L997 PolarHBondContact O-N 3.18Å; T994-L997 PolarHBondContact O-N 3.14Å; L997-S1001 WeakPolarHBondContact O-CB 3.43Å; L997-S1001 PolarHBondContact O-N 3.46Å; L997-S1001 PolarHBondContact O-OG 3.43Å; L997-A1038 HydrophobicContact CD2-CB 4.21Å; L997-Y1039 HydrophobicContact CB-CE1 3.89Å; L997-Y1039 HydrophobicContact CB-CE2 4.35Å; L997-Y1039 HydrophobicContact CD1-CD1 3.59Å; L997-Y1039 HydrophobicContact CD1-CE1 3.67Å; L997-Y1039 HydrophobicContact CD1-CG 4.15Å; L997-Y1039 HydrophobicContact CG-CE1 4.36Å; L997-Y1039 PolarHBondContact N-OH 2.95Å; L997-Y1039 VanDerWaalsContact N-OH 3.12Å; L997-A1042 HydrophobicContact CD1-CB 3.84Å |
| 998 | A | 90.8 | Very high | 89.5 | Confident | 24 Ų | 24 | 31.1 Ų | 31.1 | 20% | 0.198 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | T994 P995 F996 S1001 V1002 | T994-A998 WeakPolarHBondContact O-CB 3.5Å; T994-A998 PolarHBondContact O-N 3.43Å; P995-A998 PolarHBondContact O-N 3.24Å; F996-A998 VanDerWaalsContact C-N 3.28Å; F996-A998 PolarHBondContact O-N 2.99Å; A998-S1001 PolarHBondContact O-N 2.88Å; A998-V1002 WeakPolarHBondContact O-CB 3.43Å; A998-V1002 VanDerWaalsContact O-CG2 3.24Å; A998-V1002 WeakPolarHBondContact O-CG2 3.38Å; A998-V1002 PolarHBondContact O-N 2.98Å |
| 999 | A | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A634 A637 Q638 L670 P995 F996 G1003 | A634-A999 HydrophobicContact CB-CB 4.16Å; A637-A999 HydrophobicContact CB-CB 3.96Å; Q638-A999 HydrophobicContact CG-CB 4.25Å; L670-A999 HydrophobicContact CD1-CB 3.64Å; P995-A999 WeakPolarHBondContact O-CB 3.41Å; P995-A999 PolarHBondContact O-N 2.91Å; F996-A999 PolarHBondContact O-N 3.46Å; F996-A999 VanDerWaalsContact O-N 3.14Å; A999-G1003 PolarHBondContact O-N 3.49Å |
| 1000 | F | 94.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.5 | -37.8 | 178.5 | -57.9 | -42.9 | 0 | 0 | 0 | 112.4 | L667 L670 V671 L674 F996 G1003 L1004 C1016 I1020 Y1039 | L667-F1000 HydrophobicContact CD2-CD1 3.88Å; L667-F1000 HydrophobicContact CD2-CE1 4.14Å; L670-F1000 HydrophobicContact CB-CE1 4.08Å; L670-F1000 HydrophobicContact CB-CZ 3.97Å; L670-F1000 HydrophobicContact CD1-CE1 4.47Å; V671-F1000 HydrophobicContact CG2-CE1 4.08Å; V671-F1000 HydrophobicContact CG2-CZ 4.36Å; L674-F1000 HydrophobicContact CD1-CE2 3.53Å; L674-F1000 HydrophobicContact CD1-CZ 3.68Å; F996-F1000 HydrophobicContact CB-CD2 4.39Å; F996-F1000 HydrophobicContact CB-CE2 3.91Å; F996-F1000 WeakPolarHBondContact O-CD2 3.42Å; F996-F1000 WeakPolarHBondContact O-CG 3.45Å; F996-F1000 PolarHBondContact O-N 3.41Å; F1000-G1003 PolarHBondContact O-N 3.2Å; F1000-L1004 WeakPolarHBondContact O-CG 3.49Å; F1000-L1004 PolarHBondContact O-N 3.3Å; F1000-C1016 HydrophobicContact CB-CB 4.11Å; F1000-C1016 HydrophobicContact CD1-CB 4.25Å; F1000-I1020 HydrophobicContact CB-CD1 4.05Å; F1000-I1020 HydrophobicContact CB-CG1 3.88Å; F1000-I1020 HydrophobicContact CD2-CG1 4.05Å; F1000-I1020 HydrophobicContact CG-CG1 4.26Å; F1000-Y1039 HydrophobicContact CD2-CE1 4.36Å |
| 1001 | S | 91.5 | Very high | 88 | Confident | 24 Ų | 24 | 38.8 Ų | 38.8 | 17% | 0.168 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 177.7 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | L997 A998 G1003 L1004 Q1005 F1046 | L997-S1001 WeakPolarHBondContact O-CB 3.43Å; L997-S1001 PolarHBondContact O-N 3.46Å; L997-S1001 PolarHBondContact O-OG 3.43Å; A998-S1001 PolarHBondContact O-N 2.88Å; S1001-G1003 VanDerWaalsContact C-N 3.32Å; S1001-G1003 PolarHBondContact O-N 3.38Å; S1001-L1004 PolarHBondContact O-N 3.44Å; S1001-Q1005 VanDerWaalsContact O-CB 3.32Å; S1001-Q1005 WeakPolarHBondContact O-CB 3.45Å; S1001-Q1005 PolarHBondContact O-N 2.94Å; S1001-F1046 VanDerWaalsContact O-CZ 3.28Å; S1001-F1046 WeakPolarHBondContact O-CZ 3.34Å |
| 1002 | V | 87.6 | Confident | 87.9 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 175 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | Q638 A998 Q1005 D1006 | Q638-V1002 HydrophobicContact CB-CG1 4.24Å; Q638-V1002 HydrophobicContact CG-CB 4.21Å; Q638-V1002 HydrophobicContact CG-CG1 4.4Å; Q638-V1002 HydrophobicContact CG-CG2 4.28Å; A998-V1002 WeakPolarHBondContact O-CB 3.43Å; A998-V1002 VanDerWaalsContact O-CG2 3.24Å; A998-V1002 WeakPolarHBondContact O-CG2 3.38Å; A998-V1002 PolarHBondContact O-N 2.98Å; V1002-Q1005 PolarHBondContact O-N 3.49Å; V1002-D1006 WeakPolarHBondContact CG1-OD2 3.37Å; V1002-D1006 WeakPolarHBondContact O-CB 3.34Å; V1002-D1006 PolarHBondContact O-N 3.33Å |
| 1003 | G | 85.8 | Confident | 87.7 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 7% | 0.072 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A999 F1000 S1001 S1007 | A999-G1003 PolarHBondContact O-N 3.49Å; F1000-G1003 PolarHBondContact O-N 3.2Å; S1001-G1003 VanDerWaalsContact C-N 3.32Å; S1001-G1003 PolarHBondContact O-N 3.38Å; G1003-S1007 WeakPolarHBondContact O-CB 3.35Å; G1003-S1007 PolarHBondContact O-N 3.32Å; G1003-S1007 VanDerWaalsContact O-N 3.12Å |
| 1004 | L | 86.4 | Confident | 87.6 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.3 | -32.1 | 177.6 | -73.3 | 168.7 | 0 | 0 | 0 | 113.3 | F1000 S1001 N1013 C1016 L1017 I1020 F1046 K1118 | F1000-L1004 WeakPolarHBondContact O-CG 3.49Å; F1000-L1004 PolarHBondContact O-N 3.3Å; S1001-L1004 PolarHBondContact O-N 3.44Å; L1004-N1013 HydrophobicContact CD2-CB 4.38Å; L1004-C1016 HydrophobicContact CD1-CB 4.1Å; L1004-C1016 HydrophobicContact CD2-CB 3.91Å; L1004-C1016 HydrophobicContact CG-CB 3.6Å; L1004-L1017 HydrophobicContact CD1-CD2 4.09Å; L1004-L1017 HydrophobicContact CD2-CD2 4.13Å; L1004-L1017 HydrophobicContact CD2-CG 4.04Å; L1004-I1020 HydrophobicContact CD1-CD1 3.62Å; L1004-F1046 HydrophobicContact CB-CD1 4Å; L1004-F1046 HydrophobicContact CB-CD2 4.46Å; L1004-F1046 HydrophobicContact CB-CE1 3.85Å; L1004-F1046 HydrophobicContact CB-CE2 4.34Å; L1004-F1046 HydrophobicContact CB-CG 4.33Å; L1004-F1046 HydrophobicContact CB-CZ 4.04Å; L1004-F1046 HydrophobicContact CD1-CD2 3.91Å; L1004-F1046 HydrophobicContact CD1-CE2 4.2Å; L1004-F1046 HydrophobicContact CD1-CG 4.21Å; L1004-K1118 WeakPolarHBondContact O-CE 3.28Å; L1004-K1118 PolarHBondContact O-NZ 3.28Å |
| 1005 | Q | 84.7 | Confident | 87.5 | Confident | 88 Ų | 88 | 40.5 Ų | 40.5 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -74.6 | -52.1 | 179.2 | -172.6 | 174.5 | 4.8 | 0 | 0 | 111.8 | S1001 V1002 F1046 | S1001-Q1005 VanDerWaalsContact O-CB 3.32Å; S1001-Q1005 WeakPolarHBondContact O-CB 3.45Å; S1001-Q1005 PolarHBondContact O-N 2.94Å; V1002-Q1005 PolarHBondContact O-N 3.49Å; Q1005-F1046 HydrophobicContact CB-CE1 4.21Å |
| 1006 | D | 77 | Confident | 87.6 | Confident | 86 Ų | 86 | 39.3 Ų | 39.3 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -89.5 | -21.4 | -167 | -65.8 | -12.8 | 0 | 0 | 0 | 113.3 | R640 V1002 | R640-D1006 IonicContact CZ-OD2 3.4Å; R640-D1006 IonicContact NE-OD2 2.7Å; R640-D1006 IonicContact NH2-OD1 2.66Å; R640-D1006 IonicContact NH2-OD2 3.78Å; R640-D1006 PolarHBondContact NH2-OD2 3.24Å; V1002-D1006 WeakPolarHBondContact CG1-OD2 3.37Å; V1002-D1006 WeakPolarHBondContact O-CB 3.34Å; V1002-D1006 PolarHBondContact O-N 3.33Å |
| 1007 | S | 76.1 | Confident | 87.6 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | trans | -100.8 | 141.5 | -176.7 | -166.4 | 0 | 0 | 0 | 0 | 113.4 | G1003 A1009 N1013 K1118 | G1003-S1007 WeakPolarHBondContact O-CB 3.35Å; G1003-S1007 PolarHBondContact O-N 3.32Å; G1003-S1007 VanDerWaalsContact O-N 3.12Å; S1007-A1009 PolarHBondContact OG-N 2.97Å; S1007-A1009 VanDerWaalsContact OG-N 3.16Å; S1007-N1013 PolarHBondContact O-OD1 3.48Å; S1007-K1118 PolarHBondContact O-NZ 3.19Å | ||
| 1008 | D | 76 | Confident | 87.6 | Confident | 105 Ų | 105 | 40.5 Ų | 40.5 | 56% | 0.561 | 22% | 0.221 | S | C | * | . | trans | -106.4 | -0.9 | 165.9 | -73.8 | -26.6 | 0 | 0 | 0 | 112.1 | K1116 K1118 | D1008-K1116 WeakPolarHBondContact OD1-CD 3.36Å; D1008-K1116 IonicContact OD1-NZ 3.72Å; D1008-K1116 PolarHBondContact OD1-NZ 2.87Å; D1008-K1116 IonicContact OD2-NZ 3.96Å; D1008-K1116 PolarHBondContact OD2-NZ 3.28Å; D1008-K1118 IonicContact OD1-NZ 2.71Å | ||
| 1009 | A | 81.2 | Confident | 87.8 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 33% | 0.331 | 21% | 0.212 | S | C | . | . | trans | -73.5 | 128.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1007 D1011 V1012 N1013 | S1007-A1009 PolarHBondContact OG-N 2.97Å; S1007-A1009 VanDerWaalsContact OG-N 3.16Å; A1009-D1011 VanDerWaalsContact C-N 3.34Å; A1009-D1011 WeakPolarHBondContact CB-OD1 3.36Å; A1009-D1011 PolarHBondContact O-N 3.44Å; A1009-V1012 HydrophobicContact CB-CB 4.34Å; A1009-V1012 HydrophobicContact CB-CG2 4.2Å; A1009-V1012 PolarHBondContact O-N 3.45Å; A1009-N1013 VanDerWaalsContact O-CG 3.27Å; A1009-N1013 PolarHBondContact O-N 3.44Å; A1009-N1013 VanDerWaalsContact O-N 3.07Å; A1009-N1013 PolarHBondContact O-ND2 2.91Å | ||
| 1010 | M | 84.3 | Confident | 88 | Confident | 137 Ų | 137 | 39.3 Ų | 39.3 | 68% | 0.675 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64.6 | -36.4 | -171.8 | -171.6 | -179.1 | -71.7 | 0 | 0 | 112.9 | H1014 | M1010-H1014 WeakPolarHBondContact O-CB 3.45Å; M1010-H1014 PolarHBondContact O-N 2.87Å |
| 1011 | D | 84.8 | Confident | 88 | Confident | 90 Ų | 90 | 42.6 Ų | 42.6 | 48% | 0.481 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.5 | -48 | 175.6 | 56.8 | -19.4 | 0 | 0 | 0 | 112.4 | A1009 N1013 H1014 L1015 | A1009-D1011 VanDerWaalsContact C-N 3.34Å; A1009-D1011 WeakPolarHBondContact CB-OD1 3.36Å; A1009-D1011 PolarHBondContact O-N 3.44Å; D1011-N1013 PolarHBondContact O-N 3.35Å; D1011-H1014 PolarHBondContact O-N 3.15Å; D1011-L1015 WeakPolarHBondContact O-CG 3.39Å; D1011-L1015 PolarHBondContact O-N 3.27Å |
| 1012 | V | 88.2 | Confident | 88.1 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L667 A1009 H1014 L1015 C1016 | L667-V1012 HydrophobicContact CD1-CB 4.48Å; L667-V1012 HydrophobicContact CD1-CG1 3.65Å; A1009-V1012 HydrophobicContact CB-CB 4.34Å; A1009-V1012 HydrophobicContact CB-CG2 4.2Å; A1009-V1012 PolarHBondContact O-N 3.45Å; V1012-H1014 VanDerWaalsContact C-N 3.34Å; V1012-H1014 PolarHBondContact O-N 3.33Å; V1012-L1015 PolarHBondContact O-N 2.96Å; V1012-C1016 PolarHBondContact O-N 3.15Å; V1012-C1016 PolarHBondContact O-SG 3.27Å |
| 1013 | N | 89.7 | Confident | 88.5 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 178.2 | -67.6 | -33.9 | 0 | 0 | 0 | 111.5 | L1004 S1007 A1009 D1011 C1016 L1017 K1118 | L1004-N1013 HydrophobicContact CD2-CB 4.38Å; S1007-N1013 PolarHBondContact O-OD1 3.48Å; A1009-N1013 VanDerWaalsContact O-CG 3.27Å; A1009-N1013 PolarHBondContact O-N 3.44Å; A1009-N1013 VanDerWaalsContact O-N 3.07Å; A1009-N1013 PolarHBondContact O-ND2 2.91Å; D1011-N1013 PolarHBondContact O-N 3.35Å; N1013-C1016 PolarHBondContact O-N 3.44Å; N1013-L1017 WeakPolarHBondContact O-CG 3.43Å; N1013-L1017 PolarHBondContact O-N 3.39Å; N1013-K1118 HydrophobicContact CB-CB 4.13Å; N1013-K1118 WeakPolarHBondContact ND2-CB 3.14Å |
| 1014 | H | 92.1 | Very high | 88.9 | Confident | 114 Ų | 114 | 42.5 Ų | 42.5 | 53% | 0.528 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 176.5 | -177.3 | 67.6 | 0 | 0 | 0 | 111.9 | M1010 D1011 V1012 C1016 L1017 E1018 | M1010-H1014 WeakPolarHBondContact O-CB 3.45Å; M1010-H1014 PolarHBondContact O-N 2.87Å; D1011-H1014 PolarHBondContact O-N 3.15Å; V1012-H1014 VanDerWaalsContact C-N 3.34Å; V1012-H1014 PolarHBondContact O-N 3.33Å; H1014-C1016 PolarHBondContact O-N 3Å; H1014-L1017 PolarHBondContact O-N 3.49Å; H1014-E1018 VanDerWaalsContact O-CB 3.32Å; H1014-E1018 WeakPolarHBondContact O-CB 3.16Å; H1014-E1018 PolarHBondContact O-N 3.02Å |
| 1015 | L | 93.4 | Very high | 89.2 | Confident | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.131 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | 177.3 | -72.3 | 171.6 | 0 | 0 | 0 | 112 | L667 E668 V671 D1011 V1012 E1018 G1019 | L667-L1015 HydrophobicContact CB-CB 4.48Å; L667-L1015 HydrophobicContact CB-CD1 4.32Å; E668-L1015 HydrophobicContact CB-CD1 4.27Å; E668-L1015 HydrophobicContact CB-CD2 4.45Å; E668-L1015 HydrophobicContact CG-CD2 4.49Å; V671-L1015 HydrophobicContact CG2-CB 4.28Å; V671-L1015 HydrophobicContact CG2-CD2 4.27Å; V671-L1015 WeakPolarHBondContact CG2-O 3.44Å; D1011-L1015 WeakPolarHBondContact O-CG 3.39Å; D1011-L1015 PolarHBondContact O-N 3.27Å; V1012-L1015 PolarHBondContact O-N 2.96Å; L1015-E1018 PolarHBondContact O-N 3.47Å; L1015-G1019 PolarHBondContact O-N 3.44Å |
| 1016 | C | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 178.5 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | F1000 L1004 V1012 N1013 H1014 G1019 I1020 | F1000-C1016 HydrophobicContact CB-CB 4.11Å; F1000-C1016 HydrophobicContact CD1-CB 4.25Å; L1004-C1016 HydrophobicContact CD1-CB 4.1Å; L1004-C1016 HydrophobicContact CD2-CB 3.91Å; L1004-C1016 HydrophobicContact CG-CB 3.6Å; V1012-C1016 PolarHBondContact O-N 3.15Å; V1012-C1016 PolarHBondContact O-SG 3.27Å; N1013-C1016 PolarHBondContact O-N 3.44Å; H1014-C1016 PolarHBondContact O-N 3Å; C1016-G1019 PolarHBondContact O-N 3.25Å; C1016-I1020 VanDerWaalsContact O-CG1 3.29Å; C1016-I1020 WeakPolarHBondContact O-CG1 3.46Å; C1016-I1020 PolarHBondContact O-N 2.9Å |
| 1017 | L | 94.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67 | -39.7 | 177.8 | -69.7 | 175.4 | 0 | 0 | 0 | 112.1 | L1004 N1013 H1014 I1020 R1021 L1043 D1121 T1122 T1125 | L1004-L1017 HydrophobicContact CD1-CD2 4.09Å; L1004-L1017 HydrophobicContact CD2-CD2 4.13Å; L1004-L1017 HydrophobicContact CD2-CG 4.04Å; N1013-L1017 WeakPolarHBondContact O-CG 3.43Å; N1013-L1017 PolarHBondContact O-N 3.39Å; H1014-L1017 PolarHBondContact O-N 3.49Å; L1017-I1020 PolarHBondContact O-N 3.19Å; L1017-R1021 WeakPolarHBondContact O-CB 3.28Å; L1017-R1021 PolarHBondContact O-N 3.38Å; L1017-L1043 HydrophobicContact CD2-CD1 3.67Å; L1017-D1121 HydrophobicContact CD1-CB 3.56Å; L1017-T1122 HydrophobicContact CD2-CG2 4.17Å; L1017-T1125 HydrophobicContact CB-CG2 4.35Å |
| 1018 | E | 94.1 | Very high | 91.1 | Very high | 40 Ų | 40 | 35.1 Ų | 35.1 | 19% | 0.187 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 174.1 | 177.6 | 157.8 | -123.9 | 0 | 0 | 112 | V671 H1014 L1015 I1020 R1021 Y1022 | V671-E1018 HydrophobicContact CG1-CG 3.85Å; H1014-E1018 VanDerWaalsContact O-CB 3.32Å; H1014-E1018 WeakPolarHBondContact O-CB 3.16Å; H1014-E1018 PolarHBondContact O-N 3.02Å; L1015-E1018 PolarHBondContact O-N 3.47Å; E1018-I1020 PolarHBondContact O-N 3.39Å; E1018-R1021 WeakPolarHBondContact O-CB 3.11Å; E1018-R1021 PolarHBondContact O-N 3.48Å; E1018-R1021 IonicContact OE1-CZ 2.89Å; E1018-R1021 IonicContact OE1-NH1 2.62Å; E1018-R1021 IonicContact OE1-NH2 3.85Å; E1018-R1021 PolarHBondContact OE1-NH2 3.02Å; E1018-Y1022 HydrophobicContact CG-CD2 3.74Å; E1018-Y1022 HydrophobicContact CG-CE2 3.43Å; E1018-Y1022 VanDerWaalsContact CG-CE2 3.43Å; E1018-Y1022 VanDerWaalsContact O-CD2 3.27Å; E1018-Y1022 WeakPolarHBondContact O-CD2 3.32Å; E1018-Y1022 PolarHBondContact O-N 3.09Å |
| 1019 | G | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L674 L1015 C1016 R1021 Y1022 A1023 | L674-G1019 WeakPolarHBondContact CD1-O 3.43Å; L1015-G1019 PolarHBondContact O-N 3.44Å; C1016-G1019 PolarHBondContact O-N 3.25Å; G1019-R1021 VanDerWaalsContact C-N 3.32Å; G1019-R1021 PolarHBondContact O-N 3.26Å; G1019-Y1022 PolarHBondContact O-N 3.47Å; G1019-A1023 WeakPolarHBondContact O-CB 3.13Å; G1019-A1023 PolarHBondContact O-N 3.45Å |
| 1020 | I | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 175 | -69.1 | 167.9 | 0 | 0 | 0 | 111.1 | F1000 L1004 C1016 L1017 E1018 A1023 I1024 Y1039 L1043 | F1000-I1020 HydrophobicContact CB-CD1 4.05Å; F1000-I1020 HydrophobicContact CB-CG1 3.88Å; F1000-I1020 HydrophobicContact CD2-CG1 4.05Å; F1000-I1020 HydrophobicContact CG-CG1 4.26Å; L1004-I1020 HydrophobicContact CD1-CD1 3.62Å; C1016-I1020 VanDerWaalsContact O-CG1 3.29Å; C1016-I1020 WeakPolarHBondContact O-CG1 3.46Å; C1016-I1020 PolarHBondContact O-N 2.9Å; L1017-I1020 PolarHBondContact O-N 3.19Å; E1018-I1020 PolarHBondContact O-N 3.39Å; I1020-A1023 PolarHBondContact O-N 2.99Å; I1020-I1024 HydrophobicContact CG2-CD1 3.72Å; I1020-I1024 HydrophobicContact CG2-CG1 4.34Å; I1020-I1024 VanDerWaalsContact O-CG1 3.3Å; I1020-I1024 WeakPolarHBondContact O-CG1 3.27Å; I1020-I1024 PolarHBondContact O-N 3.46Å; I1020-Y1039 HydrophobicContact CB-CD1 4.33Å; I1020-Y1039 HydrophobicContact CG1-CD1 4.1Å; I1020-Y1039 HydrophobicContact CG1-CE1 4.34Å; I1020-Y1039 HydrophobicContact CG2-CD1 4.03Å; I1020-L1043 HydrophobicContact CD1-CD1 4.46Å; I1020-L1043 HydrophobicContact CG2-CB 4.31Å; I1020-L1043 HydrophobicContact CG2-CD1 4.01Å; I1020-L1043 HydrophobicContact CG2-CD2 4.39Å; I1020-L1043 HydrophobicContact CG2-CG 4.49Å |
| 1021 | R | 94.4 | Very high | 92.2 | Very high | 68 Ų | 68 | 29.9 Ų | 29.9 | 26% | 0.257 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 177.1 | -170.5 | -174.6 | 77.6 | -120.2 | -0.2 | 111.7 | L1017 E1018 G1019 I1024 R1025 T1125 V1129 | L1017-R1021 WeakPolarHBondContact O-CB 3.28Å; L1017-R1021 PolarHBondContact O-N 3.38Å; E1018-R1021 WeakPolarHBondContact O-CB 3.11Å; E1018-R1021 PolarHBondContact O-N 3.48Å; E1018-R1021 IonicContact OE1-CZ 2.89Å; E1018-R1021 IonicContact OE1-NH1 2.62Å; E1018-R1021 IonicContact OE1-NH2 3.85Å; E1018-R1021 PolarHBondContact OE1-NH2 3.02Å; G1019-R1021 VanDerWaalsContact C-N 3.32Å; G1019-R1021 PolarHBondContact O-N 3.26Å; R1021-I1024 PolarHBondContact O-N 2.9Å; R1021-R1025 WeakPolarHBondContact O-CB 3.19Å; R1021-R1025 PolarHBondContact O-N 3.06Å; R1021-T1125 HydrophobicContact CB-CG2 4.33Å; R1021-V1129 HydrophobicContact CG-CG2 4.2Å |
| 1022 | Y | 95 | Very high | 92.5 | Very high | 41 Ų | 41 | 26.1 Ų | 26.1 | 16% | 0.161 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.9 | -73.7 | -60.9 | 0 | 0 | 0 | 112.4 | V671 R675 T678 E1018 G1019 I1024 R1025 I1026 | V671-Y1022 HydrophobicContact CG1-CD2 4.3Å; V671-Y1022 HydrophobicContact CG1-CE2 4.32Å; R675-Y1022 HydrophobicContact CB-CD2 4.4Å; R675-Y1022 HydrophobicContact CB-CE1 4.48Å; R675-Y1022 HydrophobicContact CB-CE2 4.06Å; R675-Y1022 HydrophobicContact CG-CE1 4.13Å; R675-Y1022 HydrophobicContact CG-CE2 4.16Å; T678-Y1022 HydrophobicContact CG2-CD1 4.07Å; T678-Y1022 HydrophobicContact CG2-CE1 4.41Å; T678-Y1022 WeakPolarHBondContact OG1-CD1 3.42Å; E1018-Y1022 HydrophobicContact CG-CD2 3.74Å; E1018-Y1022 HydrophobicContact CG-CE2 3.43Å; E1018-Y1022 VanDerWaalsContact CG-CE2 3.43Å; E1018-Y1022 VanDerWaalsContact O-CD2 3.27Å; E1018-Y1022 WeakPolarHBondContact O-CD2 3.32Å; E1018-Y1022 PolarHBondContact O-N 3.09Å; G1019-Y1022 PolarHBondContact O-N 3.47Å; Y1022-I1024 PolarHBondContact O-N 3.12Å; Y1022-R1025 WeakPolarHBondContact O-CB 3.31Å; Y1022-R1025 PolarHBondContact O-N 3.5Å; Y1022-I1026 WeakPolarHBondContact O-CG1 3.37Å; Y1022-I1026 PolarHBondContact O-N 2.91Å |
| 1023 | A | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L674 F989 G1019 I1020 R1025 I1026 A1027 Y1039 | L674-A1023 HydrophobicContact CD1-CB 4.24Å; L674-A1023 HydrophobicContact CD2-CB 4.33Å; F989-A1023 HydrophobicContact CE2-CB 3.92Å; F989-A1023 HydrophobicContact CZ-CB 3.86Å; F989-A1023 WeakPolarHBondContact CZ-O 3.41Å; G1019-A1023 WeakPolarHBondContact O-CB 3.13Å; G1019-A1023 PolarHBondContact O-N 3.45Å; I1020-A1023 PolarHBondContact O-N 2.99Å; A1023-R1025 VanDerWaalsContact C-N 3.34Å; A1023-I1026 PolarHBondContact O-N 3.15Å; A1023-A1027 WeakPolarHBondContact O-CB 3.23Å; A1023-A1027 PolarHBondContact O-N 3Å; A1023-Y1039 HydrophobicContact CB-CD1 3.85Å; A1023-Y1039 HydrophobicContact CB-CD2 4.02Å; A1023-Y1039 HydrophobicContact CB-CE1 3.5Å; A1023-Y1039 VanDerWaalsContact CB-CE1 3.5Å; A1023-Y1039 HydrophobicContact CB-CE2 3.72Å; A1023-Y1039 HydrophobicContact CB-CG 4.1Å; A1023-Y1039 VanDerWaalsContact CB-CZ 3.44Å |
| 1024 | I | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 174.1 | -66.2 | 164.6 | 0 | 0 | 0 | 110.3 | I1020 R1021 Y1022 A1027 C1028 Y1039 V1040 L1043 V1129 L1137 | I1020-I1024 HydrophobicContact CG2-CD1 3.72Å; I1020-I1024 HydrophobicContact CG2-CG1 4.34Å; I1020-I1024 VanDerWaalsContact O-CG1 3.3Å; I1020-I1024 WeakPolarHBondContact O-CG1 3.27Å; I1020-I1024 PolarHBondContact O-N 3.46Å; R1021-I1024 PolarHBondContact O-N 2.9Å; Y1022-I1024 PolarHBondContact O-N 3.12Å; I1024-A1027 PolarHBondContact O-N 3.26Å; I1024-C1028 WeakPolarHBondContact O-CB 3.23Å; I1024-C1028 PolarHBondContact O-N 2.88Å; I1024-C1028 PolarHBondContact O-SG 3.14Å; I1024-Y1039 HydrophobicContact CG1-CG 4.38Å; I1024-V1040 HydrophobicContact CD1-CG2 3.87Å; I1024-V1040 HydrophobicContact CG1-CG2 4.15Å; I1024-V1040 HydrophobicContact CG2-CG2 4.23Å; I1024-L1043 HydrophobicContact CD1-CD2 4.21Å; I1024-V1129 HydrophobicContact CD1-CG1 4.24Å; I1024-V1129 HydrophobicContact CD1-CG2 4.06Å; I1024-V1129 HydrophobicContact CG2-CG1 3.75Å; I1024-L1137 HydrophobicContact CG2-CD2 4.47Å |
| 1025 | R | 92.4 | Very high | 92.8 | Very high | 48 Ų | 48 | 29.2 Ų | 29.2 | 18% | 0.181 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 177.9 | 175.9 | 62 | 64.9 | 103.5 | 0.9 | 111.9 | T678 Y685 R1021 Y1022 A1023 A1027 C1028 I1029 T1132 D1133 | T678-R1025 HydrophobicContact CG2-CG 3.71Å; Y685-R1025 VanDerWaalsContact CD1-NH1 3.34Å; Y685-R1025 VanDerWaalsContact CE1-CZ 3.49Å; Y685-R1025 PolarHBondContact OH-NE 2.86Å; Y685-R1025 PolarHBondContact OH-NH1 3.38Å; Y685-R1025 PolarHBondContact OH-NH2 3.41Å; Y685-R1025 VanDerWaalsContact OH-NH2 3.15Å; R1021-R1025 WeakPolarHBondContact O-CB 3.19Å; R1021-R1025 PolarHBondContact O-N 3.06Å; Y1022-R1025 WeakPolarHBondContact O-CB 3.31Å; Y1022-R1025 PolarHBondContact O-N 3.5Å; A1023-R1025 VanDerWaalsContact C-N 3.34Å; R1025-A1027 VanDerWaalsContact C-N 3.35Å; R1025-A1027 PolarHBondContact O-N 3.01Å; R1025-C1028 WeakPolarHBondContact O-CB 3.46Å; R1025-C1028 PolarHBondContact O-N 3.33Å; R1025-I1029 HydrophobicContact CG-CD1 3.97Å; R1025-I1029 VanDerWaalsContact O-CG1 3.32Å; R1025-I1029 WeakPolarHBondContact O-CG1 3.4Å; R1025-I1029 PolarHBondContact O-N 3.22Å; R1025-T1132 VanDerWaalsContact NH2-CB 3.28Å; R1025-T1132 PolarHBondContact NH2-OG1 2.93Å; R1025-D1133 VanDerWaalsContact CD-OD1 3.28Å; R1025-D1133 WeakPolarHBondContact CD-OD1 3.36Å; R1025-D1133 IonicContact CZ-OD1 2.99Å; R1025-D1133 IonicContact CZ-OD2 3.75Å; R1025-D1133 IonicContact NE-OD1 3.56Å; R1025-D1133 PolarHBondContact NE-OD1 3Å; R1025-D1133 IonicContact NE-OD2 2.93Å; R1025-D1133 PolarHBondContact NE-OD2 3.07Å; R1025-D1133 IonicContact NH2-OD1 3.55Å; R1025-D1133 IonicContact NH2-OD2 3.28Å |
| 1026 | I | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.6 | -65.3 | 161.4 | 0 | 0 | 0 | 110.4 | L674 M677 T678 V985 F989 Y1022 A1023 C1028 I1029 F1030 | L674-I1026 HydrophobicContact CB-CD1 4.44Å; L674-I1026 HydrophobicContact CD2-CD1 3.61Å; M677-I1026 HydrophobicContact CB-CD1 3.57Å; M677-I1026 HydrophobicContact CB-CG1 4.37Å; M677-I1026 HydrophobicContact SD-CD1 4.25Å; T678-I1026 WeakPolarHBondContact OG1-CG1 3.45Å; V985-I1026 HydrophobicContact CG1-CG2 4.02Å; F989-I1026 HydrophobicContact CB-CG2 3.87Å; F989-I1026 HydrophobicContact CD1-CB 4.47Å; F989-I1026 HydrophobicContact CD1-CG2 3.76Å; F989-I1026 HydrophobicContact CD2-CD1 4.3Å; F989-I1026 HydrophobicContact CD2-CG2 4.22Å; F989-I1026 HydrophobicContact CE1-CG2 4.35Å; F989-I1026 HydrophobicContact CG-CB 4.47Å; F989-I1026 HydrophobicContact CG-CG2 3.68Å; Y1022-I1026 WeakPolarHBondContact O-CG1 3.37Å; Y1022-I1026 PolarHBondContact O-N 2.91Å; A1023-I1026 PolarHBondContact O-N 3.15Å; I1026-C1028 PolarHBondContact O-N 3.46Å; I1026-I1029 PolarHBondContact O-N 3.14Å; I1026-F1030 HydrophobicContact CG2-CD2 3.93Å; I1026-F1030 HydrophobicContact CG2-CE2 4.25Å; I1026-F1030 WeakPolarHBondContact O-CD2 3.49Å; I1026-F1030 PolarHBondContact O-N 2.81Å; I1026-F1030 VanDerWaalsContact O-N 3.1Å |
| 1027 | A | 93.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61 | -34.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F989 A1023 I1024 R1025 H1031 M1032 E1035 R1036 | F989-A1027 HydrophobicContact CE1-CB 4.11Å; A1023-A1027 WeakPolarHBondContact O-CB 3.23Å; A1023-A1027 PolarHBondContact O-N 3Å; I1024-A1027 PolarHBondContact O-N 3.26Å; R1025-A1027 VanDerWaalsContact C-N 3.35Å; R1025-A1027 PolarHBondContact O-N 3.01Å; A1027-H1031 PolarHBondContact O-N 2.91Å; A1027-M1032 HydrophobicContact CB-CB 4.16Å; A1027-M1032 PolarHBondContact O-N 3.13Å; A1027-E1035 HydrophobicContact CB-CB 4.09Å; A1027-R1036 HydrophobicContact CB-CB 3.81Å |
| 1028 | C | 90.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.1 | -45.3 | 174.3 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | I1024 R1025 I1026 F1030 H1031 Y1136 | I1024-C1028 WeakPolarHBondContact O-CB 3.23Å; I1024-C1028 PolarHBondContact O-N 2.88Å; I1024-C1028 PolarHBondContact O-SG 3.14Å; R1025-C1028 WeakPolarHBondContact O-CB 3.46Å; R1025-C1028 PolarHBondContact O-N 3.33Å; I1026-C1028 PolarHBondContact O-N 3.46Å; C1028-F1030 VanDerWaalsContact C-N 3.32Å; C1028-F1030 PolarHBondContact O-N 3.47Å; C1028-H1031 PolarHBondContact O-N 3.29Å; C1028-Y1136 VanDerWaalsContact CB-CB 3.42Å; C1028-Y1136 HydrophobicContact CB-CD2 4.37Å; C1028-Y1136 HydrophobicContact CB-CG 3.97Å; C1028-Y1136 WeakPolarHBondContact O-CD1 3.21Å |
| 1029 | I | 87.9 | Confident | 92.6 | Very high | 12 Ų | 12 | 29 Ų | 29 | 6% | 0.062 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 178.5 | -70.5 | 165 | 0 | 0 | 0 | 111.1 | L684 Y685 R1025 I1026 | L684-I1029 HydrophobicContact CB-CG2 3.76Å; L684-I1029 HydrophobicContact CD1-CG2 4.22Å; Y685-I1029 HydrophobicContact CD2-CD1 4.1Å; Y685-I1029 HydrophobicContact CD2-CG1 3.52Å; Y685-I1029 HydrophobicContact CE2-CG1 4.48Å; Y685-I1029 HydrophobicContact CG-CD1 4.31Å; Y685-I1029 HydrophobicContact CG-CG1 4.1Å; R1025-I1029 HydrophobicContact CG-CD1 3.97Å; R1025-I1029 VanDerWaalsContact O-CG1 3.32Å; R1025-I1029 WeakPolarHBondContact O-CG1 3.4Å; R1025-I1029 PolarHBondContact O-N 3.22Å; I1026-I1029 PolarHBondContact O-N 3.14Å |
| 1030 | F | 89.7 | Confident | 92.5 | Very high | 24 Ų | 24 | 29 Ų | 29 | 11% | 0.105 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 14.4 | -175.4 | -66 | -72.8 | 0 | 0 | 0 | 114.2 | L684 V985 R986 I1026 C1028 M1032 | L684-F1030 HydrophobicContact CD1-CD1 4.45Å; L684-F1030 HydrophobicContact CD1-CE1 3.62Å; L684-F1030 HydrophobicContact CD1-CZ 3.96Å; V985-F1030 HydrophobicContact CB-CE2 3.7Å; V985-F1030 HydrophobicContact CB-CZ 3.77Å; V985-F1030 HydrophobicContact CG1-CD2 4.43Å; V985-F1030 HydrophobicContact CG1-CE2 3.56Å; V985-F1030 HydrophobicContact CG1-CZ 4.16Å; R986-F1030 HydrophobicContact CB-CB 4.24Å; R986-F1030 HydrophobicContact CB-CD1 3.71Å; R986-F1030 HydrophobicContact CB-CD2 4.32Å; R986-F1030 HydrophobicContact CB-CE1 4.09Å; R986-F1030 HydrophobicContact CB-CG 3.82Å; R986-F1030 HydrophobicContact CG-CB 4.13Å; R986-F1030 HydrophobicContact CG-CD1 4.35Å; R986-F1030 HydrophobicContact CG-CG 4.27Å; I1026-F1030 HydrophobicContact CG2-CD2 3.93Å; I1026-F1030 HydrophobicContact CG2-CE2 4.25Å; I1026-F1030 WeakPolarHBondContact O-CD2 3.49Å; I1026-F1030 PolarHBondContact O-N 2.81Å; I1026-F1030 VanDerWaalsContact O-N 3.1Å; C1028-F1030 VanDerWaalsContact C-N 3.32Å; C1028-F1030 PolarHBondContact O-N 3.47Å; F1030-M1032 HydrophobicContact CB-CG 3.87Å; F1030-M1032 HydrophobicContact CB-SD 4.02Å; F1030-M1032 PolarHBondContact O-N 3.05Å |
| 1031 | H | 88.3 | Confident | 92.2 | Very high | 136 Ų | 136 | 31 Ų | 31 | 63% | 0.63 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 38.5 | 179.4 | -57.3 | -74.3 | 0 | 0 | 0 | 114.2 | A1027 C1028 E1033 Y1136 | A1027-H1031 PolarHBondContact O-N 2.91Å; C1028-H1031 PolarHBondContact O-N 3.29Å; H1031-E1033 PolarHBondContact O-N 3.19Å; H1031-E1033 VanDerWaalsContact O-N 3.17Å; H1031-Y1136 AromaticContact CE1-CD1 3.78Å; H1031-Y1136 AromaticContact CE1-CE1 3.85Å |
| 1032 | M | 91.2 | Very high | 91.9 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 5% | 0.054 | 14% | 0.135 | C | C | . | . | trans | -87.1 | 80.4 | -179.2 | -60.4 | 179.5 | 75.9 | 0 | 0 | 110.2 | R986 F989 K990 A1027 F1030 L1034 E1035 R1036 | R986-M1032 HydrophobicContact CG-SD 4.15Å; F989-M1032 HydrophobicContact CD1-CE 4.03Å; F989-M1032 HydrophobicContact CD1-SD 3.79Å; F989-M1032 HydrophobicContact CE1-SD 4.46Å; K990-M1032 HydrophobicContact CB-CE 3.94Å; K990-M1032 HydrophobicContact CD-CE 3.62Å; K990-M1032 HydrophobicContact CG-CE 4.39Å; A1027-M1032 HydrophobicContact CB-CB 4.16Å; A1027-M1032 PolarHBondContact O-N 3.13Å; F1030-M1032 HydrophobicContact CB-CG 3.87Å; F1030-M1032 HydrophobicContact CB-SD 4.02Å; F1030-M1032 PolarHBondContact O-N 3.05Å; M1032-L1034 PolarHBondContact O-N 3.26Å; M1032-E1035 HydrophobicContact CB-CB 4.17Å; M1032-E1035 HydrophobicContact CB-CG 4.37Å; M1032-E1035 WeakPolarHBondContact CB-OE2 3.44Å; M1032-E1035 HydrophobicContact CE-CG 4.03Å; M1032-E1035 PolarHBondContact O-N 3.01Å; M1032-R1036 WeakPolarHBondContact O-CB 3.11Å; M1032-R1036 PolarHBondContact O-N 3.44Å | ||
| 1033 | E | 91.1 | Very high | 91.7 | Very high | 117 Ų | 117 | 26.3 Ų | 26.3 | 55% | 0.547 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.4 | -42.4 | -170 | -60.9 | -171 | 161.7 | 0 | 0 | 113.9 | H1031 D1037 | H1031-E1033 PolarHBondContact O-N 3.19Å; H1031-E1033 VanDerWaalsContact O-N 3.17Å; E1033-D1037 VanDerWaalsContact O-CB 3.28Å; E1033-D1037 WeakPolarHBondContact O-CB 3.33Å; E1033-D1037 PolarHBondContact O-N 2.91Å |
| 1034 | L | 90.7 | Very high | 91.3 | Very high | 81 Ų | 81 | 26.3 Ų | 26.3 | 42% | 0.424 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.9 | -46 | -178 | 177.4 | 68.2 | 0 | 0 | 0 | 111.3 | M1032 A1038 L1093 | M1032-L1034 PolarHBondContact O-N 3.26Å; L1034-A1038 VanDerWaalsContact O-CB 3.3Å; L1034-A1038 WeakPolarHBondContact O-CB 3.41Å; L1034-A1038 PolarHBondContact O-N 3.35Å; L1034-L1093 HydrophobicContact CD1-CD1 4.49Å; L1034-L1093 HydrophobicContact CD1-CD2 4.28Å |
| 1035 | E | 94.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 2% | 0.023 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.4 | -51.4 | 179.4 | -68.2 | 76.4 | -176.8 | 0 | 0 | 110.1 | F989 K990 W993 A1027 M1032 D1037 A1038 Y1039 | F989-E1035 HydrophobicContact CE1-CB 4.09Å; F989-E1035 HydrophobicContact CE1-CG 4.27Å; K990-E1035 VanDerWaalsContact CD-OE1 3.22Å; K990-E1035 WeakPolarHBondContact CD-OE1 3.33Å; K990-E1035 WeakPolarHBondContact CE-OE1 3.27Å; K990-E1035 IonicContact NZ-OE1 3.76Å; K990-E1035 PolarHBondContact NZ-OE1 3.21Å; W993-E1035 HydrophobicContact CB-CG 4.44Å; W993-E1035 HydrophobicContact CD2-CB 4.43Å; W993-E1035 HydrophobicContact CD2-CG 3.66Å; W993-E1035 HydrophobicContact CE3-CG 4.23Å; W993-E1035 HydrophobicContact CG-CG 3.74Å; W993-E1035 HydrophobicContact CZ2-CG 4.31Å; A1027-E1035 HydrophobicContact CB-CB 4.09Å; M1032-E1035 HydrophobicContact CB-CB 4.17Å; M1032-E1035 HydrophobicContact CB-CG 4.37Å; M1032-E1035 WeakPolarHBondContact CB-OE2 3.44Å; M1032-E1035 HydrophobicContact CE-CG 4.03Å; M1032-E1035 PolarHBondContact O-N 3.01Å; E1035-D1037 PolarHBondContact O-N 2.92Å; E1035-A1038 PolarHBondContact O-N 3.42Å; E1035-Y1039 VanDerWaalsContact O-CD2 3.27Å; E1035-Y1039 WeakPolarHBondContact O-CD2 3.4Å; E1035-Y1039 PolarHBondContact O-N 2.81Å |
| 1036 | R | 94 | Very high | 90.6 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 5% | 0.045 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -53.5 | -52.6 | 177.2 | -179.5 | -162.6 | 71.3 | -153.1 | -10.9 | 111.1 | A1027 M1032 A1038 Y1039 V1040 Y1136 L1137 | A1027-R1036 HydrophobicContact CB-CB 3.81Å; M1032-R1036 WeakPolarHBondContact O-CB 3.11Å; M1032-R1036 PolarHBondContact O-N 3.44Å; R1036-A1038 VanDerWaalsContact C-N 3.33Å; R1036-A1038 PolarHBondContact O-N 2.71Å; R1036-Y1039 PolarHBondContact O-N 3.45Å; R1036-V1040 WeakPolarHBondContact O-CG2 3.49Å; R1036-V1040 PolarHBondContact O-N 2.94Å; R1036-Y1136 WeakPolarHBondContact CD-O 3.29Å; R1036-Y1136 PolarHBondContact NH1-O 3.04Å; R1036-L1137 PolarHBondContact NE-O 3.49Å; R1036-L1137 PolarHBondContact NH1-O 2.71Å; R1036-L1137 PolarHBondContact NH2-O 3.38Å |
| 1037 | D | 90.4 | Very high | 90.2 | Very high | 46 Ų | 46 | 30.9 Ų | 30.9 | 25% | 0.246 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.2 | -38.3 | -176.4 | -67.9 | -2.6 | 0 | 0 | 0 | 110.9 | E1033 E1035 Q1041 | E1033-D1037 VanDerWaalsContact O-CB 3.28Å; E1033-D1037 WeakPolarHBondContact O-CB 3.33Å; E1033-D1037 PolarHBondContact O-N 2.91Å; E1035-D1037 PolarHBondContact O-N 2.92Å; D1037-Q1041 WeakPolarHBondContact O-CB 3.26Å; D1037-Q1041 PolarHBondContact O-N 3.36Å |
| 1038 | A | 92.1 | Very high | 89.7 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 5% | 0.05 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | W993 L997 L1034 E1035 R1036 A1042 | W993-A1038 HydrophobicContact CH2-CB 4.45Å; W993-A1038 HydrophobicContact CZ3-CB 3.96Å; L997-A1038 HydrophobicContact CD2-CB 4.21Å; L1034-A1038 VanDerWaalsContact O-CB 3.3Å; L1034-A1038 WeakPolarHBondContact O-CB 3.41Å; L1034-A1038 PolarHBondContact O-N 3.35Å; E1035-A1038 PolarHBondContact O-N 3.42Å; R1036-A1038 VanDerWaalsContact C-N 3.33Å; R1036-A1038 PolarHBondContact O-N 2.71Å; A1038-A1042 WeakPolarHBondContact O-CB 3.04Å; A1038-A1042 PolarHBondContact O-N 3.06Å |
| 1039 | Y | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 176.8 | -85.6 | -79.5 | 0 | 0 | 0 | 112.4 | F989 W993 F996 L997 F1000 I1020 A1023 I1024 E1035 R1036 A1042 L1043 | F989-Y1039 AromaticContact CZ-CE2 3.84Å; F989-Y1039 HydrophobicContact CZ-CE2 3.84Å; W993-Y1039 HydrophobicContact CB-CE2 4.18Å; W993-Y1039 HydrophobicContact CE3-CE2 4.03Å; W993-Y1039 PolarHBondContact O-OH 3.27Å; F996-Y1039 VanDerWaalsContact CB-OH 3.3Å; F996-Y1039 WeakPolarHBondContact CB-OH 3.22Å; L997-Y1039 HydrophobicContact CB-CE1 3.89Å; L997-Y1039 HydrophobicContact CB-CE2 4.35Å; L997-Y1039 HydrophobicContact CD1-CD1 3.59Å; L997-Y1039 HydrophobicContact CD1-CE1 3.67Å; L997-Y1039 HydrophobicContact CD1-CG 4.15Å; L997-Y1039 HydrophobicContact CG-CE1 4.36Å; L997-Y1039 PolarHBondContact N-OH 2.95Å; L997-Y1039 VanDerWaalsContact N-OH 3.12Å; F1000-Y1039 HydrophobicContact CD2-CE1 4.36Å; I1020-Y1039 HydrophobicContact CB-CD1 4.33Å; I1020-Y1039 HydrophobicContact CG1-CD1 4.1Å; I1020-Y1039 HydrophobicContact CG1-CE1 4.34Å; I1020-Y1039 HydrophobicContact CG2-CD1 4.03Å; A1023-Y1039 HydrophobicContact CB-CD1 3.85Å; A1023-Y1039 HydrophobicContact CB-CD2 4.02Å; A1023-Y1039 HydrophobicContact CB-CE1 3.5Å; A1023-Y1039 VanDerWaalsContact CB-CE1 3.5Å; A1023-Y1039 HydrophobicContact CB-CE2 3.72Å; A1023-Y1039 HydrophobicContact CB-CG 4.1Å; A1023-Y1039 VanDerWaalsContact CB-CZ 3.44Å; I1024-Y1039 HydrophobicContact CG1-CG 4.38Å; E1035-Y1039 VanDerWaalsContact O-CD2 3.27Å; E1035-Y1039 WeakPolarHBondContact O-CD2 3.4Å; E1035-Y1039 PolarHBondContact O-N 2.81Å; R1036-Y1039 PolarHBondContact O-N 3.45Å; Y1039-A1042 PolarHBondContact O-N 3.48Å; Y1039-L1043 WeakPolarHBondContact O-CB 3.17Å; Y1039-L1043 PolarHBondContact O-N 3.25Å |
| 1040 | V | 93 | Very high | 88.4 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 177 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | I1024 R1036 A1042 L1043 A1044 L1126 L1137 A1140 I1144 | I1024-V1040 HydrophobicContact CD1-CG2 3.87Å; I1024-V1040 HydrophobicContact CG1-CG2 4.15Å; I1024-V1040 HydrophobicContact CG2-CG2 4.23Å; R1036-V1040 WeakPolarHBondContact O-CG2 3.49Å; R1036-V1040 PolarHBondContact O-N 2.94Å; V1040-A1042 PolarHBondContact O-N 3.47Å; V1040-L1043 PolarHBondContact O-N 2.68Å; V1040-A1044 VanDerWaalsContact O-CB 3.27Å; V1040-A1044 WeakPolarHBondContact O-CB 3.4Å; V1040-A1044 PolarHBondContact O-N 2.93Å; V1040-L1126 HydrophobicContact CG1-CD1 4.26Å; V1040-L1137 HydrophobicContact CG2-CD2 4.28Å; V1040-A1140 HydrophobicContact CB-CB 3.98Å; V1040-A1140 HydrophobicContact CG1-CB 3.91Å; V1040-A1140 HydrophobicContact CG2-CB 4.01Å; V1040-I1144 HydrophobicContact CG1-CD1 4.01Å; V1040-I1144 HydrophobicContact CG1-CG1 3.84Å |
| 1041 | Q | 89.3 | Confident | 86.7 | Confident | 40 Ų | 40 | 36.7 Ų | 36.7 | 19% | 0.187 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 176.1 | -175.2 | 70.2 | 64.8 | 0 | 0 | 112 | D1037 A1044 R1045 E1143 | D1037-Q1041 WeakPolarHBondContact O-CB 3.26Å; D1037-Q1041 PolarHBondContact O-N 3.36Å; Q1041-A1044 PolarHBondContact O-N 3.41Å; Q1041-R1045 WeakPolarHBondContact O-CG 3.33Å; Q1041-R1045 PolarHBondContact O-N 3.43Å; Q1041-E1143 PolarHBondContact NE2-OE2 2.98Å; Q1041-E1143 VanDerWaalsContact OE1-CG 3.27Å; Q1041-E1143 PolarHBondContact OE1-OE2 3.33Å |
| 1042 | A | 87.7 | Confident | 84.6 | Confident | 12 Ų | 12 | 34.6 Ų | 34.6 | 10% | 0.099 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -47.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L997 A1038 Y1039 V1040 A1044 R1045 F1046 | L997-A1042 HydrophobicContact CD1-CB 3.84Å; A1038-A1042 WeakPolarHBondContact O-CB 3.04Å; A1038-A1042 PolarHBondContact O-N 3.06Å; Y1039-A1042 PolarHBondContact O-N 3.48Å; V1040-A1042 PolarHBondContact O-N 3.47Å; A1042-A1044 PolarHBondContact O-N 3.03Å; A1042-R1045 PolarHBondContact O-N 3.23Å; A1042-F1046 WeakPolarHBondContact O-CD2 3.37Å; A1042-F1046 PolarHBondContact O-N 2.99Å |
| 1043 | L | 90.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 177.1 | -166.2 | 69.6 | 0 | 0 | 0 | 111.4 | L1017 I1020 I1024 Y1039 V1040 R1045 F1046 T1047 T1122 T1125 L1126 | L1017-L1043 HydrophobicContact CD2-CD1 3.67Å; I1020-L1043 HydrophobicContact CD1-CD1 4.46Å; I1020-L1043 HydrophobicContact CG2-CB 4.31Å; I1020-L1043 HydrophobicContact CG2-CD1 4.01Å; I1020-L1043 HydrophobicContact CG2-CD2 4.39Å; I1020-L1043 HydrophobicContact CG2-CG 4.49Å; I1024-L1043 HydrophobicContact CD1-CD2 4.21Å; Y1039-L1043 WeakPolarHBondContact O-CB 3.17Å; Y1039-L1043 PolarHBondContact O-N 3.25Å; V1040-L1043 PolarHBondContact O-N 2.68Å; L1043-R1045 PolarHBondContact O-N 2.94Å; L1043-F1046 PolarHBondContact O-N 3.25Å; L1043-T1047 PolarHBondContact O-N 2.77Å; L1043-T1122 HydrophobicContact CD1-CG2 3.6Å; L1043-T1122 HydrophobicContact CG-CG2 3.97Å; L1043-T1122 WeakPolarHBondContact O-CG2 3.42Å; L1043-T1125 HydrophobicContact CD1-CG2 4.26Å; L1043-T1125 HydrophobicContact CD2-CG2 4.18Å; L1043-L1126 HydrophobicContact CB-CD1 4.32Å; L1043-L1126 HydrophobicContact CD2-CB 3.96Å; L1043-L1126 HydrophobicContact CD2-CD1 3.67Å; L1043-L1126 HydrophobicContact CD2-CG 4.45Å; L1043-L1126 HydrophobicContact CG-CB 4.35Å; L1043-L1126 HydrophobicContact CG-CD1 4.06Å |
| 1044 | A | 87.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1040 Q1041 A1042 T1047 L1050 E1143 | V1040-A1044 VanDerWaalsContact O-CB 3.27Å; V1040-A1044 WeakPolarHBondContact O-CB 3.4Å; V1040-A1044 PolarHBondContact O-N 2.93Å; Q1041-A1044 PolarHBondContact O-N 3.41Å; A1042-A1044 PolarHBondContact O-N 3.03Å; A1044-T1047 WeakPolarHBondContact O-CB 3.5Å; A1044-T1047 PolarHBondContact O-N 3.21Å; A1044-T1047 PolarHBondContact O-OG1 2.74Å; A1044-L1050 HydrophobicContact CB-CD1 3.73Å; A1044-E1143 HydrophobicContact CB-CB 4.16Å |
| 1045 | R | 84.6 | Confident | 76.1 | Confident | 105 Ų | 105 | 39.8 Ų | 39.8 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 175 | -76.2 | 179 | 174.4 | -179.5 | -0.3 | 112.9 | Q1041 A1042 L1043 T1047 L1048 | Q1041-R1045 WeakPolarHBondContact O-CG 3.33Å; Q1041-R1045 PolarHBondContact O-N 3.43Å; A1042-R1045 PolarHBondContact O-N 3.23Å; L1043-R1045 PolarHBondContact O-N 2.94Å; R1045-T1047 PolarHBondContact O-N 3.33Å; R1045-L1048 PolarHBondContact O-N 3.06Å |
| 1046 | F | 87.9 | Confident | 72.8 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.1 | -8.7 | 177.2 | -76.9 | -63.7 | 0 | 0 | 0 | 113.9 | S1001 L1004 Q1005 A1042 L1043 L1048 N1119 T1122 | S1001-F1046 VanDerWaalsContact O-CZ 3.28Å; S1001-F1046 WeakPolarHBondContact O-CZ 3.34Å; L1004-F1046 HydrophobicContact CB-CD1 4Å; L1004-F1046 HydrophobicContact CB-CD2 4.46Å; L1004-F1046 HydrophobicContact CB-CE1 3.85Å; L1004-F1046 HydrophobicContact CB-CE2 4.34Å; L1004-F1046 HydrophobicContact CB-CG 4.33Å; L1004-F1046 HydrophobicContact CB-CZ 4.04Å; L1004-F1046 HydrophobicContact CD1-CD2 3.91Å; L1004-F1046 HydrophobicContact CD1-CE2 4.2Å; L1004-F1046 HydrophobicContact CD1-CG 4.21Å; Q1005-F1046 HydrophobicContact CB-CE1 4.21Å; A1042-F1046 WeakPolarHBondContact O-CD2 3.37Å; A1042-F1046 PolarHBondContact O-N 2.99Å; L1043-F1046 PolarHBondContact O-N 3.25Å; F1046-L1048 PolarHBondContact O-N 3.15Å; F1046-N1119 PolarHBondContact O-ND2 2.96Å; F1046-T1122 HydrophobicContact CB-CG2 3.82Å |
| 1047 | T | 84.7 | Confident | 69.6 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.5 | 166.9 | 72.2 | 0 | 0 | 0 | 0 | 112.6 | L1043 A1044 R1045 L1049 T1122 I1123 L1126 | L1043-T1047 PolarHBondContact O-N 2.77Å; A1044-T1047 WeakPolarHBondContact O-CB 3.5Å; A1044-T1047 PolarHBondContact O-N 3.21Å; A1044-T1047 PolarHBondContact O-OG1 2.74Å; R1045-T1047 PolarHBondContact O-N 3.33Å; T1047-L1049 PolarHBondContact O-N 2.87Å; T1047-L1049 VanDerWaalsContact O-N 3.14Å; T1047-L1049 WeakPolarHBondContact OG1-CB 3.43Å; T1047-L1049 PolarHBondContact OG1-N 2.74Å; T1047-T1122 HydrophobicContact CG2-CG2 3.9Å; T1047-I1123 HydrophobicContact CG2-CG1 3.79Å; T1047-L1126 HydrophobicContact CG2-CD2 4.15Å |
| 1048 | L | 81.7 | Confident | 66.5 | Low | 43 Ų | 43 | 55.2 Ų | 55.2 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 62.5 | -2.3 | -169 | -59.6 | 174.5 | 0 | 0 | 0 | 115.4 | R1045 F1046 L1050 T1051 | R1045-L1048 PolarHBondContact O-N 3.06Å; F1046-L1048 PolarHBondContact O-N 3.15Å; L1048-L1050 VanDerWaalsContact C-N 3.34Å; L1048-L1050 PolarHBondContact O-N 3.48Å; L1048-T1051 HydrophobicContact CD2-CG2 4.18Å; L1048-T1051 PolarHBondContact O-OG1 3.31Å |
| 1049 | L | 77.9 | Confident | 63.2 | Low | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -25.9 | -177.7 | -63.3 | 172.4 | 0 | 0 | 0 | 113.6 | T1047 I1123 C1147 Q1150 L1151 | T1047-L1049 PolarHBondContact O-N 2.87Å; T1047-L1049 VanDerWaalsContact O-N 3.14Å; T1047-L1049 WeakPolarHBondContact OG1-CB 3.43Å; T1047-L1049 PolarHBondContact OG1-N 2.74Å; L1049-I1123 HydrophobicContact CD1-CD1 3.97Å; L1049-I1123 HydrophobicContact CD1-CG1 4.16Å; L1049-C1147 HydrophobicContact CD1-CB 4.46Å; L1049-C1147 WeakPolarHBondContact CD1-O 3.31Å; L1049-Q1150 HydrophobicContact CB-CB 3.94Å; L1049-L1151 HydrophobicContact CD1-CB 3.9Å; L1049-L1151 HydrophobicContact CD1-CD1 4.38Å |
| 1050 | L | 73.5 | Confident | 59.8 | Low | 13 Ų | 13 | 69.2 Ų | 69.2 | 7% | 0.068 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.7 | -177.9 | -58.6 | -178.1 | 0 | 0 | 0 | 114.1 | A1044 L1048 T1052 S1053 E1143 R1146 C1147 Q1150 | A1044-L1050 HydrophobicContact CB-CD1 3.73Å; L1048-L1050 VanDerWaalsContact C-N 3.34Å; L1048-L1050 PolarHBondContact O-N 3.48Å; L1050-T1052 PolarHBondContact O-N 2.99Å; L1050-T1052 VanDerWaalsContact O-N 3.13Å; L1050-S1053 PolarHBondContact O-N 3.42Å; L1050-S1053 PolarHBondContact O-OG 3.03Å; L1050-E1143 VanDerWaalsContact CD1-OE2 3.26Å; L1050-E1143 WeakPolarHBondContact CD1-OE2 3.24Å; L1050-R1146 HydrophobicContact CD2-CB 3.63Å; L1050-C1147 VanDerWaalsContact CD1-SG 3.59Å; L1050-Q1150 HydrophobicContact CD2-CG 4.37Å |
| 1051 | T | 54.8 | Low | 56.4 | Low | 80 Ų | 80 | 74.7 Ų | 74.7 | 49% | 0.491 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.7 | -172.3 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | L1048 | L1048-T1051 HydrophobicContact CD2-CG2 4.18Å; L1048-T1051 PolarHBondContact O-OG1 3.31Å |
| 1052 | T | 43.6 | Very low | 53.2 | Low | 91 Ų | 91 | 75.8 Ų | 75.8 | 56% | 0.558 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -7.6 | -179 | 51.1 | 0 | 0 | 0 | 0 | 114.8 | L1050 | L1050-T1052 PolarHBondContact O-N 2.99Å; L1050-T1052 VanDerWaalsContact O-N 3.13Å |
| 1053 | S | 38.7 | Very low | 50.1 | Low | 73 Ų | 73 | 83.3 Ų | 83.3 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -106.9 | -7.3 | -168.2 | 57.4 | 0 | 0 | 0 | 0 | 116.9 | L1050 V1055 | L1050-S1053 PolarHBondContact O-N 3.42Å; L1050-S1053 PolarHBondContact O-OG 3.03Å; S1053-V1055 PolarHBondContact O-N 3.4Å |
| 1054 | H | 29.7 | Very low | 46.8 | Very low | 134 Ų | 134 | 88.7 Ų | 88.7 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | trans | -101.1 | 73.6 | 179.5 | -84.1 | -79 | 0 | 0 | 0 | 113 | ||||
| 1055 | V | 26.8 | Very low | 43.7 | Very low | 111 Ų | 111 | 93.8 Ų | 93.8 | 67% | 0.673 | 56% | 0.559 | S | S | * | * | trans | -110.3 | 104.3 | 155.7 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | S1053 P1236 | S1053-V1055 PolarHBondContact O-N 3.4Å; V1055-P1236 HydrophobicContact CG2-CG 4.48Å | ||
| 1056 | N | 24.5 | Very low | 40.7 | Very low | 133 Ų | 133 | 92.5 Ų | 92.5 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | trans | -53.8 | 128.7 | 173.8 | -82.4 | -24.4 | 0 | 0 | 0 | 109.7 | T1058 | N1056-T1058 PolarHBondContact O-N 3.01Š| ||
| 1057 | P | 25.8 | Very low | 37.6 | Very low | 124 Ų | 124 | 98.1 Ų | 98.1 | 81% | 0.805 | 61% | 0.609 | S | S | * | * | trans | -67.6 | 103.9 | 175 | 26.6 | -30 | 0 | 0 | 0 | 108.2 | I1059 | P1057-I1059 PolarHBondContact O-N 2.62Å; P1057-I1059 VanDerWaalsContact O-N 3.15Å | ||
| 1058 | T | 25.4 | Very low | 34.6 | Very low | 130 Ų | 130 | 105.1 Ų | 105.1 | 80% | 0.798 | 65% | 0.646 | S | S | * | * | trans | -59.6 | 116.7 | 173.7 | 31.6 | 0 | 0 | 0 | 0 | 109.8 | N1056 T1060 | N1056-T1058 PolarHBondContact O-N 3.01Å; T1058-T1060 PolarHBondContact O-N 3.19Å | ||
| 1059 | I | 23.9 | Very low | 31.8 | Very low | 167 Ų | 167 | 107.1 Ų | 107.1 | 86% | 0.856 | 68% | 0.677 | S | S | * | * | trans | -28.9 | 98.8 | 165.4 | -57.8 | 166.3 | 0 | 0 | 0 | 110.9 | P1057 S1061 | P1057-I1059 PolarHBondContact O-N 2.62Å; P1057-I1059 VanDerWaalsContact O-N 3.15Å; I1059-S1061 PolarHBondContact O-N 3.25Å | ||
| 1060 | T | 23.2 | Very low | 29.1 | Very low | 134 Ų | 134 | 110.3 Ų | 110.3 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | trans | -80.1 | 106.4 | 157.7 | 49.3 | 0 | 0 | 0 | 0 | 107.1 | T1058 G1062 | T1058-T1060 PolarHBondContact O-N 3.19Å; T1060-G1062 PolarHBondContact O-N 2.87Å | ||
| 1061 | S | 22.2 | Very low | 26.7 | Very low | 115 Ų | 115 | 117.3 Ų | 117.3 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -36 | 99.2 | 168.3 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | I1059 | I1059-S1061 PolarHBondContact O-N 3.25Š| ||
| 1062 | G | 21.5 | Very low | 25.1 | Very low | 63 Ų | 63 | 119.9 Ų | 119.9 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | -118.7 | 105 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | T1060 S1064 | T1060-G1062 PolarHBondContact O-N 2.87Å; G1062-S1064 PolarHBondContact O-N 3.47Å | ||
| 1063 | N | 22.5 | Very low | 24.3 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | trans | -55.9 | 103.6 | 171.1 | -74.8 | -14.9 | 0 | 0 | 0 | 109.8 | ||||
| 1064 | S | 22.6 | Very low | 23.5 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -117.4 | 98.7 | 162.3 | 63.7 | 0 | 0 | 0 | 0 | 108.6 | G1062 G1066 | G1062-S1064 PolarHBondContact O-N 3.47Å; S1064-G1066 PolarHBondContact O-N 3.12Å | ||
| 1065 | S | 22.6 | Very low | 23.3 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -41.2 | 113 | 171.9 | -46.8 | 0 | 0 | 0 | 0 | 111.8 | I1067 | S1065-I1067 PolarHBondContact O-N 3Š| ||
| 1066 | G | 22.2 | Very low | 23.1 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -66.1 | 110.2 | 167 | 0 | 0 | 0 | 0 | 0 | 109.5 | S1064 | S1064-G1066 PolarHBondContact O-N 3.12Š| ||
| 1067 | I | 22 | Very low | 23 | Very low | 157 Ų | 157 | 129 Ų | 129 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -103.2 | 119.1 | 166.9 | -66.5 | 179.9 | 0 | 0 | 0 | 107.6 | S1065 G1069 | S1065-I1067 PolarHBondContact O-N 3Å; I1067-G1069 PolarHBondContact O-N 2.71Å | ||
| 1068 | N | 22.3 | Very low | 22.9 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -44.7 | 116.5 | 177.3 | -69.1 | -35.6 | 0 | 0 | 0 | 113.5 | ||||
| 1069 | G | 22.7 | Very low | 22.6 | Very low | 84 Ų | 84 | 140 Ų | 140 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -103.3 | 76.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1067 | I1067-G1069 PolarHBondContact O-N 2.71Š| ||
| 1070 | S | 19.7 | Very low | 22.6 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -101.1 | 118.6 | 167.8 | -55.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1071 | N | 23.8 | Very low | 22.5 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -177.9 | 100.7 | 137.7 | -92.2 | -18.5 | 0 | 0 | 0 | 112.1 | ||||
| 1072 | N | 22.1 | Very low | 22.5 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | 10.2 | 115.8 | 135 | -67.5 | -21 | 0 | 0 | 0 | 118 | ||||
| 1073 | Q | 25.7 | Very low | 22.6 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | -140.6 | 102.1 | 129.7 | -72.5 | -161.9 | -9.8 | 0 | 0 | 109.6 | I1075 | Q1073-I1075 PolarHBondContact O-N 2.82Š| |||
| 1074 | N | 23.2 | Very low | 22.5 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 69% | 0.69 | 81% | 0.808 | S | S | * | * | trans | -68.7 | 116.7 | 173.2 | -81.3 | -33 | 0 | 0 | 0 | 110.3 | ||||
| 1075 | I | 24.9 | Very low | 22.6 | Very low | 169 Ų | 169 | 152 Ų | 152 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -117.1 | 95.9 | 154.7 | -61.9 | 178.9 | 0 | 0 | 0 | 106.8 | Q1073 | Q1073-I1075 PolarHBondContact O-N 2.82Š| ||
| 1076 | N | 22.3 | Very low | 22.6 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -82.7 | 133.2 | 173.2 | -78.7 | -44.4 | 0 | 0 | 0 | 109.9 | ||||
| 1077 | S | 22.8 | Very low | 22.7 | Very low | 102 Ų | 102 | 154.6 Ų | 154.6 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | 171.8 | 97 | 121.6 | -166.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1078 | R | 22.4 | Very low | 22.8 | Very low | 244 Ų | 244 | 152.5 Ų | 152.5 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | 91.1 | 86.5 | 111.1 | -74.9 | -178.2 | 177.7 | -174 | -0 | 115.8 | |||||
| 1079 | R | 20.8 | Very low | 23 | Very low | 242 Ų | 242 | 148.4 Ų | 148.4 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | trans | -97.5 | 147.8 | 150.6 | -128.9 | -178.8 | 176.5 | 173.3 | -0.5 | 108.1 | ||||
| 1080 | P | 23.9 | Very low | 23.1 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -77.5 | 156.8 | -163.3 | 31.3 | -30.1 | 0 | 0 | 0 | 113.1 | S1082 | P1080-S1082 PolarHBondContact O-N 3.06Å; P1080-S1082 VanDerWaalsContact O-N 3.13Å | ||
| 1081 | R | 20.8 | Very low | 23.3 | Very low | 247 Ų | 247 | 148.3 Ų | 148.3 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | trans | -68.8 | 89.3 | -164 | -164 | 176.5 | -172.3 | 164.8 | -1.9 | 111.7 | ||||
| 1082 | S | 22.5 | Very low | 23.5 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | trans | -75.4 | 121 | 159.5 | 58 | 0 | 0 | 0 | 0 | 108.6 | P1080 K1084 | P1080-S1082 PolarHBondContact O-N 3.06Å; P1080-S1082 VanDerWaalsContact O-N 3.13Å; S1082-K1084 PolarHBondContact O-N 3.43Å | ||
| 1083 | E | 21.7 | Very low | 23.8 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | trans | -49.7 | 126.5 | 178.2 | -70.6 | 173.7 | 149.9 | 0 | 0 | 111.2 | I1085 | E1083-I1085 VanDerWaalsContact C-N 3.33Å; E1083-I1085 PolarHBondContact O-N 3.33Å | ||
| 1084 | K | 22 | Very low | 23.9 | Very low | 207 Ų | 207 | 135.8 Ų | 135.8 | 90% | 0.9 | 71% | 0.71 | S | S | * | * | trans | -67.8 | 93.6 | 174.7 | -76.1 | 179.8 | 175.1 | 179.8 | 0 | 108.3 | S1082 N1086 | S1082-K1084 PolarHBondContact O-N 3.43Å; K1084-N1086 PolarHBondContact O-N 2.85Å; K1084-N1086 VanDerWaalsContact O-N 3.14Å | ||
| 1085 | I | 23.9 | Very low | 24.1 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 77% | 0.774 | 70% | 0.703 | S | S | * | * | trans | -60 | 114.6 | 158.9 | -63.6 | 173.8 | 0 | 0 | 0 | 106.7 | E1083 T1087 | E1083-I1085 VanDerWaalsContact C-N 3.33Å; E1083-I1085 PolarHBondContact O-N 3.33Å; I1085-T1087 PolarHBondContact O-N 3.43Å; I1085-T1087 VanDerWaalsContact O-N 3.11Å | ||
| 1086 | N | 23.4 | Very low | 24.3 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | trans | -58.8 | 109 | 179.3 | -160.1 | -0.2 | 0 | 0 | 0 | 109 | K1084 N1088 | K1084-N1086 PolarHBondContact O-N 2.85Å; K1084-N1086 VanDerWaalsContact O-N 3.14Å; N1086-N1088 PolarHBondContact O-N 3.17Å | ||
| 1087 | T | 24.3 | Very low | 24.7 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 73% | 0.73 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 16 | -173.5 | 45.7 | 0 | 0 | 0 | 0 | 115.1 | I1085 A1089 | I1085-T1087 PolarHBondContact O-N 3.43Å; I1085-T1087 VanDerWaalsContact O-N 3.11Å; T1087-A1089 VanDerWaalsContact C-N 3.27Å; T1087-A1089 PolarHBondContact O-N 2.9Å |
| 1088 | N | 24.2 | Very low | 25.1 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 3.4 | 176.1 | -72.7 | -13.2 | 0 | 0 | 0 | 113.9 | N1086 S1090 S1091 | N1086-N1088 PolarHBondContact O-N 3.17Å; N1088-S1090 VanDerWaalsContact C-N 3.29Å; N1088-S1090 PolarHBondContact O-N 3.33Å; N1088-S1091 PolarHBondContact O-OG 3.46Å; N1088-S1091 VanDerWaalsContact O-OG 3.1Å |
| 1089 | A | 26 | Very low | 25.5 | Very low | 60 Ų | 60 | 119.7 Ų | 119.7 | 50% | 0.496 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72.5 | -16.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1087 S1091 T1092 L1093 | T1087-A1089 VanDerWaalsContact C-N 3.27Å; T1087-A1089 PolarHBondContact O-N 2.9Å; A1089-S1091 VanDerWaalsContact C-N 3.31Å; A1089-S1091 PolarHBondContact O-N 2.95Å; A1089-T1092 PolarHBondContact O-N 3.42Å; A1089-L1093 PolarHBondContact O-N 3.32Å |
| 1090 | S | 24.8 | Very low | 26.1 | Very low | 95 Ų | 95 | 110.6 Ų | 110.6 | 66% | 0.664 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71 | -24.3 | 177.7 | -62 | 0 | 0 | 0 | 0 | 113.2 | N1088 | N1088-S1090 VanDerWaalsContact C-N 3.29Å; N1088-S1090 PolarHBondContact O-N 3.33Å |
| 1091 | S | 24.4 | Very low | 26.3 | Very low | 80 Ų | 80 | 109.1 Ų | 109.1 | 56% | 0.559 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -82.2 | -27.5 | 177.8 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | N1088 A1089 | N1088-S1091 PolarHBondContact O-OG 3.46Å; N1088-S1091 VanDerWaalsContact O-OG 3.1Å; A1089-S1091 VanDerWaalsContact C-N 3.31Å; A1089-S1091 PolarHBondContact O-N 2.95Å |
| 1092 | T | 27.3 | Very low | 26.5 | Very low | 92 Ų | 92 | 100 Ų | 100 | 56% | 0.564 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.8 | -31.7 | 174.1 | -24 | 0 | 0 | 0 | 0 | 111.9 | A1089 S1094 N1095 A1096 | A1089-T1092 PolarHBondContact O-N 3.42Å; T1092-S1094 VanDerWaalsContact C-N 3.29Å; T1092-S1094 PolarHBondContact O-N 2.82Å; T1092-N1095 PolarHBondContact O-N 3.27Å; T1092-A1096 PolarHBondContact O-N 3.49Å |
| 1093 | L | 28.2 | Very low | 26.6 | Very low | 64 Ų | 64 | 98.2 Ų | 98.2 | 34% | 0.335 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.7 | -35 | 174.1 | -104.1 | 141.6 | 0 | 0 | 0 | 112.7 | L1034 A1089 N1095 Y1097 | L1034-L1093 HydrophobicContact CD1-CD1 4.49Å; L1034-L1093 HydrophobicContact CD1-CD2 4.28Å; A1089-L1093 PolarHBondContact O-N 3.32Å; L1093-N1095 VanDerWaalsContact C-N 3.33Å; L1093-N1095 PolarHBondContact O-N 2.99Å; L1093-Y1097 HydrophobicContact CD2-CD2 4.46Å; L1093-Y1097 WeakPolarHBondContact O-CB 3.29Å; L1093-Y1097 PolarHBondContact O-N 3.16Å; L1093-Y1097 VanDerWaalsContact O-N 3.09Å |
| 1094 | S | 27.1 | Very low | 26.7 | Very low | 67 Ų | 67 | 96.4 Ų | 96.4 | 47% | 0.469 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.2 | -36.8 | 173 | -168.7 | 0 | 0 | 0 | 0 | 111.8 | T1092 T1098 | T1092-S1094 VanDerWaalsContact C-N 3.29Å; T1092-S1094 PolarHBondContact O-N 2.82Å; S1094-T1098 VanDerWaalsContact O-CB 3.24Å; S1094-T1098 WeakPolarHBondContact O-CB 3.24Å; S1094-T1098 WeakPolarHBondContact O-CG2 3.27Å; S1094-T1098 PolarHBondContact O-N 3.31Å; S1094-T1098 PolarHBondContact O-OG1 3.41Å |
| 1095 | N | 27.6 | Very low | 27 | Very low | 100 Ų | 100 | 92.2 Ų | 92.2 | 54% | 0.535 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.3 | -34.5 | -179 | -72.8 | -8.9 | 0 | 0 | 0 | 113.1 | T1092 L1093 T1098 N1099 | T1092-N1095 PolarHBondContact O-N 3.27Å; L1093-N1095 VanDerWaalsContact C-N 3.33Å; L1093-N1095 PolarHBondContact O-N 2.99Å; N1095-T1098 WeakPolarHBondContact CA-OG1 3.4Å; N1095-T1098 PolarHBondContact O-OG1 2.87Å; N1095-N1099 VanDerWaalsContact O-CB 3.25Å; N1095-N1099 WeakPolarHBondContact O-CB 3.39Å; N1095-N1099 PolarHBondContact O-N 3.09Å; N1095-N1099 PolarHBondContact O-ND2 2.88Å |
| 1096 | A | 30 | Very low | 27.1 | Very low | 66 Ų | 66 | 91.5 Ų | 91.5 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.9 | -40.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | T1092 A1100 | T1092-A1096 PolarHBondContact O-N 3.49Å; A1096-A1100 PolarHBondContact O-N 3.41Å |
| 1097 | Y | 31.1 | Very low | 27.5 | Very low | 78 Ų | 78 | 91.4 Ų | 91.4 | 31% | 0.306 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67 | -39.9 | 174.1 | -108.6 | -91 | 0 | 0 | 0 | 112.7 | L1093 L1101 | L1093-Y1097 HydrophobicContact CD2-CD2 4.46Å; L1093-Y1097 WeakPolarHBondContact O-CB 3.29Å; L1093-Y1097 PolarHBondContact O-N 3.16Å; L1093-Y1097 VanDerWaalsContact O-N 3.09Å; Y1097-L1101 HydrophobicContact CD1-CD1 4.35Å; Y1097-L1101 PolarHBondContact O-N 3.23Å |
| 1098 | T | 31 | Very low | 27.7 | Very low | 72 Ų | 72 | 89.4 Ų | 89.4 | 44% | 0.442 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.5 | -33.1 | 179.5 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | S1094 N1095 L1101 G1102 | S1094-T1098 VanDerWaalsContact O-CB 3.24Å; S1094-T1098 WeakPolarHBondContact O-CB 3.24Å; S1094-T1098 WeakPolarHBondContact O-CG2 3.27Å; S1094-T1098 PolarHBondContact O-N 3.31Å; S1094-T1098 PolarHBondContact O-OG1 3.41Å; N1095-T1098 WeakPolarHBondContact CA-OG1 3.4Å; N1095-T1098 PolarHBondContact O-OG1 2.87Å; T1098-L1101 CarbonylContact O-C 3.58Å; T1098-L1101 PolarHBondContact O-N 3.16Å; T1098-G1102 WeakPolarHBondContact O-CA 3.38Å; T1098-G1102 PolarHBondContact O-N 3.4Å |
| 1099 | N | 30.8 | Very low | 28.1 | Very low | 131 Ų | 131 | 90.1 Ų | 90.1 | 70% | 0.701 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.3 | -31.9 | 174.6 | -74.3 | -19.3 | 0 | 0 | 0 | 112.6 | N1095 | N1095-N1099 VanDerWaalsContact O-CB 3.25Å; N1095-N1099 WeakPolarHBondContact O-CB 3.39Å; N1095-N1099 PolarHBondContact O-N 3.09Å; N1095-N1099 PolarHBondContact O-ND2 2.88Å |
| 1100 | A | 33.8 | Very low | 28.6 | Very low | 51 Ų | 51 | 91.2 Ų | 91.2 | 42% | 0.421 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.1 | -26.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1096 | A1096-A1100 PolarHBondContact O-N 3.41Å |
| 1101 | L | 27.5 | Very low | 29.5 | Very low | 90 Ų | 90 | 89.4 Ų | 89.4 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.5 | 13.7 | 176.9 | -81 | 147.4 | 0 | 0 | 0 | 113.6 | Y1097 T1098 S1103 | Y1097-L1101 HydrophobicContact CD1-CD1 4.35Å; Y1097-L1101 PolarHBondContact O-N 3.23Å; T1098-L1101 CarbonylContact O-C 3.58Å; T1098-L1101 PolarHBondContact O-N 3.16Å; L1101-S1103 VanDerWaalsContact C-N 3.31Å; L1101-S1103 PolarHBondContact O-N 3.14Å |
| 1102 | G | 24.3 | Very low | 30.7 | Very low | 55 Ų | 55 | 89.1 Ų | 89.1 | 57% | 0.567 | 56% | 0.555 | S | S | * | * | trans | -73.5 | 69.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1098 | T1098-G1102 WeakPolarHBondContact O-CA 3.38Å; T1098-G1102 PolarHBondContact O-N 3.4Å | ||
| 1103 | S | 24.5 | Very low | 31.7 | Very low | 69 Ų | 69 | 89 Ų | 89 | 48% | 0.483 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -150.2 | 115.6 | 147.9 | 71.5 | 0 | 0 | 0 | 0 | 107.6 | L1101 T1105 | L1101-S1103 VanDerWaalsContact C-N 3.31Å; L1101-S1103 PolarHBondContact O-N 3.14Å; S1103-T1105 PolarHBondContact O-N 3.08Å |
| 1104 | T | 24.5 | Very low | 33.3 | Very low | 141 Ų | 141 | 87.2 Ų | 87.2 | 87% | 0.865 | 54% | 0.543 | S | S | * | . | trans | -12.9 | 95.1 | 167.8 | 38.4 | 0 | 0 | 0 | 0 | 113.2 | N1106 | T1104-N1106 PolarHBondContact O-N 2.86Š| ||
| 1105 | T | 29 | Very low | 35.4 | Very low | 119 Ų | 119 | 85.4 Ų | 85.4 | 73% | 0.73 | 53% | 0.528 | S | S | * | . | trans | -68.5 | 99.3 | 172.6 | 40.1 | 0 | 0 | 0 | 0 | 107.5 | S1103 P1107 | S1103-T1105 PolarHBondContact O-N 3.08Å; T1105-P1107 WeakPolarHBondContact O-CD 3.48Å | ||
| 1106 | N | 25.2 | Very low | 37.8 | Very low | 136 Ų | 136 | 85.1 Ų | 85.1 | 73% | 0.727 | 52% | 0.521 | S | S | * | . | trans | -50.2 | 124.9 | 155.7 | -90.2 | -32.5 | 0 | 0 | 0 | 107.1 | T1104 A1108 | T1104-N1106 PolarHBondContact O-N 2.86Å; N1106-A1108 PolarHBondContact O-N 3.17Å | ||
| 1107 | P | 31.3 | Very low | 40.2 | Very low | 122 Ų | 122 | 85.4 Ų | 85.4 | 79% | 0.792 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 27.9 | 178.7 | 28.7 | -32.7 | 0 | 0 | 0 | 113.2 | T1105 S1110 | T1105-P1107 WeakPolarHBondContact O-CD 3.48Å; P1107-S1110 PolarHBondContact O-OG 2.85Å |
| 1108 | A | 30.4 | Very low | 42.7 | Very low | 76 Ų | 76 | 82.9 Ų | 82.9 | 63% | 0.628 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | N1106 S1110 | N1106-A1108 PolarHBondContact O-N 3.17Å; A1108-S1110 VanDerWaalsContact C-N 3.31Å |
| 1109 | L | 30.5 | Very low | 45.3 | Very low | 128 Ų | 128 | 79.8 Ų | 79.8 | 67% | 0.67 | 48% | 0.483 | S | S | * | . | trans | -91.2 | 16.3 | 176.9 | -138.8 | 87.8 | 0 | 0 | 0 | 114 | ||||
| 1110 | S | 36.7 | Very low | 47.8 | Very low | 84 Ų | 84 | 73.8 Ų | 73.8 | 59% | 0.587 | 45% | 0.451 | S | S | * | . | trans | -104.7 | 12.3 | -171.9 | 52 | 0 | 0 | 0 | 0 | 114.2 | P1107 A1108 | P1107-S1110 PolarHBondContact O-OG 2.85Å; A1108-S1110 VanDerWaalsContact C-N 3.31Å | ||
| 1111 | T | 44 | Very low | 50.3 | Low | 57 Ų | 57 | 72.9 Ų | 72.9 | 35% | 0.35 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -84.3 | 135.4 | 171.6 | 55.9 | 0 | 0 | 0 | 0 | 109.8 | E1113 A1114 | T1111-E1113 PolarHBondContact O-N 3.34Å; T1111-E1113 PolarHBondContact OG1-OE2 3.48Å; T1111-A1114 WeakPolarHBondContact O-CB 3.47Å; T1111-A1114 PolarHBondContact O-N 2.91Å |
| 1112 | P | 49.8 | Very low | 53.3 | Low | 73 Ų | 73 | 68.7 Ų | 68.7 | 47% | 0.474 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -59 | -13.9 | 170.3 | 19.1 | -29.2 | 0 | 0 | 0 | 113.2 | A1114 M1115 L1252 | P1112-A1114 PolarHBondContact O-N 2.91Å; P1112-M1115 PolarHBondContact O-N 3.08Å; P1112-L1252 HydrophobicContact CB-CD1 3.35Å; P1112-L1252 HydrophobicContact CB-CG 4.1Å; P1112-L1252 HydrophobicContact CG-CD1 3.19Å; P1112-L1252 HydrophobicContact CG-CG 4.4Å |
| 1113 | E | 48.6 | Very low | 56.3 | Low | 90 Ų | 90 | 66.4 Ų | 66.4 | 42% | 0.421 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -57.1 | -19.8 | 164.9 | -57.7 | 159.3 | 178.5 | 0 | 0 | 113.1 | T1111 K1248 | T1111-E1113 PolarHBondContact O-N 3.34Å; T1111-E1113 PolarHBondContact OG1-OE2 3.48Å; E1113-K1248 WeakPolarHBondContact OE1-CD 3.38Å; E1113-K1248 WeakPolarHBondContact OE1-CE 3.28Å; E1113-K1248 WeakPolarHBondContact OE1-CG 3.14Å; E1113-K1248 IonicContact OE1-NZ 2.73Å; E1113-K1248 PolarHBondContact OE1-NZ 3.46Å |
| 1114 | A | 62.2 | Low | 59.4 | Low | 26 Ų | 26 | 68.2 Ų | 68.2 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -85.8 | -10.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1111 P1112 K1116 | T1111-A1114 WeakPolarHBondContact O-CB 3.47Å; T1111-A1114 PolarHBondContact O-N 2.91Å; P1112-A1114 PolarHBondContact O-N 2.91Å; A1114-K1116 PolarHBondContact O-N 3.2Å |
| 1115 | M | 70.4 | Confident | 62.6 | Low | 30 Ų | 30 | 62.5 Ų | 62.5 | 15% | 0.148 | 35% | 0.353 | C | S | . | . | trans | -74.7 | 117.2 | -177.8 | -166.7 | 173.6 | -168.7 | 0 | 0 | 110.1 | P1112 N1119 I1120 I1123 V1255 T1259 | P1112-M1115 PolarHBondContact O-N 3.08Å; M1115-N1119 HydrophobicContact CE-CB 4.32Å; M1115-N1119 HydrophobicContact CG-CB 3.95Å; M1115-I1120 HydrophobicContact CE-CG1 4.45Å; M1115-I1123 HydrophobicContact CE-CD1 3.5Å; M1115-V1255 HydrophobicContact CB-CG1 3.87Å; M1115-V1255 HydrophobicContact CG-CG1 3.72Å; M1115-V1255 HydrophobicContact SD-CG1 4.02Å; M1115-T1259 HydrophobicContact CE-CG2 4.01Å | ||
| 1116 | K | 78.2 | Confident | 65.6 | Low | 93 Ų | 93 | 57 Ų | 57 | 40% | 0.404 | 32% | 0.319 | S | S | . | . | trans | -112.5 | 171.4 | -179 | -62.7 | -177 | -172.8 | 179.4 | 0 | 110.8 | D1008 A1114 K1118 N1119 | D1008-K1116 WeakPolarHBondContact OD1-CD 3.36Å; D1008-K1116 IonicContact OD1-NZ 3.72Å; D1008-K1116 PolarHBondContact OD1-NZ 2.87Å; D1008-K1116 IonicContact OD2-NZ 3.96Å; D1008-K1116 PolarHBondContact OD2-NZ 3.28Å; A1114-K1116 PolarHBondContact O-N 3.2Å; K1116-K1118 HydrophobicContact CB-CG 4.23Å; K1116-K1118 PolarHBondContact O-N 3.49Å; K1116-K1118 VanDerWaalsContact O-N 3.09Å; K1116-N1119 PolarHBondContact N-OD1 3.36Å; K1116-N1119 WeakPolarHBondContact O-CB 3.11Å; K1116-N1119 PolarHBondContact O-N 2.48Å; K1116-N1119 PolarHBondContact O-OD1 3.46Å | ||
| 1117 | Q | 79.5 | Confident | 68.7 | Low | 73 Ų | 73 | 50.9 Ų | 50.9 | 34% | 0.341 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -47.8 | -41.1 | 175.8 | -166.2 | 65 | 42.8 | 0 | 0 | 113.3 | N1119 I1120 D1121 E1258 | Q1117-N1119 VanDerWaalsContact C-N 3.25Å; Q1117-N1119 PolarHBondContact O-N 2.92Å; Q1117-I1120 WeakPolarHBondContact O-CA 3.41Å; Q1117-I1120 WeakPolarHBondContact O-CB 3.43Å; Q1117-I1120 PolarHBondContact O-N 3.26Å; Q1117-D1121 PolarHBondContact O-N 3.21Å; Q1117-E1258 PolarHBondContact NE2-OE2 3.15Å; Q1117-E1258 PolarHBondContact OE1-OE2 2.97Å |
| 1118 | K | 83.6 | Confident | 71.5 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 10% | 0.104 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.8 | -36.3 | 178.8 | 66.6 | -178.7 | 176.9 | -179.4 | 0 | 113.2 | L1004 S1007 D1008 N1013 K1116 I1120 D1121 T1122 | L1004-K1118 WeakPolarHBondContact O-CE 3.28Å; L1004-K1118 PolarHBondContact O-NZ 3.28Å; S1007-K1118 PolarHBondContact O-NZ 3.19Å; D1008-K1118 IonicContact OD1-NZ 2.71Å; N1013-K1118 HydrophobicContact CB-CB 4.13Å; N1013-K1118 WeakPolarHBondContact ND2-CB 3.14Å; K1116-K1118 HydrophobicContact CB-CG 4.23Å; K1116-K1118 PolarHBondContact O-N 3.49Å; K1116-K1118 VanDerWaalsContact O-N 3.09Å; K1118-I1120 VanDerWaalsContact C-N 3.33Å; K1118-D1121 PolarHBondContact O-N 3.1Å; K1118-T1122 PolarHBondContact O-N 2.81Å; K1118-T1122 PolarHBondContact O-OG1 3.2Å |
| 1119 | N | 85.9 | Confident | 74.4 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.4 | -34.7 | 177.7 | -54.7 | 105.1 | 0 | 0 | 0 | 111.2 | F1046 M1115 K1116 Q1117 T1122 I1123 | F1046-N1119 PolarHBondContact O-ND2 2.96Å; M1115-N1119 HydrophobicContact CE-CB 4.32Å; M1115-N1119 HydrophobicContact CG-CB 3.95Å; K1116-N1119 PolarHBondContact N-OD1 3.36Å; K1116-N1119 WeakPolarHBondContact O-CB 3.11Å; K1116-N1119 PolarHBondContact O-N 2.48Å; K1116-N1119 PolarHBondContact O-OD1 3.46Å; Q1117-N1119 VanDerWaalsContact C-N 3.25Å; Q1117-N1119 PolarHBondContact O-N 2.92Å; N1119-T1122 WeakPolarHBondContact O-CB 3.36Å; N1119-T1122 PolarHBondContact O-N 3.23Å; N1119-I1123 WeakPolarHBondContact O-CG1 3.34Å; N1119-I1123 PolarHBondContact O-N 3.31Å |
| 1120 | I | 83.1 | Confident | 77.3 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -44.3 | 174.2 | -55.6 | 178.2 | 0 | 0 | 0 | 110.3 | M1115 Q1117 K1118 T1122 I1123 R1124 V1255 E1258 T1259 | M1115-I1120 HydrophobicContact CE-CG1 4.45Å; Q1117-I1120 WeakPolarHBondContact O-CA 3.41Å; Q1117-I1120 WeakPolarHBondContact O-CB 3.43Å; Q1117-I1120 PolarHBondContact O-N 3.26Å; K1118-I1120 VanDerWaalsContact C-N 3.33Å; I1120-T1122 VanDerWaalsContact C-N 3.29Å; I1120-T1122 PolarHBondContact O-N 2.96Å; I1120-I1123 WeakPolarHBondContact O-CB 3.48Å; I1120-I1123 PolarHBondContact O-N 3.19Å; I1120-R1124 PolarHBondContact O-N 3.49Å; I1120-V1255 HydrophobicContact CD1-CG1 4.26Å; I1120-E1258 HydrophobicContact CD1-CB 3.8Å; I1120-T1259 HydrophobicContact CB-CG2 4.5Å; I1120-T1259 HydrophobicContact CD1-CG2 4.33Å; I1120-T1259 HydrophobicContact CG1-CG2 3.89Å; I1120-T1259 HydrophobicContact CG2-CG2 4.2Å |
| 1121 | D | 86.5 | Confident | 79.7 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 17% | 0.171 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -34.7 | 176 | -64.2 | -27.3 | 0 | 0 | 0 | 111.7 | L1017 Q1117 K1118 R1124 T1125 | L1017-D1121 HydrophobicContact CD1-CB 3.56Å; Q1117-D1121 PolarHBondContact O-N 3.21Å; K1118-D1121 PolarHBondContact O-N 3.1Å; D1121-R1124 PolarHBondContact O-N 3.47Å; D1121-R1124 IonicContact OD1-CZ 2.76Å; D1121-R1124 IonicContact OD1-NH1 3.75Å; D1121-R1124 PolarHBondContact OD1-NH1 2.92Å; D1121-R1124 IonicContact OD1-NH2 3.18Å; D1121-T1125 WeakPolarHBondContact O-CB 3.28Å; D1121-T1125 PolarHBondContact O-N 2.9Å; D1121-T1125 PolarHBondContact O-OG1 2.91Å |
| 1122 | T | 90.7 | Very high | 81.7 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 170.6 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | L1017 L1043 F1046 T1047 K1118 N1119 I1120 R1124 T1125 L1126 | L1017-T1122 HydrophobicContact CD2-CG2 4.17Å; L1043-T1122 HydrophobicContact CD1-CG2 3.6Å; L1043-T1122 HydrophobicContact CG-CG2 3.97Å; L1043-T1122 WeakPolarHBondContact O-CG2 3.42Å; F1046-T1122 HydrophobicContact CB-CG2 3.82Å; T1047-T1122 HydrophobicContact CG2-CG2 3.9Å; K1118-T1122 PolarHBondContact O-N 2.81Å; K1118-T1122 PolarHBondContact O-OG1 3.2Å; N1119-T1122 WeakPolarHBondContact O-CB 3.36Å; N1119-T1122 PolarHBondContact O-N 3.23Å; I1120-T1122 VanDerWaalsContact C-N 3.29Å; I1120-T1122 PolarHBondContact O-N 2.96Å; T1122-R1124 PolarHBondContact O-N 3.37Å; T1122-T1125 PolarHBondContact O-N 2.83Å; T1122-L1126 WeakPolarHBondContact O-CB 3.44Å; T1122-L1126 PolarHBondContact O-N 3.37Å |
| 1123 | I | 88 | Confident | 83.5 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 176.4 | -68.6 | 162.5 | 0 | 0 | 0 | 110.3 | T1047 L1049 M1115 N1119 I1120 T1125 L1126 I1127 L1151 T1259 | T1047-I1123 HydrophobicContact CG2-CG1 3.79Å; L1049-I1123 HydrophobicContact CD1-CD1 3.97Å; L1049-I1123 HydrophobicContact CD1-CG1 4.16Å; M1115-I1123 HydrophobicContact CE-CD1 3.5Å; N1119-I1123 WeakPolarHBondContact O-CG1 3.34Å; N1119-I1123 PolarHBondContact O-N 3.31Å; I1120-I1123 WeakPolarHBondContact O-CB 3.48Å; I1120-I1123 PolarHBondContact O-N 3.19Å; I1123-T1125 VanDerWaalsContact C-N 3.29Å; I1123-T1125 PolarHBondContact O-N 3.48Å; I1123-L1126 PolarHBondContact O-N 2.81Å; I1123-I1127 HydrophobicContact CG2-CD1 3.84Å; I1123-I1127 WeakPolarHBondContact O-CG1 3.18Å; I1123-I1127 PolarHBondContact O-N 3.32Å; I1123-L1151 HydrophobicContact CD1-CD1 4.26Å; I1123-L1151 HydrophobicContact CG2-CD2 3.9Å; I1123-T1259 HydrophobicContact CD1-CG2 4.19Å |
| 1124 | R | 88.9 | Confident | 85.4 | Confident | 108 Ų | 108 | 27.6 Ų | 27.6 | 41% | 0.408 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.6 | -43 | 177.4 | -166.2 | -176.9 | -62.9 | 115.2 | 2.2 | 111.2 | I1120 D1121 T1122 I1127 T1128 | I1120-R1124 PolarHBondContact O-N 3.49Å; D1121-R1124 PolarHBondContact O-N 3.47Å; D1121-R1124 IonicContact OD1-CZ 2.76Å; D1121-R1124 IonicContact OD1-NH1 3.75Å; D1121-R1124 PolarHBondContact OD1-NH1 2.92Å; D1121-R1124 IonicContact OD1-NH2 3.18Å; T1122-R1124 PolarHBondContact O-N 3.37Å; R1124-I1127 PolarHBondContact O-N 3.38Å; R1124-T1128 PolarHBondContact O-N 3.06Å; R1124-T1128 PolarHBondContact O-OG1 3.38Å; R1124-T1128 VanDerWaalsContact O-OG1 3.05Å |
| 1125 | T | 91.4 | Very high | 86.6 | Confident | 21 Ų | 21 | 27.2 Ų | 27.2 | 13% | 0.129 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 177.8 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | L1017 R1021 L1043 D1121 T1122 I1123 I1127 T1128 V1129 | L1017-T1125 HydrophobicContact CB-CG2 4.35Å; R1021-T1125 HydrophobicContact CB-CG2 4.33Å; L1043-T1125 HydrophobicContact CD1-CG2 4.26Å; L1043-T1125 HydrophobicContact CD2-CG2 4.18Å; D1121-T1125 WeakPolarHBondContact O-CB 3.28Å; D1121-T1125 PolarHBondContact O-N 2.9Å; D1121-T1125 PolarHBondContact O-OG1 2.91Å; T1122-T1125 PolarHBondContact O-N 2.83Å; I1123-T1125 VanDerWaalsContact C-N 3.29Å; I1123-T1125 PolarHBondContact O-N 3.48Å; T1125-I1127 VanDerWaalsContact C-N 3.34Å; T1125-I1127 PolarHBondContact O-N 3.2Å; T1125-T1128 PolarHBondContact O-N 3.4Å; T1125-V1129 WeakPolarHBondContact O-CG2 3.44Å; T1125-V1129 PolarHBondContact O-N 2.95Å |
| 1126 | L | 92.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.6 | -170.8 | 71.6 | 0 | 0 | 0 | 111.6 | V1040 L1043 T1047 T1122 I1123 V1129 A1130 I1144 C1147 | V1040-L1126 HydrophobicContact CG1-CD1 4.26Å; L1043-L1126 HydrophobicContact CB-CD1 4.32Å; L1043-L1126 HydrophobicContact CD2-CB 3.96Å; L1043-L1126 HydrophobicContact CD2-CD1 3.67Å; L1043-L1126 HydrophobicContact CD2-CG 4.45Å; L1043-L1126 HydrophobicContact CG-CB 4.35Å; L1043-L1126 HydrophobicContact CG-CD1 4.06Å; T1047-L1126 HydrophobicContact CG2-CD2 4.15Å; T1122-L1126 WeakPolarHBondContact O-CB 3.44Å; T1122-L1126 PolarHBondContact O-N 3.37Å; I1123-L1126 PolarHBondContact O-N 2.81Å; L1126-V1129 PolarHBondContact O-N 3.28Å; L1126-A1130 PolarHBondContact O-N 3.49Å; L1126-I1144 HydrophobicContact CD1-CG1 3.73Å; L1126-I1144 HydrophobicContact CG-CG1 4.11Å; L1126-C1147 HydrophobicContact CD2-CB 3.59Å |
| 1127 | I | 90.4 | Very high | 88 | Confident | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.036 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 175.7 | -68.2 | 165.2 | 0 | 0 | 0 | 111 | I1123 R1124 T1125 V1129 A1130 Q1131 V1264 A1267 V1268 I1271 | I1123-I1127 HydrophobicContact CG2-CD1 3.84Å; I1123-I1127 WeakPolarHBondContact O-CG1 3.18Å; I1123-I1127 PolarHBondContact O-N 3.32Å; R1124-I1127 PolarHBondContact O-N 3.38Å; T1125-I1127 VanDerWaalsContact C-N 3.34Å; T1125-I1127 PolarHBondContact O-N 3.2Å; I1127-V1129 PolarHBondContact O-N 3.33Å; I1127-A1130 WeakPolarHBondContact O-CB 3.45Å; I1127-A1130 PolarHBondContact O-N 3.28Å; I1127-Q1131 WeakPolarHBondContact O-CG 3.41Å; I1127-Q1131 PolarHBondContact O-N 2.9Å; I1127-V1264 HydrophobicContact CD1-CG1 3.88Å; I1127-A1267 HydrophobicContact CG2-CB 3.6Å; I1127-V1268 HydrophobicContact CD1-CG2 3.66Å; I1127-V1268 HydrophobicContact CG1-CG2 4.28Å; I1127-I1271 HydrophobicContact CB-CD1 4.49Å; I1127-I1271 HydrophobicContact CG1-CD1 4.46Å; I1127-I1271 HydrophobicContact CG2-CD1 4.05Å |
| 1128 | T | 90.3 | Very high | 88.6 | Confident | 51 Ų | 51 | 20.4 Ų | 20.4 | 31% | 0.313 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -60 | -45.6 | 175.7 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | R1124 T1125 A1130 Q1131 T1132 | R1124-T1128 PolarHBondContact O-N 3.06Å; R1124-T1128 PolarHBondContact O-OG1 3.38Å; R1124-T1128 VanDerWaalsContact O-OG1 3.05Å; T1125-T1128 PolarHBondContact O-N 3.4Å; T1128-A1130 VanDerWaalsContact C-N 3.33Å; T1128-A1130 PolarHBondContact O-N 3.43Å; T1128-Q1131 PolarHBondContact O-N 3.27Å; T1128-Q1131 VanDerWaalsContact O-N 3.14Å; T1128-T1132 HydrophobicContact CG2-CG2 4.26Å; T1128-T1132 PolarHBondContact O-N 3.27Å; T1128-T1132 PolarHBondContact O-OG1 3.03Å |
| 1129 | V | 91.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 175 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | R1021 I1024 T1125 L1126 I1127 Q1131 T1132 D1133 L1137 | R1021-V1129 HydrophobicContact CG-CG2 4.2Å; I1024-V1129 HydrophobicContact CD1-CG1 4.24Å; I1024-V1129 HydrophobicContact CD1-CG2 4.06Å; I1024-V1129 HydrophobicContact CG2-CG1 3.75Å; T1125-V1129 WeakPolarHBondContact O-CG2 3.44Å; T1125-V1129 PolarHBondContact O-N 2.95Å; L1126-V1129 PolarHBondContact O-N 3.28Å; I1127-V1129 PolarHBondContact O-N 3.33Å; V1129-Q1131 VanDerWaalsContact C-N 3.28Å; V1129-Q1131 PolarHBondContact O-N 3.36Å; V1129-T1132 PolarHBondContact O-N 3.4Å; V1129-D1133 WeakPolarHBondContact O-CA 3.48Å; V1129-D1133 WeakPolarHBondContact O-CB 3.32Å; V1129-D1133 PolarHBondContact O-N 2.74Å; V1129-L1137 HydrophobicContact CG1-CD2 3.94Å |
| 1130 | A | 91.2 | Very high | 89 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.8 | -37.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L1126 I1127 T1128 G1134 W1141 I1144 I1271 | L1126-A1130 PolarHBondContact O-N 3.49Å; I1127-A1130 WeakPolarHBondContact O-CB 3.45Å; I1127-A1130 PolarHBondContact O-N 3.28Å; T1128-A1130 VanDerWaalsContact C-N 3.33Å; T1128-A1130 PolarHBondContact O-N 3.43Å; A1130-G1134 WeakPolarHBondContact O-CA 3.41Å; A1130-W1141 HydrophobicContact CB-CH2 4.06Å; A1130-W1141 HydrophobicContact CB-CZ3 3.84Å; A1130-W1141 WeakPolarHBondContact O-CH2 3.39Å; A1130-I1144 HydrophobicContact CB-CG2 3.93Å; A1130-I1271 HydrophobicContact CB-CD1 3.63Å; A1130-I1271 HydrophobicContact CB-CG1 4.13Å |
| 1131 | Q | 87.6 | Confident | 89.5 | Confident | 59 Ų | 59 | 27.6 Ų | 27.6 | 28% | 0.276 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -76.9 | -42.7 | 179.4 | -71.4 | 176.5 | -13.2 | 0 | 0 | 112.7 | I1127 T1128 V1129 A1267 I1271 | I1127-Q1131 WeakPolarHBondContact O-CG 3.41Å; I1127-Q1131 PolarHBondContact O-N 2.9Å; T1128-Q1131 PolarHBondContact O-N 3.27Å; T1128-Q1131 VanDerWaalsContact O-N 3.14Å; V1129-Q1131 VanDerWaalsContact C-N 3.28Å; V1129-Q1131 PolarHBondContact O-N 3.36Å; Q1131-A1267 PolarHBondContact NE2-O 3.45Å; Q1131-I1271 HydrophobicContact CG-CG1 3.96Å |
| 1132 | T | 85.2 | Confident | 89.8 | Confident | 25 Ų | 25 | 27.5 Ų | 27.5 | 15% | 0.153 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -81.9 | -41.9 | -175.5 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | Y685 P688 R1025 T1128 V1129 | Y685-T1132 PolarHBondContact OH-O 3Å; P688-T1132 VanDerWaalsContact CD-O 3.28Å; P688-T1132 WeakPolarHBondContact CD-O 3.19Å; P688-T1132 WeakPolarHBondContact CG-O 3.36Å; R1025-T1132 VanDerWaalsContact NH2-CB 3.28Å; R1025-T1132 PolarHBondContact NH2-OG1 2.93Å; T1128-T1132 HydrophobicContact CG2-CG2 4.26Å; T1128-T1132 PolarHBondContact O-N 3.27Å; T1128-T1132 PolarHBondContact O-OG1 3.03Å; V1129-T1132 PolarHBondContact O-N 3.4Å |
| 1133 | D | 87.7 | Confident | 89.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -107.4 | 12.3 | -168.1 | -61.6 | -64.6 | 0 | 0 | 0 | 113.6 | Y685 R1025 V1129 N1135 Y1136 L1137 | Y685-D1133 WeakPolarHBondContact CE2-OD1 3.41Å; Y685-D1133 PolarHBondContact OH-OD1 3.34Å; R1025-D1133 VanDerWaalsContact CD-OD1 3.28Å; R1025-D1133 WeakPolarHBondContact CD-OD1 3.36Å; R1025-D1133 IonicContact CZ-OD1 2.99Å; R1025-D1133 IonicContact CZ-OD2 3.75Å; R1025-D1133 IonicContact NE-OD1 3.56Å; R1025-D1133 PolarHBondContact NE-OD1 3Å; R1025-D1133 IonicContact NE-OD2 2.93Å; R1025-D1133 PolarHBondContact NE-OD2 3.07Å; R1025-D1133 IonicContact NH2-OD1 3.55Å; R1025-D1133 IonicContact NH2-OD2 3.28Å; V1129-D1133 WeakPolarHBondContact O-CA 3.48Å; V1129-D1133 WeakPolarHBondContact O-CB 3.32Å; V1129-D1133 PolarHBondContact O-N 2.74Å; D1133-N1135 PolarHBondContact O-N 3.22Å; D1133-Y1136 PolarHBondContact O-N 3.32Å; D1133-L1137 WeakPolarHBondContact O-CG 2.86Å; D1133-L1137 PolarHBondContact O-N 2.81Å |
| 1134 | G | 88.1 | Confident | 89.8 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -51.2 | -33.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | A1130 Y1136 W1141 L1278 | A1130-G1134 WeakPolarHBondContact O-CA 3.41Å; G1134-Y1136 PolarHBondContact O-N 3.5Å; G1134-W1141 WeakPolarHBondContact O-CZ2 3.2Å; G1134-W1141 PolarHBondContact O-NE1 3.32Å; G1134-L1278 VanDerWaalsContact C-CD2 3.48Å |
| 1135 | N | 88.1 | Confident | 90.1 | Very high | 18 Ų | 18 | 23.1 Ų | 23.1 | 10% | 0.096 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -68.8 | -17.5 | 178.3 | -78.6 | -26.4 | 0 | 0 | 0 | 114.4 | D1133 L1278 N1279 | D1133-N1135 PolarHBondContact O-N 3.22Å; N1135-L1278 VanDerWaalsContact OD1-CA 3.23Å; N1135-L1278 WeakPolarHBondContact OD1-CA 2.9Å; N1135-N1279 PolarHBondContact OD1-N 3.38Å |
| 1136 | Y | 89.2 | Confident | 90 | Very high | 37 Ų | 37 | 24.8 Ų | 24.8 | 15% | 0.145 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -119 | 0.8 | -170.4 | -56.4 | -83.3 | 0 | 0 | 0 | 112.9 | Y685 C1028 H1031 R1036 D1133 G1134 | Y685-Y1136 HydrophobicContact CD2-CE2 4.43Å; Y685-Y1136 HydrophobicContact CE2-CD2 4.33Å; Y685-Y1136 HydrophobicContact CE2-CE2 4.04Å; C1028-Y1136 VanDerWaalsContact CB-CB 3.42Å; C1028-Y1136 HydrophobicContact CB-CD2 4.37Å; C1028-Y1136 HydrophobicContact CB-CG 3.97Å; C1028-Y1136 WeakPolarHBondContact O-CD1 3.21Å; H1031-Y1136 AromaticContact CE1-CD1 3.78Å; H1031-Y1136 AromaticContact CE1-CE1 3.85Å; R1036-Y1136 WeakPolarHBondContact CD-O 3.29Å; R1036-Y1136 PolarHBondContact NH1-O 3.04Å; D1133-Y1136 PolarHBondContact O-N 3.32Å; G1134-Y1136 PolarHBondContact O-N 3.5Å |
| 1137 | L | 90.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -74.8 | -25.4 | -175 | -71.4 | 176.2 | 0 | 0 | 0 | 114.8 | I1024 R1036 V1040 V1129 D1133 R1139 A1140 W1141 I1144 | I1024-L1137 HydrophobicContact CG2-CD2 4.47Å; R1036-L1137 PolarHBondContact NE-O 3.49Å; R1036-L1137 PolarHBondContact NH1-O 2.71Å; R1036-L1137 PolarHBondContact NH2-O 3.38Å; V1040-L1137 HydrophobicContact CG2-CD2 4.28Å; V1129-L1137 HydrophobicContact CG1-CD2 3.94Å; D1133-L1137 WeakPolarHBondContact O-CG 2.86Å; D1133-L1137 PolarHBondContact O-N 2.81Å; L1137-R1139 PolarHBondContact O-N 3.06Å; L1137-A1140 HydrophobicContact CB-CB 4.48Å; L1137-A1140 HydrophobicContact CD2-CB 4.49Å; L1137-A1140 WeakPolarHBondContact O-CB 3.43Å; L1137-A1140 PolarHBondContact O-N 3.29Å; L1137-W1141 HydrophobicContact CB-CD2 4.18Å; L1137-W1141 HydrophobicContact CB-CG 4.12Å; L1137-W1141 HydrophobicContact CD1-CD2 4.02Å; L1137-W1141 HydrophobicContact CD1-CE3 4.21Å; L1137-W1141 HydrophobicContact CD1-CH2 4.06Å; L1137-W1141 HydrophobicContact CD1-CZ2 3.87Å; L1137-W1141 HydrophobicContact CD1-CZ3 4.22Å; L1137-I1144 HydrophobicContact CD1-CD1 3.5Å; L1137-I1144 HydrophobicContact CD2-CD1 4.24Å; L1137-I1144 HydrophobicContact CG-CD1 4.41Å | ||
| 1138 | G | 90.3 | Very high | 89.8 | Confident | 17 Ų | 17 | 24.6 Ų | 24.6 | 18% | 0.175 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | 47.4 | -125 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1140 W1141 | G1138-A1140 PolarHBondContact O-N 3.5Å; G1138-W1141 WeakPolarHBondContact O-CB 3.28Å; G1138-W1141 VanDerWaalsContact O-CD1 3.29Å; G1138-W1141 PolarHBondContact O-N 3.38Å |
| 1139 | R | 86.9 | Confident | 89.6 | Confident | 181 Ų | 181 | 22.4 Ų | 22.4 | 68% | 0.683 | 10% | 0.103 | S | C | * | . | G | 310 helix | trans | -65.3 | -21.4 | -179.8 | -64.9 | -176.4 | -177.5 | -179.1 | 3.3 | 114.1 | L1137 W1141 L1142 | L1137-R1139 PolarHBondContact O-N 3.06Å; R1139-W1141 PolarHBondContact O-N 3.14Å; R1139-L1142 WeakPolarHBondContact O-CB 3.36Å; R1139-L1142 PolarHBondContact O-N 3.19Å |
| 1140 | A | 91.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -64.4 | -18 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | V1040 L1137 G1138 L1142 E1143 I1144 | V1040-A1140 HydrophobicContact CB-CB 3.98Å; V1040-A1140 HydrophobicContact CG1-CB 3.91Å; V1040-A1140 HydrophobicContact CG2-CB 4.01Å; L1137-A1140 HydrophobicContact CB-CB 4.48Å; L1137-A1140 HydrophobicContact CD2-CB 4.49Å; L1137-A1140 WeakPolarHBondContact O-CB 3.43Å; L1137-A1140 PolarHBondContact O-N 3.29Å; G1138-A1140 PolarHBondContact O-N 3.5Å; A1140-L1142 PolarHBondContact O-N 2.84Å; A1140-E1143 PolarHBondContact O-N 3.03Å; A1140-I1144 PolarHBondContact O-N 3.48Å |
| 1141 | W | 94.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 1% | 0.011 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54.6 | -32.8 | 171.8 | -84.8 | 122.7 | 0 | 0 | 0 | 113.1 | A1130 G1134 L1137 G1138 R1139 I1144 L1145 I1271 L1278 F1286 A1289 | A1130-W1141 HydrophobicContact CB-CH2 4.06Å; A1130-W1141 HydrophobicContact CB-CZ3 3.84Å; A1130-W1141 WeakPolarHBondContact O-CH2 3.39Å; G1134-W1141 WeakPolarHBondContact O-CZ2 3.2Å; G1134-W1141 PolarHBondContact O-NE1 3.32Å; L1137-W1141 HydrophobicContact CB-CD2 4.18Å; L1137-W1141 HydrophobicContact CB-CG 4.12Å; L1137-W1141 HydrophobicContact CD1-CD2 4.02Å; L1137-W1141 HydrophobicContact CD1-CE3 4.21Å; L1137-W1141 HydrophobicContact CD1-CH2 4.06Å; L1137-W1141 HydrophobicContact CD1-CZ2 3.87Å; L1137-W1141 HydrophobicContact CD1-CZ3 4.22Å; G1138-W1141 WeakPolarHBondContact O-CB 3.28Å; G1138-W1141 VanDerWaalsContact O-CD1 3.29Å; G1138-W1141 PolarHBondContact O-N 3.38Å; R1139-W1141 PolarHBondContact O-N 3.14Å; W1141-I1144 HydrophobicContact CE3-CB 4.42Å; W1141-I1144 HydrophobicContact CE3-CD1 4.42Å; W1141-I1144 HydrophobicContact CE3-CG2 4.25Å; W1141-I1144 HydrophobicContact CZ3-CG2 4.25Å; W1141-I1144 PolarHBondContact O-N 3.1Å; W1141-L1145 HydrophobicContact CE3-CG 4.49Å; W1141-L1145 WeakPolarHBondContact O-CB 3.47Å; W1141-L1145 VanDerWaalsContact O-CG 3.25Å; W1141-L1145 WeakPolarHBondContact O-CG 3.43Å; W1141-L1145 PolarHBondContact O-N 3.24Å; W1141-I1271 HydrophobicContact CH2-CG2 4.19Å; W1141-I1271 HydrophobicContact CZ3-CG2 4Å; W1141-L1278 HydrophobicContact CZ2-CD1 4.15Å; W1141-L1278 HydrophobicContact CZ2-CD2 4.11Å; W1141-F1286 HydrophobicContact CD2-CB 4.35Å; W1141-F1286 AromaticContact CD2-CD2 3.53Å; W1141-F1286 HydrophobicContact CD2-CD2 3.53Å; W1141-F1286 HydrophobicContact CD2-CE2 4.32Å; W1141-F1286 HydrophobicContact CD2-CG 4.41Å; W1141-F1286 AromaticContact CE2-CD2 3.65Å; W1141-F1286 AromaticContact CE3-CD2 3.48Å; W1141-F1286 HydrophobicContact CE3-CD2 3.48Å; W1141-F1286 VanDerWaalsContact CE3-CD2 3.48Å; W1141-F1286 AromaticContact CE3-CE2 3.81Å; W1141-F1286 HydrophobicContact CE3-CE2 3.81Å; W1141-F1286 HydrophobicContact CG-CB 4.26Å; W1141-F1286 HydrophobicContact CG-CD2 4.19Å; W1141-F1286 AromaticContact CH2-CD2 3.71Å; W1141-F1286 HydrophobicContact CH2-CD2 3.71Å; W1141-F1286 AromaticContact CH2-CE2 3.92Å; W1141-F1286 HydrophobicContact CH2-CE2 3.92Å; W1141-F1286 AromaticContact CZ2-CD2 3.73Å; W1141-F1286 HydrophobicContact CZ2-CD2 3.73Å; W1141-F1286 HydrophobicContact CZ2-CE2 4.4Å; W1141-F1286 AromaticContact CZ3-CD2 3.59Å; W1141-F1286 HydrophobicContact CZ3-CD2 3.59Å; W1141-F1286 AromaticContact CZ3-CE2 3.6Å; W1141-F1286 HydrophobicContact CZ3-CE2 3.6Å; W1141-A1289 HydrophobicContact CB-CB 3.88Å |
| 1142 | L | 91.7 | Very high | 88.7 | Confident | 29 Ų | 29 | 24.9 Ų | 24.9 | 15% | 0.152 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 179.5 | -179.3 | 62 | 0 | 0 | 0 | 112 | R1139 A1140 I1144 L1145 R1146 A1289 Q1292 V1293 | R1139-L1142 WeakPolarHBondContact O-CB 3.36Å; R1139-L1142 PolarHBondContact O-N 3.19Å; A1140-L1142 PolarHBondContact O-N 2.84Å; L1142-I1144 VanDerWaalsContact C-N 3.33Å; L1142-I1144 PolarHBondContact O-N 3.24Å; L1142-L1145 PolarHBondContact O-N 3.31Å; L1142-R1146 HydrophobicContact CD1-CG 4.42Å; L1142-R1146 WeakPolarHBondContact O-CB 3.46Å; L1142-R1146 VanDerWaalsContact O-CG 3.25Å; L1142-R1146 WeakPolarHBondContact O-CG 3.4Å; L1142-R1146 PolarHBondContact O-N 3.1Å; L1142-A1289 HydrophobicContact CB-CB 4.14Å; L1142-Q1292 HydrophobicContact CD1-CB 4.15Å; L1142-Q1292 HydrophobicContact CD1-CG 4.05Å; L1142-V1293 HydrophobicContact CD1-CG2 3.86Å |
| 1143 | E | 88.1 | Confident | 88.3 | Confident | 21 Ų | 21 | 25.2 Ų | 25.2 | 10% | 0.098 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.7 | -37 | -179.5 | -65.1 | -59.7 | 118.4 | 0 | 0 | 111.9 | Q1041 A1044 L1050 A1140 R1146 C1147 | Q1041-E1143 PolarHBondContact NE2-OE2 2.98Å; Q1041-E1143 VanDerWaalsContact OE1-CG 3.27Å; Q1041-E1143 PolarHBondContact OE1-OE2 3.33Å; A1044-E1143 HydrophobicContact CB-CB 4.16Å; L1050-E1143 VanDerWaalsContact CD1-OE2 3.26Å; L1050-E1143 WeakPolarHBondContact CD1-OE2 3.24Å; A1140-E1143 PolarHBondContact O-N 3.03Å; E1143-R1146 IonicContact OE1-CZ 2.79Å; E1143-R1146 IonicContact OE1-NH1 3.62Å; E1143-R1146 PolarHBondContact OE1-NH1 3.04Å; E1143-C1147 PolarHBondContact O-N 2.94Å; E1143-C1147 PolarHBondContact O-SG 3.38Å |
| 1144 | I | 92.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -49.5 | 176.1 | -68.4 | 165.2 | 0 | 0 | 0 | 110.6 | V1040 L1126 A1130 L1137 A1140 W1141 L1142 R1146 C1147 I1148 | V1040-I1144 HydrophobicContact CG1-CD1 4.01Å; V1040-I1144 HydrophobicContact CG1-CG1 3.84Å; L1126-I1144 HydrophobicContact CD1-CG1 3.73Å; L1126-I1144 HydrophobicContact CG-CG1 4.11Å; A1130-I1144 HydrophobicContact CB-CG2 3.93Å; L1137-I1144 HydrophobicContact CD1-CD1 3.5Å; L1137-I1144 HydrophobicContact CD2-CD1 4.24Å; L1137-I1144 HydrophobicContact CG-CD1 4.41Å; A1140-I1144 PolarHBondContact O-N 3.48Å; W1141-I1144 HydrophobicContact CE3-CB 4.42Å; W1141-I1144 HydrophobicContact CE3-CD1 4.42Å; W1141-I1144 HydrophobicContact CE3-CG2 4.25Å; W1141-I1144 HydrophobicContact CZ3-CG2 4.25Å; W1141-I1144 PolarHBondContact O-N 3.1Å; L1142-I1144 VanDerWaalsContact C-N 3.33Å; L1142-I1144 PolarHBondContact O-N 3.24Å; I1144-R1146 PolarHBondContact O-N 3.42Å; I1144-C1147 WeakPolarHBondContact O-CB 3.26Å; I1144-C1147 PolarHBondContact O-N 2.94Å; I1144-I1148 HydrophobicContact CG2-CD1 3.97Å; I1144-I1148 WeakPolarHBondContact O-CG1 3.38Å; I1144-I1148 PolarHBondContact O-N 3.21Å |
| 1145 | L | 93.8 | Very high | 86.9 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.5 | -34.5 | -178.7 | -69.5 | 173 | 0 | 0 | 0 | 112 | W1141 L1142 C1147 I1148 S1149 F1272 F1286 A1289 L1290 V1293 | W1141-L1145 HydrophobicContact CE3-CG 4.49Å; W1141-L1145 WeakPolarHBondContact O-CB 3.47Å; W1141-L1145 VanDerWaalsContact O-CG 3.25Å; W1141-L1145 WeakPolarHBondContact O-CG 3.43Å; W1141-L1145 PolarHBondContact O-N 3.24Å; L1142-L1145 PolarHBondContact O-N 3.31Å; L1145-C1147 VanDerWaalsContact C-N 3.35Å; L1145-I1148 HydrophobicContact CD2-CD1 4.31Å; L1145-I1148 PolarHBondContact O-N 3.37Å; L1145-S1149 WeakPolarHBondContact O-CB 3.47Å; L1145-S1149 PolarHBondContact O-N 3.15Å; L1145-F1272 HydrophobicContact CD2-CE1 3.97Å; L1145-F1272 HydrophobicContact CD2-CZ 4.28Å; L1145-F1286 HydrophobicContact CD1-CD2 4.42Å; L1145-F1286 HydrophobicContact CD1-CE2 4.23Å; L1145-F1286 HydrophobicContact CD1-CZ 4.42Å; L1145-F1286 HydrophobicContact CD2-CE2 3.93Å; L1145-F1286 HydrophobicContact CD2-CZ 4.03Å; L1145-F1286 HydrophobicContact CG-CE2 4.48Å; L1145-A1289 HydrophobicContact CD1-CB 3.85Å; L1145-L1290 HydrophobicContact CD1-CB 3.82Å; L1145-L1290 HydrophobicContact CD1-CD1 4.31Å; L1145-L1290 HydrophobicContact CD2-CD1 4.3Å; L1145-V1293 HydrophobicContact CB-CG2 3.93Å |
| 1146 | R | 90.8 | Very high | 86 | Confident | 55 Ų | 55 | 32.1 Ų | 32.1 | 21% | 0.208 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 169.5 | -75.9 | 175.3 | 169.6 | 160.4 | -3.1 | 111.4 | L1050 L1142 E1143 I1144 I1148 S1149 Q1150 V1293 E1296 | L1050-R1146 HydrophobicContact CD2-CB 3.63Å; L1142-R1146 HydrophobicContact CD1-CG 4.42Å; L1142-R1146 WeakPolarHBondContact O-CB 3.46Å; L1142-R1146 VanDerWaalsContact O-CG 3.25Å; L1142-R1146 WeakPolarHBondContact O-CG 3.4Å; L1142-R1146 PolarHBondContact O-N 3.1Å; E1143-R1146 IonicContact OE1-CZ 2.79Å; E1143-R1146 IonicContact OE1-NH1 3.62Å; E1143-R1146 PolarHBondContact OE1-NH1 3.04Å; I1144-R1146 PolarHBondContact O-N 3.42Å; R1146-I1148 VanDerWaalsContact C-N 3.35Å; R1146-I1148 PolarHBondContact O-N 3.04Å; R1146-S1149 PolarHBondContact O-N 3.01Å; R1146-Q1150 VanDerWaalsContact O-CG 3.31Å; R1146-Q1150 WeakPolarHBondContact O-CG 3.31Å; R1146-Q1150 PolarHBondContact O-N 3.33Å; R1146-V1293 HydrophobicContact CG-CG2 3.71Å; R1146-E1296 IonicContact CZ-OE1 3.56Å; R1146-E1296 IonicContact CZ-OE2 3.63Å; R1146-E1296 IonicContact NE-OE1 3.47Å; R1146-E1296 IonicContact NE-OE2 2.77Å; R1146-E1296 PolarHBondContact NE-OE2 3.02Å; R1146-E1296 IonicContact NH2-OE1 3.15Å; R1146-E1296 PolarHBondContact NH2-OE1 3.41Å; R1146-E1296 IonicContact NH2-OE2 3.11Å |
| 1147 | C | 87.3 | Confident | 84.8 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.02 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 175.7 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | L1049 L1050 L1126 E1143 I1144 L1145 Q1150 L1151 | L1049-C1147 HydrophobicContact CD1-CB 4.46Å; L1049-C1147 WeakPolarHBondContact CD1-O 3.31Å; L1050-C1147 VanDerWaalsContact CD1-SG 3.59Å; L1126-C1147 HydrophobicContact CD2-CB 3.59Å; E1143-C1147 PolarHBondContact O-N 2.94Å; E1143-C1147 PolarHBondContact O-SG 3.38Å; I1144-C1147 WeakPolarHBondContact O-CB 3.26Å; I1144-C1147 PolarHBondContact O-N 2.94Å; L1145-C1147 VanDerWaalsContact C-N 3.35Å; C1147-Q1150 PolarHBondContact O-N 2.85Å; C1147-L1151 VanDerWaalsContact O-CB 3.28Å; C1147-L1151 WeakPolarHBondContact O-CB 3.35Å; C1147-L1151 PolarHBondContact O-N 3.18Å |
| 1148 | I | 89.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 178.1 | -68.8 | 167.3 | 0 | 0 | 0 | 111.2 | I1144 L1145 R1146 Q1150 L1151 E1152 V1268 I1271 F1272 F1306 | I1144-I1148 HydrophobicContact CG2-CD1 3.97Å; I1144-I1148 WeakPolarHBondContact O-CG1 3.38Å; I1144-I1148 PolarHBondContact O-N 3.21Å; L1145-I1148 HydrophobicContact CD2-CD1 4.31Å; L1145-I1148 PolarHBondContact O-N 3.37Å; R1146-I1148 VanDerWaalsContact C-N 3.35Å; R1146-I1148 PolarHBondContact O-N 3.04Å; I1148-Q1150 PolarHBondContact O-N 3.42Å; I1148-L1151 WeakPolarHBondContact O-CB 3.13Å; I1148-L1151 PolarHBondContact O-N 2.83Å; I1148-E1152 WeakPolarHBondContact O-CG 3.25Å; I1148-E1152 PolarHBondContact O-N 3.01Å; I1148-V1268 HydrophobicContact CG2-CG1 3.59Å; I1148-I1271 HydrophobicContact CD1-CD1 3.67Å; I1148-F1272 HydrophobicContact CG2-CE2 4.06Å; I1148-F1272 HydrophobicContact CG2-CZ 3.96Å; I1148-F1306 HydrophobicContact CG2-CE1 4.37Å; I1148-F1306 HydrophobicContact CG2-CZ 4.46Å |
| 1149 | S | 87.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -48.6 | 175.2 | 168.3 | 0 | 0 | 0 | 0 | 112 | L1145 R1146 E1152 S1153 E1297 R1304 | L1145-S1149 WeakPolarHBondContact O-CB 3.47Å; L1145-S1149 PolarHBondContact O-N 3.15Å; R1146-S1149 PolarHBondContact O-N 3.01Å; S1149-E1152 PolarHBondContact O-N 3.24Å; S1149-S1153 PolarHBondContact O-N 2.87Å; S1149-E1297 WeakPolarHBondContact CB-OE1 3.18Å; S1149-E1297 PolarHBondContact OG-OE1 3.19Å; S1149-R1304 PolarHBondContact O-NH1 3.23Å; S1149-R1304 PolarHBondContact O-NH2 3.44Å |
| 1150 | Q | 83.3 | Confident | 80.7 | Confident | 68 Ų | 68 | 33.4 Ų | 33.4 | 32% | 0.318 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67.4 | -36.3 | 179.5 | -67.6 | -58.8 | -22.3 | 0 | 0 | 112.4 | L1049 L1050 R1146 C1147 I1148 S1153 A1154 | L1049-Q1150 HydrophobicContact CB-CB 3.94Å; L1050-Q1150 HydrophobicContact CD2-CG 4.37Å; R1146-Q1150 VanDerWaalsContact O-CG 3.31Å; R1146-Q1150 WeakPolarHBondContact O-CG 3.31Å; R1146-Q1150 PolarHBondContact O-N 3.33Å; C1147-Q1150 PolarHBondContact O-N 2.85Å; I1148-Q1150 PolarHBondContact O-N 3.42Å; Q1150-S1153 WeakPolarHBondContact O-CB 3.3Å; Q1150-S1153 PolarHBondContact O-N 3.48Å; Q1150-A1154 PolarHBondContact O-N 2.97Å |
| 1151 | L | 84 | Confident | 78.8 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.3 | -51.1 | 173.6 | 179.5 | 60.5 | 0 | 0 | 0 | 110.9 | L1049 I1123 C1147 I1148 S1153 A1154 H1155 T1259 V1264 V1268 | L1049-L1151 HydrophobicContact CD1-CB 3.9Å; L1049-L1151 HydrophobicContact CD1-CD1 4.38Å; I1123-L1151 HydrophobicContact CD1-CD1 4.26Å; I1123-L1151 HydrophobicContact CG2-CD2 3.9Å; C1147-L1151 VanDerWaalsContact O-CB 3.28Å; C1147-L1151 WeakPolarHBondContact O-CB 3.35Å; C1147-L1151 PolarHBondContact O-N 3.18Å; I1148-L1151 WeakPolarHBondContact O-CB 3.13Å; I1148-L1151 PolarHBondContact O-N 2.83Å; L1151-S1153 VanDerWaalsContact C-N 3.28Å; L1151-S1153 PolarHBondContact O-N 3.36Å; L1151-A1154 WeakPolarHBondContact O-CB 3.34Å; L1151-A1154 PolarHBondContact O-N 3.37Å; L1151-A1154 VanDerWaalsContact O-N 3.15Å; L1151-H1155 PolarHBondContact O-N 2.87Å; L1151-H1155 PolarHBondContact O-ND1 3.3Å; L1151-H1155 VanDerWaalsContact O-ND1 3.14Å; L1151-T1259 HydrophobicContact CD1-CG2 4.42Å; L1151-V1264 HydrophobicContact CD2-CG1 4.22Å; L1151-V1268 HydrophobicContact CD2-CG2 4.36Å |
| 1152 | E | 82.4 | Confident | 76.6 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 20% | 0.201 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -29.7 | 178.3 | -72.3 | -76 | 158.9 | 0 | 0 | 112.3 | I1148 S1149 A1154 H1155 L1156 F1306 | I1148-E1152 WeakPolarHBondContact O-CG 3.25Å; I1148-E1152 PolarHBondContact O-N 3.01Å; S1149-E1152 PolarHBondContact O-N 3.24Å; E1152-A1154 VanDerWaalsContact C-N 3.31Å; E1152-H1155 PolarHBondContact O-N 3.48Å; E1152-L1156 PolarHBondContact O-N 2.97Å; E1152-L1156 VanDerWaalsContact O-N 3.1Å; E1152-F1306 HydrophobicContact CB-CD1 4.41Å; E1152-F1306 HydrophobicContact CB-CD2 4.34Å; E1152-F1306 HydrophobicContact CB-CE1 4.26Å; E1152-F1306 HydrophobicContact CB-CE2 4.17Å; E1152-F1306 HydrophobicContact CB-CG 4.46Å; E1152-F1306 HydrophobicContact CB-CZ 4.15Å; E1152-F1306 HydrophobicContact CG-CD2 4.4Å; E1152-F1306 HydrophobicContact CG-CE1 4.05Å; E1152-F1306 HydrophobicContact CG-CE2 3.74Å; E1152-F1306 HydrophobicContact CG-CZ 3.56Å |
| 1153 | S | 77.5 | Confident | 74.4 | Confident | 32 Ų | 32 | 40 Ų | 40 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 172.3 | -153.7 | 0 | 0 | 0 | 0 | 110.3 | S1149 Q1150 L1151 L1156 I1157 R1304 | S1149-S1153 PolarHBondContact O-N 2.87Å; Q1150-S1153 WeakPolarHBondContact O-CB 3.3Å; Q1150-S1153 PolarHBondContact O-N 3.48Å; L1151-S1153 VanDerWaalsContact C-N 3.28Å; L1151-S1153 PolarHBondContact O-N 3.36Å; S1153-L1156 WeakPolarHBondContact O-CB 3.34Å; S1153-L1156 PolarHBondContact O-N 3.19Å; S1153-I1157 WeakPolarHBondContact O-CG1 3.34Å; S1153-I1157 PolarHBondContact O-N 3.18Å; S1153-R1304 VanDerWaalsContact N-NH1 3.13Å; S1153-R1304 PolarHBondContact OG-NH1 3.41Å |
| 1154 | A | 72.3 | Confident | 72.3 | Confident | 25 Ų | 25 | 44 Ų | 44 | 21% | 0.207 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 180 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q1150 L1151 E1152 L1156 I1157 T1158 M1256 | Q1150-A1154 PolarHBondContact O-N 2.97Å; L1151-A1154 WeakPolarHBondContact O-CB 3.34Å; L1151-A1154 PolarHBondContact O-N 3.37Å; L1151-A1154 VanDerWaalsContact O-N 3.15Å; E1152-A1154 VanDerWaalsContact C-N 3.31Å; A1154-L1156 VanDerWaalsContact C-N 3.27Å; A1154-L1156 PolarHBondContact O-N 3.02Å; A1154-I1157 PolarHBondContact O-N 2.62Å; A1154-I1157 VanDerWaalsContact O-N 3.1Å; A1154-T1158 PolarHBondContact O-N 2.97Å; A1154-T1158 VanDerWaalsContact O-N 3.14Å; A1154-M1256 HydrophobicContact CB-CE 3.42Å; A1154-M1256 VanDerWaalsContact CB-CE 3.42Å; A1154-M1256 WeakPolarHBondContact O-CE 3.47Å |
| 1155 | H | 74.4 | Confident | 69.7 | Low | 18 Ų | 18 | 50.8 Ų | 50.8 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54 | -41.9 | 175.8 | -72 | 122.3 | 0 | 0 | 0 | 113.1 | L1151 E1152 I1157 T1158 H1159 T1259 G1260 | L1151-H1155 PolarHBondContact O-N 2.87Å; L1151-H1155 PolarHBondContact O-ND1 3.3Å; L1151-H1155 VanDerWaalsContact O-ND1 3.14Å; E1152-H1155 PolarHBondContact O-N 3.48Å; H1155-I1157 PolarHBondContact O-N 2.98Å; H1155-T1158 PolarHBondContact O-N 3.35Å; H1155-H1159 PolarHBondContact O-CD2 3.41Å; H1155-H1159 PolarHBondContact O-N 2.91Å; H1155-T1259 PolarHBondContact CE1-O 3.28Å; H1155-T1259 PolarHBondContact NE2-O 3.05Å; H1155-T1259 PolarHBondContact NE2-OG1 3.23Å; H1155-T1259 VanDerWaalsContact NE2-OG1 3.13Å; H1155-G1260 WeakPolarHBondContact NE2-CA 3.32Å; H1155-G1260 PolarHBondContact NE2-N 3.38Å |
| 1156 | L | 69.5 | Low | 66.9 | Low | 121 Ų | 121 | 52.7 Ų | 52.7 | 63% | 0.634 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 178 | -156.1 | 88.3 | 0 | 0 | 0 | 112.3 | E1152 S1153 A1154 T1158 H1159 A1160 | E1152-L1156 PolarHBondContact O-N 2.97Å; E1152-L1156 VanDerWaalsContact O-N 3.1Å; S1153-L1156 WeakPolarHBondContact O-CB 3.34Å; S1153-L1156 PolarHBondContact O-N 3.19Å; A1154-L1156 VanDerWaalsContact C-N 3.27Å; A1154-L1156 PolarHBondContact O-N 3.02Å; L1156-T1158 PolarHBondContact O-N 3.26Å; L1156-H1159 PolarHBondContact O-N 2.9Å; L1156-A1160 PolarHBondContact O-N 3.46Å; L1156-A1160 VanDerWaalsContact O-N 3.07Å |
| 1157 | I | 63.9 | Low | 63.9 | Low | 61 Ų | 61 | 57.7 Ų | 57.7 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 179 | -65.5 | 167.1 | 0 | 0 | 0 | 110.7 | S1153 A1154 H1155 A1160 I1161 | S1153-I1157 WeakPolarHBondContact O-CG1 3.34Å; S1153-I1157 PolarHBondContact O-N 3.18Å; A1154-I1157 PolarHBondContact O-N 2.62Å; A1154-I1157 VanDerWaalsContact O-N 3.1Å; H1155-I1157 PolarHBondContact O-N 2.98Å; I1157-A1160 PolarHBondContact O-N 3.34Å; I1157-I1161 HydrophobicContact CG2-CD1 4.01Å; I1157-I1161 WeakPolarHBondContact O-CG1 3.38Å; I1157-I1161 PolarHBondContact O-N 2.79Å |
| 1158 | T | 62.6 | Low | 61.2 | Low | 16 Ų | 16 | 65.6 Ų | 65.6 | 10% | 0.098 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.7 | -35.7 | 179.6 | -69.1 | 0 | 0 | 0 | 0 | 112.8 | A1154 H1155 L1156 A1160 I1161 S1162 Q1253 M1256 | A1154-T1158 PolarHBondContact O-N 2.97Å; A1154-T1158 VanDerWaalsContact O-N 3.14Å; H1155-T1158 PolarHBondContact O-N 3.35Å; L1156-T1158 PolarHBondContact O-N 3.26Å; T1158-A1160 VanDerWaalsContact C-N 3.32Å; T1158-A1160 PolarHBondContact O-N 3.4Å; T1158-I1161 PolarHBondContact O-N 2.85Å; T1158-S1162 PolarHBondContact O-N 3Å; T1158-S1162 PolarHBondContact O-OG 3.23Å; T1158-Q1253 HydrophobicContact CG2-CB 4.35Å; T1158-Q1253 HydrophobicContact CG2-CG 4.05Å; T1158-M1256 WeakPolarHBondContact OG1-CE 3.25Å; T1158-M1256 PolarHBondContact OG1-SD 3.5Å |
| 1159 | H | 63.2 | Low | 58.3 | Low | 129 Ų | 129 | 71.1 Ų | 71.1 | 60% | 0.597 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.2 | -36.7 | 172.2 | -80.1 | -60.5 | 0 | 0 | 0 | 112.3 | H1155 L1156 S1162 S1163 | H1155-H1159 PolarHBondContact O-CD2 3.41Å; H1155-H1159 PolarHBondContact O-N 2.91Å; L1156-H1159 PolarHBondContact O-N 2.9Å; H1159-S1162 PolarHBondContact O-N 3.09Å; H1159-S1163 PolarHBondContact O-N 3.06Å |
| 1160 | A | 55.2 | Low | 55.4 | Low | 56 Ų | 56 | 78.5 Ų | 78.5 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.7 | -34.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1156 I1157 T1158 S1163 T1164 | L1156-A1160 PolarHBondContact O-N 3.46Å; L1156-A1160 VanDerWaalsContact O-N 3.07Å; I1157-A1160 PolarHBondContact O-N 3.34Å; T1158-A1160 VanDerWaalsContact C-N 3.32Å; T1158-A1160 PolarHBondContact O-N 3.4Å; A1160-S1163 PolarHBondContact O-OG 3.28Å; A1160-T1164 PolarHBondContact O-OG1 3.49Å |
| 1161 | I | 50.3 | Low | 52.7 | Low | 41 Ų | 41 | 81.5 Ų | 81.5 | 21% | 0.21 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -69.4 | -38 | 173.5 | -64 | 165.2 | 0 | 0 | 0 | 110.5 | I1157 T1158 S1163 T1164 A1249 | I1157-I1161 HydrophobicContact CG2-CD1 4.01Å; I1157-I1161 WeakPolarHBondContact O-CG1 3.38Å; I1157-I1161 PolarHBondContact O-N 2.79Å; T1158-I1161 PolarHBondContact O-N 2.85Å; I1161-S1163 VanDerWaalsContact C-N 3.3Å; I1161-S1163 PolarHBondContact O-N 2.91Å; I1161-T1164 PolarHBondContact O-N 3.08Å; I1161-T1164 PolarHBondContact O-OG1 3.22Å; I1161-A1249 HydrophobicContact CG2-CB 4.36Å |
| 1162 | S | 48 | Very low | 50.1 | Low | 51 Ų | 51 | 87.4 Ų | 87.4 | 36% | 0.357 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -34.1 | 179.3 | -59.6 | 0 | 0 | 0 | 0 | 113 | T1158 H1159 Q1253 | T1158-S1162 PolarHBondContact O-N 3Å; T1158-S1162 PolarHBondContact O-OG 3.23Å; H1159-S1162 PolarHBondContact O-N 3.09Å; S1162-Q1253 PolarHBondContact OG-NE2 3.22Å |
| 1163 | S | 45.5 | Very low | 47.3 | Very low | 82 Ų | 82 | 93 Ų | 93 | 57% | 0.573 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -77.3 | -19.5 | 179.2 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | H1159 A1160 I1161 | H1159-S1163 PolarHBondContact O-N 3.06Å; A1160-S1163 PolarHBondContact O-OG 3.28Å; I1161-S1163 VanDerWaalsContact C-N 3.3Å; I1161-S1163 PolarHBondContact O-N 2.91Å |
| 1164 | T | 44.5 | Very low | 44.8 | Very low | 106 Ų | 106 | 97.9 Ų | 97.9 | 65% | 0.65 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -85 | -18 | -179.2 | 46.8 | 0 | 0 | 0 | 0 | 114.2 | A1160 I1161 G1166 | A1160-T1164 PolarHBondContact O-OG1 3.49Å; I1161-T1164 PolarHBondContact O-N 3.08Å; I1161-T1164 PolarHBondContact O-OG1 3.22Å; T1164-G1166 VanDerWaalsContact C-N 3.3Å; T1164-G1166 PolarHBondContact O-N 3.35Å |
| 1165 | N | 38.5 | Very low | 42.5 | Very low | 144 Ų | 144 | 103.2 Ų | 103.2 | 77% | 0.77 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -0.7 | 177.1 | -86.6 | -17.4 | 0 | 0 | 0 | 114.8 | ||
| 1166 | G | 34.5 | Very low | 40.1 | Very low | 42 Ų | 42 | 109 Ų | 109 | 43% | 0.433 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -130 | 118.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T1164 | T1164-G1166 VanDerWaalsContact C-N 3.3Å; T1164-G1166 PolarHBondContact O-N 3.35Å |
| 1167 | L | 28.7 | Very low | 37.8 | Very low | 160 Ų | 160 | 113.6 Ų | 113.6 | 84% | 0.838 | 63% | 0.633 | S | S | * | * | trans | 103 | 90.3 | 163.9 | -52.6 | 159.6 | 0 | 0 | 0 | 116.3 | T1169 | L1167-T1169 VanDerWaalsContact C-N 3.31Å; L1167-T1169 PolarHBondContact O-N 3.05Å | ||
| 1168 | N | 29 | Very low | 35.8 | Very low | 170 Ų | 170 | 114.9 Ų | 114.9 | 91% | 0.909 | 65% | 0.648 | S | S | * | * | trans | -57.4 | 94.3 | 139.1 | -83.1 | -22.5 | 0 | 0 | 0 | 108.9 | ||||
| 1169 | T | 28.7 | Very low | 33.9 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | trans | -168.3 | 124.6 | 146.8 | 44.2 | 0 | 0 | 0 | 0 | 109.5 | L1167 N1171 | L1167-T1169 VanDerWaalsContact C-N 3.31Å; L1167-T1169 PolarHBondContact O-N 3.05Å; T1169-N1171 PolarHBondContact O-N 3.28Å | ||
| 1170 | N | 28 | Very low | 31.9 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 85% | 0.85 | 69% | 0.686 | S | S | * | * | trans | -47.5 | 117.7 | 173.6 | -60.9 | -30.8 | 0 | 0 | 0 | 112.5 | ||||
| 1171 | N | 26.1 | Very low | 30.4 | Very low | 132 Ų | 132 | 126 Ų | 126 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -178.5 | 115.3 | 137.3 | -90.3 | -14.7 | 0 | 0 | 0 | 109.5 | T1169 H1173 | T1169-N1171 PolarHBondContact O-N 3.28Å; N1171-H1173 PolarHBondContact O-N 3.43Å; N1171-H1173 VanDerWaalsContact O-N 3.16Å | ||
| 1172 | P | 28.5 | Very low | 29 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | trans | -83.5 | 92 | 178.1 | 33.4 | -28.3 | 0 | 0 | 0 | 108.6 | ||||
| 1173 | H | 24.4 | Very low | 27.9 | Very low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | trans | -102 | 112.1 | 161.1 | -79.6 | -62.8 | 0 | 0 | 0 | 108.8 | N1171 V1175 | N1171-H1173 PolarHBondContact O-N 3.43Å; N1171-H1173 VanDerWaalsContact O-N 3.16Å; H1173-V1175 PolarHBondContact O-N 2.93Å | ||
| 1174 | T | 25.7 | Very low | 26.8 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | -46.7 | 117.4 | 171.7 | 37.3 | 0 | 0 | 0 | 0 | 111.3 | N1176 | T1174-N1176 VanDerWaalsContact C-N 3.35Å; T1174-N1176 PolarHBondContact O-N 2.88Å | ||
| 1175 | V | 23.3 | Very low | 25.8 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | -78.6 | 86.4 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | H1173 R1177 | H1173-V1175 PolarHBondContact O-N 2.93Å; V1175-R1177 PolarHBondContact O-N 3.42Å | ||
| 1176 | N | 23.5 | Very low | 25.1 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -76.1 | 104.7 | 157.9 | -101 | -9 | 0 | 0 | 0 | 107.3 | T1174 S1178 | T1174-N1176 VanDerWaalsContact C-N 3.35Å; T1174-N1176 PolarHBondContact O-N 2.88Å; N1176-S1178 PolarHBondContact O-N 3.39Å | ||
| 1177 | R | 21 | Very low | 24.5 | Very low | 216 Ų | 216 | 145.8 Ų | 145.8 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -73 | 80.5 | 167.3 | -166.6 | -178.4 | -152.8 | 173.7 | 5.7 | 107.9 | V1175 T1179 | V1175-R1177 PolarHBondContact O-N 3.42Å; R1177-T1179 PolarHBondContact O-N 3.17Å | ||
| 1178 | S | 21.8 | Very low | 24.2 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | trans | -66.8 | 99.6 | 169.7 | -53.9 | 0 | 0 | 0 | 0 | 108.6 | N1176 H1180 | N1176-S1178 PolarHBondContact O-N 3.39Å; S1178-H1180 PolarHBondContact O-N 3.21Å | ||
| 1179 | T | 23.3 | Very low | 23.9 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -66.6 | 90.6 | 161.6 | 36.7 | 0 | 0 | 0 | 0 | 107.6 | R1177 F1181 | R1177-T1179 PolarHBondContact O-N 3.17Å; T1179-F1181 PolarHBondContact O-N 3.28Å | ||
| 1180 | H | 22.1 | Very low | 23.5 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | trans | -57.5 | 110.4 | 170.3 | -106.2 | -86.6 | 0 | 0 | 0 | 109.2 | S1178 N1182 | S1178-H1180 PolarHBondContact O-N 3.21Å; H1180-N1182 VanDerWaalsContact C-N 3.32Å; H1180-N1182 PolarHBondContact O-N 3.17Å | ||
| 1181 | F | 22.7 | Very low | 23.2 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | trans | -56.6 | 91.3 | 162.7 | -109 | -92.1 | 0 | 0 | 0 | 108.8 | T1179 S1183 | T1179-F1181 PolarHBondContact O-N 3.28Å; F1181-S1183 PolarHBondContact O-N 3.25Å | ||
| 1182 | N | 22.3 | Very low | 23.1 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -86.2 | 101 | 163.3 | -95.5 | -16.5 | 0 | 0 | 0 | 107.7 | H1180 Y1184 | H1180-N1182 VanDerWaalsContact C-N 3.32Å; H1180-N1182 PolarHBondContact O-N 3.17Å; N1182-Y1184 PolarHBondContact O-N 3.01Å; N1182-Y1184 VanDerWaalsContact O-N 3.14Å | ||
| 1183 | S | 24.4 | Very low | 22.9 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -51.8 | 116 | 164.4 | -86.4 | 0 | 0 | 0 | 0 | 109.6 | F1181 N1185 | F1181-S1183 PolarHBondContact O-N 3.25Å; S1183-N1185 VanDerWaalsContact C-N 3.34Å; S1183-N1185 PolarHBondContact O-N 2.92Å | ||
| 1184 | Y | 22 | Very low | 22.8 | Very low | 224 Ų | 224 | 151 Ų | 151 | 88% | 0.878 | 78% | 0.781 | S | S | * | * | trans | -61.2 | 94.9 | 163.6 | -97.2 | -98.1 | 0 | 0 | 0 | 108.7 | N1182 N1186 | N1182-Y1184 PolarHBondContact O-N 3.01Å; N1182-Y1184 VanDerWaalsContact O-N 3.14Å; Y1184-N1186 PolarHBondContact O-N 3.49Å | ||
| 1185 | N | 23.5 | Very low | 22.5 | Very low | 140 Ų | 140 | 152.9 Ų | 152.9 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -76.5 | 110.4 | 164.2 | -95.5 | -15.8 | 0 | 0 | 0 | 108.5 | S1183 S1187 | S1183-N1185 VanDerWaalsContact C-N 3.34Å; S1183-N1185 PolarHBondContact O-N 2.92Å; N1185-S1187 PolarHBondContact O-N 3.41Å; N1185-S1187 VanDerWaalsContact O-N 3.09Å; N1185-S1187 PolarHBondContact O-OG 2.95Å | ||
| 1186 | N | 23.9 | Very low | 22.5 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -55 | 111.2 | 173.9 | -84.4 | -34.4 | 0 | 0 | 0 | 110.7 | Y1184 Y1188 | Y1184-N1186 PolarHBondContact O-N 3.49Å; N1186-Y1188 PolarHBondContact O-N 3.32Å | ||
| 1187 | S | 21.8 | Very low | 22.5 | Very low | 115 Ų | 115 | 151 Ų | 151 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -90.3 | 91.1 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 109.4 | N1185 | N1185-S1187 PolarHBondContact O-N 3.41Å; N1185-S1187 VanDerWaalsContact O-N 3.09Å; N1185-S1187 PolarHBondContact O-OG 2.95Å | ||
| 1188 | Y | 21.4 | Very low | 22.6 | Very low | 217 Ų | 217 | 147.3 Ų | 147.3 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -130.7 | 87.5 | 155.7 | -112.9 | -86.8 | 0 | 0 | 0 | 107 | N1186 | N1186-Y1188 PolarHBondContact O-N 3.32Š| ||
| 1189 | N | 23.6 | Very low | 22.7 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -163.5 | 115.4 | 145.6 | -97.8 | -27.2 | 0 | 0 | 0 | 109 | ||||
| 1190 | Q | 20.9 | Very low | 22.6 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | trans | -70 | 152.4 | 174.4 | -68.8 | 173.5 | -18.1 | 0 | 0 | 110.3 | ||||
| 1191 | N | 22 | Very low | 22.6 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 103.4 | 113.4 | 151.3 | -60 | -26 | 0 | 0 | 0 | 119 | ||||
| 1192 | T | 23.2 | Very low | 22.6 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | 95.2 | 105.7 | 145.3 | 60.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1193 | N | 23.8 | Very low | 22.7 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | 79.6 | 104 | 134.1 | -63.3 | -4.6 | 0 | 0 | 0 | 120.8 | ||||
| 1194 | E | 22.1 | Very low | 22.6 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | 55.8 | 89.6 | 134.9 | -64.6 | -172.5 | 164 | 0 | 0 | 118.8 | S1196 | E1194-S1196 PolarHBondContact O-N 3.39Å; E1194-S1196 VanDerWaalsContact O-N 3.17Å | ||
| 1195 | L | 20.8 | Very low | 22.6 | Very low | 172 Ų | 172 | 147 Ų | 147 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -32.7 | 101.2 | 153.3 | -154.3 | 78.2 | 0 | 0 | 0 | 113.8 | ||||
| 1196 | S | 22 | Very low | 22.6 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -103.3 | 106.8 | 166.7 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | E1194 | E1194-S1196 PolarHBondContact O-N 3.39Å; E1194-S1196 VanDerWaalsContact O-N 3.17Å | ||
| 1197 | T | 24 | Very low | 22.5 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -56.7 | 134.4 | 179 | -49.9 | 0 | 0 | 0 | 0 | 112 | T1199 | T1197-T1199 PolarHBondContact O-N 3.25Š| ||
| 1198 | V | 24.1 | Very low | 22.6 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -47.3 | 110.9 | 179.8 | 176.7 | 0 | 0 | 0 | 0 | 112 | S1200 | V1198-S1200 PolarHBondContact O-N 2.9Š| ||
| 1199 | T | 22.9 | Very low | 22.7 | Very low | 127 Ų | 127 | 145 Ų | 145 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -76.3 | 117.4 | 170.8 | -38.9 | 0 | 0 | 0 | 0 | 109.5 | T1197 | T1197-T1199 PolarHBondContact O-N 3.25Š| ||
| 1200 | S | 21.6 | Very low | 22.5 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -45.6 | 127.6 | 166.9 | 42 | 0 | 0 | 0 | 0 | 113.5 | V1198 T1202 | V1198-S1200 PolarHBondContact O-N 2.9Å; S1200-T1202 PolarHBondContact O-N 2.87Å | ||
| 1201 | L | 22.6 | Very low | 22.6 | Very low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -60.8 | 117.3 | 164.8 | -76 | 156.7 | 0 | 0 | 0 | 109.9 | ||||
| 1202 | T | 21.8 | Very low | 22.7 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -76.1 | 116.6 | 169.3 | 47.8 | 0 | 0 | 0 | 0 | 110 | S1200 | S1200-T1202 PolarHBondContact O-N 2.87Š| ||
| 1203 | T | 25.2 | Very low | 22.7 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | -125.8 | 116.9 | 152.6 | -20 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1204 | E | 21.4 | Very low | 22.7 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -75.2 | 143.5 | -164.6 | -64.5 | 177.5 | 138.2 | 0 | 0 | 114.3 | ||||
| 1205 | N | 22.3 | Very low | 22.8 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | 47.4 | 110.5 | 138 | -66 | -25.3 | 0 | 0 | 0 | 120.2 | ||||
| 1206 | S | 23.8 | Very low | 22.9 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | -169.1 | 127.7 | 111.1 | 40.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1207 | S | 21.5 | Very low | 22.9 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -65.9 | 130.4 | -178.5 | 52 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1208 | I | 23.7 | Very low | 23 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -140.3 | 126.6 | 141.5 | -59.1 | -175.3 | 0 | 0 | 0 | 109.4 | ||||
| 1209 | K | 23.1 | Very low | 23 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -58.5 | 142.8 | -176.2 | -71.3 | 167.2 | 173.4 | 174.2 | 0 | 113.4 | ||||
| 1210 | S | 20.4 | Very low | 23 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -16.5 | 126.6 | 141.1 | 37.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1211 | N | 23.4 | Very low | 23.1 | Very low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -150.4 | 108.5 | 142.7 | -94.6 | -19.6 | 0 | 0 | 0 | 109.2 | ||||
| 1212 | N | 23.2 | Very low | 23.1 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -51.6 | 145.7 | 152.9 | -71.8 | -32.5 | 0 | 0 | 0 | 109.6 | ||||
| 1213 | L | 22.8 | Very low | 23.2 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | 175.1 | 99.9 | 130.9 | -90.4 | 160.6 | 0 | 0 | 0 | 110.5 | ||||
| 1214 | I | 23.6 | Very low | 23.1 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | 17.6 | 114.1 | 132.1 | -51.6 | 167.7 | 0 | 0 | 0 | 115.5 | ||||
| 1215 | A | 24.8 | Very low | 23.1 | Very low | 103 Ų | 103 | 138 Ų | 138 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -126 | 109.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1216 | S | 23.8 | Very low | 23.2 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -61.4 | 139.8 | -176.5 | 37.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1217 | S | 21 | Very low | 23 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -49.1 | 139.7 | 165.6 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | T1219 | S1217-T1219 PolarHBondContact O-N 3.49Š| ||
| 1218 | P | 26.9 | Very low | 23 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -83.2 | 105.7 | 158.5 | 31.1 | -24.7 | 0 | 0 | 0 | 108.9 | V1220 | P1218-V1220 PolarHBondContact O-N 3.34Š| ||
| 1219 | T | 23.7 | Very low | 23 | Very low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | -61.8 | 111.7 | 162.9 | 42.5 | 0 | 0 | 0 | 0 | 109.9 | S1217 | S1217-T1219 PolarHBondContact O-N 3.49Š| ||
| 1220 | V | 23.6 | Very low | 23 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -103.4 | 95.8 | 157.6 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | P1218 | P1218-V1220 PolarHBondContact O-N 3.34Š| ||
| 1221 | T | 23.4 | Very low | 23.2 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 68% | 0.681 | 79% | 0.787 | S | S | * | * | trans | -61.6 | 121.9 | 166.6 | 46.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1222 | S | 22.8 | Very low | 23.2 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -132.5 | 90.8 | 154.6 | -147.7 | 0 | 0 | 0 | 0 | 108.3 | H1224 | S1222-H1224 PolarHBondContact O-N 2.89Š| ||
| 1223 | N | 22.7 | Very low | 23.3 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -65.2 | 106 | 171.3 | -73.6 | -25.4 | 0 | 0 | 0 | 108.7 | ||||
| 1224 | H | 23.8 | Very low | 23.4 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -109.7 | 91.4 | 154.8 | -111.2 | -72.6 | 0 | 0 | 0 | 108.7 | S1222 V1226 | S1222-H1224 PolarHBondContact O-N 2.89Å; H1224-V1226 PolarHBondContact O-N 3.48Å | ||
| 1225 | F | 21.2 | Very low | 23.4 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -71.1 | 106 | 171.9 | -142 | -94 | 0 | 0 | 0 | 107.8 | S1227 | F1225-S1227 WeakPolarHBondContact CE1-OG 3.43Š| ||
| 1226 | V | 23.2 | Very low | 23.5 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -126.6 | 96.6 | 158.6 | -175.4 | 0 | 0 | 0 | 0 | 106.6 | H1224 | H1224-V1226 PolarHBondContact O-N 3.48Š| ||
| 1227 | S | 20.7 | Very low | 23.7 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 55% | 0.552 | 76% | 0.763 | S | S | * | * | trans | -81.4 | 149.2 | 169.4 | -72.5 | 0 | 0 | 0 | 0 | 110.4 | F1225 | F1225-S1227 WeakPolarHBondContact CE1-OG 3.43Š| ||
| 1228 | S | 21.4 | Very low | 23.9 | Very low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | 70.1 | 105.9 | 155.9 | 68.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1229 | N | 22.9 | Very low | 23.9 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | -170.9 | 122.6 | 87.8 | -91.9 | -26.2 | 0 | 0 | 0 | 111.8 | |||||
| 1230 | L | 24.4 | Very low | 24.2 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -61.4 | 132.3 | 166.6 | -69.4 | 149.5 | 0 | 0 | 0 | 109.6 | ||||
| 1231 | N | 24.6 | Very low | 24.7 | Very low | 169 Ų | 169 | 124.7 Ų | 124.7 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | trans | -177.2 | 70.8 | 149.6 | -90.1 | -15 | 0 | 0 | 0 | 109.1 | ||||
| 1232 | E | 21.9 | Very low | 24.9 | Very low | 181 Ų | 181 | 124 Ų | 124 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -127 | 123.1 | 161 | -129.9 | 171.9 | -171 | 0 | 0 | 107 | V1234 | E1232-V1234 PolarHBondContact O-N 3.41Š| ||
| 1233 | P | 25.3 | Very low | 25.4 | Very low | 128 Ų | 128 | 127 Ų | 127 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | trans | -75.7 | 115.7 | -168.3 | 29.6 | -31 | 0 | 0 | 0 | 109.7 | A1235 | P1233-A1235 PolarHBondContact O-N 3.41Š| ||
| 1234 | V | 24.6 | Very low | 26.1 | Very low | 137 Ų | 137 | 123 Ų | 123 | 83% | 0.83 | 73% | 0.734 | S | S | * | * | trans | -64.5 | 120.9 | 175.3 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | E1232 | E1232-V1234 PolarHBondContact O-N 3.41Š| ||
| 1235 | A | 24.6 | Very low | 26.8 | Very low | 80 Ų | 80 | 119.6 Ų | 119.6 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | trans | -67.9 | 140.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1233 G1237 | P1233-A1235 PolarHBondContact O-N 3.41Å; A1235-G1237 PolarHBondContact O-N 3.21Å | ||
| 1236 | P | 26.6 | Very low | 27.9 | Very low | 101 Ų | 101 | 115.6 Ų | 115.6 | 66% | 0.656 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 114.9 | -172.3 | 30 | -31.9 | 0 | 0 | 0 | 110.9 | V1055 | V1055-P1236 HydrophobicContact CG2-CG 4.48Š|
| 1237 | G | 28.3 | Very low | 29 | Very low | 60 Ų | 60 | 117.2 Ų | 117.2 | 62% | 0.619 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.4 | -18.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1235 | A1235-G1237 PolarHBondContact O-N 3.21Š|
| 1238 | S | 25.5 | Very low | 29.8 | Very low | 96 Ų | 96 | 117.8 Ų | 117.8 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | trans | -133.3 | 60.6 | 179.3 | -163.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1239 | L | 26 | Very low | 31 | Very low | 159 Ų | 159 | 114 Ų | 114 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | trans | -130.9 | 93.5 | 173.8 | -160.2 | 85.4 | 0 | 0 | 0 | 110.7 | ||||
| 1240 | A | 31 | Very low | 32.4 | Very low | 62 Ų | 62 | 109 Ų | 109 | 51% | 0.512 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -156.8 | -3.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V1244 | A1240-V1244 WeakPolarHBondContact O-CG2 3.25Š|
| 1241 | A | 32.8 | Very low | 33.7 | Very low | 94 Ų | 94 | 104.2 Ų | 104.2 | 78% | 0.777 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -100.1 | -16 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1242 | S | 29.3 | Very low | 34.9 | Very low | 96 Ų | 96 | 97.4 Ų | 97.4 | 67% | 0.671 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -111.4 | 118.4 | 179.7 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1243 | I | 32 | Very low | 36.5 | Very low | 172 Ų | 172 | 92.3 Ų | 92.3 | 88% | 0.882 | 58% | 0.577 | S | S | * | * | trans | 81 | 48.8 | 179.7 | -35.1 | 167.1 | 0 | 0 | 0 | 114.1 | ||||
| 1244 | V | 37.5 | Very low | 38.1 | Very low | 59 Ų | 59 | 93.4 Ų | 93.4 | 36% | 0.358 | 57% | 0.571 | S | S | . | * | trans | -92 | 112 | 159.7 | -177.8 | 0 | 0 | 0 | 0 | 107.6 | A1240 K1248 A1249 | A1240-V1244 WeakPolarHBondContact O-CG2 3.25Å; V1244-K1248 HydrophobicContact CG1-CB 3.38Å; V1244-A1249 HydrophobicContact CG1-CB 4.04Å | ||
| 1245 | D | 37.9 | Very low | 39.5 | Very low | 104 Ų | 104 | 88.3 Ų | 88.3 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | trans | -49.6 | 138.6 | 173.2 | -158.6 | -10.2 | 0 | 0 | 0 | 109.8 | K1247 K1248 A1249 | D1245-K1247 PolarHBondContact O-N 3.44Å; D1245-K1248 HydrophobicContact CB-CD 4Å; D1245-K1248 HydrophobicContact CB-CG 4.07Å; D1245-K1248 WeakPolarHBondContact O-CA 3.46Å; D1245-K1248 VanDerWaalsContact O-CB 3.32Å; D1245-K1248 WeakPolarHBondContact O-CB 3.48Å; D1245-K1248 PolarHBondContact O-N 3.4Å; D1245-A1249 PolarHBondContact O-N 3.07Å | ||
| 1246 | S | 45.6 | Very low | 41.2 | Very low | 96 Ų | 96 | 85.3 Ų | 85.3 | 67% | 0.671 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -54 | -29.2 | -169.7 | 61 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1247 | K | 46 | Very low | 42.9 | Very low | 169 Ų | 169 | 82.6 Ų | 82.6 | 74% | 0.735 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.8 | -33.5 | 173.2 | -76.5 | -176.9 | 174.9 | 179.9 | 0 | 113.6 | D1245 | D1245-K1247 PolarHBondContact O-N 3.44Å |
| 1248 | K | 38 | Very low | 44.5 | Very low | 90 Ų | 90 | 84.1 Ų | 84.1 | 39% | 0.391 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73.5 | -34 | 179.4 | -64.3 | -178 | 176.5 | -134 | 0 | 112 | E1113 V1244 D1245 L1252 | E1113-K1248 WeakPolarHBondContact OE1-CD 3.38Å; E1113-K1248 WeakPolarHBondContact OE1-CE 3.28Å; E1113-K1248 WeakPolarHBondContact OE1-CG 3.14Å; E1113-K1248 IonicContact OE1-NZ 2.73Å; E1113-K1248 PolarHBondContact OE1-NZ 3.46Å; V1244-K1248 HydrophobicContact CG1-CB 3.38Å; D1245-K1248 HydrophobicContact CB-CD 4Å; D1245-K1248 HydrophobicContact CB-CG 4.07Å; D1245-K1248 WeakPolarHBondContact O-CA 3.46Å; D1245-K1248 VanDerWaalsContact O-CB 3.32Å; D1245-K1248 WeakPolarHBondContact O-CB 3.48Å; D1245-K1248 PolarHBondContact O-N 3.4Å; K1248-L1252 PolarHBondContact O-N 3.09Å |
| 1249 | A | 47.1 | Very low | 46.3 | Very low | 18 Ų | 18 | 79.8 Ų | 79.8 | 15% | 0.149 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.7 | -36.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1161 V1244 D1245 L1252 Q1253 | I1161-A1249 HydrophobicContact CG2-CB 4.36Å; V1244-A1249 HydrophobicContact CG1-CB 4.04Å; D1245-A1249 PolarHBondContact O-N 3.07Å; A1249-L1252 WeakPolarHBondContact O-CB 3.3Å; A1249-L1252 PolarHBondContact O-N 3.5Å; A1249-Q1253 WeakPolarHBondContact O-CB 3.38Å; A1249-Q1253 PolarHBondContact O-N 3.49Å |
| 1250 | A | 52.2 | Low | 48.1 | Very low | 54 Ų | 54 | 73.7 Ų | 73.7 | 45% | 0.446 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q1253 E1254 | A1250-Q1253 PolarHBondContact O-N 3.43Å; A1250-E1254 PolarHBondContact O-N 3.17Å |
| 1251 | V | 50.2 | Low | 49.9 | Very low | 63 Ų | 63 | 72.3 Ų | 72.3 | 38% | 0.382 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | Q1253 E1254 V1255 | V1251-Q1253 VanDerWaalsContact C-N 3.28Å; V1251-Q1253 PolarHBondContact O-N 2.84Å; V1251-E1254 PolarHBondContact O-N 3.47Å; V1251-V1255 HydrophobicContact CG1-CG2 4.49Å; V1251-V1255 WeakPolarHBondContact O-CG2 3.12Å; V1251-V1255 PolarHBondContact O-N 2.91Å; V1251-V1255 VanDerWaalsContact O-N 3.12Å |
| 1252 | L | 49.4 | Very low | 51.7 | Low | 26 Ų | 26 | 74.8 Ų | 74.8 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 172.9 | -138 | 117.1 | 0 | 0 | 0 | 111.1 | P1112 K1248 A1249 M1256 | P1112-L1252 HydrophobicContact CB-CD1 3.35Å; P1112-L1252 HydrophobicContact CB-CG 4.1Å; P1112-L1252 HydrophobicContact CG-CD1 3.19Å; P1112-L1252 HydrophobicContact CG-CG 4.4Å; K1248-L1252 PolarHBondContact O-N 3.09Å; A1249-L1252 WeakPolarHBondContact O-CB 3.3Å; A1249-L1252 PolarHBondContact O-N 3.5Å; L1252-M1256 HydrophobicContact CB-SD 4.38Å; L1252-M1256 HydrophobicContact CD2-CE 4.26Å; L1252-M1256 HydrophobicContact CD2-SD 3.29Å; L1252-M1256 WeakPolarHBondContact CD2-SD 3.38Å; L1252-M1256 HydrophobicContact CG-SD 3.64Å; L1252-M1256 WeakPolarHBondContact O-CB 3.16Å; L1252-M1256 WeakPolarHBondContact O-CG 3.48Å; L1252-M1256 PolarHBondContact O-N 2.79Å; L1252-M1256 VanDerWaalsContact O-SD 3.36Å |
| 1253 | Q | 55.8 | Low | 53.9 | Low | 74 Ų | 74 | 74 Ų | 74 | 35% | 0.346 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.7 | -36.1 | -178 | -172.9 | 162.1 | 4.5 | 0 | 0 | 113.1 | T1158 S1162 A1249 A1250 V1251 G1257 | T1158-Q1253 HydrophobicContact CG2-CB 4.35Å; T1158-Q1253 HydrophobicContact CG2-CG 4.05Å; S1162-Q1253 PolarHBondContact OG-NE2 3.22Å; A1249-Q1253 WeakPolarHBondContact O-CB 3.38Å; A1249-Q1253 PolarHBondContact O-N 3.49Å; A1250-Q1253 PolarHBondContact O-N 3.43Å; V1251-Q1253 VanDerWaalsContact C-N 3.28Å; V1251-Q1253 PolarHBondContact O-N 2.84Å; Q1253-G1257 PolarHBondContact O-N 2.62Å |
| 1254 | E | 59.7 | Low | 56.1 | Low | 152 Ų | 152 | 66 Ų | 66 | 71% | 0.71 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.4 | -50.8 | 176.5 | -171 | 174.5 | -173.1 | 0 | 0 | 111.6 | A1250 V1251 M1256 G1257 | A1250-E1254 PolarHBondContact O-N 3.17Å; V1251-E1254 PolarHBondContact O-N 3.47Å; E1254-M1256 PolarHBondContact O-N 3.2Å; E1254-G1257 PolarHBondContact O-N 3.27Å |
| 1255 | V | 54.9 | Low | 58.2 | Low | 30 Ų | 30 | 65.8 Ų | 65.8 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68 | -35.2 | -178.8 | 179.6 | 0 | 0 | 0 | 0 | 112 | M1115 I1120 V1251 | M1115-V1255 HydrophobicContact CB-CG1 3.87Å; M1115-V1255 HydrophobicContact CG-CG1 3.72Å; M1115-V1255 HydrophobicContact SD-CG1 4.02Å; I1120-V1255 HydrophobicContact CD1-CG1 4.26Å; V1251-V1255 HydrophobicContact CG1-CG2 4.49Å; V1251-V1255 WeakPolarHBondContact O-CG2 3.12Å; V1251-V1255 PolarHBondContact O-N 2.91Å; V1251-V1255 VanDerWaalsContact O-N 3.12Å |
| 1256 | M | 59.1 | Low | 60.3 | Low | 16 Ų | 16 | 63.6 Ų | 63.6 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -82.3 | -16.8 | 177.3 | -64.6 | 165.3 | 65.3 | 0 | 0 | 113.4 | A1154 T1158 L1252 E1254 E1258 T1259 G1260 | A1154-M1256 HydrophobicContact CB-CE 3.42Å; A1154-M1256 VanDerWaalsContact CB-CE 3.42Å; A1154-M1256 WeakPolarHBondContact O-CE 3.47Å; T1158-M1256 WeakPolarHBondContact OG1-CE 3.25Å; T1158-M1256 PolarHBondContact OG1-SD 3.5Å; L1252-M1256 HydrophobicContact CB-SD 4.38Å; L1252-M1256 HydrophobicContact CD2-CE 4.26Å; L1252-M1256 HydrophobicContact CD2-SD 3.29Å; L1252-M1256 WeakPolarHBondContact CD2-SD 3.38Å; L1252-M1256 HydrophobicContact CG-SD 3.64Å; L1252-M1256 WeakPolarHBondContact O-CB 3.16Å; L1252-M1256 WeakPolarHBondContact O-CG 3.48Å; L1252-M1256 PolarHBondContact O-N 2.79Å; L1252-M1256 VanDerWaalsContact O-SD 3.36Å; E1254-M1256 PolarHBondContact O-N 3.2Å; M1256-E1258 VanDerWaalsContact C-N 3.29Å; M1256-E1258 PolarHBondContact O-N 2.91Å; M1256-T1259 WeakPolarHBondContact CA-OG1 3.19Å; M1256-T1259 PolarHBondContact O-N 3.21Å; M1256-T1259 PolarHBondContact O-OG1 3.21Å; M1256-G1260 PolarHBondContact O-N 3.06Å |
| 1257 | G | 62.9 | Low | 62 | Low | 45 Ų | 45 | 59.9 Ų | 59.9 | 46% | 0.464 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | Q1253 E1254 G1260 S1261 | Q1253-G1257 PolarHBondContact O-N 2.62Å; E1254-G1257 PolarHBondContact O-N 3.27Å; G1257-G1260 CarbonylContact O-C 3.49Å; G1257-G1260 PolarHBondContact O-N 3.36Å; G1257-S1261 PolarHBondContact O-N 2.84Å |
| 1258 | E | 61.7 | Low | 63.9 | Low | 92 Ų | 92 | 52 Ų | 52 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.9 | -38.6 | 176.3 | -76.7 | -162.2 | -175.1 | 0 | 0 | 113.4 | Q1117 I1120 M1256 G1260 S1261 | Q1117-E1258 PolarHBondContact NE2-OE2 3.15Å; Q1117-E1258 PolarHBondContact OE1-OE2 2.97Å; I1120-E1258 HydrophobicContact CD1-CB 3.8Å; M1256-E1258 VanDerWaalsContact C-N 3.29Å; M1256-E1258 PolarHBondContact O-N 2.91Å; E1258-G1260 PolarHBondContact O-N 3.21Å; E1258-S1261 WeakPolarHBondContact O-CB 3.29Å; E1258-S1261 PolarHBondContact O-N 3.44Å; E1258-S1261 VanDerWaalsContact O-N 3.07Å; E1258-S1261 PolarHBondContact O-OG 3.34Å |
| 1259 | T | 64.1 | Low | 66.2 | Low | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.1 | -26.6 | 172.9 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | M1115 I1120 I1123 L1151 H1155 M1256 S1261 V1264 | M1115-T1259 HydrophobicContact CE-CG2 4.01Å; I1120-T1259 HydrophobicContact CB-CG2 4.5Å; I1120-T1259 HydrophobicContact CD1-CG2 4.33Å; I1120-T1259 HydrophobicContact CG1-CG2 3.89Å; I1120-T1259 HydrophobicContact CG2-CG2 4.2Å; I1123-T1259 HydrophobicContact CD1-CG2 4.19Å; L1151-T1259 HydrophobicContact CD1-CG2 4.42Å; H1155-T1259 PolarHBondContact CE1-O 3.28Å; H1155-T1259 PolarHBondContact NE2-O 3.05Å; H1155-T1259 PolarHBondContact NE2-OG1 3.23Å; H1155-T1259 VanDerWaalsContact NE2-OG1 3.13Å; M1256-T1259 WeakPolarHBondContact CA-OG1 3.19Å; M1256-T1259 PolarHBondContact O-N 3.21Å; M1256-T1259 PolarHBondContact O-OG1 3.21Å; T1259-S1261 PolarHBondContact O-N 2.91Å; T1259-V1264 WeakPolarHBondContact O-CB 3.44Å; T1259-V1264 WeakPolarHBondContact O-CG1 3.27Å |
| 1260 | G | 61.9 | Low | 68.2 | Low | 31 Ų | 31 | 56 Ų | 56 | 32% | 0.32 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 4.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | H1155 M1256 G1257 E1258 Q1262 | H1155-G1260 WeakPolarHBondContact NE2-CA 3.32Å; H1155-G1260 PolarHBondContact NE2-N 3.38Å; M1256-G1260 PolarHBondContact O-N 3.06Å; G1257-G1260 CarbonylContact O-C 3.49Å; G1257-G1260 PolarHBondContact O-N 3.36Å; E1258-G1260 PolarHBondContact O-N 3.21Å; G1260-Q1262 PolarHBondContact O-N 2.75Å |
| 1261 | S | 68.9 | Low | 69.9 | Low | 34 Ų | 34 | 53.9 Ų | 53.9 | 24% | 0.238 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -55.2 | 137.4 | 174.9 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | G1257 E1258 T1259 S1263 V1264 V1265 | G1257-S1261 PolarHBondContact O-N 2.84Å; E1258-S1261 WeakPolarHBondContact O-CB 3.29Å; E1258-S1261 PolarHBondContact O-N 3.44Å; E1258-S1261 VanDerWaalsContact O-N 3.07Å; E1258-S1261 PolarHBondContact O-OG 3.34Å; T1259-S1261 PolarHBondContact O-N 2.91Å; S1261-S1263 PolarHBondContact O-N 3.16Å; S1261-S1263 PolarHBondContact OG-OG 3.23Å; S1261-V1264 PolarHBondContact O-N 2.99Å; S1261-V1264 WeakPolarHBondContact OG-CG2 3.32Å; S1261-V1265 PolarHBondContact O-N 3.37Å |
| 1262 | Q | 72.5 | Confident | 72 | Confident | 146 Ų | 146 | 51 Ų | 51 | 68% | 0.682 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -50.8 | -31.8 | -179.4 | -175.2 | 66.9 | -0.8 | 0 | 0 | 112.2 | G1260 V1266 | G1260-Q1262 PolarHBondContact O-N 2.75Å; Q1262-V1266 HydrophobicContact CG-CG2 4.22Å; Q1262-V1266 VanDerWaalsContact O-CB 3.23Å; Q1262-V1266 WeakPolarHBondContact O-CB 3.32Å; Q1262-V1266 WeakPolarHBondContact O-CG2 3.33Å; Q1262-V1266 PolarHBondContact O-N 2.95Å |
| 1263 | S | 75 | Confident | 73.9 | Confident | 78 Ų | 78 | 52 Ų | 52 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 175.2 | 49.3 | 0 | 0 | 0 | 0 | 114 | S1261 A1267 | S1261-S1263 PolarHBondContact O-N 3.16Å; S1261-S1263 PolarHBondContact OG-OG 3.23Å; S1263-A1267 VanDerWaalsContact O-CB 3.22Å; S1263-A1267 WeakPolarHBondContact O-CB 3.47Å; S1263-A1267 PolarHBondContact O-N 3.04Å |
| 1264 | V | 78.7 | Confident | 75.3 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.4 | -44.7 | -178.8 | 173.7 | 0 | 0 | 0 | 0 | 109.7 | I1127 L1151 T1259 S1261 V1266 A1267 V1268 | I1127-V1264 HydrophobicContact CD1-CG1 3.88Å; L1151-V1264 HydrophobicContact CD2-CG1 4.22Å; T1259-V1264 WeakPolarHBondContact O-CB 3.44Å; T1259-V1264 WeakPolarHBondContact O-CG1 3.27Å; S1261-V1264 PolarHBondContact O-N 2.99Å; S1261-V1264 WeakPolarHBondContact OG-CG2 3.32Å; V1264-V1266 PolarHBondContact O-N 3.44Å; V1264-A1267 PolarHBondContact O-N 3.38Å; V1264-A1267 VanDerWaalsContact O-N 3.07Å; V1264-V1268 HydrophobicContact CG1-CG2 4.43Å; V1264-V1268 WeakPolarHBondContact O-CG2 3.09Å; V1264-V1268 PolarHBondContact O-N 3.32Å |
| 1265 | V | 80.2 | Confident | 76.9 | Confident | 53 Ų | 53 | 42.2 Ų | 42.2 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | S1261 A1267 V1268 D1269 | S1261-V1265 PolarHBondContact O-N 3.37Å; V1265-A1267 VanDerWaalsContact C-N 3.3Å; V1265-A1267 PolarHBondContact O-N 2.84Å; V1265-V1268 PolarHBondContact O-N 3.43Å; V1265-D1269 WeakPolarHBondContact O-CB 3.37Å; V1265-D1269 PolarHBondContact O-N 3.29Å |
| 1266 | V | 82.1 | Confident | 78.5 | Confident | 58 Ų | 58 | 45.6 Ų | 45.6 | 35% | 0.352 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.5 | -35.9 | 175.6 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | Q1262 V1264 K1270 | Q1262-V1266 HydrophobicContact CG-CG2 4.22Å; Q1262-V1266 VanDerWaalsContact O-CB 3.23Å; Q1262-V1266 WeakPolarHBondContact O-CB 3.32Å; Q1262-V1266 WeakPolarHBondContact O-CG2 3.33Å; Q1262-V1266 PolarHBondContact O-N 2.95Å; V1264-V1266 PolarHBondContact O-N 3.44Å; V1266-K1270 HydrophobicContact CG1-CD 4.25Å; V1266-K1270 HydrophobicContact CG1-CG 4.48Å; V1266-K1270 WeakPolarHBondContact O-CB 3.15Å; V1266-K1270 WeakPolarHBondContact O-CG 3.36Å; V1266-K1270 PolarHBondContact O-N 3.35Å |
| 1267 | A | 82.3 | Confident | 79.7 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.6 | -37.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1127 Q1131 S1263 V1264 V1265 K1270 I1271 | I1127-A1267 HydrophobicContact CG2-CB 3.6Å; Q1131-A1267 PolarHBondContact NE2-O 3.45Å; S1263-A1267 VanDerWaalsContact O-CB 3.22Å; S1263-A1267 WeakPolarHBondContact O-CB 3.47Å; S1263-A1267 PolarHBondContact O-N 3.04Å; V1264-A1267 PolarHBondContact O-N 3.38Å; V1264-A1267 VanDerWaalsContact O-N 3.07Å; V1265-A1267 VanDerWaalsContact C-N 3.3Å; V1265-A1267 PolarHBondContact O-N 2.84Å; A1267-K1270 WeakPolarHBondContact O-CB 3.45Å; A1267-K1270 PolarHBondContact O-N 3.21Å; A1267-I1271 PolarHBondContact O-N 2.86Å |
| 1268 | V | 85.7 | Confident | 81 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 171.1 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | I1127 I1148 L1151 V1264 V1265 K1270 I1271 F1272 | I1127-V1268 HydrophobicContact CD1-CG2 3.66Å; I1127-V1268 HydrophobicContact CG1-CG2 4.28Å; I1148-V1268 HydrophobicContact CG2-CG1 3.59Å; L1151-V1268 HydrophobicContact CD2-CG2 4.36Å; V1264-V1268 HydrophobicContact CG1-CG2 4.43Å; V1264-V1268 WeakPolarHBondContact O-CG2 3.09Å; V1264-V1268 PolarHBondContact O-N 3.32Å; V1265-V1268 PolarHBondContact O-N 3.43Å; V1268-K1270 VanDerWaalsContact C-N 3.27Å; V1268-K1270 PolarHBondContact O-N 3.39Å; V1268-I1271 WeakPolarHBondContact O-CB 3.34Å; V1268-I1271 PolarHBondContact O-N 3.44Å; V1268-F1272 HydrophobicContact CG1-CD2 4.34Å; V1268-F1272 HydrophobicContact CG1-CE2 3.76Å; V1268-F1272 VanDerWaalsContact O-CD2 3.31Å; V1268-F1272 WeakPolarHBondContact O-CD2 3.33Å |
| 1269 | D | 86.5 | Confident | 82.2 | Confident | 68 Ų | 68 | 46.7 Ų | 46.7 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 177.7 | -166 | 60.3 | 0 | 0 | 0 | 111.6 | V1265 I1271 F1272 T1273 K1310 | V1265-D1269 WeakPolarHBondContact O-CB 3.37Å; V1265-D1269 PolarHBondContact O-N 3.29Å; D1269-I1271 PolarHBondContact O-N 3.33Å; D1269-F1272 PolarHBondContact O-N 3.34Å; D1269-T1273 PolarHBondContact O-N 2.8Å; D1269-T1273 PolarHBondContact O-OG1 2.79Å; D1269-K1310 IonicContact OD1-NZ 3.99Å; D1269-K1310 PolarHBondContact OD1-NZ 3.4Å |
| 1270 | K | 87.4 | Confident | 83.3 | Confident | 123 Ų | 123 | 47 Ų | 47 | 54% | 0.535 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58 | -28.8 | 174.1 | -81.9 | 176 | 179.3 | -174.2 | 0 | 114.4 | V1266 A1267 V1268 T1273 G1274 | V1266-K1270 HydrophobicContact CG1-CD 4.25Å; V1266-K1270 HydrophobicContact CG1-CG 4.48Å; V1266-K1270 WeakPolarHBondContact O-CB 3.15Å; V1266-K1270 WeakPolarHBondContact O-CG 3.36Å; V1266-K1270 PolarHBondContact O-N 3.35Å; A1267-K1270 WeakPolarHBondContact O-CB 3.45Å; A1267-K1270 PolarHBondContact O-N 3.21Å; V1268-K1270 VanDerWaalsContact C-N 3.27Å; V1268-K1270 PolarHBondContact O-N 3.39Å; K1270-T1273 WeakPolarHBondContact CA-OG1 3.27Å; K1270-T1273 PolarHBondContact O-OG1 3.46Å; K1270-G1274 VanDerWaalsContact O-CA 3.26Å; K1270-G1274 WeakPolarHBondContact O-CA 3.33Å; K1270-G1274 PolarHBondContact O-N 2.94Å |
| 1271 | I | 89.7 | Confident | 84.5 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 174.9 | -66.9 | 169.9 | 0 | 0 | 0 | 109.5 | I1127 A1130 Q1131 W1141 I1148 A1267 V1268 D1269 G1274 S1275 F1286 | I1127-I1271 HydrophobicContact CB-CD1 4.49Å; I1127-I1271 HydrophobicContact CG1-CD1 4.46Å; I1127-I1271 HydrophobicContact CG2-CD1 4.05Å; A1130-I1271 HydrophobicContact CB-CD1 3.63Å; A1130-I1271 HydrophobicContact CB-CG1 4.13Å; Q1131-I1271 HydrophobicContact CG-CG1 3.96Å; W1141-I1271 HydrophobicContact CH2-CG2 4.19Å; W1141-I1271 HydrophobicContact CZ3-CG2 4Å; I1148-I1271 HydrophobicContact CD1-CD1 3.67Å; A1267-I1271 PolarHBondContact O-N 2.86Å; V1268-I1271 WeakPolarHBondContact O-CB 3.34Å; V1268-I1271 PolarHBondContact O-N 3.44Å; D1269-I1271 PolarHBondContact O-N 3.33Å; I1271-G1274 PolarHBondContact O-N 3.39Å; I1271-S1275 PolarHBondContact O-N 3.02Å; I1271-F1286 HydrophobicContact CG2-CE2 3.9Å; I1271-F1286 HydrophobicContact CG2-CZ 4.38Å |
| 1272 | F | 93.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.7 | -45.7 | -178.3 | -60.3 | -67.6 | 0 | 0 | 0 | 111.9 | L1145 I1148 V1268 D1269 G1274 S1275 F1286 L1290 F1306 K1310 I1314 | L1145-F1272 HydrophobicContact CD2-CE1 3.97Å; L1145-F1272 HydrophobicContact CD2-CZ 4.28Å; I1148-F1272 HydrophobicContact CG2-CE2 4.06Å; I1148-F1272 HydrophobicContact CG2-CZ 3.96Å; V1268-F1272 HydrophobicContact CG1-CD2 4.34Å; V1268-F1272 HydrophobicContact CG1-CE2 3.76Å; V1268-F1272 VanDerWaalsContact O-CD2 3.31Å; V1268-F1272 WeakPolarHBondContact O-CD2 3.33Å; D1269-F1272 PolarHBondContact O-N 3.34Å; F1272-G1274 VanDerWaalsContact C-N 3.27Å; F1272-G1274 PolarHBondContact O-N 3.32Å; F1272-S1275 VanDerWaalsContact O-CB 3.23Å; F1272-S1275 WeakPolarHBondContact O-CB 3.34Å; F1272-S1275 PolarHBondContact O-N 3.43Å; F1272-S1275 PolarHBondContact O-OG 3.46Å; F1272-F1286 AromaticContact CD1-CZ 4Å; F1272-F1286 HydrophobicContact CD1-CZ 4Å; F1272-F1286 HydrophobicContact CE1-CZ 4.2Å; F1272-L1290 HydrophobicContact CE1-CD1 4.11Å; F1272-L1290 HydrophobicContact CE1-CD2 4.46Å; F1272-F1306 HydrophobicContact CE2-CZ 4.33Å; F1272-F1306 HydrophobicContact CZ-CZ 4.48Å; F1272-K1310 HydrophobicContact CD1-CB 4.03Å; F1272-K1310 HydrophobicContact CD1-CD 4.41Å; F1272-K1310 HydrophobicContact CD1-CG 4.2Å; F1272-K1310 HydrophobicContact CD2-CD 3.98Å; F1272-K1310 HydrophobicContact CD2-CG 4.22Å; F1272-K1310 HydrophobicContact CE1-CB 3.9Å; F1272-K1310 HydrophobicContact CE1-CG 4.01Å; F1272-K1310 HydrophobicContact CE2-CD 4.24Å; F1272-K1310 HydrophobicContact CE2-CG 4.03Å; F1272-K1310 HydrophobicContact CG-CD 4.06Å; F1272-K1310 HydrophobicContact CG-CG 4.3Å; F1272-K1310 HydrophobicContact CZ-CB 4.3Å; F1272-K1310 HydrophobicContact CZ-CG 3.91Å; F1272-I1314 HydrophobicContact CB-CD1 4.35Å; F1272-I1314 HydrophobicContact CB-CG1 4.41Å; F1272-I1314 HydrophobicContact CD1-CD1 3.52Å; F1272-I1314 HydrophobicContact CD1-CG1 4.42Å; F1272-I1314 HydrophobicContact CE1-CD1 4.3Å; F1272-I1314 HydrophobicContact CG-CD1 4.4Å |
| 1273 | T | 88.7 | Confident | 86.5 | Confident | 49 Ų | 49 | 41.8 Ų | 41.8 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.4 | -32.2 | 175.1 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | D1269 K1270 S1275 Y1317 | D1269-T1273 PolarHBondContact O-N 2.8Å; D1269-T1273 PolarHBondContact O-OG1 2.79Å; K1270-T1273 WeakPolarHBondContact CA-OG1 3.27Å; K1270-T1273 PolarHBondContact O-OG1 3.46Å; T1273-S1275 PolarHBondContact O-N 2.9Å; T1273-Y1317 HydrophobicContact CG2-CE2 3.96Å |
| 1274 | G | 87.2 | Confident | 87.4 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -73.8 | -7.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1270 I1271 F1272 I1276 R1277 | K1270-G1274 VanDerWaalsContact O-CA 3.26Å; K1270-G1274 WeakPolarHBondContact O-CA 3.33Å; K1270-G1274 PolarHBondContact O-N 2.94Å; I1271-G1274 PolarHBondContact O-N 3.39Å; F1272-G1274 VanDerWaalsContact C-N 3.27Å; F1272-G1274 PolarHBondContact O-N 3.32Å; G1274-I1276 PolarHBondContact O-N 3.37Å; G1274-R1277 WeakPolarHBondContact O-CB 3.08Å; G1274-R1277 PolarHBondContact O-N 3.38Å |
| 1275 | S | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -55.1 | -27.2 | 178.6 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | I1271 F1272 T1273 R1277 L1278 N1318 R1321 | I1271-S1275 PolarHBondContact O-N 3.02Å; F1272-S1275 VanDerWaalsContact O-CB 3.23Å; F1272-S1275 WeakPolarHBondContact O-CB 3.34Å; F1272-S1275 PolarHBondContact O-N 3.43Å; F1272-S1275 PolarHBondContact O-OG 3.46Å; T1273-S1275 PolarHBondContact O-N 2.9Å; S1275-R1277 PolarHBondContact O-N 3.27Å; S1275-L1278 WeakPolarHBondContact O-CB 3.1Å; S1275-L1278 PolarHBondContact O-N 2.97Å; S1275-N1318 PolarHBondContact O-OD1 3.1Å; S1275-N1318 PolarHBondContact OG-ND2 3.23Å; S1275-R1321 PolarHBondContact O-NH2 3.16Å |
| 1276 | I | 88.9 | Confident | 88.7 | Confident | 100 Ų | 100 | 38.4 Ų | 38.4 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -62.5 | -24.4 | 173.4 | -166.4 | 170.3 | 0 | 0 | 0 | 113.5 | G1274 R1321 | G1274-I1276 PolarHBondContact O-N 3.37Å; I1276-R1321 VanDerWaalsContact C-NH2 3.29Å; I1276-R1321 PolarHBondContact O-NH2 3.24Å |
| 1277 | R | 85.1 | Confident | 89.4 | Confident | 91 Ų | 91 | 35.8 Ų | 35.8 | 34% | 0.343 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -87 | -9.8 | 179.5 | -63.2 | 172.6 | 53.2 | -147.7 | -23.3 | 113.2 | P688 G1274 S1275 | P688-R1277 PolarHBondContact O-NE 3.06Å; P688-R1277 PolarHBondContact O-NH2 3.45Å; G1274-R1277 WeakPolarHBondContact O-CB 3.08Å; G1274-R1277 PolarHBondContact O-N 3.38Å; S1275-R1277 PolarHBondContact O-N 3.27Å |
| 1278 | L | 89.6 | Confident | 90 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -67.8 | 144.8 | 173.4 | -63.9 | 178.4 | 0 | 0 | 0 | 110 | G1134 N1135 W1141 S1275 A1282 I1283 F1286 R1321 | G1134-L1278 VanDerWaalsContact C-CD2 3.48Å; N1135-L1278 VanDerWaalsContact OD1-CA 3.23Å; N1135-L1278 WeakPolarHBondContact OD1-CA 2.9Å; W1141-L1278 HydrophobicContact CZ2-CD1 4.15Å; W1141-L1278 HydrophobicContact CZ2-CD2 4.11Å; S1275-L1278 WeakPolarHBondContact O-CB 3.1Å; S1275-L1278 PolarHBondContact O-N 2.97Å; L1278-A1282 HydrophobicContact CB-CB 4.37Å; L1278-I1283 HydrophobicContact CB-CB 4.02Å; L1278-I1283 HydrophobicContact CD1-CD1 4.03Å; L1278-F1286 HydrophobicContact CD1-CB 3.88Å; L1278-F1286 HydrophobicContact CD1-CD2 4.05Å; L1278-F1286 HydrophobicContact CD1-CG 3.89Å; L1278-R1321 PolarHBondContact O-NH1 3.43Å; L1278-R1321 PolarHBondContact O-NH2 3.16Å |
| 1279 | N | 87.2 | Confident | 90.5 | Very high | 69 Ų | 69 | 39.3 Ų | 39.3 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | trans | -71.2 | 172.5 | 172.6 | 71 | 21.1 | 0 | 0 | 0 | 110.9 | N1135 D1281 A1282 I1283 | N1135-N1279 PolarHBondContact OD1-N 3.38Å; N1279-D1281 VanDerWaalsContact C-N 3.35Å; N1279-D1281 PolarHBondContact O-N 3.33Å; N1279-D1281 PolarHBondContact OD1-N 2.9Å; N1279-A1282 PolarHBondContact O-N 2.78Å; N1279-A1282 WeakPolarHBondContact OD1-CB 3.45Å; N1279-A1282 PolarHBondContact OD1-N 3.06Å; N1279-I1283 VanDerWaalsContact O-CG2 3.26Å; N1279-I1283 WeakPolarHBondContact O-CG2 3.47Å; N1279-I1283 PolarHBondContact O-N 3.41Å | ||
| 1280 | G | 85.9 | Confident | 90.9 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -34.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I1283 V1284 Q1325 | G1280-I1283 WeakPolarHBondContact O-CG2 3.36Å; G1280-V1284 WeakPolarHBondContact O-CG2 3.16Å; G1280-Q1325 VanDerWaalsContact CA-CD 3.41Å |
| 1281 | D | 87.3 | Confident | 91.3 | Very high | 96 Ų | 96 | 30.9 Ų | 30.9 | 51% | 0.513 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -84.4 | -39.4 | 179 | -67.4 | -47.8 | 0 | 0 | 0 | 111.8 | N1279 I1283 V1284 E1285 R1328 | N1279-D1281 VanDerWaalsContact C-N 3.35Å; N1279-D1281 PolarHBondContact O-N 3.33Å; N1279-D1281 PolarHBondContact OD1-N 2.9Å; D1281-I1283 PolarHBondContact O-N 3.35Å; D1281-V1284 PolarHBondContact O-N 3.34Å; D1281-E1285 PolarHBondContact O-N 3.13Å; D1281-R1328 IonicContact OD1-CZ 3.62Å; D1281-R1328 VanDerWaalsContact OD1-CZ 3.25Å; D1281-R1328 IonicContact OD1-NH1 3.15Å; D1281-R1328 PolarHBondContact OD1-NH1 3.5Å; D1281-R1328 IonicContact OD1-NH2 2.71Å; D1281-R1328 PolarHBondContact OD1-NH2 3.37Å |
| 1282 | A | 91 | Very high | 91.6 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1278 N1279 V1284 E1285 F1286 | L1278-A1282 HydrophobicContact CB-CB 4.37Å; N1279-A1282 PolarHBondContact O-N 2.78Å; N1279-A1282 WeakPolarHBondContact OD1-CB 3.45Å; N1279-A1282 PolarHBondContact OD1-N 3.06Å; A1282-V1284 VanDerWaalsContact C-N 3.27Å; A1282-V1284 PolarHBondContact O-N 2.96Å; A1282-E1285 PolarHBondContact O-N 2.92Å; A1282-F1286 VanDerWaalsContact O-CB 3.27Å; A1282-F1286 WeakPolarHBondContact O-CB 3.25Å; A1282-F1286 PolarHBondContact O-N 2.9Å |
| 1283 | I | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -33.1 | 176.2 | -173 | 57.8 | 0 | 0 | 0 | 111.8 | L1278 N1279 G1280 D1281 F1286 V1287 I1314 I1329 | L1278-I1283 HydrophobicContact CB-CB 4.02Å; L1278-I1283 HydrophobicContact CD1-CD1 4.03Å; N1279-I1283 VanDerWaalsContact O-CG2 3.26Å; N1279-I1283 WeakPolarHBondContact O-CG2 3.47Å; N1279-I1283 PolarHBondContact O-N 3.41Å; G1280-I1283 WeakPolarHBondContact O-CG2 3.36Å; D1281-I1283 PolarHBondContact O-N 3.35Å; I1283-F1286 HydrophobicContact CD1-CD1 4.1Å; I1283-F1286 PolarHBondContact O-N 2.79Å; I1283-V1287 HydrophobicContact CD1-CG2 3.99Å; I1283-V1287 HydrophobicContact CG1-CG2 4.16Å; I1283-V1287 VanDerWaalsContact O-CB 3.29Å; I1283-V1287 WeakPolarHBondContact O-CB 3.28Å; I1283-V1287 WeakPolarHBondContact O-CG2 3.35Å; I1283-V1287 PolarHBondContact O-N 2.59Å; I1283-I1314 HydrophobicContact CD1-CG2 4.48Å; I1283-I1329 HydrophobicContact CB-CD1 4.39Å; I1283-I1329 HydrophobicContact CG1-CD1 3.76Å; I1283-I1329 HydrophobicContact CG1-CG1 4.27Å; I1283-I1329 HydrophobicContact CG2-CD1 3.63Å; I1283-I1329 HydrophobicContact CG2-CG1 4.02Å |
| 1284 | V | 93.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 32 Ų | 32 | 5% | 0.048 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68 | -47.1 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | G1280 D1281 A1282 F1286 V1287 K1288 R1328 I1329 | G1280-V1284 WeakPolarHBondContact O-CG2 3.16Å; D1281-V1284 PolarHBondContact O-N 3.34Å; A1282-V1284 VanDerWaalsContact C-N 3.27Å; A1282-V1284 PolarHBondContact O-N 2.96Å; V1284-F1286 VanDerWaalsContact C-N 3.34Å; V1284-F1286 PolarHBondContact O-N 3.38Å; V1284-V1287 PolarHBondContact O-N 2.52Å; V1284-K1288 VanDerWaalsContact O-CB 3.23Å; V1284-K1288 WeakPolarHBondContact O-CB 3.14Å; V1284-K1288 PolarHBondContact O-N 3.16Å; V1284-R1328 HydrophobicContact CG2-CB 3.78Å; V1284-I1329 HydrophobicContact CG2-CG1 3.97Å |
| 1285 | E | 92 | Very high | 92.2 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 28% | 0.276 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 175.3 | -70.9 | -61.8 | 138.1 | 0 | 0 | 111.9 | D1281 A1282 K1288 A1289 | D1281-E1285 PolarHBondContact O-N 3.13Å; A1282-E1285 PolarHBondContact O-N 2.92Å; E1285-K1288 PolarHBondContact O-N 2.76Å; E1285-A1289 VanDerWaalsContact O-CB 3.31Å; E1285-A1289 WeakPolarHBondContact O-CB 3.34Å; E1285-A1289 PolarHBondContact O-N 3.13Å |
| 1286 | F | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.4 | -48.9 | 174.3 | 175.7 | -81.2 | 0 | 0 | 0 | 111.9 | W1141 L1145 I1271 F1272 L1278 A1282 I1283 V1284 A1289 L1290 I1314 | W1141-F1286 HydrophobicContact CD2-CB 4.35Å; W1141-F1286 AromaticContact CD2-CD2 3.53Å; W1141-F1286 HydrophobicContact CD2-CD2 3.53Å; W1141-F1286 HydrophobicContact CD2-CE2 4.32Å; W1141-F1286 HydrophobicContact CD2-CG 4.41Å; W1141-F1286 AromaticContact CE2-CD2 3.65Å; W1141-F1286 AromaticContact CE3-CD2 3.48Å; W1141-F1286 HydrophobicContact CE3-CD2 3.48Å; W1141-F1286 VanDerWaalsContact CE3-CD2 3.48Å; W1141-F1286 AromaticContact CE3-CE2 3.81Å; W1141-F1286 HydrophobicContact CE3-CE2 3.81Å; W1141-F1286 HydrophobicContact CG-CB 4.26Å; W1141-F1286 HydrophobicContact CG-CD2 4.19Å; W1141-F1286 AromaticContact CH2-CD2 3.71Å; W1141-F1286 HydrophobicContact CH2-CD2 3.71Å; W1141-F1286 AromaticContact CH2-CE2 3.92Å; W1141-F1286 HydrophobicContact CH2-CE2 3.92Å; W1141-F1286 AromaticContact CZ2-CD2 3.73Å; W1141-F1286 HydrophobicContact CZ2-CD2 3.73Å; W1141-F1286 HydrophobicContact CZ2-CE2 4.4Å; W1141-F1286 AromaticContact CZ3-CD2 3.59Å; W1141-F1286 HydrophobicContact CZ3-CD2 3.59Å; W1141-F1286 AromaticContact CZ3-CE2 3.6Å; W1141-F1286 HydrophobicContact CZ3-CE2 3.6Å; L1145-F1286 HydrophobicContact CD1-CD2 4.42Å; L1145-F1286 HydrophobicContact CD1-CE2 4.23Å; L1145-F1286 HydrophobicContact CD1-CZ 4.42Å; L1145-F1286 HydrophobicContact CD2-CE2 3.93Å; L1145-F1286 HydrophobicContact CD2-CZ 4.03Å; L1145-F1286 HydrophobicContact CG-CE2 4.48Å; I1271-F1286 HydrophobicContact CG2-CE2 3.9Å; I1271-F1286 HydrophobicContact CG2-CZ 4.38Å; F1272-F1286 AromaticContact CD1-CZ 4Å; F1272-F1286 HydrophobicContact CD1-CZ 4Å; F1272-F1286 HydrophobicContact CE1-CZ 4.2Å; L1278-F1286 HydrophobicContact CD1-CB 3.88Å; L1278-F1286 HydrophobicContact CD1-CD2 4.05Å; L1278-F1286 HydrophobicContact CD1-CG 3.89Å; A1282-F1286 VanDerWaalsContact O-CB 3.27Å; A1282-F1286 WeakPolarHBondContact O-CB 3.25Å; A1282-F1286 PolarHBondContact O-N 2.9Å; I1283-F1286 HydrophobicContact CD1-CD1 4.1Å; I1283-F1286 PolarHBondContact O-N 2.79Å; V1284-F1286 VanDerWaalsContact C-N 3.34Å; V1284-F1286 PolarHBondContact O-N 3.38Å; F1286-A1289 PolarHBondContact O-N 2.87Å; F1286-L1290 HydrophobicContact CE1-CD2 4.13Å; F1286-L1290 WeakPolarHBondContact O-CB 3.46Å; F1286-L1290 PolarHBondContact O-N 3.3Å; F1286-I1314 HydrophobicContact CE1-CD1 3.42Å; F1286-I1314 VanDerWaalsContact CE1-CD1 3.42Å; F1286-I1314 HydrophobicContact CZ-CD1 3.93Å |
| 1287 | V | 95.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66 | -42.9 | -179.3 | 165.6 | 0 | 0 | 0 | 0 | 110.8 | I1283 V1284 A1289 L1290 C1291 I1314 I1329 H1332 I1333 | I1283-V1287 HydrophobicContact CD1-CG2 3.99Å; I1283-V1287 HydrophobicContact CG1-CG2 4.16Å; I1283-V1287 VanDerWaalsContact O-CB 3.29Å; I1283-V1287 WeakPolarHBondContact O-CB 3.28Å; I1283-V1287 WeakPolarHBondContact O-CG2 3.35Å; I1283-V1287 PolarHBondContact O-N 2.59Å; V1284-V1287 PolarHBondContact O-N 2.52Å; V1287-A1289 VanDerWaalsContact C-N 3.33Å; V1287-A1289 PolarHBondContact O-N 3Å; V1287-L1290 PolarHBondContact O-N 3.46Å; V1287-C1291 WeakPolarHBondContact O-CB 3.47Å; V1287-C1291 PolarHBondContact O-N 3.09Å; V1287-C1291 PolarHBondContact O-SG 3.2Å; V1287-C1291 VanDerWaalsContact O-SG 3.35Å; V1287-I1314 HydrophobicContact CG2-CG2 4.18Å; V1287-I1329 HydrophobicContact CG1-CG2 4.2Å; V1287-I1329 HydrophobicContact CG2-CG2 4.01Å; V1287-H1332 HydrophobicContact CG1-CB 4.12Å; V1287-I1333 HydrophobicContact CG1-CD1 3.84Å; V1287-I1333 HydrophobicContact CG1-CG1 3.46Å; V1287-I1333 VanDerWaalsContact CG1-CG1 3.46Å |
| 1288 | K | 95.4 | Very high | 92.4 | Very high | 90 Ų | 90 | 29 Ų | 29 | 39% | 0.391 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 176.3 | 179.6 | -178.7 | 174.9 | -173.3 | 0 | 111.3 | V1284 E1285 Q1292 | V1284-K1288 VanDerWaalsContact O-CB 3.23Å; V1284-K1288 WeakPolarHBondContact O-CB 3.14Å; V1284-K1288 PolarHBondContact O-N 3.16Å; E1285-K1288 PolarHBondContact O-N 2.76Å; K1288-Q1292 WeakPolarHBondContact O-CB 3.09Å; K1288-Q1292 PolarHBondContact O-N 2.74Å |
| 1289 | A | 95.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 6% | 0.058 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1141 L1142 L1145 E1285 F1286 V1287 Q1292 V1293 | W1141-A1289 HydrophobicContact CB-CB 3.88Å; L1142-A1289 HydrophobicContact CB-CB 4.14Å; L1145-A1289 HydrophobicContact CD1-CB 3.85Å; E1285-A1289 VanDerWaalsContact O-CB 3.31Å; E1285-A1289 WeakPolarHBondContact O-CB 3.34Å; E1285-A1289 PolarHBondContact O-N 3.13Å; F1286-A1289 PolarHBondContact O-N 2.87Å; V1287-A1289 VanDerWaalsContact C-N 3.33Å; V1287-A1289 PolarHBondContact O-N 3Å; A1289-Q1292 WeakPolarHBondContact O-CB 3.44Å; A1289-Q1292 PolarHBondContact O-N 3.46Å; A1289-V1293 WeakPolarHBondContact O-CG2 3.47Å; A1289-V1293 PolarHBondContact O-N 3.25Å |
| 1290 | L | 96.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 179.1 | -175.1 | 62.7 | 0 | 0 | 0 | 113 | L1145 F1272 F1286 V1287 Q1292 V1293 S1294 K1310 V1311 I1314 | L1145-L1290 HydrophobicContact CD1-CB 3.82Å; L1145-L1290 HydrophobicContact CD1-CD1 4.31Å; L1145-L1290 HydrophobicContact CD2-CD1 4.3Å; F1272-L1290 HydrophobicContact CE1-CD1 4.11Å; F1272-L1290 HydrophobicContact CE1-CD2 4.46Å; F1286-L1290 HydrophobicContact CE1-CD2 4.13Å; F1286-L1290 WeakPolarHBondContact O-CB 3.46Å; F1286-L1290 PolarHBondContact O-N 3.3Å; V1287-L1290 PolarHBondContact O-N 3.46Å; L1290-Q1292 VanDerWaalsContact C-N 3.27Å; L1290-Q1292 PolarHBondContact O-N 3.19Å; L1290-V1293 PolarHBondContact O-N 3.18Å; L1290-S1294 WeakPolarHBondContact O-CB 3.32Å; L1290-S1294 PolarHBondContact O-N 3.35Å; L1290-K1310 HydrophobicContact CD2-CB 4.31Å; L1290-V1311 HydrophobicContact CD2-CG2 3.76Å; L1290-V1311 HydrophobicContact CG-CG2 3.71Å; L1290-I1314 HydrophobicContact CD2-CD1 3.25Å |
| 1291 | C | 96.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -40.2 | 174.3 | -70.4 | 0 | 0 | 0 | 0 | 110.7 | V1287 S1294 Q1295 H1336 | V1287-C1291 WeakPolarHBondContact O-CB 3.47Å; V1287-C1291 PolarHBondContact O-N 3.09Å; V1287-C1291 PolarHBondContact O-SG 3.2Å; V1287-C1291 VanDerWaalsContact O-SG 3.35Å; C1291-S1294 PolarHBondContact O-N 3.34Å; C1291-Q1295 PolarHBondContact O-N 2.96Å; C1291-H1336 HydrophobicContact CB-CB 4.04Å; C1291-H1336 PolarHBondContact O-CE1 2.95Å; C1291-H1336 VanDerWaalsContact O-CE1 3.32Å |
| 1292 | Q | 94.7 | Very high | 91.2 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 175.4 | -174.8 | -179.9 | -20.8 | 0 | 0 | 111.9 | L1142 K1288 A1289 L1290 S1294 Q1295 E1296 | L1142-Q1292 HydrophobicContact CD1-CB 4.15Å; L1142-Q1292 HydrophobicContact CD1-CG 4.05Å; K1288-Q1292 WeakPolarHBondContact O-CB 3.09Å; K1288-Q1292 PolarHBondContact O-N 2.74Å; A1289-Q1292 WeakPolarHBondContact O-CB 3.44Å; A1289-Q1292 PolarHBondContact O-N 3.46Å; L1290-Q1292 VanDerWaalsContact C-N 3.27Å; L1290-Q1292 PolarHBondContact O-N 3.19Å; Q1292-S1294 VanDerWaalsContact C-N 3.31Å; Q1292-S1294 PolarHBondContact O-N 2.86Å; Q1292-Q1295 PolarHBondContact O-N 3.25Å; Q1292-Q1295 VanDerWaalsContact O-N 3.14Å; Q1292-E1296 PolarHBondContact NE2-OE1 2.98Å; Q1292-E1296 WeakPolarHBondContact O-CG 3.35Å; Q1292-E1296 PolarHBondContact O-N 2.84Å |
| 1293 | V | 94 | Very high | 90.9 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 176.2 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | L1142 L1145 R1146 A1289 L1290 Q1295 E1296 E1297 | L1142-V1293 HydrophobicContact CD1-CG2 3.86Å; L1145-V1293 HydrophobicContact CB-CG2 3.93Å; R1146-V1293 HydrophobicContact CG-CG2 3.71Å; A1289-V1293 WeakPolarHBondContact O-CG2 3.47Å; A1289-V1293 PolarHBondContact O-N 3.25Å; L1290-V1293 PolarHBondContact O-N 3.18Å; V1293-Q1295 VanDerWaalsContact C-N 3.31Å; V1293-Q1295 PolarHBondContact O-N 2.66Å; V1293-E1296 WeakPolarHBondContact O-CB 3.49Å; V1293-E1296 PolarHBondContact O-N 2.96Å; V1293-E1297 PolarHBondContact O-N 2.69Å |
| 1294 | S | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 173.9 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | L1290 C1291 Q1292 E1297 L1298 L1308 H1336 | L1290-S1294 WeakPolarHBondContact O-CB 3.32Å; L1290-S1294 PolarHBondContact O-N 3.35Å; C1291-S1294 PolarHBondContact O-N 3.34Å; Q1292-S1294 VanDerWaalsContact C-N 3.31Å; Q1292-S1294 PolarHBondContact O-N 2.86Å; S1294-E1297 PolarHBondContact O-N 2.93Å; S1294-L1298 VanDerWaalsContact O-CG 3.24Å; S1294-L1298 WeakPolarHBondContact O-CG 3.44Å; S1294-L1298 PolarHBondContact O-N 2.94Å; S1294-L1308 WeakPolarHBondContact OG-CA 3.4Å; S1294-L1308 PolarHBondContact OG-N 3.42Å; S1294-H1336 VanDerWaalsContact CB-NE2 3.27Å; S1294-H1336 WeakPolarHBondContact CB-NE2 3.48Å; S1294-H1336 PolarHBondContact OG-NE2 2.75Å |
| 1295 | Q | 92.2 | Very high | 90.4 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 24% | 0.238 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.3 | -38.7 | 176.3 | -170.6 | 61.3 | 52.8 | 0 | 0 | 111.6 | C1291 Q1292 V1293 E1297 L1298 N1299 | C1291-Q1295 PolarHBondContact O-N 2.96Å; Q1292-Q1295 PolarHBondContact O-N 3.25Å; Q1292-Q1295 VanDerWaalsContact O-N 3.14Å; V1293-Q1295 VanDerWaalsContact C-N 3.31Å; V1293-Q1295 PolarHBondContact O-N 2.66Å; Q1295-E1297 VanDerWaalsContact C-N 3.33Å; Q1295-E1297 PolarHBondContact O-N 2.83Å; Q1295-L1298 PolarHBondContact O-N 3.47Å; Q1295-N1299 PolarHBondContact NE2-OD1 3.47Å; Q1295-N1299 WeakPolarHBondContact O-CB 3.46Å; Q1295-N1299 PolarHBondContact O-N 3.05Å; Q1295-N1299 VanDerWaalsContact O-N 3.08Å; Q1295-N1299 PolarHBondContact O-ND2 3.3Å; Q1295-N1299 PolarHBondContact O-OD1 3.18Å |
| 1296 | E | 89.8 | Confident | 90.4 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 33% | 0.327 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 173.8 | -70.6 | 169.3 | -168 | 0 | 0 | 111.4 | R1146 Q1292 V1293 N1299 | R1146-E1296 IonicContact CZ-OE1 3.56Å; R1146-E1296 IonicContact CZ-OE2 3.63Å; R1146-E1296 IonicContact NE-OE1 3.47Å; R1146-E1296 IonicContact NE-OE2 2.77Å; R1146-E1296 PolarHBondContact NE-OE2 3.02Å; R1146-E1296 IonicContact NH2-OE1 3.15Å; R1146-E1296 PolarHBondContact NH2-OE1 3.41Å; R1146-E1296 IonicContact NH2-OE2 3.11Å; Q1292-E1296 PolarHBondContact NE2-OE1 2.98Å; Q1292-E1296 WeakPolarHBondContact O-CG 3.35Å; Q1292-E1296 PolarHBondContact O-N 2.84Å; V1293-E1296 WeakPolarHBondContact O-CB 3.49Å; V1293-E1296 PolarHBondContact O-N 2.96Å; E1296-N1299 PolarHBondContact O-N 3.26Å |
| 1297 | E | 89.6 | Confident | 90.3 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -38.4 | 175.3 | -76 | 179.7 | -159.6 | 0 | 0 | 113.7 | S1149 V1293 S1294 Q1295 N1299 L1300 R1304 F1306 S1307 | S1149-E1297 WeakPolarHBondContact CB-OE1 3.18Å; S1149-E1297 PolarHBondContact OG-OE1 3.19Å; V1293-E1297 PolarHBondContact O-N 2.69Å; S1294-E1297 PolarHBondContact O-N 2.93Å; Q1295-E1297 VanDerWaalsContact C-N 3.33Å; Q1295-E1297 PolarHBondContact O-N 2.83Å; E1297-N1299 VanDerWaalsContact C-N 3.31Å; E1297-L1300 WeakPolarHBondContact O-CB 3.41Å; E1297-L1300 WeakPolarHBondContact O-CG 3.46Å; E1297-L1300 PolarHBondContact O-N 3.44Å; E1297-R1304 HydrophobicContact CB-CB 4.22Å; E1297-R1304 WeakPolarHBondContact CB-O 3.37Å; E1297-R1304 PolarHBondContact O-N 3.42Å; E1297-R1304 VanDerWaalsContact O-N 3.15Å; E1297-F1306 PolarHBondContact OE2-N 3.22Å; E1297-S1307 VanDerWaalsContact CD-OG 3.29Å; E1297-S1307 WeakPolarHBondContact OE1-CB 3.41Å; E1297-S1307 PolarHBondContact OE1-OG 3.25Å; E1297-S1307 WeakPolarHBondContact OE2-CB 3.39Å; E1297-S1307 PolarHBondContact OE2-N 2.95Å |
| 1298 | L | 90.3 | Very high | 90.2 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.4 | -24.5 | 179.6 | -69.5 | 177.3 | 0 | 0 | 0 | 112.7 | S1294 Q1295 L1300 A1303 T1305 L1308 A1340 V1348 | S1294-L1298 VanDerWaalsContact O-CG 3.24Å; S1294-L1298 WeakPolarHBondContact O-CG 3.44Å; S1294-L1298 PolarHBondContact O-N 2.94Å; Q1295-L1298 PolarHBondContact O-N 3.47Å; L1298-L1300 PolarHBondContact O-N 3.05Å; L1298-A1303 HydrophobicContact CD2-CB 4.28Å; L1298-T1305 HydrophobicContact CD2-CG2 4.43Å; L1298-L1308 HydrophobicContact CD1-CD2 4.43Å; L1298-L1308 HydrophobicContact CD2-CD2 4.39Å; L1298-A1340 HydrophobicContact CD1-CB 3.71Å; L1298-V1348 HydrophobicContact CD1-CG1 4.39Å; L1298-V1348 HydrophobicContact CD2-CG1 3.67Å; L1298-V1348 HydrophobicContact CD2-CG2 4.02Å |
| 1299 | N | 88.2 | Confident | 90.1 | Very high | 115 Ų | 115 | 45.1 Ų | 45.1 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -2.6 | 177.3 | -68.9 | -14.3 | 0 | 0 | 0 | 113.2 | Q1295 E1296 E1297 | Q1295-N1299 PolarHBondContact NE2-OD1 3.47Å; Q1295-N1299 WeakPolarHBondContact O-CB 3.46Å; Q1295-N1299 PolarHBondContact O-N 3.05Å; Q1295-N1299 VanDerWaalsContact O-N 3.08Å; Q1295-N1299 PolarHBondContact O-ND2 3.3Å; Q1295-N1299 PolarHBondContact O-OD1 3.18Å; E1296-N1299 PolarHBondContact O-N 3.26Å; E1297-N1299 VanDerWaalsContact C-N 3.31Å |
| 1300 | L | 85.4 | Confident | 90.1 | Very high | 73 Ų | 73 | 45.8 Ų | 45.8 | 38% | 0.382 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -68.3 | 149.9 | 174.7 | -64.9 | 174.1 | 0 | 0 | 0 | 110.7 | E1297 L1298 Q1302 A1303 | E1297-L1300 WeakPolarHBondContact O-CB 3.41Å; E1297-L1300 WeakPolarHBondContact O-CG 3.46Å; E1297-L1300 PolarHBondContact O-N 3.44Å; L1298-L1300 PolarHBondContact O-N 3.05Å; L1300-Q1302 CarbonylContact O-C 3.6Å; L1300-Q1302 PolarHBondContact O-N 3.38Å; L1300-A1303 PolarHBondContact O-N 3.39Å |
| 1301 | P | 75.1 | Confident | 90 | Very high | 127 Ų | 127 | 45.7 Ų | 45.7 | 83% | 0.825 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -55 | -30.3 | 179.1 | -26.3 | 33.9 | 0 | 0 | 0 | 114.2 | ||
| 1302 | Q | 77.9 | Confident | 89.9 | Confident | 167 Ų | 167 | 46.1 Ų | 46.1 | 78% | 0.78 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -115.7 | 105.1 | 164.8 | -175 | 175.1 | 15.2 | 0 | 0 | 106.6 | L1300 R1304 | L1300-Q1302 CarbonylContact O-C 3.6Å; L1300-Q1302 PolarHBondContact O-N 3.38Å; Q1302-R1304 PolarHBondContact O-N 3.36Å |
| 1303 | A | 84.3 | Confident | 89.8 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 21% | 0.207 | 23% | 0.233 | C | C | . | . | trans | -60.4 | 134.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1298 L1300 V1348 | L1298-A1303 HydrophobicContact CD2-CB 4.28Å; L1300-A1303 PolarHBondContact O-N 3.39Å; A1303-V1348 HydrophobicContact CB-CG2 4.05Å | ||
| 1304 | R | 87.7 | Confident | 89.7 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | trans | -109.5 | 136.1 | 176.6 | -176.9 | 176.3 | 171.8 | -150.5 | -9.9 | 110.4 | S1149 S1153 E1297 Q1302 F1306 | S1149-R1304 PolarHBondContact O-NH1 3.23Å; S1149-R1304 PolarHBondContact O-NH2 3.44Å; S1153-R1304 VanDerWaalsContact N-NH1 3.13Å; S1153-R1304 PolarHBondContact OG-NH1 3.41Å; E1297-R1304 HydrophobicContact CB-CB 4.22Å; E1297-R1304 WeakPolarHBondContact CB-O 3.37Å; E1297-R1304 PolarHBondContact O-N 3.42Å; E1297-R1304 VanDerWaalsContact O-N 3.15Å; Q1302-R1304 PolarHBondContact O-N 3.36Å; R1304-F1306 HydrophobicContact CG-CB 4.31Å | ||
| 1305 | T | 88.6 | Confident | 89.4 | Confident | 40 Ų | 40 | 44.8 Ų | 44.8 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | trans | -107.5 | 10.3 | -172.4 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | L1298 L1308 Q1309 V1348 | L1298-T1305 HydrophobicContact CD2-CG2 4.43Å; T1305-L1308 HydrophobicContact CG2-CD2 4.39Å; T1305-L1308 WeakPolarHBondContact O-CB 3.4Å; T1305-L1308 PolarHBondContact O-N 3.02Å; T1305-Q1309 VanDerWaalsContact O-CG 3.32Å; T1305-Q1309 WeakPolarHBondContact O-CG 3.37Å; T1305-Q1309 PolarHBondContact O-N 2.86Å; T1305-V1348 HydrophobicContact CG2-CG2 3.82Å | ||
| 1306 | F | 91.1 | Very high | 89.2 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -54.9 | -176 | 167 | -98 | 0 | 0 | 0 | 111.8 | I1148 E1152 F1272 E1297 R1304 L1308 Q1309 K1310 | I1148-F1306 HydrophobicContact CG2-CE1 4.37Å; I1148-F1306 HydrophobicContact CG2-CZ 4.46Å; E1152-F1306 HydrophobicContact CB-CD1 4.41Å; E1152-F1306 HydrophobicContact CB-CD2 4.34Å; E1152-F1306 HydrophobicContact CB-CE1 4.26Å; E1152-F1306 HydrophobicContact CB-CE2 4.17Å; E1152-F1306 HydrophobicContact CB-CG 4.46Å; E1152-F1306 HydrophobicContact CB-CZ 4.15Å; E1152-F1306 HydrophobicContact CG-CD2 4.4Å; E1152-F1306 HydrophobicContact CG-CE1 4.05Å; E1152-F1306 HydrophobicContact CG-CE2 3.74Å; E1152-F1306 HydrophobicContact CG-CZ 3.56Å; F1272-F1306 HydrophobicContact CE2-CZ 4.33Å; F1272-F1306 HydrophobicContact CZ-CZ 4.48Å; E1297-F1306 PolarHBondContact OE2-N 3.22Å; R1304-F1306 HydrophobicContact CG-CB 4.31Å; F1306-L1308 PolarHBondContact O-N 3.47Å; F1306-Q1309 WeakPolarHBondContact O-CB 3.14Å; F1306-Q1309 PolarHBondContact O-N 3.43Å; F1306-K1310 HydrophobicContact CE1-CG 4.31Å; F1306-K1310 HydrophobicContact CE2-CG 4.24Å; F1306-K1310 HydrophobicContact CZ-CG 3.97Å; F1306-K1310 PolarHBondContact O-N 3.01Å; F1306-K1310 VanDerWaalsContact O-N 3.09Å |
| 1307 | S | 93 | Very high | 89.1 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.7 | -31.5 | 179.6 | -72.2 | 0 | 0 | 0 | 0 | 111.2 | E1297 K1310 V1311 | E1297-S1307 VanDerWaalsContact CD-OG 3.29Å; E1297-S1307 WeakPolarHBondContact OE1-CB 3.41Å; E1297-S1307 PolarHBondContact OE1-OG 3.25Å; E1297-S1307 WeakPolarHBondContact OE2-CB 3.39Å; E1297-S1307 PolarHBondContact OE2-N 2.95Å; S1307-K1310 CarbonylContact O-C 3.6Å; S1307-K1310 PolarHBondContact O-N 3.38Å; S1307-V1311 WeakPolarHBondContact O-CG2 3.25Å; S1307-V1311 PolarHBondContact O-N 3.49Å |
| 1308 | L | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 174.4 | -174.5 | 62.4 | 0 | 0 | 0 | 111.7 | S1294 L1298 T1305 F1306 K1310 V1311 V1312 F1337 A1340 V1348 F1351 V1352 | S1294-L1308 WeakPolarHBondContact OG-CA 3.4Å; S1294-L1308 PolarHBondContact OG-N 3.42Å; L1298-L1308 HydrophobicContact CD1-CD2 4.43Å; L1298-L1308 HydrophobicContact CD2-CD2 4.39Å; T1305-L1308 HydrophobicContact CG2-CD2 4.39Å; T1305-L1308 WeakPolarHBondContact O-CB 3.4Å; T1305-L1308 PolarHBondContact O-N 3.02Å; F1306-L1308 PolarHBondContact O-N 3.47Å; L1308-K1310 VanDerWaalsContact C-N 3.32Å; L1308-K1310 PolarHBondContact O-N 2.78Å; L1308-V1311 WeakPolarHBondContact O-CB 3.42Å; L1308-V1311 PolarHBondContact O-N 2.88Å; L1308-V1312 WeakPolarHBondContact O-CG2 3.33Å; L1308-V1312 PolarHBondContact O-N 3.49Å; L1308-F1337 HydrophobicContact CD1-CD1 4.35Å; L1308-F1337 HydrophobicContact CD1-CE1 4.19Å; L1308-A1340 HydrophobicContact CD1-CB 4.21Å; L1308-A1340 HydrophobicContact CD2-CB 4.5Å; L1308-V1348 HydrophobicContact CD2-CG1 4Å; L1308-F1351 HydrophobicContact CD2-CD1 3.73Å; L1308-F1351 HydrophobicContact CD2-CE1 4.1Å; L1308-F1351 HydrophobicContact CG-CD1 4.06Å; L1308-F1351 HydrophobicContact CG-CE1 3.91Å; L1308-V1352 HydrophobicContact CD1-CG2 4.27Å; L1308-V1352 HydrophobicContact CD2-CG2 3.78Å; L1308-V1352 HydrophobicContact CG-CG2 4.48Å |
| 1309 | Q | 93.8 | Very high | 88.8 | Confident | 81 Ų | 81 | 47.1 Ų | 47.1 | 38% | 0.379 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 172.3 | -72.5 | 168.7 | 8.4 | 0 | 0 | 111.2 | T1305 F1306 V1311 V1312 E1313 F1351 | T1305-Q1309 VanDerWaalsContact O-CG 3.32Å; T1305-Q1309 WeakPolarHBondContact O-CG 3.37Å; T1305-Q1309 PolarHBondContact O-N 2.86Å; F1306-Q1309 WeakPolarHBondContact O-CB 3.14Å; F1306-Q1309 PolarHBondContact O-N 3.43Å; Q1309-V1311 PolarHBondContact O-N 2.78Å; Q1309-V1312 WeakPolarHBondContact O-CB 3.24Å; Q1309-V1312 PolarHBondContact O-N 3.42Å; Q1309-V1312 VanDerWaalsContact O-N 3.13Å; Q1309-E1313 PolarHBondContact O-N 3.08Å; Q1309-F1351 HydrophobicContact CB-CZ 4.24Å; Q1309-F1351 HydrophobicContact CG-CE1 4.07Å; Q1309-F1351 HydrophobicContact CG-CE2 3.96Å; Q1309-F1351 HydrophobicContact CG-CZ 3.44Å; Q1309-F1351 VanDerWaalsContact CG-CZ 3.44Å |
| 1310 | K | 94.6 | Very high | 88.5 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -34.7 | 176.4 | -65.4 | -49 | -169.2 | -174.3 | 0 | 113.2 | D1269 F1272 L1290 F1306 S1307 L1308 V1312 E1313 I1314 | D1269-K1310 IonicContact OD1-NZ 3.99Å; D1269-K1310 PolarHBondContact OD1-NZ 3.4Å; F1272-K1310 HydrophobicContact CD1-CB 4.03Å; F1272-K1310 HydrophobicContact CD1-CD 4.41Å; F1272-K1310 HydrophobicContact CD1-CG 4.2Å; F1272-K1310 HydrophobicContact CD2-CD 3.98Å; F1272-K1310 HydrophobicContact CD2-CG 4.22Å; F1272-K1310 HydrophobicContact CE1-CB 3.9Å; F1272-K1310 HydrophobicContact CE1-CG 4.01Å; F1272-K1310 HydrophobicContact CE2-CD 4.24Å; F1272-K1310 HydrophobicContact CE2-CG 4.03Å; F1272-K1310 HydrophobicContact CG-CD 4.06Å; F1272-K1310 HydrophobicContact CG-CG 4.3Å; F1272-K1310 HydrophobicContact CZ-CB 4.3Å; F1272-K1310 HydrophobicContact CZ-CG 3.91Å; L1290-K1310 HydrophobicContact CD2-CB 4.31Å; F1306-K1310 HydrophobicContact CE1-CG 4.31Å; F1306-K1310 HydrophobicContact CE2-CG 4.24Å; F1306-K1310 HydrophobicContact CZ-CG 3.97Å; F1306-K1310 PolarHBondContact O-N 3.01Å; F1306-K1310 VanDerWaalsContact O-N 3.09Å; S1307-K1310 CarbonylContact O-C 3.6Å; S1307-K1310 PolarHBondContact O-N 3.38Å; L1308-K1310 VanDerWaalsContact C-N 3.32Å; L1308-K1310 PolarHBondContact O-N 2.78Å; K1310-V1312 VanDerWaalsContact C-N 3.28Å; K1310-V1312 PolarHBondContact O-N 3.35Å; K1310-E1313 VanDerWaalsContact CD-OE2 3.3Å; K1310-E1313 WeakPolarHBondContact CD-OE2 3.31Å; K1310-E1313 IonicContact NZ-OE1 2.93Å; K1310-E1313 PolarHBondContact NZ-OE1 3.23Å; K1310-E1313 IonicContact NZ-OE2 3.22Å; K1310-E1313 PolarHBondContact NZ-OE2 3.48Å; K1310-E1313 PolarHBondContact O-N 3.01Å; K1310-I1314 WeakPolarHBondContact O-CB 3.49Å; K1310-I1314 WeakPolarHBondContact O-CD1 3.38Å; K1310-I1314 VanDerWaalsContact O-CG1 3.25Å; K1310-I1314 WeakPolarHBondContact O-CG1 3.3Å; K1310-I1314 PolarHBondContact O-N 2.85Å |
| 1311 | V | 94.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -41.7 | 170.9 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L1290 S1307 L1308 Q1309 S1315 I1333 F1337 | L1290-V1311 HydrophobicContact CD2-CG2 3.76Å; L1290-V1311 HydrophobicContact CG-CG2 3.71Å; S1307-V1311 WeakPolarHBondContact O-CG2 3.25Å; S1307-V1311 PolarHBondContact O-N 3.49Å; L1308-V1311 WeakPolarHBondContact O-CB 3.42Å; L1308-V1311 PolarHBondContact O-N 2.88Å; Q1309-V1311 PolarHBondContact O-N 2.78Å; V1311-S1315 WeakPolarHBondContact O-CB 3.36Å; V1311-S1315 PolarHBondContact O-N 3.24Å; V1311-S1315 PolarHBondContact O-OG 3.41Å; V1311-I1333 HydrophobicContact CG1-CG1 4.25Å; V1311-I1333 HydrophobicContact CG1-CG2 3.96Å; V1311-F1337 HydrophobicContact CG1-CE1 4.46Å; V1311-F1337 HydrophobicContact CG1-CZ 4.17Å |
| 1312 | V | 93.1 | Very high | 89.1 | Confident | 20 Ų | 20 | 40.2 Ų | 40.2 | 12% | 0.121 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -47.2 | 177.2 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | L1308 Q1309 K1310 I1314 S1315 Y1316 F1337 F1351 S1355 | L1308-V1312 WeakPolarHBondContact O-CG2 3.33Å; L1308-V1312 PolarHBondContact O-N 3.49Å; Q1309-V1312 WeakPolarHBondContact O-CB 3.24Å; Q1309-V1312 PolarHBondContact O-N 3.42Å; Q1309-V1312 VanDerWaalsContact O-N 3.13Å; K1310-V1312 VanDerWaalsContact C-N 3.28Å; K1310-V1312 PolarHBondContact O-N 3.35Å; V1312-I1314 VanDerWaalsContact C-N 3.34Å; V1312-I1314 PolarHBondContact O-N 3.01Å; V1312-S1315 WeakPolarHBondContact O-CB 3.4Å; V1312-S1315 PolarHBondContact O-N 3.29Å; V1312-Y1316 PolarHBondContact O-N 2.72Å; V1312-F1337 HydrophobicContact CG2-CE1 3.83Å; V1312-F1337 HydrophobicContact CG2-CZ 3.75Å; V1312-F1351 HydrophobicContact CG2-CE1 4Å; V1312-F1351 HydrophobicContact CG2-CZ 4.2Å; V1312-S1355 WeakPolarHBondContact CG2-OG 3.49Å |
| 1313 | E | 92.6 | Very high | 89.3 | Confident | 55 Ų | 55 | 35.9 Ų | 35.9 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 177.4 | -70.2 | 176.8 | -154.9 | 0 | 0 | 111.9 | Q1309 K1310 S1315 Y1316 Y1317 | Q1309-E1313 PolarHBondContact O-N 3.08Å; K1310-E1313 VanDerWaalsContact CD-OE2 3.3Å; K1310-E1313 WeakPolarHBondContact CD-OE2 3.31Å; K1310-E1313 IonicContact NZ-OE1 2.93Å; K1310-E1313 PolarHBondContact NZ-OE1 3.23Å; K1310-E1313 IonicContact NZ-OE2 3.22Å; K1310-E1313 PolarHBondContact NZ-OE2 3.48Å; K1310-E1313 PolarHBondContact O-N 3.01Å; E1313-S1315 VanDerWaalsContact C-N 3.34Å; E1313-S1315 PolarHBondContact O-N 2.94Å; E1313-Y1316 WeakPolarHBondContact O-CA 3.45Å; E1313-Y1316 WeakPolarHBondContact O-CB 3.37Å; E1313-Y1316 PolarHBondContact O-N 3.44Å; E1313-Y1316 VanDerWaalsContact O-N 3.08Å; E1313-Y1317 HydrophobicContact CB-CD2 4.49Å; E1313-Y1317 HydrophobicContact CB-CE2 3.96Å; E1313-Y1317 VanDerWaalsContact O-CD2 3.23Å; E1313-Y1317 WeakPolarHBondContact O-CD2 3.23Å; E1313-Y1317 PolarHBondContact O-N 3.14Å |
| 1314 | I | 91.8 | Very high | 89 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.3 | -35.5 | -179.4 | -71 | 163.7 | 0 | 0 | 0 | 111.5 | F1272 I1283 F1286 V1287 L1290 K1310 V1312 Y1316 Y1317 N1318 | F1272-I1314 HydrophobicContact CB-CD1 4.35Å; F1272-I1314 HydrophobicContact CB-CG1 4.41Å; F1272-I1314 HydrophobicContact CD1-CD1 3.52Å; F1272-I1314 HydrophobicContact CD1-CG1 4.42Å; F1272-I1314 HydrophobicContact CE1-CD1 4.3Å; F1272-I1314 HydrophobicContact CG-CD1 4.4Å; I1283-I1314 HydrophobicContact CD1-CG2 4.48Å; F1286-I1314 HydrophobicContact CE1-CD1 3.42Å; F1286-I1314 VanDerWaalsContact CE1-CD1 3.42Å; F1286-I1314 HydrophobicContact CZ-CD1 3.93Å; V1287-I1314 HydrophobicContact CG2-CG2 4.18Å; L1290-I1314 HydrophobicContact CD2-CD1 3.25Å; K1310-I1314 WeakPolarHBondContact O-CB 3.49Å; K1310-I1314 WeakPolarHBondContact O-CD1 3.38Å; K1310-I1314 VanDerWaalsContact O-CG1 3.25Å; K1310-I1314 WeakPolarHBondContact O-CG1 3.3Å; K1310-I1314 PolarHBondContact O-N 2.85Å; V1312-I1314 VanDerWaalsContact C-N 3.34Å; V1312-I1314 PolarHBondContact O-N 3.01Å; I1314-Y1316 PolarHBondContact O-N 3.48Å; I1314-Y1317 PolarHBondContact O-N 3.28Å; I1314-N1318 WeakPolarHBondContact CG2-ND2 3.38Å; I1314-N1318 WeakPolarHBondContact O-CB 3.49Å; I1314-N1318 PolarHBondContact O-N 3.44Å; I1314-N1318 PolarHBondContact O-ND2 3.06Å |
| 1315 | S | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.4 | -43.8 | 170.3 | -58.9 | 0 | 0 | 0 | 0 | 110.2 | V1311 V1312 E1313 M1319 W1326 I1333 | V1311-S1315 WeakPolarHBondContact O-CB 3.36Å; V1311-S1315 PolarHBondContact O-N 3.24Å; V1311-S1315 PolarHBondContact O-OG 3.41Å; V1312-S1315 WeakPolarHBondContact O-CB 3.4Å; V1312-S1315 PolarHBondContact O-N 3.29Å; E1313-S1315 VanDerWaalsContact C-N 3.34Å; E1313-S1315 PolarHBondContact O-N 2.94Å; S1315-M1319 WeakPolarHBondContact O-CB 3.39Å; S1315-M1319 PolarHBondContact O-N 2.94Å; S1315-W1326 WeakPolarHBondContact O-CH2 3.45Å; S1315-I1333 WeakPolarHBondContact OG-CD1 3.35Å |
| 1316 | Y | 87.9 | Confident | 88.8 | Confident | 101 Ų | 101 | 40.4 Ų | 40.4 | 40% | 0.396 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.4 | -46.6 | 177.8 | -177.6 | -117.9 | 0 | 0 | 0 | 112.6 | V1312 E1313 I1314 N1318 K1362 | V1312-Y1316 PolarHBondContact O-N 2.72Å; E1313-Y1316 WeakPolarHBondContact O-CA 3.45Å; E1313-Y1316 WeakPolarHBondContact O-CB 3.37Å; E1313-Y1316 PolarHBondContact O-N 3.44Å; E1313-Y1316 VanDerWaalsContact O-N 3.08Å; I1314-Y1316 PolarHBondContact O-N 3.48Å; Y1316-N1318 VanDerWaalsContact C-N 3.34Å; Y1316-N1318 PolarHBondContact O-N 2.8Å; Y1316-K1362 HydrophobicContact CD2-CD 3.7Å; Y1316-K1362 HydrophobicContact CE2-CD 3.17Å; Y1316-K1362 PolarHBondContact OH-NZ 3.31Å |
| 1317 | Y | 87.1 | Confident | 88.6 | Confident | 81 Ų | 81 | 42.5 Ų | 42.5 | 32% | 0.318 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.5 | -33 | -179.2 | -60.8 | -39.6 | 0 | 0 | 0 | 113.6 | T1273 E1313 I1314 | T1273-Y1317 HydrophobicContact CG2-CE2 3.96Å; E1313-Y1317 HydrophobicContact CB-CD2 4.49Å; E1313-Y1317 HydrophobicContact CB-CE2 3.96Å; E1313-Y1317 VanDerWaalsContact O-CD2 3.23Å; E1313-Y1317 WeakPolarHBondContact O-CD2 3.23Å; E1313-Y1317 PolarHBondContact O-N 3.14Å; I1314-Y1317 PolarHBondContact O-N 3.28Å |
| 1318 | N | 89 | Confident | 88.5 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -98.3 | -1.1 | -173.7 | -68.4 | -86.3 | 0 | 0 | 0 | 114.2 | S1275 I1314 Y1316 G1320 R1321 W1326 | S1275-N1318 PolarHBondContact O-OD1 3.1Å; S1275-N1318 PolarHBondContact OG-ND2 3.23Å; I1314-N1318 WeakPolarHBondContact CG2-ND2 3.38Å; I1314-N1318 WeakPolarHBondContact O-CB 3.49Å; I1314-N1318 PolarHBondContact O-N 3.44Å; I1314-N1318 PolarHBondContact O-ND2 3.06Å; Y1316-N1318 VanDerWaalsContact C-N 3.34Å; Y1316-N1318 PolarHBondContact O-N 2.8Å; N1318-G1320 PolarHBondContact O-N 3.4Å; N1318-R1321 WeakPolarHBondContact O-CB 3.4Å; N1318-R1321 WeakPolarHBondContact O-CG 3.44Å; N1318-R1321 PolarHBondContact O-N 2.89Å; N1318-R1321 VanDerWaalsContact O-N 3.12Å; N1318-R1321 PolarHBondContact OD1-NE 3.5Å; N1318-R1321 PolarHBondContact OD1-NH2 2.79Å; N1318-R1321 VanDerWaalsContact OD1-NH2 3.15Å; N1318-W1326 VanDerWaalsContact C-CZ3 3.5Å; N1318-W1326 HydrophobicContact CB-CE3 4.33Å; N1318-W1326 HydrophobicContact CB-CZ3 3.88Å; N1318-W1326 VanDerWaalsContact O-CE3 3.31Å |
| 1319 | M | 84.8 | Confident | 88.4 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 6% | 0.064 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10.9 | 178.6 | -167.6 | -179.8 | -91.2 | 0 | 0 | 113.5 | S1315 W1326 L1359 K1362 L1363 K1366 F1378 | S1315-M1319 WeakPolarHBondContact O-CB 3.39Å; S1315-M1319 PolarHBondContact O-N 2.94Å; M1319-W1326 HydrophobicContact CB-CH2 4.32Å; M1319-W1326 HydrophobicContact CB-CZ2 4.48Å; M1319-W1326 HydrophobicContact CE-CZ2 4.43Å; M1319-W1326 HydrophobicContact CG-CZ2 4.43Å; M1319-L1359 HydrophobicContact CE-CB 4.22Å; M1319-L1359 HydrophobicContact CE-CD2 4.32Å; M1319-L1359 WeakPolarHBondContact CE-O 3.46Å; M1319-K1362 HydrophobicContact SD-CB 4.41Å; M1319-L1363 HydrophobicContact CE-CB 3.69Å; M1319-L1363 HydrophobicContact CE-CD1 3.78Å; M1319-L1363 HydrophobicContact CE-CG 4.28Å; M1319-L1363 HydrophobicContact CG-CD1 3.65Å; M1319-L1363 HydrophobicContact SD-CB 3.91Å; M1319-L1363 HydrophobicContact SD-CD1 3.72Å; M1319-L1363 HydrophobicContact SD-CG 4.42Å; M1319-K1366 VanDerWaalsContact C-NZ 3.33Å; M1319-K1366 PolarHBondContact O-NZ 3.12Å; M1319-F1378 HydrophobicContact CE-CE2 4.26Å; M1319-F1378 HydrophobicContact CE-CZ 4.14Å |
| 1320 | G | 81.7 | Confident | 88.3 | Confident | 63 Ų | 63 | 44.4 Ų | 44.4 | 65% | 0.649 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N1318 | N1318-G1320 PolarHBondContact O-N 3.4Š|
| 1321 | R | 87.2 | Confident | 88.1 | Confident | 39 Ų | 39 | 50 Ų | 50 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -68.5 | 160.4 | -177.1 | -70.6 | -179.5 | 177.6 | -84.5 | -1.3 | 112.8 | S1275 I1276 L1278 N1318 | S1275-R1321 PolarHBondContact O-NH2 3.16Å; I1276-R1321 VanDerWaalsContact C-NH2 3.29Å; I1276-R1321 PolarHBondContact O-NH2 3.24Å; L1278-R1321 PolarHBondContact O-NH1 3.43Å; L1278-R1321 PolarHBondContact O-NH2 3.16Å; N1318-R1321 WeakPolarHBondContact O-CB 3.4Å; N1318-R1321 WeakPolarHBondContact O-CG 3.44Å; N1318-R1321 PolarHBondContact O-N 2.89Å; N1318-R1321 VanDerWaalsContact O-N 3.12Å; N1318-R1321 PolarHBondContact OD1-NE 3.5Å; N1318-R1321 PolarHBondContact OD1-NH2 2.79Å; N1318-R1321 VanDerWaalsContact OD1-NH2 3.15Å |
| 1322 | I | 86.1 | Confident | 88.1 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 35% | 0.354 | 26% | 0.259 | S | S | . | . | trans | -55.4 | 144.1 | 171 | 57.4 | 161.8 | 0 | 0 | 0 | 111.3 | E697 L1324 Q1325 W1326 | E697-I1322 WeakPolarHBondContact OE1-CG2 3.3Å; E697-I1322 WeakPolarHBondContact OE2-CG2 3.48Å; I1322-L1324 VanDerWaalsContact C-N 3.32Å; I1322-L1324 PolarHBondContact O-N 3.46Å; I1322-Q1325 HydrophobicContact CD1-CG 3.91Å; I1322-Q1325 HydrophobicContact CG1-CB 4.06Å; I1322-Q1325 HydrophobicContact CG1-CG 3.68Å; I1322-Q1325 PolarHBondContact O-N 3.15Å; I1322-W1326 PolarHBondContact O-N 3.49Å | ||
| 1323 | R | 80.8 | Confident | 88.1 | Confident | 75 Ų | 75 | 51.5 Ų | 51.5 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.8 | -41.4 | -167.9 | -68.7 | -176.8 | 175.6 | -178.1 | -1.9 | 113.7 | Q1325 W1326 S1327 L1369 F1372 | R1323-Q1325 VanDerWaalsContact C-N 3.29Å; R1323-Q1325 PolarHBondContact O-N 3.34Å; R1323-W1326 PolarHBondContact O-N 3.36Å; R1323-S1327 WeakPolarHBondContact O-CB 3.3Å; R1323-S1327 PolarHBondContact O-N 3.48Å; R1323-S1327 PolarHBondContact O-OG 2.85Å; R1323-L1369 VanDerWaalsContact NH2-CG 3.28Å; R1323-L1369 VanDerWaalsContact NH2-N 3.19Å; R1323-F1372 VanDerWaalsContact NH1-CD2 3.35Å |
| 1324 | L | 79.7 | Confident | 88.1 | Confident | 136 Ų | 136 | 49.2 Ų | 49.2 | 71% | 0.712 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.7 | -39.1 | -179.8 | -170.2 | 71.8 | 0 | 0 | 0 | 112.1 | I1322 R1328 | I1322-L1324 VanDerWaalsContact C-N 3.32Å; I1322-L1324 PolarHBondContact O-N 3.46Å; L1324-R1328 WeakPolarHBondContact O-CG 3.38Å; L1324-R1328 PolarHBondContact O-N 3.02Å |
| 1325 | Q | 83.6 | Confident | 88.1 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.4 | -45.8 | 175.7 | -67.9 | 177.1 | 4 | 0 | 0 | 110.9 | G1280 I1322 R1323 S1327 R1328 I1329 | G1280-Q1325 VanDerWaalsContact CA-CD 3.41Å; I1322-Q1325 HydrophobicContact CD1-CG 3.91Å; I1322-Q1325 HydrophobicContact CG1-CB 4.06Å; I1322-Q1325 HydrophobicContact CG1-CG 3.68Å; I1322-Q1325 PolarHBondContact O-N 3.15Å; R1323-Q1325 VanDerWaalsContact C-N 3.29Å; R1323-Q1325 PolarHBondContact O-N 3.34Å; Q1325-S1327 VanDerWaalsContact C-N 3.31Å; Q1325-S1327 PolarHBondContact O-N 3.02Å; Q1325-R1328 PolarHBondContact O-N 3.42Å; Q1325-I1329 WeakPolarHBondContact O-CG1 3.5Å; Q1325-I1329 PolarHBondContact O-N 2.94Å |
| 1326 | W | 88.5 | Confident | 88.3 | Confident | 19 Ų | 19 | 53.1 Ų | 53.1 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 178.9 | -177.9 | -108.2 | 0 | 0 | 0 | 112.6 | S1315 N1318 M1319 I1322 R1323 R1328 I1329 W1330 F1378 | S1315-W1326 WeakPolarHBondContact O-CH2 3.45Å; N1318-W1326 VanDerWaalsContact C-CZ3 3.5Å; N1318-W1326 HydrophobicContact CB-CE3 4.33Å; N1318-W1326 HydrophobicContact CB-CZ3 3.88Å; N1318-W1326 VanDerWaalsContact O-CE3 3.31Å; M1319-W1326 HydrophobicContact CB-CH2 4.32Å; M1319-W1326 HydrophobicContact CB-CZ2 4.48Å; M1319-W1326 HydrophobicContact CE-CZ2 4.43Å; M1319-W1326 HydrophobicContact CG-CZ2 4.43Å; I1322-W1326 PolarHBondContact O-N 3.49Å; R1323-W1326 PolarHBondContact O-N 3.36Å; W1326-R1328 PolarHBondContact O-N 2.96Å; W1326-I1329 HydrophobicContact CE3-CB 4.37Å; W1326-I1329 HydrophobicContact CE3-CD1 4.27Å; W1326-I1329 HydrophobicContact CE3-CG2 4.17Å; W1326-I1329 HydrophobicContact CZ3-CG2 4.02Å; W1326-I1329 WeakPolarHBondContact O-CB 3.48Å; W1326-I1329 PolarHBondContact O-N 3.47Å; W1326-W1330 HydrophobicContact CH2-CE3 4.35Å; W1326-W1330 AromaticContact CZ2-CE3 3.72Å; W1326-W1330 HydrophobicContact CZ2-CE3 3.72Å; W1326-W1330 HydrophobicContact CZ2-CZ3 4.25Å; W1326-W1330 VanDerWaalsContact O-CB 3.3Å; W1326-W1330 WeakPolarHBondContact O-CB 3.39Å; W1326-W1330 PolarHBondContact O-N 2.98Å; W1326-F1378 HydrophobicContact CZ2-CE2 4.18Å |
| 1327 | S | 85.8 | Confident | 88.6 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 49% | 0.49 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 175.7 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | R1323 Q1325 I1329 W1330 E1331 | R1323-S1327 WeakPolarHBondContact O-CB 3.3Å; R1323-S1327 PolarHBondContact O-N 3.48Å; R1323-S1327 PolarHBondContact O-OG 2.85Å; Q1325-S1327 VanDerWaalsContact C-N 3.31Å; Q1325-S1327 PolarHBondContact O-N 3.02Å; S1327-I1329 VanDerWaalsContact C-N 3.35Å; S1327-W1330 PolarHBondContact O-N 3.43Å; S1327-E1331 PolarHBondContact O-N 3.44Å |
| 1328 | R | 90.3 | Very high | 88.8 | Confident | 105 Ų | 105 | 45 Ų | 45 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.1 | -37.2 | 175.3 | -69.1 | 172.8 | 66.1 | -166.8 | -4.6 | 112.2 | D1281 V1284 L1324 Q1325 W1326 H1332 | D1281-R1328 IonicContact OD1-CZ 3.62Å; D1281-R1328 VanDerWaalsContact OD1-CZ 3.25Å; D1281-R1328 IonicContact OD1-NH1 3.15Å; D1281-R1328 PolarHBondContact OD1-NH1 3.5Å; D1281-R1328 IonicContact OD1-NH2 2.71Å; D1281-R1328 PolarHBondContact OD1-NH2 3.37Å; V1284-R1328 HydrophobicContact CG2-CB 3.78Å; L1324-R1328 WeakPolarHBondContact O-CG 3.38Å; L1324-R1328 PolarHBondContact O-N 3.02Å; Q1325-R1328 PolarHBondContact O-N 3.42Å; W1326-R1328 PolarHBondContact O-N 2.96Å; R1328-H1332 PolarHBondContact O-CD2 2.88Å |
| 1329 | I | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -48.8 | 173.8 | -67.5 | 166.7 | 0 | 0 | 0 | 110.5 | I1283 V1284 V1287 Q1325 W1326 S1327 E1331 H1332 I1333 | I1283-I1329 HydrophobicContact CB-CD1 4.39Å; I1283-I1329 HydrophobicContact CG1-CD1 3.76Å; I1283-I1329 HydrophobicContact CG1-CG1 4.27Å; I1283-I1329 HydrophobicContact CG2-CD1 3.63Å; I1283-I1329 HydrophobicContact CG2-CG1 4.02Å; V1284-I1329 HydrophobicContact CG2-CG1 3.97Å; V1287-I1329 HydrophobicContact CG1-CG2 4.2Å; V1287-I1329 HydrophobicContact CG2-CG2 4.01Å; Q1325-I1329 WeakPolarHBondContact O-CG1 3.5Å; Q1325-I1329 PolarHBondContact O-N 2.94Å; W1326-I1329 HydrophobicContact CE3-CB 4.37Å; W1326-I1329 HydrophobicContact CE3-CD1 4.27Å; W1326-I1329 HydrophobicContact CE3-CG2 4.17Å; W1326-I1329 HydrophobicContact CZ3-CG2 4.02Å; W1326-I1329 WeakPolarHBondContact O-CB 3.48Å; W1326-I1329 PolarHBondContact O-N 3.47Å; S1327-I1329 VanDerWaalsContact C-N 3.35Å; I1329-E1331 VanDerWaalsContact C-N 3.31Å; I1329-E1331 PolarHBondContact O-N 2.75Å; I1329-H1332 PolarHBondContact O-N 3.28Å; I1329-I1333 HydrophobicContact CG2-CD1 3.55Å; I1329-I1333 HydrophobicContact CG2-CG1 4.25Å; I1329-I1333 PolarHBondContact O-N 3.35Å; I1329-I1333 VanDerWaalsContact O-N 3.15Å |
| 1330 | W | 92.1 | Very high | 89.1 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 6% | 0.064 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.6 | -27.7 | -175.1 | -171.5 | -102.4 | 0 | 0 | 0 | 113 | W1326 S1327 H1332 I1333 G1334 F1337 L1356 L1359 E1377 F1378 P1381 | W1326-W1330 HydrophobicContact CH2-CE3 4.35Å; W1326-W1330 AromaticContact CZ2-CE3 3.72Å; W1326-W1330 HydrophobicContact CZ2-CE3 3.72Å; W1326-W1330 HydrophobicContact CZ2-CZ3 4.25Å; W1326-W1330 VanDerWaalsContact O-CB 3.3Å; W1326-W1330 WeakPolarHBondContact O-CB 3.39Å; W1326-W1330 PolarHBondContact O-N 2.98Å; S1327-W1330 PolarHBondContact O-N 3.43Å; W1330-H1332 PolarHBondContact O-N 3.3Å; W1330-I1333 HydrophobicContact CE3-CB 4.1Å; W1330-I1333 HydrophobicContact CE3-CG2 3.9Å; W1330-I1333 HydrophobicContact CH2-CG2 4.43Å; W1330-I1333 HydrophobicContact CZ3-CB 4.4Å; W1330-I1333 HydrophobicContact CZ3-CG2 3.68Å; W1330-I1333 PolarHBondContact O-N 2.84Å; W1330-G1334 WeakPolarHBondContact O-CA 3.28Å; W1330-G1334 PolarHBondContact O-N 3.24Å; W1330-F1337 HydrophobicContact CH2-CD2 4.07Å; W1330-F1337 HydrophobicContact CH2-CE2 4.16Å; W1330-F1337 HydrophobicContact CZ3-CD2 4.42Å; W1330-F1337 HydrophobicContact CZ3-CE2 4.21Å; W1330-L1356 HydrophobicContact CH2-CD2 4Å; W1330-L1356 HydrophobicContact CZ2-CD2 4.3Å; W1330-L1359 HydrophobicContact CZ3-CD1 4.46Å; W1330-E1377 PolarHBondContact NE1-O 2.86Å; W1330-F1378 AromaticContact CD2-CD2 3.69Å; W1330-F1378 HydrophobicContact CD2-CD2 3.69Å; W1330-F1378 AromaticContact CD2-CE2 3.79Å; W1330-F1378 HydrophobicContact CD2-CE2 3.79Å; W1330-F1378 AromaticContact CE2-CD2 3.4Å; W1330-F1378 VanDerWaalsContact CE2-CD2 3.4Å; W1330-F1378 AromaticContact CE2-CE2 3.71Å; W1330-F1378 AromaticContact CE3-CD2 3.95Å; W1330-F1378 HydrophobicContact CE3-CD2 3.95Å; W1330-F1378 AromaticContact CE3-CE2 3.54Å; W1330-F1378 HydrophobicContact CE3-CE2 3.54Å; W1330-F1378 HydrophobicContact CE3-CZ 4.45Å; W1330-F1378 HydrophobicContact CG-CD2 4.39Å; W1330-F1378 AromaticContact CH2-CD2 3.7Å; W1330-F1378 HydrophobicContact CH2-CD2 3.7Å; W1330-F1378 HydrophobicContact CH2-CE1 4.04Å; W1330-F1378 AromaticContact CH2-CE2 3.12Å; W1330-F1378 HydrophobicContact CH2-CE2 3.12Å; W1330-F1378 HydrophobicContact CH2-CG 4.4Å; W1330-F1378 AromaticContact CH2-CZ 3.3Å; W1330-F1378 HydrophobicContact CH2-CZ 3.3Å; W1330-F1378 HydrophobicContact CZ2-CD1 4.25Å; W1330-F1378 AromaticContact CZ2-CD2 3.41Å; W1330-F1378 HydrophobicContact CZ2-CD2 3.41Å; W1330-F1378 VanDerWaalsContact CZ2-CD2 3.41Å; W1330-F1378 HydrophobicContact CZ2-CE1 4.18Å; W1330-F1378 AromaticContact CZ2-CE2 3.39Å; W1330-F1378 HydrophobicContact CZ2-CE2 3.39Å; W1330-F1378 AromaticContact CZ2-CG 3.87Å; W1330-F1378 HydrophobicContact CZ2-CG 3.87Å; W1330-F1378 AromaticContact CZ2-CZ 3.76Å; W1330-F1378 HydrophobicContact CZ2-CZ 3.76Å; W1330-F1378 WeakPolarHBondContact CZ2-O 3.18Å; W1330-F1378 AromaticContact CZ3-CD2 3.97Å; W1330-F1378 HydrophobicContact CZ3-CD2 3.97Å; W1330-F1378 AromaticContact CZ3-CE2 3.21Å; W1330-F1378 HydrophobicContact CZ3-CE2 3.21Å; W1330-F1378 AromaticContact CZ3-CZ 3.71Å; W1330-F1378 HydrophobicContact CZ3-CZ 3.71Å; W1330-F1378 AromaticContact NE1-CD2 3.97Å; W1330-P1381 HydrophobicContact CZ2-CG 4.17Å |
| 1331 | E | 91.2 | Very high | 89.5 | Confident | 138 Ų | 138 | 44.9 Ų | 44.9 | 65% | 0.645 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -53.1 | -45.4 | 171.7 | -175.4 | -179.5 | 176.4 | 0 | 0 | 111.4 | S1327 I1329 S1335 | S1327-E1331 PolarHBondContact O-N 3.44Å; I1329-E1331 VanDerWaalsContact C-N 3.31Å; I1329-E1331 PolarHBondContact O-N 2.75Å; E1331-S1335 WeakPolarHBondContact O-CB 3.44Å; E1331-S1335 PolarHBondContact O-N 2.95Å |
| 1332 | H | 93.6 | Very high | 89.5 | Confident | 54 Ų | 54 | 47.7 Ų | 47.7 | 25% | 0.25 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.6 | -44.7 | 177.3 | -64.6 | -59.5 | 0 | 0 | 0 | 112.6 | V1287 R1328 I1329 W1330 H1336 | V1287-H1332 HydrophobicContact CG1-CB 4.12Å; R1328-H1332 PolarHBondContact O-CD2 2.88Å; I1329-H1332 PolarHBondContact O-N 3.28Å; W1330-H1332 PolarHBondContact O-N 3.3Å; H1332-H1336 VanDerWaalsContact O-CB 3.28Å; H1332-H1336 WeakPolarHBondContact O-CB 3.41Å; H1332-H1336 PolarHBondContact O-N 3.14Å |
| 1333 | I | 94.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.4 | -46.1 | -177.9 | -64.5 | -177.9 | 0 | 0 | 0 | 111.6 | V1287 V1311 S1315 I1329 W1330 H1336 F1337 | V1287-I1333 HydrophobicContact CG1-CD1 3.84Å; V1287-I1333 HydrophobicContact CG1-CG1 3.46Å; V1287-I1333 VanDerWaalsContact CG1-CG1 3.46Å; V1311-I1333 HydrophobicContact CG1-CG1 4.25Å; V1311-I1333 HydrophobicContact CG1-CG2 3.96Å; S1315-I1333 WeakPolarHBondContact OG-CD1 3.35Å; I1329-I1333 HydrophobicContact CG2-CD1 3.55Å; I1329-I1333 HydrophobicContact CG2-CG1 4.25Å; I1329-I1333 PolarHBondContact O-N 3.35Å; I1329-I1333 VanDerWaalsContact O-N 3.15Å; W1330-I1333 HydrophobicContact CE3-CB 4.1Å; W1330-I1333 HydrophobicContact CE3-CG2 3.9Å; W1330-I1333 HydrophobicContact CH2-CG2 4.43Å; W1330-I1333 HydrophobicContact CZ3-CB 4.4Å; W1330-I1333 HydrophobicContact CZ3-CG2 3.68Å; W1330-I1333 PolarHBondContact O-N 2.84Å; I1333-H1336 WeakPolarHBondContact O-CB 3.41Å; I1333-H1336 PolarHBondContact O-N 3.44Å; I1333-F1337 HydrophobicContact CG2-CD2 3.52Å; I1333-F1337 HydrophobicContact CG2-CE2 3.27Å; I1333-F1337 HydrophobicContact CG2-CZ 4.09Å; I1333-F1337 WeakPolarHBondContact O-CD2 3.46Å; I1333-F1337 PolarHBondContact O-N 3.3Å |
| 1334 | G | 92.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 6% | 0.062 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1330 T1338 | W1330-G1334 WeakPolarHBondContact O-CA 3.28Å; W1330-G1334 PolarHBondContact O-N 3.24Å; G1334-T1338 WeakPolarHBondContact O-CB 3.3Å; G1334-T1338 PolarHBondContact O-N 3.19Å; G1334-T1338 PolarHBondContact O-OG1 3.45Å |
| 1335 | S | 91.9 | Very high | 89.8 | Confident | 73 Ų | 73 | 46 Ų | 46 | 51% | 0.51 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 171 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | E1331 T1338 T1339 | E1331-S1335 WeakPolarHBondContact O-CB 3.44Å; E1331-S1335 PolarHBondContact O-N 2.95Å; S1335-T1338 WeakPolarHBondContact O-CB 3.42Å; S1335-T1338 PolarHBondContact O-N 3.24Å; S1335-T1339 PolarHBondContact O-N 2.84Å; S1335-T1339 PolarHBondContact O-OG1 2.8Å |
| 1336 | H | 94.8 | Very high | 90 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 176.5 | -169.7 | 59.2 | 0 | 0 | 0 | 112.9 | C1291 S1294 H1332 I1333 T1338 T1339 A1340 | C1291-H1336 HydrophobicContact CB-CB 4.04Å; C1291-H1336 PolarHBondContact O-CE1 2.95Å; C1291-H1336 VanDerWaalsContact O-CE1 3.32Å; S1294-H1336 VanDerWaalsContact CB-NE2 3.27Å; S1294-H1336 WeakPolarHBondContact CB-NE2 3.48Å; S1294-H1336 PolarHBondContact OG-NE2 2.75Å; H1332-H1336 VanDerWaalsContact O-CB 3.28Å; H1332-H1336 WeakPolarHBondContact O-CB 3.41Å; H1332-H1336 PolarHBondContact O-N 3.14Å; I1333-H1336 WeakPolarHBondContact O-CB 3.41Å; I1333-H1336 PolarHBondContact O-N 3.44Å; H1336-T1338 VanDerWaalsContact C-N 3.3Å; H1336-T1338 PolarHBondContact O-N 2.97Å; H1336-T1339 PolarHBondContact O-N 3.24Å; H1336-T1339 VanDerWaalsContact O-N 3.09Å; H1336-A1340 WeakPolarHBondContact O-CB 3.33Å; H1336-A1340 PolarHBondContact O-N 3.32Å |
| 1337 | F | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -35.7 | 174.7 | -78 | -42.1 | 0 | 0 | 0 | 112.6 | L1308 V1311 V1312 W1330 I1333 T1339 G1341 V1352 L1356 L1359 | L1308-F1337 HydrophobicContact CD1-CD1 4.35Å; L1308-F1337 HydrophobicContact CD1-CE1 4.19Å; V1311-F1337 HydrophobicContact CG1-CE1 4.46Å; V1311-F1337 HydrophobicContact CG1-CZ 4.17Å; V1312-F1337 HydrophobicContact CG2-CE1 3.83Å; V1312-F1337 HydrophobicContact CG2-CZ 3.75Å; W1330-F1337 HydrophobicContact CH2-CD2 4.07Å; W1330-F1337 HydrophobicContact CH2-CE2 4.16Å; W1330-F1337 HydrophobicContact CZ3-CD2 4.42Å; W1330-F1337 HydrophobicContact CZ3-CE2 4.21Å; I1333-F1337 HydrophobicContact CG2-CD2 3.52Å; I1333-F1337 HydrophobicContact CG2-CE2 3.27Å; I1333-F1337 HydrophobicContact CG2-CZ 4.09Å; I1333-F1337 WeakPolarHBondContact O-CD2 3.46Å; I1333-F1337 PolarHBondContact O-N 3.3Å; F1337-T1339 VanDerWaalsContact C-N 3.28Å; F1337-T1339 PolarHBondContact O-N 2.7Å; F1337-G1341 WeakPolarHBondContact O-CA 3.41Å; F1337-G1341 PolarHBondContact O-N 3.01Å; F1337-V1352 HydrophobicContact CB-CG1 4Å; F1337-V1352 HydrophobicContact CD1-CG1 3.71Å; F1337-V1352 HydrophobicContact CD1-CG2 4.35Å; F1337-V1352 HydrophobicContact CG-CG1 4.2Å; F1337-V1352 WeakPolarHBondContact O-CG1 3.49Å; F1337-L1356 HydrophobicContact CB-CD1 4.26Å; F1337-L1356 HydrophobicContact CB-CD2 4.06Å; F1337-L1356 HydrophobicContact CB-CG 4.31Å; F1337-L1356 HydrophobicContact CD2-CD2 3.51Å; F1337-L1356 HydrophobicContact CD2-CG 4.23Å; F1337-L1356 HydrophobicContact CE2-CD2 4.12Å; F1337-L1356 HydrophobicContact CG-CD2 3.93Å; F1337-L1356 HydrophobicContact CG-CG 4.22Å; F1337-L1359 HydrophobicContact CE2-CD1 3.85Å; F1337-L1359 HydrophobicContact CZ-CD1 4.09Å |
| 1338 | T | 91.6 | Very high | 90.1 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 173.7 | -58.4 | 0 | 0 | 0 | 0 | 111 | G1334 S1335 H1336 R1342 N1384 | G1334-T1338 WeakPolarHBondContact O-CB 3.3Å; G1334-T1338 PolarHBondContact O-N 3.19Å; G1334-T1338 PolarHBondContact O-OG1 3.45Å; S1335-T1338 WeakPolarHBondContact O-CB 3.42Å; S1335-T1338 PolarHBondContact O-N 3.24Å; H1336-T1338 VanDerWaalsContact C-N 3.3Å; H1336-T1338 PolarHBondContact O-N 2.97Å; T1338-R1342 WeakPolarHBondContact O-CD 3.4Å; T1338-R1342 VanDerWaalsContact O-CG 3.29Å; T1338-R1342 WeakPolarHBondContact O-CG 3.27Å; T1338-N1384 HydrophobicContact CG2-CB 3.48Å; T1338-N1384 VanDerWaalsContact CG2-CB 3.48Å |
| 1339 | T | 89.7 | Confident | 90.1 | Very high | 69 Ų | 69 | 45 Ų | 45 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74 | -46.4 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 111 | S1335 H1336 F1337 R1342 | S1335-T1339 PolarHBondContact O-N 2.84Å; S1335-T1339 PolarHBondContact O-OG1 2.8Å; H1336-T1339 PolarHBondContact O-N 3.24Å; H1336-T1339 VanDerWaalsContact O-N 3.09Å; F1337-T1339 VanDerWaalsContact C-N 3.28Å; F1337-T1339 PolarHBondContact O-N 2.7Å; T1339-R1342 PolarHBondContact O-N 3.06Å |
| 1340 | A | 91.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.4 | -34 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1298 L1308 H1336 R1342 S1343 V1352 | L1298-A1340 HydrophobicContact CD1-CB 3.71Å; L1308-A1340 HydrophobicContact CD1-CB 4.21Å; L1308-A1340 HydrophobicContact CD2-CB 4.5Å; H1336-A1340 WeakPolarHBondContact O-CB 3.33Å; H1336-A1340 PolarHBondContact O-N 3.32Å; A1340-R1342 PolarHBondContact O-N 3.35Å; A1340-S1343 WeakPolarHBondContact O-CB 3.24Å; A1340-S1343 PolarHBondContact O-N 3.29Å; A1340-S1343 VanDerWaalsContact O-N 3.15Å; A1340-S1343 PolarHBondContact O-OG 3.4Å; A1340-V1352 HydrophobicContact CB-CG2 3.65Å |
| 1341 | G | 89.4 | Confident | 90.1 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1337 | F1337-G1341 WeakPolarHBondContact O-CA 3.41Å; F1337-G1341 PolarHBondContact O-N 3.01Å |
| 1342 | R | 86.6 | Confident | 90.2 | Very high | 99 Ų | 99 | 43.7 Ų | 43.7 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 15.5 | 175 | -64.2 | 175.6 | -176.5 | 172.8 | 3.9 | 112.6 | T1338 T1339 A1340 N1384 T1388 | T1338-R1342 WeakPolarHBondContact O-CD 3.4Å; T1338-R1342 VanDerWaalsContact O-CG 3.29Å; T1338-R1342 WeakPolarHBondContact O-CG 3.27Å; T1339-R1342 PolarHBondContact O-N 3.06Å; A1340-R1342 PolarHBondContact O-N 3.35Å; R1342-N1384 PolarHBondContact NE-O 3.49Å; R1342-N1384 VanDerWaalsContact NH2-C 3.34Å; R1342-N1384 PolarHBondContact NH2-O 3.28Å; R1342-T1388 VanDerWaalsContact CZ-OG1 3.3Å; R1342-T1388 VanDerWaalsContact NH2-CB 3.3Å; R1342-T1388 PolarHBondContact NH2-OG1 2.65Å |
| 1343 | S | 86 | Confident | 90.1 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | trans | -58.6 | 148.5 | 175.1 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | A1340 D1345 V1348 A1349 | A1340-S1343 WeakPolarHBondContact O-CB 3.24Å; A1340-S1343 PolarHBondContact O-N 3.29Å; A1340-S1343 VanDerWaalsContact O-N 3.15Å; A1340-S1343 PolarHBondContact O-OG 3.4Å; S1343-D1345 PolarHBondContact O-N 3.27Å; S1343-D1345 PolarHBondContact OG-O 2.87Å; S1343-V1348 WeakPolarHBondContact OG-CB 3.39Å; S1343-V1348 WeakPolarHBondContact OG-CG1 3.44Å; S1343-A1349 PolarHBondContact OG-N 3.44Å | ||
| 1344 | V | 82 | Confident | 90 | Very high | 152 Ų | 152 | 43.4 Ų | 43.4 | 92% | 0.921 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -64.6 | -27.1 | 171.4 | -176.5 | 0 | 0 | 0 | 0 | 111 | E1346 | V1344-E1346 PolarHBondContact O-N 2.65Š|
| 1345 | D | 85.8 | Confident | 90 | Very high | 59 Ų | 59 | 43.2 Ų | 43.2 | 32% | 0.316 | 23% | 0.234 | S | C | . | . | trans | -76.1 | 112.1 | 172.6 | -168.2 | -28.1 | 0 | 0 | 0 | 110.2 | S1343 D1347 V1348 A1349 | S1343-D1345 PolarHBondContact O-N 3.27Å; S1343-D1345 PolarHBondContact OG-O 2.87Å; D1345-D1347 VanDerWaalsContact C-N 3.29Å; D1345-D1347 PolarHBondContact O-N 3.32Å; D1345-D1347 WeakPolarHBondContact OD1-CB 3.48Å; D1345-D1347 PolarHBondContact OD1-N 3.15Å; D1345-V1348 HydrophobicContact CB-CB 4.21Å; D1345-V1348 HydrophobicContact CB-CG2 3.9Å; D1345-V1348 PolarHBondContact O-N 3.1Å; D1345-A1349 PolarHBondContact O-N 3.41Å | ||
| 1346 | E | 86.6 | Confident | 90 | Very high | 93 Ų | 93 | 39.8 Ų | 39.8 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65 | -31.1 | -179.5 | -69.4 | -166.2 | 155.4 | 0 | 0 | 112.7 | V1344 V1348 A1349 E1350 S1393 | V1344-E1346 PolarHBondContact O-N 2.65Å; E1346-V1348 VanDerWaalsContact C-N 3.33Å; E1346-A1349 PolarHBondContact O-N 2.71Å; E1346-E1350 WeakPolarHBondContact O-CB 3.45Å; E1346-E1350 PolarHBondContact O-N 3.22Å; E1346-S1393 WeakPolarHBondContact OE1-CB 3.44Å; E1346-S1393 PolarHBondContact OE1-OG 3.46Å |
| 1347 | D | 87.2 | Confident | 89.8 | Confident | 116 Ų | 116 | 42.3 Ų | 42.3 | 62% | 0.62 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -69.9 | -36.1 | -178.3 | -69.3 | -29.2 | 0 | 0 | 0 | 110.5 | D1345 F1351 | D1345-D1347 VanDerWaalsContact C-N 3.29Å; D1345-D1347 PolarHBondContact O-N 3.32Å; D1345-D1347 WeakPolarHBondContact OD1-CB 3.48Å; D1345-D1347 PolarHBondContact OD1-N 3.15Å; D1347-F1351 WeakPolarHBondContact O-CB 3.5Å; D1347-F1351 PolarHBondContact O-N 3Å |
| 1348 | V | 90.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -46 | 173.1 | 175 | 0 | 0 | 0 | 0 | 110.5 | L1298 A1303 T1305 L1308 S1343 D1345 E1346 E1350 F1351 V1352 | L1298-V1348 HydrophobicContact CD1-CG1 4.39Å; L1298-V1348 HydrophobicContact CD2-CG1 3.67Å; L1298-V1348 HydrophobicContact CD2-CG2 4.02Å; A1303-V1348 HydrophobicContact CB-CG2 4.05Å; T1305-V1348 HydrophobicContact CG2-CG2 3.82Å; L1308-V1348 HydrophobicContact CD2-CG1 4Å; S1343-V1348 WeakPolarHBondContact OG-CB 3.39Å; S1343-V1348 WeakPolarHBondContact OG-CG1 3.44Å; D1345-V1348 HydrophobicContact CB-CB 4.21Å; D1345-V1348 HydrophobicContact CB-CG2 3.9Å; D1345-V1348 PolarHBondContact O-N 3.1Å; E1346-V1348 VanDerWaalsContact C-N 3.33Å; V1348-E1350 PolarHBondContact O-N 3.09Å; V1348-F1351 PolarHBondContact O-N 2.98Å; V1348-V1352 WeakPolarHBondContact O-CG2 3.48Å; V1348-V1352 PolarHBondContact O-N 2.99Å |
| 1349 | A | 90.5 | Very high | 89.5 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1343 D1345 E1346 V1352 V1353 V1396 | S1343-A1349 PolarHBondContact OG-N 3.44Å; D1345-A1349 PolarHBondContact O-N 3.41Å; E1346-A1349 PolarHBondContact O-N 2.71Å; A1349-V1352 PolarHBondContact O-N 3.22Å; A1349-V1353 WeakPolarHBondContact O-CG2 3.41Å; A1349-V1353 PolarHBondContact O-N 3.16Å; A1349-V1396 HydrophobicContact CB-CG2 3.9Å |
| 1350 | E | 90.6 | Very high | 89.4 | Confident | 66 Ų | 66 | 42.4 Ų | 42.4 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59 | -46.8 | 174 | 166.7 | 157.7 | -163.2 | 0 | 0 | 111.5 | E1346 V1348 V1352 V1353 D1354 K1395 M1399 | E1346-E1350 WeakPolarHBondContact O-CB 3.45Å; E1346-E1350 PolarHBondContact O-N 3.22Å; V1348-E1350 PolarHBondContact O-N 3.09Å; E1350-V1352 VanDerWaalsContact C-N 3.35Å; E1350-V1352 PolarHBondContact O-N 3.02Å; E1350-V1353 PolarHBondContact O-N 3.48Å; E1350-D1354 PolarHBondContact O-N 2.85Å; E1350-K1395 VanDerWaalsContact OE2-CE 3.27Å; E1350-K1395 WeakPolarHBondContact OE2-CE 3.34Å; E1350-K1395 IonicContact OE2-NZ 2.7Å; E1350-K1395 PolarHBondContact OE2-NZ 3.45Å; E1350-M1399 HydrophobicContact CB-SD 3.93Å; E1350-M1399 HydrophobicContact CG-CE 3.85Å; E1350-M1399 HydrophobicContact CG-SD 3.57Å; E1350-M1399 VanDerWaalsContact CG-SD 3.57Å; E1350-M1399 WeakPolarHBondContact O-CE 3.23Å |
| 1351 | F | 92.6 | Very high | 89.1 | Confident | 61 Ų | 61 | 43.9 Ų | 43.9 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 176.4 | 177.6 | -95.7 | 0 | 0 | 0 | 112.5 | L1308 Q1309 V1312 D1347 V1348 S1355 | L1308-F1351 HydrophobicContact CD2-CD1 3.73Å; L1308-F1351 HydrophobicContact CD2-CE1 4.1Å; L1308-F1351 HydrophobicContact CG-CD1 4.06Å; L1308-F1351 HydrophobicContact CG-CE1 3.91Å; Q1309-F1351 HydrophobicContact CB-CZ 4.24Å; Q1309-F1351 HydrophobicContact CG-CE1 4.07Å; Q1309-F1351 HydrophobicContact CG-CE2 3.96Å; Q1309-F1351 HydrophobicContact CG-CZ 3.44Å; Q1309-F1351 VanDerWaalsContact CG-CZ 3.44Å; V1312-F1351 HydrophobicContact CG2-CE1 4Å; V1312-F1351 HydrophobicContact CG2-CZ 4.2Å; D1347-F1351 WeakPolarHBondContact O-CB 3.5Å; D1347-F1351 PolarHBondContact O-N 3Å; V1348-F1351 PolarHBondContact O-N 2.98Å; F1351-S1355 VanDerWaalsContact O-CB 3.3Å; F1351-S1355 WeakPolarHBondContact O-CB 3.47Å; F1351-S1355 PolarHBondContact O-N 3.35Å; F1351-S1355 PolarHBondContact O-OG 2.84Å |
| 1352 | V | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 179.3 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | L1308 F1337 A1340 V1348 A1349 E1350 D1354 S1355 L1356 | L1308-V1352 HydrophobicContact CD1-CG2 4.27Å; L1308-V1352 HydrophobicContact CD2-CG2 3.78Å; L1308-V1352 HydrophobicContact CG-CG2 4.48Å; F1337-V1352 HydrophobicContact CB-CG1 4Å; F1337-V1352 HydrophobicContact CD1-CG1 3.71Å; F1337-V1352 HydrophobicContact CD1-CG2 4.35Å; F1337-V1352 HydrophobicContact CG-CG1 4.2Å; F1337-V1352 WeakPolarHBondContact O-CG1 3.49Å; A1340-V1352 HydrophobicContact CB-CG2 3.65Å; V1348-V1352 WeakPolarHBondContact O-CG2 3.48Å; V1348-V1352 PolarHBondContact O-N 2.99Å; A1349-V1352 PolarHBondContact O-N 3.22Å; E1350-V1352 VanDerWaalsContact C-N 3.35Å; E1350-V1352 PolarHBondContact O-N 3.02Å; V1352-D1354 PolarHBondContact O-N 3.35Å; V1352-S1355 PolarHBondContact O-N 3.32Å; V1352-L1356 HydrophobicContact CG1-CD1 4.08Å; V1352-L1356 HydrophobicContact CG1-CG 4.39Å; V1352-L1356 WeakPolarHBondContact O-CB 3.27Å; V1352-L1356 WeakPolarHBondContact O-CG 3.44Å; V1352-L1356 PolarHBondContact O-N 3.11Å |
| 1353 | V | 91.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | -179.9 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | A1349 E1350 S1355 L1356 R1357 F1382 V1396 M1399 I1400 | A1349-V1353 WeakPolarHBondContact O-CG2 3.41Å; A1349-V1353 PolarHBondContact O-N 3.16Å; E1350-V1353 PolarHBondContact O-N 3.48Å; V1353-S1355 VanDerWaalsContact C-N 3.34Å; V1353-L1356 PolarHBondContact O-N 3.05Å; V1353-R1357 WeakPolarHBondContact O-CB 3.22Å; V1353-R1357 PolarHBondContact O-N 3.39Å; V1353-F1382 HydrophobicContact CG1-CE1 4.41Å; V1353-V1396 HydrophobicContact CG2-CG1 3.91Å; V1353-M1399 HydrophobicContact CB-CE 4.44Å; V1353-M1399 HydrophobicContact CG1-CB 3.73Å; V1353-M1399 HydrophobicContact CG1-CE 4.32Å; V1353-I1400 HydrophobicContact CB-CG1 4.46Å; V1353-I1400 HydrophobicContact CG1-CG1 3.69Å; V1353-I1400 HydrophobicContact CG2-CD1 4.16Å; V1353-I1400 HydrophobicContact CG2-CG1 3.82Å |
| 1354 | D | 91.1 | Very high | 88.6 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.2 | -38.1 | 175.1 | -172.3 | 59.4 | 0 | 0 | 0 | 112.1 | E1350 V1352 R1357 Q1358 M1399 | E1350-D1354 PolarHBondContact O-N 2.85Å; V1352-D1354 PolarHBondContact O-N 3.35Å; D1354-R1357 WeakPolarHBondContact O-CB 3.41Å; D1354-R1357 PolarHBondContact O-N 3.08Å; D1354-R1357 IonicContact OD1-CZ 2.73Å; D1354-R1357 VanDerWaalsContact OD1-CZ 3.24Å; D1354-R1357 IonicContact OD1-NE 3.12Å; D1354-R1357 PolarHBondContact OD1-NE 2.99Å; D1354-R1357 IonicContact OD1-NH2 2.84Å; D1354-R1357 PolarHBondContact OD1-NH2 3.09Å; D1354-R1357 IonicContact OD2-NH2 2.65Å; D1354-Q1358 WeakPolarHBondContact O-CG 3.44Å; D1354-Q1358 PolarHBondContact O-N 3.34Å; D1354-Q1358 PolarHBondContact OD2-NE2 2.86Å; D1354-M1399 HydrophobicContact CB-CE 4.09Å |
| 1355 | S | 92.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | 175.9 | -62 | 0 | 0 | 0 | 0 | 112.2 | V1312 F1351 V1352 V1353 R1357 Q1358 L1359 | V1312-S1355 WeakPolarHBondContact CG2-OG 3.49Å; F1351-S1355 VanDerWaalsContact O-CB 3.3Å; F1351-S1355 WeakPolarHBondContact O-CB 3.47Å; F1351-S1355 PolarHBondContact O-N 3.35Å; F1351-S1355 PolarHBondContact O-OG 2.84Å; V1352-S1355 PolarHBondContact O-N 3.32Å; V1353-S1355 VanDerWaalsContact C-N 3.34Å; S1355-R1357 VanDerWaalsContact C-N 3.29Å; S1355-R1357 PolarHBondContact O-N 3.42Å; S1355-Q1358 PolarHBondContact O-N 2.67Å; S1355-L1359 WeakPolarHBondContact O-CG 3.28Å; S1355-L1359 PolarHBondContact O-N 2.84Å |
| 1356 | L | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 173.7 | -78.2 | 173.5 | 0 | 0 | 0 | 111.1 | W1330 F1337 V1352 V1353 L1359 S1360 P1381 F1382 I1385 | W1330-L1356 HydrophobicContact CH2-CD2 4Å; W1330-L1356 HydrophobicContact CZ2-CD2 4.3Å; F1337-L1356 HydrophobicContact CB-CD1 4.26Å; F1337-L1356 HydrophobicContact CB-CD2 4.06Å; F1337-L1356 HydrophobicContact CB-CG 4.31Å; F1337-L1356 HydrophobicContact CD2-CD2 3.51Å; F1337-L1356 HydrophobicContact CD2-CG 4.23Å; F1337-L1356 HydrophobicContact CE2-CD2 4.12Å; F1337-L1356 HydrophobicContact CG-CD2 3.93Å; F1337-L1356 HydrophobicContact CG-CG 4.22Å; V1352-L1356 HydrophobicContact CG1-CD1 4.08Å; V1352-L1356 HydrophobicContact CG1-CG 4.39Å; V1352-L1356 WeakPolarHBondContact O-CB 3.27Å; V1352-L1356 WeakPolarHBondContact O-CG 3.44Å; V1352-L1356 PolarHBondContact O-N 3.11Å; V1353-L1356 PolarHBondContact O-N 3.05Å; L1356-L1359 PolarHBondContact O-N 3.36Å; L1356-S1360 VanDerWaalsContact O-CB 3.22Å; L1356-S1360 WeakPolarHBondContact O-CB 3.4Å; L1356-S1360 PolarHBondContact O-N 3.49Å; L1356-S1360 PolarHBondContact O-OG 2.68Å; L1356-P1381 HydrophobicContact CD1-CB 3.93Å; L1356-P1381 HydrophobicContact CD2-CB 4.22Å; L1356-P1381 HydrophobicContact CD2-CG 4.45Å; L1356-F1382 HydrophobicContact CB-CE1 3.82Å; L1356-F1382 HydrophobicContact CB-CE2 4.3Å; L1356-F1382 HydrophobicContact CB-CZ 3.58Å; L1356-F1382 HydrophobicContact CD1-CD1 4.49Å; L1356-F1382 HydrophobicContact CD1-CE1 4.33Å; L1356-I1385 HydrophobicContact CD1-CD1 4.02Å |
| 1357 | R | 90.4 | Very high | 87.4 | Confident | 65 Ų | 65 | 38.4 Ų | 38.4 | 25% | 0.245 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.6 | -52.2 | 174.5 | 178.4 | -175 | 74.6 | 79.7 | 9.5 | 111.1 | V1353 D1354 S1355 L1359 S1360 V1361 C1403 | V1353-R1357 WeakPolarHBondContact O-CB 3.22Å; V1353-R1357 PolarHBondContact O-N 3.39Å; D1354-R1357 WeakPolarHBondContact O-CB 3.41Å; D1354-R1357 PolarHBondContact O-N 3.08Å; D1354-R1357 IonicContact OD1-CZ 2.73Å; D1354-R1357 VanDerWaalsContact OD1-CZ 3.24Å; D1354-R1357 IonicContact OD1-NE 3.12Å; D1354-R1357 PolarHBondContact OD1-NE 2.99Å; D1354-R1357 IonicContact OD1-NH2 2.84Å; D1354-R1357 PolarHBondContact OD1-NH2 3.09Å; D1354-R1357 IonicContact OD2-NH2 2.65Å; S1355-R1357 VanDerWaalsContact C-N 3.29Å; S1355-R1357 PolarHBondContact O-N 3.42Å; R1357-L1359 VanDerWaalsContact C-N 3.34Å; R1357-L1359 PolarHBondContact O-N 3.4Å; R1357-S1360 PolarHBondContact O-N 3.27Å; R1357-V1361 WeakPolarHBondContact O-CG2 3.26Å; R1357-V1361 PolarHBondContact O-N 3.39Å; R1357-C1403 HydrophobicContact CB-CB 4.07Å; R1357-C1403 WeakPolarHBondContact CB-SG 3.46Å; R1357-C1403 HydrophobicContact CG-CB 3.94Å; R1357-C1403 WeakPolarHBondContact CG-SG 3.14Å |
| 1358 | Q | 90.4 | Very high | 86.9 | Confident | 78 Ų | 78 | 34.1 Ų | 34.1 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60 | -43.6 | -178.8 | -69 | -178.5 | 44.4 | 0 | 0 | 112.2 | D1354 S1355 K1362 | D1354-Q1358 WeakPolarHBondContact O-CG 3.44Å; D1354-Q1358 PolarHBondContact O-N 3.34Å; D1354-Q1358 PolarHBondContact OD2-NE2 2.86Å; S1355-Q1358 PolarHBondContact O-N 2.67Å; Q1358-K1362 PolarHBondContact O-N 2.82Å |
| 1359 | L | 89.1 | Confident | 85.9 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69 | -37.6 | 177.6 | -62.7 | 170.6 | 0 | 0 | 0 | 111.7 | M1319 W1330 F1337 S1355 L1356 R1357 K1362 L1363 F1378 | M1319-L1359 HydrophobicContact CE-CB 4.22Å; M1319-L1359 HydrophobicContact CE-CD2 4.32Å; M1319-L1359 WeakPolarHBondContact CE-O 3.46Å; W1330-L1359 HydrophobicContact CZ3-CD1 4.46Å; F1337-L1359 HydrophobicContact CE2-CD1 3.85Å; F1337-L1359 HydrophobicContact CZ-CD1 4.09Å; S1355-L1359 WeakPolarHBondContact O-CG 3.28Å; S1355-L1359 PolarHBondContact O-N 2.84Å; L1356-L1359 PolarHBondContact O-N 3.36Å; R1357-L1359 VanDerWaalsContact C-N 3.34Å; R1357-L1359 PolarHBondContact O-N 3.4Å; L1359-K1362 PolarHBondContact O-N 3.1Å; L1359-L1363 WeakPolarHBondContact O-CB 3.47Å; L1359-L1363 PolarHBondContact O-N 2.92Å; L1359-F1378 HydrophobicContact CB-CE1 4.27Å; L1359-F1378 HydrophobicContact CB-CZ 3.7Å |
| 1360 | S | 88.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 178.7 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | L1356 R1357 L1363 I1364 F1378 L1379 F1382 | L1356-S1360 VanDerWaalsContact O-CB 3.22Å; L1356-S1360 WeakPolarHBondContact O-CB 3.4Å; L1356-S1360 PolarHBondContact O-N 3.49Å; L1356-S1360 PolarHBondContact O-OG 2.68Å; R1357-S1360 PolarHBondContact O-N 3.27Å; S1360-L1363 PolarHBondContact O-N 2.85Å; S1360-I1364 WeakPolarHBondContact O-CB 3.25Å; S1360-I1364 WeakPolarHBondContact O-CG1 3.48Å; S1360-I1364 PolarHBondContact O-N 3.42Å; S1360-F1378 WeakPolarHBondContact OG-CE1 3.15Å; S1360-L1379 WeakPolarHBondContact OG-CD2 3.26Å; S1360-F1382 WeakPolarHBondContact OG-CE2 3.48Å |
| 1361 | V | 85.4 | Confident | 83.1 | Confident | 32 Ų | 32 | 45 Ų | 45 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -50.1 | 177.5 | 173 | 0 | 0 | 0 | 0 | 110.4 | R1357 L1363 I1364 E1365 L1407 | R1357-V1361 WeakPolarHBondContact O-CG2 3.26Å; R1357-V1361 PolarHBondContact O-N 3.39Å; V1361-L1363 PolarHBondContact O-N 3.14Å; V1361-I1364 PolarHBondContact O-N 2.91Å; V1361-E1365 WeakPolarHBondContact O-CG 3.36Å; V1361-E1365 PolarHBondContact O-N 3.36Å; V1361-L1407 HydrophobicContact CG2-CD1 4.14Å |
| 1362 | K | 83.3 | Confident | 82 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 27% | 0.274 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.9 | -32.6 | -179.2 | -67.9 | -163.1 | -174.6 | 174.4 | 0 | 113.9 | Y1316 M1319 Q1358 L1359 | Y1316-K1362 HydrophobicContact CD2-CD 3.7Å; Y1316-K1362 HydrophobicContact CE2-CD 3.17Å; Y1316-K1362 PolarHBondContact OH-NZ 3.31Å; M1319-K1362 HydrophobicContact SD-CB 4.41Å; Q1358-K1362 PolarHBondContact O-N 2.82Å; L1359-K1362 PolarHBondContact O-N 3.1Å |
| 1363 | L | 82.9 | Confident | 81.3 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.2 | -42.2 | 177.9 | -171.5 | 80.1 | 0 | 0 | 0 | 111.3 | M1319 L1359 S1360 V1361 E1365 K1366 F1374 F1378 | M1319-L1363 HydrophobicContact CE-CB 3.69Å; M1319-L1363 HydrophobicContact CE-CD1 3.78Å; M1319-L1363 HydrophobicContact CE-CG 4.28Å; M1319-L1363 HydrophobicContact CG-CD1 3.65Å; M1319-L1363 HydrophobicContact SD-CB 3.91Å; M1319-L1363 HydrophobicContact SD-CD1 3.72Å; M1319-L1363 HydrophobicContact SD-CG 4.42Å; L1359-L1363 WeakPolarHBondContact O-CB 3.47Å; L1359-L1363 PolarHBondContact O-N 2.92Å; S1360-L1363 PolarHBondContact O-N 2.85Å; V1361-L1363 PolarHBondContact O-N 3.14Å; L1363-E1365 VanDerWaalsContact C-N 3.28Å; L1363-E1365 PolarHBondContact O-N 3.13Å; L1363-K1366 WeakPolarHBondContact O-CB 3.46Å; L1363-K1366 PolarHBondContact O-N 3.11Å; L1363-K1366 VanDerWaalsContact O-N 3.09Å; L1363-F1374 HydrophobicContact CD1-CD2 4.48Å; L1363-F1374 HydrophobicContact CD1-CE2 4.09Å; L1363-F1374 HydrophobicContact CD2-CD2 3.71Å; L1363-F1374 HydrophobicContact CD2-CE2 3.5Å; L1363-F1374 VanDerWaalsContact CD2-CE2 3.5Å; L1363-F1374 HydrophobicContact CG-CD2 4.22Å; L1363-F1374 HydrophobicContact CG-CE2 3.6Å; L1363-F1374 HydrophobicContact CG-CZ 4.5Å; L1363-F1378 HydrophobicContact CB-CE1 4.45Å; L1363-F1378 HydrophobicContact CD2-CB 3.6Å; L1363-F1378 HydrophobicContact CD2-CD1 3.5Å; L1363-F1378 HydrophobicContact CD2-CD2 3.34Å; L1363-F1378 HydrophobicContact CD2-CE1 3.99Å; L1363-F1378 HydrophobicContact CD2-CE2 3.8Å; L1363-F1378 HydrophobicContact CD2-CG 3.15Å; L1363-F1378 HydrophobicContact CD2-CZ 4.12Å |
| 1364 | I | 83.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -33.5 | -178.2 | -76 | 166.1 | 0 | 0 | 0 | 111 | S1360 V1361 K1366 G1367 L1379 L1407 Q1411 N1414 I1415 | S1360-I1364 WeakPolarHBondContact O-CB 3.25Å; S1360-I1364 WeakPolarHBondContact O-CG1 3.48Å; S1360-I1364 PolarHBondContact O-N 3.42Å; V1361-I1364 PolarHBondContact O-N 2.91Å; I1364-K1366 PolarHBondContact O-N 2.85Å; I1364-G1367 PolarHBondContact O-N 3.33Å; I1364-G1367 VanDerWaalsContact O-N 3.08Å; I1364-L1379 HydrophobicContact CD1-CD1 4.42Å; I1364-L1407 HydrophobicContact CD1-CD1 3.43Å; I1364-L1407 VanDerWaalsContact CD1-CD1 3.43Å; I1364-L1407 HydrophobicContact CD1-CD2 3.5Å; I1364-L1407 VanDerWaalsContact CD1-CD2 3.5Å; I1364-L1407 HydrophobicContact CD1-CG 3.77Å; I1364-Q1411 HydrophobicContact CG2-CB 3.71Å; I1364-Q1411 HydrophobicContact CG2-CG 4.28Å; I1364-N1414 HydrophobicContact CG2-CB 3.84Å; I1364-I1415 HydrophobicContact CD1-CG1 4.38Å; I1364-I1415 HydrophobicContact CG2-CG1 4Å |
| 1365 | E | 81.6 | Confident | 80.6 | Confident | 107 Ų | 107 | 51.1 Ų | 51.1 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -25.1 | 172.1 | -75 | 171.2 | 179.2 | 0 | 0 | 113.9 | V1361 L1363 G1367 Q1411 | V1361-E1365 WeakPolarHBondContact O-CG 3.36Å; V1361-E1365 PolarHBondContact O-N 3.36Å; L1363-E1365 VanDerWaalsContact C-N 3.28Å; L1363-E1365 PolarHBondContact O-N 3.13Å; E1365-G1367 VanDerWaalsContact C-N 3.31Å; E1365-G1367 PolarHBondContact O-N 3.45Å; E1365-Q1411 PolarHBondContact OE1-NE2 3.01Å |
| 1366 | K | 74.3 | Confident | 80.3 | Confident | 122 Ų | 122 | 53.7 Ų | 53.7 | 53% | 0.53 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -14.4 | 177.9 | -64.8 | -170.1 | 178.8 | -169.8 | 0 | 114 | M1319 L1363 I1364 | M1319-K1366 VanDerWaalsContact C-NZ 3.33Å; M1319-K1366 PolarHBondContact O-NZ 3.12Å; L1363-K1366 WeakPolarHBondContact O-CB 3.46Å; L1363-K1366 PolarHBondContact O-N 3.11Å; L1363-K1366 VanDerWaalsContact O-N 3.09Å; I1364-K1366 PolarHBondContact O-N 2.85Å |
| 1367 | G | 73.4 | Confident | 79.8 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | trans | 70.6 | 161.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1364 E1365 F1374 | I1364-G1367 PolarHBondContact O-N 3.33Å; I1364-G1367 VanDerWaalsContact O-N 3.08Å; E1365-G1367 VanDerWaalsContact C-N 3.31Å; E1365-G1367 PolarHBondContact O-N 3.45Å; G1367-F1374 WeakPolarHBondContact O-CZ 3.32Å | ||
| 1368 | E | 77.5 | Confident | 79.7 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 12% | 0.121 | 28% | 0.278 | C | S | . | . | trans | -115.5 | 137 | -180 | -179.2 | 167.3 | -115.2 | 0 | 0 | 112 | F1372 H1373 F1374 Q1375 R1416 S1417 | E1368-F1372 WeakPolarHBondContact CG-O 3.39Å; E1368-H1373 WeakPolarHBondContact OE1-CA 3.49Å; E1368-F1374 HydrophobicContact CB-CD1 4.19Å; E1368-F1374 HydrophobicContact CB-CE1 3.5Å; E1368-F1374 HydrophobicContact CB-CZ 3.88Å; E1368-F1374 HydrophobicContact CG-CD1 3.74Å; E1368-F1374 HydrophobicContact CG-CE1 3.58Å; E1368-F1374 HydrophobicContact CG-CZ 4.33Å; E1368-F1374 VanDerWaalsContact OE1-CD1 3.3Å; E1368-F1374 WeakPolarHBondContact OE1-CD1 3.01Å; E1368-F1374 PolarHBondContact OE1-N 3.42Å; E1368-Q1375 HydrophobicContact CB-CG 4.19Å; E1368-Q1375 PolarHBondContact OE1-N 3.02Å; E1368-R1416 HydrophobicContact CB-CB 4.2Å; E1368-R1416 HydrophobicContact CB-CG 4.25Å; E1368-R1416 VanDerWaalsContact OE2-CB 3.24Å; E1368-R1416 WeakPolarHBondContact OE2-CB 3.28Å; E1368-S1417 PolarHBondContact OE1-OG 3.42Å; E1368-S1417 WeakPolarHBondContact OE2-CB 3.21Å; E1368-S1417 PolarHBondContact OE2-N 3.34Å; E1368-S1417 PolarHBondContact OE2-OG 3.27Å | ||
| 1369 | L | 70.1 | Confident | 79.7 | Confident | 103 Ų | 103 | 52.4 Ų | 52.4 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | trans | -82 | 146.6 | 177.5 | -67.1 | 163.5 | 0 | 0 | 0 | 109 | R1323 N1371 F1372 | R1323-L1369 VanDerWaalsContact NH2-CG 3.28Å; R1323-L1369 VanDerWaalsContact NH2-N 3.19Å; L1369-N1371 PolarHBondContact O-N 3.34Å; L1369-F1372 HydrophobicContact CB-CD2 4.43Å; L1369-F1372 PolarHBondContact O-N 3.46Å | ||
| 1370 | P | 57.1 | Low | 79.8 | Confident | 93 Ų | 93 | 56.6 Ų | 56.6 | 60% | 0.604 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 135.9 | 175.1 | -22.3 | 32.4 | 0 | 0 | 0 | 111.5 | F1372 | P1370-F1372 PolarHBondContact O-N 3.44Š|
| 1371 | N | 65.3 | Low | 80 | Confident | 105 Ų | 105 | 56.7 Ų | 56.7 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -9.2 | -179 | -47.7 | -29.4 | 0 | 0 | 0 | 117.7 | L1369 H1373 Q1509 | L1369-N1371 PolarHBondContact O-N 3.34Å; N1371-H1373 PolarHBondContact O-ND1 2.64Å; N1371-Q1509 PolarHBondContact OD1-NE2 3.36Å |
| 1372 | F | 68.2 | Low | 80.3 | Confident | 114 Ų | 114 | 55.4 Ų | 55.4 | 50% | 0.5 | 27% | 0.27 | S | S | . | . | trans | -99.7 | 133.6 | 171.2 | -70.8 | -96 | 0 | 0 | 0 | 109.1 | R1323 E1368 L1369 P1370 | R1323-F1372 VanDerWaalsContact NH1-CD2 3.35Å; E1368-F1372 WeakPolarHBondContact CG-O 3.39Å; L1369-F1372 HydrophobicContact CB-CD2 4.43Å; L1369-F1372 PolarHBondContact O-N 3.46Å; P1370-F1372 PolarHBondContact O-N 3.44Å | ||
| 1373 | H | 78.8 | Confident | 80.7 | Confident | 86 Ų | 86 | 52.4 Ų | 52.4 | 40% | 0.398 | 26% | 0.257 | S | S | . | . | trans | -112.4 | 40.6 | -174.6 | -52.6 | 82.3 | 0 | 0 | 0 | 111.6 | E1368 N1371 Q1375 K1376 E1377 S1417 | E1368-H1373 WeakPolarHBondContact OE1-CA 3.49Å; N1371-H1373 PolarHBondContact O-ND1 2.64Å; H1373-Q1375 VanDerWaalsContact C-N 3.35Å; H1373-Q1375 PolarHBondContact O-N 3.44Å; H1373-K1376 HydrophobicContact CB-CB 4.39Å; H1373-K1376 WeakPolarHBondContact O-CB 3.36Å; H1373-K1376 PolarHBondContact O-N 3.32Å; H1373-E1377 PolarHBondContact O-N 3.07Å; H1373-S1417 WeakPolarHBondContact CA-OG 3.42Å | ||
| 1374 | F | 80.7 | Confident | 81.1 | Confident | 37 Ų | 37 | 54 Ų | 54 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.7 | -34.2 | -175.9 | 80.5 | -105.9 | 0 | 0 | 0 | 112.2 | L1363 G1367 E1368 K1376 E1377 F1378 | L1363-F1374 HydrophobicContact CD1-CD2 4.48Å; L1363-F1374 HydrophobicContact CD1-CE2 4.09Å; L1363-F1374 HydrophobicContact CD2-CD2 3.71Å; L1363-F1374 HydrophobicContact CD2-CE2 3.5Å; L1363-F1374 VanDerWaalsContact CD2-CE2 3.5Å; L1363-F1374 HydrophobicContact CG-CD2 4.22Å; L1363-F1374 HydrophobicContact CG-CE2 3.6Å; L1363-F1374 HydrophobicContact CG-CZ 4.5Å; G1367-F1374 WeakPolarHBondContact O-CZ 3.32Å; E1368-F1374 HydrophobicContact CB-CD1 4.19Å; E1368-F1374 HydrophobicContact CB-CE1 3.5Å; E1368-F1374 HydrophobicContact CB-CZ 3.88Å; E1368-F1374 HydrophobicContact CG-CD1 3.74Å; E1368-F1374 HydrophobicContact CG-CE1 3.58Å; E1368-F1374 HydrophobicContact CG-CZ 4.33Å; E1368-F1374 VanDerWaalsContact OE1-CD1 3.3Å; E1368-F1374 WeakPolarHBondContact OE1-CD1 3.01Å; E1368-F1374 PolarHBondContact OE1-N 3.42Å; F1374-K1376 PolarHBondContact O-N 2.88Å; F1374-E1377 PolarHBondContact O-N 2.99Å; F1374-F1378 VanDerWaalsContact O-CB 3.26Å; F1374-F1378 WeakPolarHBondContact O-CB 3.24Å; F1374-F1378 PolarHBondContact O-N 3.44Å |
| 1375 | Q | 87.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -34.6 | -179.7 | -66.1 | -178.6 | -2.7 | 0 | 0 | 110.6 | E1368 H1373 F1378 L1379 N1414 S1417 | E1368-Q1375 HydrophobicContact CB-CG 4.19Å; E1368-Q1375 PolarHBondContact OE1-N 3.02Å; H1373-Q1375 VanDerWaalsContact C-N 3.35Å; H1373-Q1375 PolarHBondContact O-N 3.44Å; Q1375-F1378 PolarHBondContact O-N 3.08Å; Q1375-L1379 WeakPolarHBondContact O-CB 3.37Å; Q1375-L1379 WeakPolarHBondContact O-CG 3.48Å; Q1375-L1379 PolarHBondContact O-N 3.39Å; Q1375-N1414 PolarHBondContact NE2-O 3.34Å; Q1375-S1417 WeakPolarHBondContact CB-OG 3.31Å; Q1375-S1417 PolarHBondContact N-OG 2.78Å |
| 1376 | K | 86.3 | Confident | 81.6 | Confident | 57 Ų | 57 | 50 Ų | 50 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.7 | -61.4 | 170.5 | -171.2 | -176.2 | 175.9 | -172.8 | 0 | 110.2 | H1373 F1374 F1378 L1379 R1380 S1417 N1421 | H1373-K1376 HydrophobicContact CB-CB 4.39Å; H1373-K1376 WeakPolarHBondContact O-CB 3.36Å; H1373-K1376 PolarHBondContact O-N 3.32Å; F1374-K1376 PolarHBondContact O-N 2.88Å; K1376-F1378 PolarHBondContact O-N 3Å; K1376-F1378 VanDerWaalsContact O-N 3.16Å; K1376-L1379 PolarHBondContact O-N 2.98Å; K1376-R1380 PolarHBondContact O-N 3.48Å; K1376-R1380 VanDerWaalsContact O-N 3.11Å; K1376-S1417 PolarHBondContact N-OG 3.36Å; K1376-S1417 VanDerWaalsContact N-OG 3.09Å; K1376-N1421 PolarHBondContact O-ND2 2.96Å |
| 1377 | E | 82.8 | Confident | 81.9 | Confident | 108 Ų | 108 | 48.9 Ų | 48.9 | 51% | 0.505 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.5 | -33.5 | -179.3 | -62.9 | -51.6 | 128.5 | 0 | 0 | 113 | W1330 H1373 F1374 R1380 | W1330-E1377 PolarHBondContact NE1-O 2.86Å; H1373-E1377 PolarHBondContact O-N 3.07Å; F1374-E1377 PolarHBondContact O-N 2.99Å; E1377-R1380 WeakPolarHBondContact O-CB 3.42Å |
| 1378 | F | 86.3 | Confident | 81.6 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 179.6 | -165.4 | -90.7 | 0 | 0 | 0 | 114 | M1319 W1326 W1330 L1359 S1360 L1363 F1374 Q1375 K1376 R1380 P1381 | M1319-F1378 HydrophobicContact CE-CE2 4.26Å; M1319-F1378 HydrophobicContact CE-CZ 4.14Å; W1326-F1378 HydrophobicContact CZ2-CE2 4.18Å; W1330-F1378 AromaticContact CD2-CD2 3.69Å; W1330-F1378 HydrophobicContact CD2-CD2 3.69Å; W1330-F1378 AromaticContact CD2-CE2 3.79Å; W1330-F1378 HydrophobicContact CD2-CE2 3.79Å; W1330-F1378 AromaticContact CE2-CD2 3.4Å; W1330-F1378 VanDerWaalsContact CE2-CD2 3.4Å; W1330-F1378 AromaticContact CE2-CE2 3.71Å; W1330-F1378 AromaticContact CE3-CD2 3.95Å; W1330-F1378 HydrophobicContact CE3-CD2 3.95Å; W1330-F1378 AromaticContact CE3-CE2 3.54Å; W1330-F1378 HydrophobicContact CE3-CE2 3.54Å; W1330-F1378 HydrophobicContact CE3-CZ 4.45Å; W1330-F1378 HydrophobicContact CG-CD2 4.39Å; W1330-F1378 AromaticContact CH2-CD2 3.7Å; W1330-F1378 HydrophobicContact CH2-CD2 3.7Å; W1330-F1378 HydrophobicContact CH2-CE1 4.04Å; W1330-F1378 AromaticContact CH2-CE2 3.12Å; W1330-F1378 HydrophobicContact CH2-CE2 3.12Å; W1330-F1378 HydrophobicContact CH2-CG 4.4Å; W1330-F1378 AromaticContact CH2-CZ 3.3Å; W1330-F1378 HydrophobicContact CH2-CZ 3.3Å; W1330-F1378 HydrophobicContact CZ2-CD1 4.25Å; W1330-F1378 AromaticContact CZ2-CD2 3.41Å; W1330-F1378 HydrophobicContact CZ2-CD2 3.41Å; W1330-F1378 VanDerWaalsContact CZ2-CD2 3.41Å; W1330-F1378 HydrophobicContact CZ2-CE1 4.18Å; W1330-F1378 AromaticContact CZ2-CE2 3.39Å; W1330-F1378 HydrophobicContact CZ2-CE2 3.39Å; W1330-F1378 AromaticContact CZ2-CG 3.87Å; W1330-F1378 HydrophobicContact CZ2-CG 3.87Å; W1330-F1378 AromaticContact CZ2-CZ 3.76Å; W1330-F1378 HydrophobicContact CZ2-CZ 3.76Å; W1330-F1378 WeakPolarHBondContact CZ2-O 3.18Å; W1330-F1378 AromaticContact CZ3-CD2 3.97Å; W1330-F1378 HydrophobicContact CZ3-CD2 3.97Å; W1330-F1378 AromaticContact CZ3-CE2 3.21Å; W1330-F1378 HydrophobicContact CZ3-CE2 3.21Å; W1330-F1378 AromaticContact CZ3-CZ 3.71Å; W1330-F1378 HydrophobicContact CZ3-CZ 3.71Å; W1330-F1378 AromaticContact NE1-CD2 3.97Å; L1359-F1378 HydrophobicContact CB-CE1 4.27Å; L1359-F1378 HydrophobicContact CB-CZ 3.7Å; S1360-F1378 WeakPolarHBondContact OG-CE1 3.15Å; L1363-F1378 HydrophobicContact CB-CE1 4.45Å; L1363-F1378 HydrophobicContact CD2-CB 3.6Å; L1363-F1378 HydrophobicContact CD2-CD1 3.5Å; L1363-F1378 HydrophobicContact CD2-CD2 3.34Å; L1363-F1378 HydrophobicContact CD2-CE1 3.99Å; L1363-F1378 HydrophobicContact CD2-CE2 3.8Å; L1363-F1378 HydrophobicContact CD2-CG 3.15Å; L1363-F1378 HydrophobicContact CD2-CZ 4.12Å; F1374-F1378 VanDerWaalsContact O-CB 3.26Å; F1374-F1378 WeakPolarHBondContact O-CB 3.24Å; F1374-F1378 PolarHBondContact O-N 3.44Å; Q1375-F1378 PolarHBondContact O-N 3.08Å; K1376-F1378 PolarHBondContact O-N 3Å; K1376-F1378 VanDerWaalsContact O-N 3.16Å; F1378-R1380 VanDerWaalsContact C-N 3.31Å; F1378-P1381 WeakPolarHBondContact O-CD 3.27Å |
| 1379 | L | 91 | Very high | 80.4 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -84 | -7.9 | 179 | -64.2 | 179.3 | 0 | 0 | 0 | 112.9 | S1360 I1364 Q1375 K1376 P1381 F1382 L1407 N1421 I1422 | S1360-L1379 WeakPolarHBondContact OG-CD2 3.26Å; I1364-L1379 HydrophobicContact CD1-CD1 4.42Å; Q1375-L1379 WeakPolarHBondContact O-CB 3.37Å; Q1375-L1379 WeakPolarHBondContact O-CG 3.48Å; Q1375-L1379 PolarHBondContact O-N 3.39Å; K1376-L1379 PolarHBondContact O-N 2.98Å; L1379-P1381 VanDerWaalsContact C-N 3.34Å; L1379-F1382 HydrophobicContact CB-CD2 4.45Å; L1379-F1382 HydrophobicContact CD2-CD2 3.99Å; L1379-F1382 HydrophobicContact CD2-CE2 3.81Å; L1379-F1382 PolarHBondContact O-N 3.19Å; L1379-F1382 VanDerWaalsContact O-N 3.15Å; L1379-L1407 HydrophobicContact CD1-CD2 4.25Å; L1379-L1407 HydrophobicContact CD2-CD2 4.12Å; L1379-N1421 HydrophobicContact CB-CB 4.05Å; L1379-I1422 HydrophobicContact CD1-CD1 4.16Å; L1379-I1422 HydrophobicContact CD1-CG1 4.01Å |
| 1380 | R | 90.6 | Very high | 79.6 | Confident | 92 Ų | 92 | 56.9 Ų | 56.9 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.8 | -36.6 | 179.3 | -170.5 | 56.8 | 138.6 | 146.4 | -3.7 | 114.4 | K1376 E1377 F1378 F1382 V1383 N1384 E1387 N1421 | K1376-R1380 PolarHBondContact O-N 3.48Å; K1376-R1380 VanDerWaalsContact O-N 3.11Å; E1377-R1380 WeakPolarHBondContact O-CB 3.42Å; F1378-R1380 VanDerWaalsContact C-N 3.31Å; R1380-F1382 VanDerWaalsContact C-N 3.27Å; R1380-F1382 PolarHBondContact O-N 2.92Å; R1380-V1383 WeakPolarHBondContact O-CB 3.34Å; R1380-V1383 PolarHBondContact O-N 3.43Å; R1380-V1383 VanDerWaalsContact O-N 3.1Å; R1380-N1384 PolarHBondContact O-N 3.43Å; R1380-N1384 PolarHBondContact O-OD1 2.95Å; R1380-E1387 IonicContact NH1-OE2 3.88Å; R1380-N1421 VanDerWaalsContact CA-ND2 3.35Å; R1380-N1421 WeakPolarHBondContact CA-ND2 3.45Å; R1380-N1421 PolarHBondContact N-ND2 3.48Å |
| 1381 | P | 92.2 | Very high | 80 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.4 | -35.4 | 175.7 | -28.1 | 38.1 | 0 | 0 | 0 | 114 | W1330 L1356 F1378 L1379 V1383 N1384 I1385 | W1330-P1381 HydrophobicContact CZ2-CG 4.17Å; L1356-P1381 HydrophobicContact CD1-CB 3.93Å; L1356-P1381 HydrophobicContact CD2-CB 4.22Å; L1356-P1381 HydrophobicContact CD2-CG 4.45Å; F1378-P1381 WeakPolarHBondContact O-CD 3.27Å; L1379-P1381 VanDerWaalsContact C-N 3.34Å; P1381-V1383 VanDerWaalsContact C-N 3.33Å; P1381-V1383 PolarHBondContact O-N 3.42Å; P1381-N1384 PolarHBondContact O-N 2.97Å; P1381-I1385 WeakPolarHBondContact O-CB 3.46Å; P1381-I1385 WeakPolarHBondContact O-CD1 3.49Å; P1381-I1385 WeakPolarHBondContact O-CG1 3.5Å; P1381-I1385 PolarHBondContact O-N 3.15Å |
| 1382 | F | 93.2 | Very high | 80.8 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.7 | -69.5 | -64.8 | 0 | 0 | 0 | 112.3 | V1353 L1356 S1360 L1379 R1380 I1400 C1403 V1425 | V1353-F1382 HydrophobicContact CG1-CE1 4.41Å; L1356-F1382 HydrophobicContact CB-CE1 3.82Å; L1356-F1382 HydrophobicContact CB-CE2 4.3Å; L1356-F1382 HydrophobicContact CB-CZ 3.58Å; L1356-F1382 HydrophobicContact CD1-CD1 4.49Å; L1356-F1382 HydrophobicContact CD1-CE1 4.33Å; S1360-F1382 WeakPolarHBondContact OG-CE2 3.48Å; L1379-F1382 HydrophobicContact CB-CD2 4.45Å; L1379-F1382 HydrophobicContact CD2-CD2 3.99Å; L1379-F1382 HydrophobicContact CD2-CE2 3.81Å; L1379-F1382 PolarHBondContact O-N 3.19Å; L1379-F1382 VanDerWaalsContact O-N 3.15Å; R1380-F1382 VanDerWaalsContact C-N 3.27Å; R1380-F1382 PolarHBondContact O-N 2.92Å; F1382-I1400 HydrophobicContact CB-CG2 4.11Å; F1382-I1400 HydrophobicContact CD1-CB 4.42Å; F1382-I1400 HydrophobicContact CD1-CG1 4.09Å; F1382-I1400 HydrophobicContact CD1-CG2 3.83Å; F1382-I1400 HydrophobicContact CG-CG2 4.32Å; F1382-C1403 WeakPolarHBondContact CZ-SG 3.43Å; F1382-V1425 HydrophobicContact CB-CG2 3.88Å |
| 1383 | V | 91.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -51.1 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | R1380 P1381 I1385 L1386 E1387 N1421 A1424 V1425 L1428 | R1380-V1383 WeakPolarHBondContact O-CB 3.34Å; R1380-V1383 PolarHBondContact O-N 3.43Å; R1380-V1383 VanDerWaalsContact O-N 3.1Å; P1381-V1383 VanDerWaalsContact C-N 3.33Å; P1381-V1383 PolarHBondContact O-N 3.42Å; V1383-I1385 VanDerWaalsContact C-N 3.33Å; V1383-I1385 PolarHBondContact O-N 2.83Å; V1383-L1386 PolarHBondContact O-N 3.44Å; V1383-E1387 VanDerWaalsContact CG1-CD 3.49Å; V1383-E1387 HydrophobicContact CG1-CG 3.91Å; V1383-E1387 VanDerWaalsContact CG1-OE1 3.24Å; V1383-E1387 WeakPolarHBondContact CG1-OE1 3.35Å; V1383-E1387 PolarHBondContact O-N 3.27Å; V1383-N1421 HydrophobicContact CG2-CB 3.87Å; V1383-N1421 WeakPolarHBondContact CG2-O 3.49Å; V1383-A1424 HydrophobicContact CG1-CB 4.19Å; V1383-A1424 HydrophobicContact CG2-CB 3.86Å; V1383-V1425 HydrophobicContact CG2-CG2 3.74Å; V1383-L1428 HydrophobicContact CG1-CD1 4.08Å |
| 1384 | N | 89.9 | Confident | 81.9 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 23% | 0.225 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | -177.3 | -66.8 | -5 | 0 | 0 | 0 | 111.1 | T1338 R1342 R1380 P1381 L1386 E1387 | T1338-N1384 HydrophobicContact CG2-CB 3.48Å; T1338-N1384 VanDerWaalsContact CG2-CB 3.48Å; R1342-N1384 PolarHBondContact NE-O 3.49Å; R1342-N1384 VanDerWaalsContact NH2-C 3.34Å; R1342-N1384 PolarHBondContact NH2-O 3.28Å; R1380-N1384 PolarHBondContact O-N 3.43Å; R1380-N1384 PolarHBondContact O-OD1 2.95Å; P1381-N1384 PolarHBondContact O-N 2.97Å; N1384-L1386 PolarHBondContact O-N 2.8Å; N1384-E1387 PolarHBondContact O-N 2.9Å |
| 1385 | I | 90.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54 | -39.1 | 178.2 | -69.5 | 163 | 0 | 0 | 0 | 110.8 | L1356 P1381 V1383 V1392 V1396 I1400 | L1356-I1385 HydrophobicContact CD1-CD1 4.02Å; P1381-I1385 WeakPolarHBondContact O-CB 3.46Å; P1381-I1385 WeakPolarHBondContact O-CD1 3.49Å; P1381-I1385 WeakPolarHBondContact O-CG1 3.5Å; P1381-I1385 PolarHBondContact O-N 3.15Å; V1383-I1385 VanDerWaalsContact C-N 3.33Å; V1383-I1385 PolarHBondContact O-N 2.83Å; I1385-V1392 WeakPolarHBondContact O-CG2 3.41Å; I1385-V1396 HydrophobicContact CG2-CG1 4.43Å; I1385-I1400 HydrophobicContact CB-CD1 4.23Å; I1385-I1400 HydrophobicContact CG2-CD1 3.82Å |
| 1386 | L | 87.5 | Confident | 82.2 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -80.7 | -31.3 | 179.9 | -66.5 | 174.2 | 0 | 0 | 0 | 115.5 | V1383 N1384 Q1397 I1400 V1425 L1428 I1429 | V1383-L1386 PolarHBondContact O-N 3.44Å; N1384-L1386 PolarHBondContact O-N 2.8Å; L1386-Q1397 HydrophobicContact CD2-CB 4.49Å; L1386-Q1397 HydrophobicContact CD2-CG 3.84Å; L1386-I1400 HydrophobicContact CD1-CG2 4.06Å; L1386-I1400 HydrophobicContact CD2-CD1 4.06Å; L1386-I1400 HydrophobicContact CG-CD1 4.05Å; L1386-V1425 HydrophobicContact CD1-CB 4.46Å; L1386-V1425 HydrophobicContact CD1-CG1 3.82Å; L1386-V1425 HydrophobicContact CD1-CG2 4.42Å; L1386-L1428 HydrophobicContact CB-CD1 3.87Å; L1386-I1429 HydrophobicContact CD1-CD1 4.07Å; L1386-I1429 HydrophobicContact CD1-CG1 4.08Å; L1386-I1429 HydrophobicContact CD2-CD1 4.13Å |
| 1387 | E | 80.7 | Confident | 82.4 | Confident | 97 Ų | 97 | 55.2 Ų | 55.2 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -74.1 | -23.4 | -170.9 | -79.7 | -176.6 | 167.1 | 0 | 0 | 115.4 | R1380 V1383 N1384 L1428 | R1380-E1387 IonicContact NH1-OE2 3.88Å; V1383-E1387 VanDerWaalsContact CG1-CD 3.49Å; V1383-E1387 HydrophobicContact CG1-CG 3.91Å; V1383-E1387 VanDerWaalsContact CG1-OE1 3.24Å; V1383-E1387 WeakPolarHBondContact CG1-OE1 3.35Å; V1383-E1387 PolarHBondContact O-N 3.27Å; N1384-E1387 PolarHBondContact O-N 2.9Å; E1387-L1428 HydrophobicContact CG-CD1 3.5Å; E1387-L1428 VanDerWaalsContact CG-CD1 3.5Å; E1387-L1428 HydrophobicContact CG-CD2 3.97Å; E1387-L1428 HydrophobicContact CG-CG 4.37Å |
| 1388 | T | 66.1 | Low | 82.8 | Confident | 63 Ų | 63 | 52 Ų | 52 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -105.2 | 131.8 | -165.3 | -54.1 | 0 | 0 | 0 | 0 | 113 | R1342 | R1342-T1388 VanDerWaalsContact CZ-OG1 3.3Å; R1342-T1388 VanDerWaalsContact NH2-CB 3.3Å; R1342-T1388 PolarHBondContact NH2-OG1 2.65Å |
| 1389 | E | 52.7 | Low | 83 | Confident | 144 Ų | 144 | 53.7 Ų | 53.7 | 67% | 0.673 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -65.7 | 144.3 | 172.7 | -74.5 | -92.1 | 163.8 | 0 | 0 | 112.3 | ||
| 1390 | P | 53.8 | Low | 83.1 | Confident | 114 Ų | 114 | 53.5 Ų | 53.5 | 74% | 0.74 | 27% | 0.274 | S | S | * | . | S | Bend | cis | -90.5 | 160.2 | 5.4 | 33.8 | -32.5 | 0 | 0 | 0 | 114.7 | V1392 | P1390-V1392 PolarHBondContact O-N 3.25Š|
| 1391 | N | 65 | Low | 83.2 | Confident | 146 Ų | 146 | 49.1 Ų | 49.1 | 78% | 0.781 | 26% | 0.257 | S | S | * | . | trans | -38.3 | 116.1 | -172.5 | -71.8 | -26.6 | 0 | 0 | 0 | 116 | ||||
| 1392 | V | 81.3 | Confident | 83.3 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 16% | 0.158 | 28% | 0.28 | C | S | . | . | trans | -61.1 | 139.7 | 170.1 | -179.2 | 0 | 0 | 0 | 0 | 111 | I1385 P1390 V1396 Q1397 | I1385-V1392 WeakPolarHBondContact O-CG2 3.41Å; P1390-V1392 PolarHBondContact O-N 3.25Å; V1392-V1396 HydrophobicContact CG1-CB 3.75Å; V1392-V1396 HydrophobicContact CG1-CG1 3.75Å; V1392-Q1397 HydrophobicContact CB-CG 4.44Å; V1392-Q1397 HydrophobicContact CG1-CG 4.24Å; V1392-Q1397 PolarHBondContact O-NE2 2.95Å | ||
| 1393 | S | 84.7 | Confident | 83.1 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | trans | -55.9 | 138.6 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | E1346 K1395 V1396 Q1397 | E1346-S1393 WeakPolarHBondContact OE1-CB 3.44Å; E1346-S1393 PolarHBondContact OE1-OG 3.46Å; S1393-K1395 PolarHBondContact O-N 2.81Å; S1393-K1395 VanDerWaalsContact O-N 3.12Å; S1393-V1396 PolarHBondContact O-N 2.81Å; S1393-V1396 VanDerWaalsContact O-N 3.07Å; S1393-Q1397 PolarHBondContact O-N 3.05Å; S1393-Q1397 VanDerWaalsContact O-N 3.09Å | ||
| 1394 | H | 85.6 | Confident | 83.2 | Confident | 111 Ų | 111 | 55.4 Ų | 55.4 | 51% | 0.514 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.7 | -27.6 | 178.7 | -73.3 | -59.1 | 0 | 0 | 0 | 113.3 | Q1397 D1398 | H1394-Q1397 PolarHBondContact ND1-OE1 3.34Å; H1394-Q1397 VanDerWaalsContact ND1-OE1 3.14Å; H1394-Q1397 PolarHBondContact O-N 3.39Å; H1394-D1398 PolarHBondContact O-N 3.3Å |
| 1395 | K | 86.3 | Confident | 83.4 | Confident | 99 Ų | 99 | 56.9 Ų | 56.9 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 177.1 | -170.2 | -179.5 | 171.3 | -156.4 | 0 | 111.5 | E1350 S1393 D1398 M1399 | E1350-K1395 VanDerWaalsContact OE2-CE 3.27Å; E1350-K1395 WeakPolarHBondContact OE2-CE 3.34Å; E1350-K1395 IonicContact OE2-NZ 2.7Å; E1350-K1395 PolarHBondContact OE2-NZ 3.45Å; S1393-K1395 PolarHBondContact O-N 2.81Å; S1393-K1395 VanDerWaalsContact O-N 3.12Å; K1395-D1398 PolarHBondContact O-N 2.97Å; K1395-M1399 WeakPolarHBondContact O-CG 3.39Å; K1395-M1399 PolarHBondContact O-N 2.98Å; K1395-M1399 VanDerWaalsContact O-N 3.08Å |
| 1396 | V | 88.6 | Confident | 83.5 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67 | -39.9 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | A1349 V1353 I1385 V1392 S1393 M1399 I1400 | A1349-V1396 HydrophobicContact CB-CG2 3.9Å; V1353-V1396 HydrophobicContact CG2-CG1 3.91Å; I1385-V1396 HydrophobicContact CG2-CG1 4.43Å; V1392-V1396 HydrophobicContact CG1-CB 3.75Å; V1392-V1396 HydrophobicContact CG1-CG1 3.75Å; S1393-V1396 PolarHBondContact O-N 2.81Å; S1393-V1396 VanDerWaalsContact O-N 3.07Å; V1396-M1399 PolarHBondContact O-N 2.77Å; V1396-I1400 HydrophobicContact CG1-CD1 4.16Å; V1396-I1400 WeakPolarHBondContact O-CG1 3.36Å; V1396-I1400 PolarHBondContact O-N 3.09Å |
| 1397 | Q | 89.7 | Confident | 83.6 | Confident | 32 Ų | 32 | 60 Ų | 60 | 15% | 0.15 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 173 | -66.1 | 179.2 | -10.4 | 0 | 0 | 112 | L1386 V1392 S1393 H1394 M1399 I1400 V1401 I1429 I1437 | L1386-Q1397 HydrophobicContact CD2-CB 4.49Å; L1386-Q1397 HydrophobicContact CD2-CG 3.84Å; V1392-Q1397 HydrophobicContact CB-CG 4.44Å; V1392-Q1397 HydrophobicContact CG1-CG 4.24Å; V1392-Q1397 PolarHBondContact O-NE2 2.95Å; S1393-Q1397 PolarHBondContact O-N 3.05Å; S1393-Q1397 VanDerWaalsContact O-N 3.09Å; H1394-Q1397 PolarHBondContact ND1-OE1 3.34Å; H1394-Q1397 VanDerWaalsContact ND1-OE1 3.14Å; H1394-Q1397 PolarHBondContact O-N 3.39Å; Q1397-M1399 VanDerWaalsContact C-N 3.34Å; Q1397-M1399 PolarHBondContact O-N 3.46Å; Q1397-I1400 PolarHBondContact O-N 3.49Å; Q1397-V1401 WeakPolarHBondContact O-CG2 3.3Å; Q1397-V1401 PolarHBondContact O-N 2.94Å; Q1397-I1429 HydrophobicContact CB-CD1 4.21Å; Q1397-I1429 HydrophobicContact CG-CD1 4.43Å; Q1397-I1437 HydrophobicContact CB-CD1 4.14Å |
| 1398 | D | 92 | Very high | 84.2 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 22% | 0.219 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 176.6 | -178.7 | 75.7 | 0 | 0 | 0 | 111.4 | H1394 K1395 I1400 V1401 R1402 I1437 | H1394-D1398 PolarHBondContact O-N 3.3Å; K1395-D1398 PolarHBondContact O-N 2.97Å; D1398-I1400 PolarHBondContact O-N 3.3Å; D1398-V1401 PolarHBondContact O-N 3.15Å; D1398-R1402 VanDerWaalsContact O-CB 3.23Å; D1398-R1402 WeakPolarHBondContact O-CB 3.47Å; D1398-R1402 PolarHBondContact O-N 3.37Å; D1398-R1402 IonicContact OD1-NH1 3.5Å; D1398-R1402 IonicContact OD2-NH1 2.73Å; D1398-R1402 PolarHBondContact OD2-NH1 3.3Å; D1398-I1437 HydrophobicContact CB-CD1 4.02Å; D1398-I1437 HydrophobicContact CB-CG1 4.12Å |
| 1399 | M | 90.1 | Very high | 85.4 | Confident | 38 Ų | 38 | 54.8 Ų | 54.8 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 178.9 | -73.9 | -173.2 | 68.5 | 0 | 0 | 113.1 | E1350 V1353 D1354 K1395 V1396 Q1397 R1402 C1403 | E1350-M1399 HydrophobicContact CB-SD 3.93Å; E1350-M1399 HydrophobicContact CG-CE 3.85Å; E1350-M1399 HydrophobicContact CG-SD 3.57Å; E1350-M1399 VanDerWaalsContact CG-SD 3.57Å; E1350-M1399 WeakPolarHBondContact O-CE 3.23Å; V1353-M1399 HydrophobicContact CB-CE 4.44Å; V1353-M1399 HydrophobicContact CG1-CB 3.73Å; V1353-M1399 HydrophobicContact CG1-CE 4.32Å; D1354-M1399 HydrophobicContact CB-CE 4.09Å; K1395-M1399 WeakPolarHBondContact O-CG 3.39Å; K1395-M1399 PolarHBondContact O-N 2.98Å; K1395-M1399 VanDerWaalsContact O-N 3.08Å; V1396-M1399 PolarHBondContact O-N 2.77Å; Q1397-M1399 VanDerWaalsContact C-N 3.34Å; Q1397-M1399 PolarHBondContact O-N 3.46Å; M1399-R1402 PolarHBondContact O-N 3.45Å; M1399-C1403 VanDerWaalsContact O-CB 3.3Å; M1399-C1403 WeakPolarHBondContact O-CB 3.44Å; M1399-C1403 PolarHBondContact O-N 3.44Å |
| 1400 | I | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 178 | -67.6 | 173.8 | 0 | 0 | 0 | 110.1 | V1353 F1382 I1385 L1386 V1396 Q1397 D1398 C1403 V1404 V1425 | V1353-I1400 HydrophobicContact CB-CG1 4.46Å; V1353-I1400 HydrophobicContact CG1-CG1 3.69Å; V1353-I1400 HydrophobicContact CG2-CD1 4.16Å; V1353-I1400 HydrophobicContact CG2-CG1 3.82Å; F1382-I1400 HydrophobicContact CB-CG2 4.11Å; F1382-I1400 HydrophobicContact CD1-CB 4.42Å; F1382-I1400 HydrophobicContact CD1-CG1 4.09Å; F1382-I1400 HydrophobicContact CD1-CG2 3.83Å; F1382-I1400 HydrophobicContact CG-CG2 4.32Å; I1385-I1400 HydrophobicContact CB-CD1 4.23Å; I1385-I1400 HydrophobicContact CG2-CD1 3.82Å; L1386-I1400 HydrophobicContact CD1-CG2 4.06Å; L1386-I1400 HydrophobicContact CD2-CD1 4.06Å; L1386-I1400 HydrophobicContact CG-CD1 4.05Å; V1396-I1400 HydrophobicContact CG1-CD1 4.16Å; V1396-I1400 WeakPolarHBondContact O-CG1 3.36Å; V1396-I1400 PolarHBondContact O-N 3.09Å; Q1397-I1400 PolarHBondContact O-N 3.49Å; D1398-I1400 PolarHBondContact O-N 3.3Å; I1400-C1403 WeakPolarHBondContact O-CB 3.41Å; I1400-C1403 PolarHBondContact O-N 2.73Å; I1400-V1404 WeakPolarHBondContact O-CG2 3.3Å; I1400-V1404 PolarHBondContact O-N 3.47Å; I1400-V1425 HydrophobicContact CG2-CG1 3.9Å |
| 1401 | V | 93.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | 179.9 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | Q1397 D1398 C1403 V1404 Y1405 I1429 I1437 M1440 A1441 | Q1397-V1401 WeakPolarHBondContact O-CG2 3.3Å; Q1397-V1401 PolarHBondContact O-N 2.94Å; D1398-V1401 PolarHBondContact O-N 3.15Å; V1401-C1403 VanDerWaalsContact C-N 3.3Å; V1401-C1403 PolarHBondContact O-N 3.31Å; V1401-V1404 PolarHBondContact O-N 3.27Å; V1401-Y1405 VanDerWaalsContact O-CB 3.3Å; V1401-Y1405 WeakPolarHBondContact O-CB 3.36Å; V1401-Y1405 PolarHBondContact O-N 2.92Å; V1401-I1429 HydrophobicContact CG2-CB 4.24Å; V1401-I1429 HydrophobicContact CG2-CD1 3.82Å; V1401-I1429 HydrophobicContact CG2-CG1 3.58Å; V1401-I1429 HydrophobicContact CG2-CG2 3.91Å; V1401-I1437 HydrophobicContact CB-CG2 4.14Å; V1401-I1437 HydrophobicContact CG1-CG2 4.31Å; V1401-I1437 HydrophobicContact CG2-CG2 3.71Å; V1401-M1440 HydrophobicContact CG1-CB 4.01Å; V1401-M1440 HydrophobicContact CG1-CG 4Å; V1401-A1441 HydrophobicContact CG1-CB 3.99Å |
| 1402 | R | 93.7 | Very high | 89.8 | Confident | 130 Ų | 130 | 42.6 Ų | 42.6 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 176 | -162.8 | 179.3 | -135.2 | 98 | 6.5 | 111.8 | D1398 M1399 Q1406 | D1398-R1402 VanDerWaalsContact O-CB 3.23Å; D1398-R1402 WeakPolarHBondContact O-CB 3.47Å; D1398-R1402 PolarHBondContact O-N 3.37Å; D1398-R1402 IonicContact OD1-NH1 3.5Å; D1398-R1402 IonicContact OD2-NH1 2.73Å; D1398-R1402 PolarHBondContact OD2-NH1 3.3Å; M1399-R1402 PolarHBondContact O-N 3.45Å; R1402-Q1406 WeakPolarHBondContact O-CB 3.13Å; R1402-Q1406 PolarHBondContact O-N 2.79Å |
| 1403 | C | 90.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -51.3 | 172.2 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | R1357 F1382 M1399 I1400 V1401 Y1405 Q1406 L1407 | R1357-C1403 HydrophobicContact CB-CB 4.07Å; R1357-C1403 WeakPolarHBondContact CB-SG 3.46Å; R1357-C1403 HydrophobicContact CG-CB 3.94Å; R1357-C1403 WeakPolarHBondContact CG-SG 3.14Å; F1382-C1403 WeakPolarHBondContact CZ-SG 3.43Å; M1399-C1403 VanDerWaalsContact O-CB 3.3Å; M1399-C1403 WeakPolarHBondContact O-CB 3.44Å; M1399-C1403 PolarHBondContact O-N 3.44Å; I1400-C1403 WeakPolarHBondContact O-CB 3.41Å; I1400-C1403 PolarHBondContact O-N 2.73Å; V1401-C1403 VanDerWaalsContact C-N 3.3Å; V1401-C1403 PolarHBondContact O-N 3.31Å; C1403-Y1405 PolarHBondContact O-N 3.3Å; C1403-Q1406 PolarHBondContact O-N 3.11Å; C1403-L1407 VanDerWaalsContact O-CB 3.27Å; C1403-L1407 WeakPolarHBondContact O-CB 3.48Å; C1403-L1407 PolarHBondContact O-N 3.34Å |
| 1404 | V | 92.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.2 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | I1400 V1401 Q1406 L1407 V1408 I1422 V1425 L1426 | I1400-V1404 WeakPolarHBondContact O-CG2 3.3Å; I1400-V1404 PolarHBondContact O-N 3.47Å; V1401-V1404 PolarHBondContact O-N 3.27Å; V1404-Q1406 PolarHBondContact O-N 3.42Å; V1404-L1407 PolarHBondContact O-N 3.15Å; V1404-V1408 HydrophobicContact CG1-CG2 4.4Å; V1404-V1408 WeakPolarHBondContact O-CG2 3.31Å; V1404-V1408 PolarHBondContact O-N 3.1Å; V1404-I1422 HydrophobicContact CG1-CB 4.43Å; V1404-I1422 HydrophobicContact CG1-CG1 4.37Å; V1404-I1422 HydrophobicContact CG1-CG2 3.74Å; V1404-V1425 HydrophobicContact CG2-CB 4.41Å; V1404-V1425 HydrophobicContact CG2-CG1 4.03Å; V1404-L1426 HydrophobicContact CG1-CD2 4.24Å |
| 1405 | Y | 94.2 | Very high | 90.3 | Very high | 73 Ų | 73 | 38.6 Ų | 38.6 | 29% | 0.286 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -55.6 | -53 | 174.8 | 176.9 | -85.8 | 0 | 0 | 0 | 110.8 | V1401 C1403 L1407 V1408 H1409 M1440 E1443 T1444 | V1401-Y1405 VanDerWaalsContact O-CB 3.3Å; V1401-Y1405 WeakPolarHBondContact O-CB 3.36Å; V1401-Y1405 PolarHBondContact O-N 2.92Å; C1403-Y1405 PolarHBondContact O-N 3.3Å; Y1405-L1407 VanDerWaalsContact C-N 3.32Å; Y1405-L1407 PolarHBondContact O-N 3.22Å; Y1405-V1408 PolarHBondContact O-N 2.63Å; Y1405-H1409 AromaticContact CD1-ND1 3.95Å; Y1405-H1409 AromaticContact CD2-CE1 3.43Å; Y1405-H1409 VanDerWaalsContact CD2-CE1 3.43Å; Y1405-H1409 WeakPolarHBondContact CD2-CE1 3.19Å; Y1405-H1409 AromaticContact CD2-ND1 3.72Å; Y1405-H1409 AromaticContact CE1-ND1 3.9Å; Y1405-H1409 AromaticContact CE2-CE1 3.14Å; Y1405-H1409 WeakPolarHBondContact CE2-CE1 3.37Å; Y1405-H1409 AromaticContact CE2-ND1 3.68Å; Y1405-H1409 AromaticContact CE2-NE2 3.73Å; Y1405-H1409 AromaticContact CG-ND1 3.84Å; Y1405-H1409 AromaticContact CZ-CE1 3.52Å; Y1405-H1409 AromaticContact CZ-ND1 3.76Å; Y1405-H1409 AromaticContact CZ-NE2 3.84Å; Y1405-H1409 PolarHBondContact O-N 3.41Å; Y1405-H1409 PolarHBondContact O-ND1 3.49Å; Y1405-M1440 HydrophobicContact CD1-SD 4.06Å; Y1405-M1440 HydrophobicContact CD2-CG 3.73Å; Y1405-M1440 HydrophobicContact CD2-SD 3.74Å; Y1405-M1440 HydrophobicContact CE1-SD 4.33Å; Y1405-M1440 HydrophobicContact CE2-CG 4.47Å; Y1405-M1440 HydrophobicContact CE2-SD 4.02Å; Y1405-M1440 HydrophobicContact CG-CG 3.89Å; Y1405-M1440 HydrophobicContact CG-SD 3.78Å; Y1405-E1443 HydrophobicContact CE2-CB 4.34Å; Y1405-E1443 HydrophobicContact CE2-CG 4.14Å; Y1405-T1444 VanDerWaalsContact CD2-OG1 3.31Å; Y1405-T1444 WeakPolarHBondContact CD2-OG1 3.39Å |
| 1406 | Q | 91.3 | Very high | 90.4 | Very high | 90 Ų | 90 | 38.2 Ų | 38.2 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 179.1 | -175.9 | 179.8 | 14.9 | 0 | 0 | 111.5 | R1402 C1403 V1404 H1409 S1410 | R1402-Q1406 WeakPolarHBondContact O-CB 3.13Å; R1402-Q1406 PolarHBondContact O-N 2.79Å; C1403-Q1406 PolarHBondContact O-N 3.11Å; V1404-Q1406 PolarHBondContact O-N 3.42Å; Q1406-H1409 PolarHBondContact O-N 2.85Å; Q1406-S1410 VanDerWaalsContact O-CB 3.3Å; Q1406-S1410 WeakPolarHBondContact O-CB 3.49Å; Q1406-S1410 PolarHBondContact O-N 3.01Å; Q1406-S1410 PolarHBondContact O-OG 3.23Å |
| 1407 | L | 90.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | -177.7 | -175.2 | 70.4 | 0 | 0 | 0 | 111.9 | V1361 I1364 L1379 C1403 V1404 Y1405 S1410 Q1411 I1415 I1422 | V1361-L1407 HydrophobicContact CG2-CD1 4.14Å; I1364-L1407 HydrophobicContact CD1-CD1 3.43Å; I1364-L1407 VanDerWaalsContact CD1-CD1 3.43Å; I1364-L1407 HydrophobicContact CD1-CD2 3.5Å; I1364-L1407 VanDerWaalsContact CD1-CD2 3.5Å; I1364-L1407 HydrophobicContact CD1-CG 3.77Å; L1379-L1407 HydrophobicContact CD1-CD2 4.25Å; L1379-L1407 HydrophobicContact CD2-CD2 4.12Å; C1403-L1407 VanDerWaalsContact O-CB 3.27Å; C1403-L1407 WeakPolarHBondContact O-CB 3.48Å; C1403-L1407 PolarHBondContact O-N 3.34Å; V1404-L1407 PolarHBondContact O-N 3.15Å; Y1405-L1407 VanDerWaalsContact C-N 3.32Å; Y1405-L1407 PolarHBondContact O-N 3.22Å; L1407-S1410 PolarHBondContact O-OG 3.31Å; L1407-Q1411 WeakPolarHBondContact O-CB 3.35Å; L1407-Q1411 PolarHBondContact O-N 3.18Å; L1407-I1415 HydrophobicContact CG-CD1 4.32Å; L1407-I1422 HydrophobicContact CD2-CD1 4.39Å |
| 1408 | V | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -49.5 | 177.4 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | V1404 Y1405 S1410 Y1412 I1415 W1419 I1422 T1444 F1447 | V1404-V1408 HydrophobicContact CG1-CG2 4.4Å; V1404-V1408 WeakPolarHBondContact O-CG2 3.31Å; V1404-V1408 PolarHBondContact O-N 3.1Å; Y1405-V1408 PolarHBondContact O-N 2.63Å; V1408-S1410 VanDerWaalsContact C-N 3.27Å; V1408-S1410 PolarHBondContact O-N 3.21Å; V1408-Y1412 VanDerWaalsContact O-CB 3.26Å; V1408-Y1412 WeakPolarHBondContact O-CB 3.46Å; V1408-Y1412 PolarHBondContact O-N 2.67Å; V1408-Y1412 VanDerWaalsContact O-N 3.09Å; V1408-I1415 HydrophobicContact CG2-CD1 4.37Å; V1408-W1419 HydrophobicContact CG1-CH2 3.9Å; V1408-W1419 HydrophobicContact CG1-CZ3 4.1Å; V1408-W1419 HydrophobicContact CG2-CH2 4.36Å; V1408-W1419 HydrophobicContact CG2-CZ3 4.01Å; V1408-I1422 HydrophobicContact CG2-CD1 3.99Å; V1408-I1422 HydrophobicContact CG2-CG2 3.86Å; V1408-T1444 HydrophobicContact CB-CG2 3.84Å; V1408-T1444 HydrophobicContact CG1-CG2 3.89Å; V1408-T1444 HydrophobicContact CG2-CG2 3.8Å; V1408-F1447 HydrophobicContact CG1-CD1 4.1Å; V1408-F1447 HydrophobicContact CG1-CE1 4.44Å |
| 1409 | H | 91.4 | Very high | 90.4 | Very high | 52 Ų | 52 | 35.2 Ų | 35.2 | 24% | 0.241 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.4 | -26 | -175.5 | -72.2 | 82 | 0 | 0 | 0 | 113.5 | Y1405 Q1406 F1447 | Y1405-H1409 AromaticContact CD1-ND1 3.95Å; Y1405-H1409 AromaticContact CD2-CE1 3.43Å; Y1405-H1409 VanDerWaalsContact CD2-CE1 3.43Å; Y1405-H1409 WeakPolarHBondContact CD2-CE1 3.19Å; Y1405-H1409 AromaticContact CD2-ND1 3.72Å; Y1405-H1409 AromaticContact CE1-ND1 3.9Å; Y1405-H1409 AromaticContact CE2-CE1 3.14Å; Y1405-H1409 WeakPolarHBondContact CE2-CE1 3.37Å; Y1405-H1409 AromaticContact CE2-ND1 3.68Å; Y1405-H1409 AromaticContact CE2-NE2 3.73Å; Y1405-H1409 AromaticContact CG-ND1 3.84Å; Y1405-H1409 AromaticContact CZ-CE1 3.52Å; Y1405-H1409 AromaticContact CZ-ND1 3.76Å; Y1405-H1409 AromaticContact CZ-NE2 3.84Å; Y1405-H1409 PolarHBondContact O-N 3.41Å; Y1405-H1409 PolarHBondContact O-ND1 3.49Å; Q1406-H1409 PolarHBondContact O-N 2.85Å; H1409-F1447 AromaticContact CD2-CD1 3.97Å; H1409-F1447 AromaticContact CD2-CD2 3.91Å; H1409-F1447 AromaticContact CD2-CG 3.81Å; H1409-F1447 AromaticContact NE2-CD1 3.93Å; H1409-F1447 AromaticContact NE2-CD2 3.89Å; H1409-F1447 AromaticContact NE2-CG 3.51Å |
| 1410 | S | 88.1 | Confident | 90.4 | Very high | 64 Ų | 64 | 35 Ų | 35 | 45% | 0.448 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -92.6 | -32.7 | 179.9 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | Q1406 L1407 V1408 | Q1406-S1410 VanDerWaalsContact O-CB 3.3Å; Q1406-S1410 WeakPolarHBondContact O-CB 3.49Å; Q1406-S1410 PolarHBondContact O-N 3.01Å; Q1406-S1410 PolarHBondContact O-OG 3.23Å; L1407-S1410 PolarHBondContact O-OG 3.31Å; V1408-S1410 VanDerWaalsContact C-N 3.27Å; V1408-S1410 PolarHBondContact O-N 3.21Å |
| 1411 | Q | 87.9 | Confident | 90.3 | Very high | 30 Ų | 30 | 35.4 Ų | 35.4 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -131.6 | 16.4 | -165.8 | -64.3 | -69.3 | -9.1 | 0 | 0 | 114.1 | I1364 E1365 L1407 S1413 N1414 I1415 | I1364-Q1411 HydrophobicContact CG2-CB 3.71Å; I1364-Q1411 HydrophobicContact CG2-CG 4.28Å; E1365-Q1411 PolarHBondContact OE1-NE2 3.01Å; L1407-Q1411 WeakPolarHBondContact O-CB 3.35Å; L1407-Q1411 PolarHBondContact O-N 3.18Å; Q1411-S1413 PolarHBondContact O-N 3.24Å; Q1411-N1414 PolarHBondContact O-N 3.15Å; Q1411-N1414 PolarHBondContact OE1-ND2 3.22Å; Q1411-I1415 WeakPolarHBondContact O-CG1 3.11Å; Q1411-I1415 PolarHBondContact O-N 3.07Å |
| 1412 | Y | 88.9 | Confident | 90.4 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 21% | 0.208 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -49.2 | -35.7 | -175.7 | 64.7 | -89.8 | 0 | 0 | 0 | 114.4 | V1408 N1414 I1415 F1447 V1452 H1456 I1459 | V1408-Y1412 VanDerWaalsContact O-CB 3.26Å; V1408-Y1412 WeakPolarHBondContact O-CB 3.46Å; V1408-Y1412 PolarHBondContact O-N 2.67Å; V1408-Y1412 VanDerWaalsContact O-N 3.09Å; Y1412-N1414 PolarHBondContact O-N 2.95Å; Y1412-I1415 PolarHBondContact O-N 3.41Å; Y1412-F1447 HydrophobicContact CD1-CE1 4.01Å; Y1412-F1447 HydrophobicContact CD1-CZ 4.16Å; Y1412-F1447 HydrophobicContact CE1-CE1 4.49Å; Y1412-F1447 HydrophobicContact CE1-CZ 4.18Å; Y1412-F1447 HydrophobicContact CG-CE1 4.45Å; Y1412-V1452 HydrophobicContact CD2-CB 4.46Å; Y1412-V1452 HydrophobicContact CD2-CG1 4.09Å; Y1412-V1452 HydrophobicContact CD2-CG2 3.87Å; Y1412-V1452 HydrophobicContact CG-CG2 3.87Å; Y1412-H1456 AromaticContact CE2-CD2 3.51Å; Y1412-H1456 AromaticContact CE2-NE2 3.85Å; Y1412-I1459 VanDerWaalsContact O-CD1 3.25Å; Y1412-I1459 WeakPolarHBondContact O-CD1 3.47Å |
| 1413 | S | 87 | Confident | 90.4 | Very high | 42 Ų | 42 | 29.2 Ų | 29.2 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -67.5 | -20.2 | 179.4 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | Q1411 R1416 | Q1411-S1413 PolarHBondContact O-N 3.24Å; S1413-R1416 VanDerWaalsContact O-CZ 3.31Å; S1413-R1416 PolarHBondContact O-NH1 3.13Å; S1413-R1416 PolarHBondContact O-NH2 3.18Å |
| 1414 | N | 86.8 | Confident | 90.4 | Very high | 51 Ų | 51 | 30.1 Ų | 30.1 | 27% | 0.273 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -101.4 | -12 | -178.2 | -67.2 | -30 | 0 | 0 | 0 | 113.2 | I1364 Q1375 Q1411 Y1412 | I1364-N1414 HydrophobicContact CG2-CB 3.84Å; Q1375-N1414 PolarHBondContact NE2-O 3.34Å; Q1411-N1414 PolarHBondContact O-N 3.15Å; Q1411-N1414 PolarHBondContact OE1-ND2 3.22Å; Y1412-N1414 PolarHBondContact O-N 2.95Å |
| 1415 | I | 88.8 | Confident | 90.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -79.4 | 132.2 | 177.2 | -55.5 | 170.4 | 0 | 0 | 0 | 109.4 | I1364 L1407 V1408 Q1411 Y1412 W1419 I1422 I1459 | I1364-I1415 HydrophobicContact CD1-CG1 4.38Å; I1364-I1415 HydrophobicContact CG2-CG1 4Å; L1407-I1415 HydrophobicContact CG-CD1 4.32Å; V1408-I1415 HydrophobicContact CG2-CD1 4.37Å; Q1411-I1415 WeakPolarHBondContact O-CG1 3.11Å; Q1411-I1415 PolarHBondContact O-N 3.07Å; Y1412-I1415 PolarHBondContact O-N 3.41Å; I1415-W1419 HydrophobicContact CB-CD2 4.35Å; I1415-W1419 HydrophobicContact CB-CZ2 4.1Å; I1415-W1419 HydrophobicContact CD1-CZ2 4.39Å; I1415-W1419 HydrophobicContact CG2-CB 4.47Å; I1415-W1419 HydrophobicContact CG2-CD2 3.76Å; I1415-W1419 HydrophobicContact CG2-CG 3.7Å; I1415-W1419 HydrophobicContact CG2-CZ2 4.39Å; I1415-W1419 PolarHBondContact O-NE1 2.97Å; I1415-I1422 HydrophobicContact CD1-CD1 3.8Å; I1415-I1422 HydrophobicContact CG2-CD1 3.85Å; I1415-I1459 WeakPolarHBondContact O-CD1 3.34Å | ||
| 1416 | R | 87.2 | Confident | 90.4 | Very high | 90 Ų | 90 | 26.6 Ų | 26.6 | 34% | 0.34 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -129.4 | -102 | -178.3 | -63.9 | -70.3 | 177.2 | -80.6 | -3.5 | 108.6 | E1368 S1413 G1418 W1419 I1459 | E1368-R1416 HydrophobicContact CB-CB 4.2Å; E1368-R1416 HydrophobicContact CB-CG 4.25Å; E1368-R1416 VanDerWaalsContact OE2-CB 3.24Å; E1368-R1416 WeakPolarHBondContact OE2-CB 3.28Å; S1413-R1416 VanDerWaalsContact O-CZ 3.31Å; S1413-R1416 PolarHBondContact O-NH1 3.13Å; S1413-R1416 PolarHBondContact O-NH2 3.18Å; R1416-G1418 PolarHBondContact O-N 2.95Å; R1416-G1418 VanDerWaalsContact O-N 3.08Å; R1416-W1419 PolarHBondContact O-N 3.31Å; R1416-I1459 VanDerWaalsContact NH1-CD1 3.29Å; R1416-I1459 VanDerWaalsContact NH1-CG2 3.32Å |
| 1417 | S | 87.8 | Confident | 90.4 | Very high | 16 Ų | 16 | 25.1 Ų | 25.1 | 11% | 0.112 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.6 | 178.8 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | E1368 H1373 Q1375 K1376 W1419 | E1368-S1417 PolarHBondContact OE1-OG 3.42Å; E1368-S1417 WeakPolarHBondContact OE2-CB 3.21Å; E1368-S1417 PolarHBondContact OE2-N 3.34Å; E1368-S1417 PolarHBondContact OE2-OG 3.27Å; H1373-S1417 WeakPolarHBondContact CA-OG 3.42Å; Q1375-S1417 WeakPolarHBondContact CB-OG 3.31Å; Q1375-S1417 PolarHBondContact N-OG 2.78Å; K1376-S1417 PolarHBondContact N-OG 3.36Å; K1376-S1417 VanDerWaalsContact N-OG 3.09Å; S1417-W1419 PolarHBondContact O-N 3.08Å |
| 1418 | G | 89.6 | Confident | 90.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -23.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1416 T1420 N1421 I1422 | R1416-G1418 PolarHBondContact O-N 2.95Å; R1416-G1418 VanDerWaalsContact O-N 3.08Å; G1418-T1420 PolarHBondContact O-N 3.45Å; G1418-N1421 PolarHBondContact O-N 3.15Å; G1418-I1422 WeakPolarHBondContact O-CG1 3.5Å; G1418-I1422 PolarHBondContact O-N 3.09Å; G1418-I1422 VanDerWaalsContact O-N 3.1Å |
| 1419 | W | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.3 | -36.6 | 179.7 | -77.2 | 115.9 | 0 | 0 | 0 | 112.9 | V1408 I1415 R1416 S1417 N1421 I1422 F1423 T1448 V1452 I1459 V1460 A1463 | V1408-W1419 HydrophobicContact CG1-CH2 3.9Å; V1408-W1419 HydrophobicContact CG1-CZ3 4.1Å; V1408-W1419 HydrophobicContact CG2-CH2 4.36Å; V1408-W1419 HydrophobicContact CG2-CZ3 4.01Å; I1415-W1419 HydrophobicContact CB-CD2 4.35Å; I1415-W1419 HydrophobicContact CB-CZ2 4.1Å; I1415-W1419 HydrophobicContact CD1-CZ2 4.39Å; I1415-W1419 HydrophobicContact CG2-CB 4.47Å; I1415-W1419 HydrophobicContact CG2-CD2 3.76Å; I1415-W1419 HydrophobicContact CG2-CG 3.7Å; I1415-W1419 HydrophobicContact CG2-CZ2 4.39Å; I1415-W1419 PolarHBondContact O-NE1 2.97Å; R1416-W1419 PolarHBondContact O-N 3.31Å; S1417-W1419 PolarHBondContact O-N 3.08Å; W1419-N1421 VanDerWaalsContact C-N 3.35Å; W1419-N1421 PolarHBondContact O-N 3.36Å; W1419-I1422 HydrophobicContact CE3-CD1 4.33Å; W1419-I1422 HydrophobicContact CE3-CG2 4.32Å; W1419-I1422 PolarHBondContact O-N 3.03Å; W1419-F1423 HydrophobicContact CB-CD2 4.48Å; W1419-F1423 HydrophobicContact CB-CE2 4Å; W1419-F1423 HydrophobicContact CD2-CZ 4.3Å; W1419-F1423 AromaticContact CE3-CE1 3.97Å; W1419-F1423 HydrophobicContact CE3-CE1 3.97Å; W1419-F1423 HydrophobicContact CE3-CE2 4Å; W1419-F1423 AromaticContact CE3-CZ 3.47Å; W1419-F1423 HydrophobicContact CE3-CZ 3.47Å; W1419-F1423 VanDerWaalsContact CE3-CZ 3.47Å; W1419-F1423 HydrophobicContact CZ3-CE1 4.21Å; W1419-F1423 AromaticContact CZ3-CZ 3.98Å; W1419-F1423 HydrophobicContact CZ3-CZ 3.98Å; W1419-F1423 WeakPolarHBondContact O-CD2 3.27Å; W1419-F1423 WeakPolarHBondContact O-CG 3.4Å; W1419-F1423 PolarHBondContact O-N 3.07Å; W1419-T1448 HydrophobicContact CH2-CG2 4.04Å; W1419-T1448 HydrophobicContact CZ3-CG2 3.82Å; W1419-V1452 HydrophobicContact CH2-CG1 4.29Å; W1419-V1452 HydrophobicContact CH2-CG2 4.41Å; W1419-V1452 HydrophobicContact CZ2-CG1 4.02Å; W1419-I1459 VanDerWaalsContact CD1-O 3.28Å; W1419-V1460 HydrophobicContact CD2-CG1 4.2Å; W1419-V1460 HydrophobicContact CD2-CG2 4.21Å; W1419-V1460 HydrophobicContact CG-CG1 4.2Å; W1419-V1460 HydrophobicContact CG-CG2 4.43Å; W1419-V1460 HydrophobicContact CZ2-CG2 4.12Å; W1419-A1463 HydrophobicContact CB-CB 3.41Å; W1419-A1463 VanDerWaalsContact CB-CB 3.41Å |
| 1420 | T | 90.5 | Very high | 90 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 22% | 0.215 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 179.5 | -59.6 | 0 | 0 | 0 | 0 | 112 | G1418 A1424 P1466 | G1418-T1420 PolarHBondContact O-N 3.45Å; T1420-A1424 WeakPolarHBondContact O-CB 3.35Å; T1420-A1424 PolarHBondContact O-N 3.22Å; T1420-P1466 HydrophobicContact CG2-CG 4.17Å |
| 1421 | N | 91.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -79.7 | -28.8 | -178.6 | -76.3 | -2.4 | 0 | 0 | 0 | 112.3 | K1376 L1379 R1380 V1383 G1418 W1419 A1424 V1425 | K1376-N1421 PolarHBondContact O-ND2 2.96Å; L1379-N1421 HydrophobicContact CB-CB 4.05Å; R1380-N1421 VanDerWaalsContact CA-ND2 3.35Å; R1380-N1421 WeakPolarHBondContact CA-ND2 3.45Å; R1380-N1421 PolarHBondContact N-ND2 3.48Å; V1383-N1421 HydrophobicContact CG2-CB 3.87Å; V1383-N1421 WeakPolarHBondContact CG2-O 3.49Å; G1418-N1421 PolarHBondContact O-N 3.15Å; W1419-N1421 VanDerWaalsContact C-N 3.35Å; W1419-N1421 PolarHBondContact O-N 3.36Å; N1421-A1424 PolarHBondContact O-N 3.33Å; N1421-V1425 WeakPolarHBondContact O-CG2 3.49Å; N1421-V1425 PolarHBondContact O-N 3.45Å |
| 1422 | I | 94.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.4 | -51.8 | 169.2 | -73.2 | 167.4 | 0 | 0 | 0 | 110 | L1379 V1404 L1407 V1408 I1415 G1418 W1419 A1424 V1425 L1426 | L1379-I1422 HydrophobicContact CD1-CD1 4.16Å; L1379-I1422 HydrophobicContact CD1-CG1 4.01Å; V1404-I1422 HydrophobicContact CG1-CB 4.43Å; V1404-I1422 HydrophobicContact CG1-CG1 4.37Å; V1404-I1422 HydrophobicContact CG1-CG2 3.74Å; L1407-I1422 HydrophobicContact CD2-CD1 4.39Å; V1408-I1422 HydrophobicContact CG2-CD1 3.99Å; V1408-I1422 HydrophobicContact CG2-CG2 3.86Å; I1415-I1422 HydrophobicContact CD1-CD1 3.8Å; I1415-I1422 HydrophobicContact CG2-CD1 3.85Å; G1418-I1422 WeakPolarHBondContact O-CG1 3.5Å; G1418-I1422 PolarHBondContact O-N 3.09Å; G1418-I1422 VanDerWaalsContact O-N 3.1Å; W1419-I1422 HydrophobicContact CE3-CD1 4.33Å; W1419-I1422 HydrophobicContact CE3-CG2 4.32Å; W1419-I1422 PolarHBondContact O-N 3.03Å; I1422-A1424 VanDerWaalsContact C-N 3.3Å; I1422-A1424 PolarHBondContact O-N 3.05Å; I1422-V1425 WeakPolarHBondContact O-CB 3.2Å; I1422-V1425 PolarHBondContact O-N 3.45Å; I1422-L1426 HydrophobicContact CG2-CD1 4.21Å; I1422-L1426 WeakPolarHBondContact O-CG 3.29Å; I1422-L1426 PolarHBondContact O-N 3.18Å |
| 1423 | F | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.5 | -29.5 | 178.7 | -59.4 | -44.3 | 0 | 0 | 0 | 112.9 | W1419 L1426 H1427 T1448 V1460 A1463 P1466 L1467 | W1419-F1423 HydrophobicContact CB-CD2 4.48Å; W1419-F1423 HydrophobicContact CB-CE2 4Å; W1419-F1423 HydrophobicContact CD2-CZ 4.3Å; W1419-F1423 AromaticContact CE3-CE1 3.97Å; W1419-F1423 HydrophobicContact CE3-CE1 3.97Å; W1419-F1423 HydrophobicContact CE3-CE2 4Å; W1419-F1423 AromaticContact CE3-CZ 3.47Å; W1419-F1423 HydrophobicContact CE3-CZ 3.47Å; W1419-F1423 VanDerWaalsContact CE3-CZ 3.47Å; W1419-F1423 HydrophobicContact CZ3-CE1 4.21Å; W1419-F1423 AromaticContact CZ3-CZ 3.98Å; W1419-F1423 HydrophobicContact CZ3-CZ 3.98Å; W1419-F1423 WeakPolarHBondContact O-CD2 3.27Å; W1419-F1423 WeakPolarHBondContact O-CG 3.4Å; W1419-F1423 PolarHBondContact O-N 3.07Å; F1423-L1426 HydrophobicContact CD1-CD1 4.19Å; F1423-L1426 PolarHBondContact O-N 3.27Å; F1423-H1427 WeakPolarHBondContact O-CB 3.37Å; F1423-H1427 PolarHBondContact O-N 3.27Å; F1423-T1448 HydrophobicContact CE1-CG2 4.13Å; F1423-T1448 HydrophobicContact CZ-CG2 3.88Å; F1423-V1460 HydrophobicContact CE2-CG1 3.67Å; F1423-V1460 HydrophobicContact CZ-CG1 3.74Å; F1423-A1463 HydrophobicContact CD2-CB 3.82Å; F1423-A1463 VanDerWaalsContact CD2-O 3.22Å; F1423-A1463 WeakPolarHBondContact CD2-O 3.37Å; F1423-A1463 HydrophobicContact CE2-CB 3.78Å; F1423-A1463 WeakPolarHBondContact CE2-O 3.45Å; F1423-P1466 HydrophobicContact CB-CB 3.75Å; F1423-P1466 HydrophobicContact CD2-CB 4.26Å; F1423-P1466 HydrophobicContact CG-CB 4.5Å; F1423-L1467 HydrophobicContact CD1-CB 4.05Å; F1423-L1467 HydrophobicContact CD1-CD1 3.85Å; F1423-L1467 HydrophobicContact CD2-CB 3.68Å; F1423-L1467 HydrophobicContact CE1-CB 4.09Å; F1423-L1467 HydrophobicContact CE1-CD1 3.61Å; F1423-L1467 HydrophobicContact CE1-CG 4.28Å; F1423-L1467 HydrophobicContact CE2-CB 3.69Å; F1423-L1467 HydrophobicContact CG-CB 3.88Å; F1423-L1467 HydrophobicContact CZ-CB 3.9Å; F1423-L1467 HydrophobicContact CZ-CD1 4.06Å; F1423-L1467 HydrophobicContact CZ-CD2 4.19Å; F1423-L1467 HydrophobicContact CZ-CG 4.27Å |
| 1424 | A | 90.9 | Very high | 89.3 | Confident | 23 Ų | 23 | 28.6 Ų | 28.6 | 19% | 0.19 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1383 T1420 N1421 I1422 H1427 L1428 | V1383-A1424 HydrophobicContact CG1-CB 4.19Å; V1383-A1424 HydrophobicContact CG2-CB 3.86Å; T1420-A1424 WeakPolarHBondContact O-CB 3.35Å; T1420-A1424 PolarHBondContact O-N 3.22Å; N1421-A1424 PolarHBondContact O-N 3.33Å; I1422-A1424 VanDerWaalsContact C-N 3.3Å; I1422-A1424 PolarHBondContact O-N 3.05Å; A1424-H1427 PolarHBondContact O-N 3.5Å; A1424-L1428 WeakPolarHBondContact O-CG 3.34Å; A1424-L1428 PolarHBondContact O-N 3.31Å |
| 1425 | V | 92.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -49.3 | 172.6 | 170 | 0 | 0 | 0 | 0 | 110.8 | F1382 V1383 L1386 I1400 V1404 N1421 I1422 H1427 L1428 I1429 | F1382-V1425 HydrophobicContact CB-CG2 3.88Å; V1383-V1425 HydrophobicContact CG2-CG2 3.74Å; L1386-V1425 HydrophobicContact CD1-CB 4.46Å; L1386-V1425 HydrophobicContact CD1-CG1 3.82Å; L1386-V1425 HydrophobicContact CD1-CG2 4.42Å; I1400-V1425 HydrophobicContact CG2-CG1 3.9Å; V1404-V1425 HydrophobicContact CG2-CB 4.41Å; V1404-V1425 HydrophobicContact CG2-CG1 4.03Å; N1421-V1425 WeakPolarHBondContact O-CG2 3.49Å; N1421-V1425 PolarHBondContact O-N 3.45Å; I1422-V1425 WeakPolarHBondContact O-CB 3.2Å; I1422-V1425 PolarHBondContact O-N 3.45Å; V1425-H1427 VanDerWaalsContact C-N 3.29Å; V1425-H1427 PolarHBondContact O-N 2.91Å; V1425-L1428 PolarHBondContact O-N 3.29Å; V1425-I1429 VanDerWaalsContact O-CG1 3.29Å; V1425-I1429 WeakPolarHBondContact O-CG1 3.42Å; V1425-I1429 PolarHBondContact O-N 3.1Å; V1425-I1429 VanDerWaalsContact O-N 3.14Å |
| 1426 | L | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -36.3 | -179.3 | -60.9 | 178.4 | 0 | 0 | 0 | 112 | V1404 I1422 F1423 I1429 A1430 A1441 T1444 C1445 | V1404-L1426 HydrophobicContact CG1-CD2 4.24Å; I1422-L1426 HydrophobicContact CG2-CD1 4.21Å; I1422-L1426 WeakPolarHBondContact O-CG 3.29Å; I1422-L1426 PolarHBondContact O-N 3.18Å; F1423-L1426 HydrophobicContact CD1-CD1 4.19Å; F1423-L1426 PolarHBondContact O-N 3.27Å; L1426-I1429 PolarHBondContact O-N 3.18Å; L1426-A1430 WeakPolarHBondContact O-CB 3.49Å; L1426-A1430 PolarHBondContact O-N 2.84Å; L1426-A1441 HydrophobicContact CD2-CB 3.7Å; L1426-T1444 HydrophobicContact CD1-CG2 3.93Å; L1426-C1445 VanDerWaalsContact CD1-SG 3.56Å |
| 1427 | H | 91.2 | Very high | 89.5 | Confident | 59 Ų | 59 | 30.4 Ų | 30.4 | 27% | 0.273 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63 | -46.1 | 174.8 | 172.9 | 64.1 | 0 | 0 | 0 | 112.2 | F1423 A1424 V1425 I1429 A1430 A1470 | F1423-H1427 WeakPolarHBondContact O-CB 3.37Å; F1423-H1427 PolarHBondContact O-N 3.27Å; A1424-H1427 PolarHBondContact O-N 3.5Å; V1425-H1427 VanDerWaalsContact C-N 3.29Å; V1425-H1427 PolarHBondContact O-N 2.91Å; H1427-I1429 VanDerWaalsContact C-N 3.28Å; H1427-I1429 PolarHBondContact O-N 3.04Å; H1427-A1430 WeakPolarHBondContact O-CB 3.49Å; H1427-A1430 PolarHBondContact O-N 3.34Å; H1427-A1470 HydrophobicContact CB-CB 3.92Å |
| 1428 | L | 89.2 | Confident | 89.7 | Confident | 52 Ų | 52 | 29.6 Ų | 29.6 | 27% | 0.272 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.4 | -38 | 178.3 | -69.2 | 165.5 | 0 | 0 | 0 | 111.9 | V1383 L1386 E1387 A1424 V1425 S1431 | V1383-L1428 HydrophobicContact CG1-CD1 4.08Å; L1386-L1428 HydrophobicContact CB-CD1 3.87Å; E1387-L1428 HydrophobicContact CG-CD1 3.5Å; E1387-L1428 VanDerWaalsContact CG-CD1 3.5Å; E1387-L1428 HydrophobicContact CG-CD2 3.97Å; E1387-L1428 HydrophobicContact CG-CG 4.37Å; A1424-L1428 WeakPolarHBondContact O-CG 3.34Å; A1424-L1428 PolarHBondContact O-N 3.31Å; V1425-L1428 PolarHBondContact O-N 3.29Å; L1428-S1431 PolarHBondContact O-OG 2.93Å |
| 1429 | I | 90 | Very high | 89.8 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -77.6 | -24.5 | -179 | -65.2 | -69.8 | 0 | 0 | 0 | 112.6 | L1386 Q1397 V1401 V1425 L1426 H1427 S1431 S1432 I1437 A1441 | L1386-I1429 HydrophobicContact CD1-CD1 4.07Å; L1386-I1429 HydrophobicContact CD1-CG1 4.08Å; L1386-I1429 HydrophobicContact CD2-CD1 4.13Å; Q1397-I1429 HydrophobicContact CB-CD1 4.21Å; Q1397-I1429 HydrophobicContact CG-CD1 4.43Å; V1401-I1429 HydrophobicContact CG2-CB 4.24Å; V1401-I1429 HydrophobicContact CG2-CD1 3.82Å; V1401-I1429 HydrophobicContact CG2-CG1 3.58Å; V1401-I1429 HydrophobicContact CG2-CG2 3.91Å; V1425-I1429 VanDerWaalsContact O-CG1 3.29Å; V1425-I1429 WeakPolarHBondContact O-CG1 3.42Å; V1425-I1429 PolarHBondContact O-N 3.1Å; V1425-I1429 VanDerWaalsContact O-N 3.14Å; L1426-I1429 PolarHBondContact O-N 3.18Å; H1427-I1429 VanDerWaalsContact C-N 3.28Å; H1427-I1429 PolarHBondContact O-N 3.04Å; I1429-S1431 PolarHBondContact O-N 2.65Å; I1429-S1431 VanDerWaalsContact O-N 3.07Å; I1429-S1432 WeakPolarHBondContact O-CB 3.27Å; I1429-S1432 PolarHBondContact O-N 2.99Å; I1429-I1437 HydrophobicContact CD1-CG2 4.36Å; I1429-I1437 HydrophobicContact CG2-CG2 3.54Å; I1429-A1441 HydrophobicContact CG2-CB 3.83Å |
| 1430 | A | 87.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -25.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1426 H1427 E1473 F1474 N1477 | L1426-A1430 WeakPolarHBondContact O-CB 3.49Å; L1426-A1430 PolarHBondContact O-N 2.84Å; H1427-A1430 WeakPolarHBondContact O-CB 3.49Å; H1427-A1430 PolarHBondContact O-N 3.34Å; A1430-E1473 HydrophobicContact CB-CB 3.7Å; A1430-E1473 HydrophobicContact CB-CG 3.7Å; A1430-F1474 HydrophobicContact CB-CD1 3.75Å; A1430-F1474 HydrophobicContact CB-CD2 3.85Å; A1430-F1474 HydrophobicContact CB-CE1 3.76Å; A1430-F1474 HydrophobicContact CB-CE2 3.83Å; A1430-F1474 HydrophobicContact CB-CG 3.79Å; A1430-F1474 HydrophobicContact CB-CZ 3.78Å; A1430-N1477 PolarHBondContact O-ND2 3.25Å |
| 1431 | S | 81.1 | Confident | 90.1 | Very high | 73 Ų | 73 | 33.2 Ų | 33.2 | 51% | 0.51 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.2 | 175.7 | 66.8 | 0 | 0 | 0 | 0 | 114.5 | L1428 I1429 | L1428-S1431 PolarHBondContact O-OG 2.93Å; I1429-S1431 PolarHBondContact O-N 2.65Å; I1429-S1431 VanDerWaalsContact O-N 3.07Å |
| 1432 | S | 85.2 | Confident | 90.2 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | trans | -63.9 | 152.7 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | I1429 N1434 V1438 N1477 | I1429-S1432 WeakPolarHBondContact O-CB 3.27Å; I1429-S1432 PolarHBondContact O-N 2.99Å; S1432-N1434 PolarHBondContact OG-N 2.9Å; S1432-V1438 WeakPolarHBondContact O-CG2 3.44Å; S1432-N1477 PolarHBondContact O-ND2 2.72Å; S1432-N1477 VanDerWaalsContact O-ND2 3.09Å | ||
| 1433 | L | 81.7 | Confident | 90.3 | Very high | 113 Ų | 113 | 37.3 Ų | 37.3 | 59% | 0.592 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -91.8 | -6.7 | 176.9 | -59.8 | 178.7 | 0 | 0 | 0 | 113.1 | R1479 | L1433-R1479 PolarHBondContact O-NE 2.84Š|
| 1434 | N | 87.3 | Confident | 90.3 | Very high | 58 Ų | 58 | 37.3 Ų | 37.3 | 31% | 0.31 | 21% | 0.207 | S | C | . | . | trans | -89.3 | 111.6 | -177.6 | -172.9 | -24.5 | 0 | 0 | 0 | 110.9 | S1432 A1436 I1437 V1438 | S1432-N1434 PolarHBondContact OG-N 2.9Å; N1434-A1436 PolarHBondContact O-N 3.23Å; N1434-A1436 PolarHBondContact OD1-N 3.06Å; N1434-I1437 HydrophobicContact CB-CB 4.3Å; N1434-I1437 HydrophobicContact CB-CD1 3.98Å; N1434-I1437 HydrophobicContact CB-CG1 4.13Å; N1434-I1437 WeakPolarHBondContact ND2-CD1 3.47Å; N1434-I1437 PolarHBondContact O-N 3.32Å; N1434-V1438 WeakPolarHBondContact O-CG2 3.37Å; N1434-V1438 PolarHBondContact O-N 2.96Å | ||
| 1435 | E | 88.5 | Confident | 90.5 | Very high | 118 Ų | 118 | 36.2 Ų | 36.2 | 55% | 0.551 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -54.4 | -50.7 | -177.1 | -174.2 | 171.7 | 179.6 | 0 | 0 | 112.8 | I1437 V1438 D1439 F1480 | E1435-I1437 VanDerWaalsContact C-N 3.29Å; E1435-I1437 PolarHBondContact O-N 3.36Å; E1435-V1438 PolarHBondContact O-N 3.36Å; E1435-D1439 WeakPolarHBondContact O-CB 3.43Å; E1435-D1439 VanDerWaalsContact O-CG 3.24Å; E1435-D1439 PolarHBondContact O-N 3.07Å; E1435-F1480 HydrophobicContact CB-CE1 3.65Å; E1435-F1480 HydrophobicContact CB-CZ 3.95Å; E1435-F1480 HydrophobicContact CG-CD1 4.44Å; E1435-F1480 HydrophobicContact CG-CE1 3.75Å; E1435-F1480 HydrophobicContact CG-CZ 4.49Å |
| 1436 | A | 89 | Confident | 90.6 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 50% | 0.496 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -36.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1434 M1440 | N1434-A1436 PolarHBondContact O-N 3.23Å; N1434-A1436 PolarHBondContact OD1-N 3.06Å; A1436-M1440 WeakPolarHBondContact O-CB 3.49Å; A1436-M1440 PolarHBondContact O-N 3.03Å |
| 1437 | I | 90.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.9 | -43.4 | 179.4 | -57.5 | -179.7 | 0 | 0 | 0 | 110 | Q1397 D1398 V1401 I1429 N1434 E1435 M1440 A1441 | Q1397-I1437 HydrophobicContact CB-CD1 4.14Å; D1398-I1437 HydrophobicContact CB-CD1 4.02Å; D1398-I1437 HydrophobicContact CB-CG1 4.12Å; V1401-I1437 HydrophobicContact CB-CG2 4.14Å; V1401-I1437 HydrophobicContact CG1-CG2 4.31Å; V1401-I1437 HydrophobicContact CG2-CG2 3.71Å; I1429-I1437 HydrophobicContact CD1-CG2 4.36Å; I1429-I1437 HydrophobicContact CG2-CG2 3.54Å; N1434-I1437 HydrophobicContact CB-CB 4.3Å; N1434-I1437 HydrophobicContact CB-CD1 3.98Å; N1434-I1437 HydrophobicContact CB-CG1 4.13Å; N1434-I1437 WeakPolarHBondContact ND2-CD1 3.47Å; N1434-I1437 PolarHBondContact O-N 3.32Å; E1435-I1437 VanDerWaalsContact C-N 3.29Å; E1435-I1437 PolarHBondContact O-N 3.36Å; I1437-M1440 PolarHBondContact O-N 3.38Å; I1437-A1441 WeakPolarHBondContact O-CB 3.45Å; I1437-A1441 PolarHBondContact O-N 2.82Å |
| 1438 | V | 91.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 111 | S1432 N1434 E1435 M1440 A1441 F1442 F1474 F1480 | S1432-V1438 WeakPolarHBondContact O-CG2 3.44Å; N1434-V1438 WeakPolarHBondContact O-CG2 3.37Å; N1434-V1438 PolarHBondContact O-N 2.96Å; E1435-V1438 PolarHBondContact O-N 3.36Å; V1438-M1440 PolarHBondContact O-N 3.21Å; V1438-A1441 PolarHBondContact O-N 2.95Å; V1438-F1442 VanDerWaalsContact O-CB 3.3Å; V1438-F1442 WeakPolarHBondContact O-CB 3.24Å; V1438-F1442 PolarHBondContact O-N 3.03Å; V1438-F1474 HydrophobicContact CG1-CD1 4.06Å; V1438-F1474 HydrophobicContact CG1-CE1 3.97Å; V1438-F1480 HydrophobicContact CB-CD2 4.36Å; V1438-F1480 HydrophobicContact CB-CE2 4.12Å; V1438-F1480 HydrophobicContact CG1-CD2 3.82Å; V1438-F1480 HydrophobicContact CG1-CE2 4.08Å; V1438-F1480 HydrophobicContact CG1-CG 4.41Å; V1438-F1480 HydrophobicContact CG2-CD2 4.43Å; V1438-F1480 HydrophobicContact CG2-CE2 3.92Å |
| 1439 | D | 92.6 | Very high | 91 | Very high | 68 Ų | 68 | 35 Ų | 35 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 179.3 | -71.9 | -16.7 | 0 | 0 | 0 | 111.7 | E1435 A1441 F1442 E1443 | E1435-D1439 WeakPolarHBondContact O-CB 3.43Å; E1435-D1439 VanDerWaalsContact O-CG 3.24Å; E1435-D1439 PolarHBondContact O-N 3.07Å; D1439-A1441 PolarHBondContact O-N 3.4Å; D1439-F1442 PolarHBondContact O-N 2.97Å; D1439-E1443 WeakPolarHBondContact O-CB 3.44Å; D1439-E1443 PolarHBondContact O-N 3.45Å |
| 1440 | M | 93.2 | Very high | 91.2 | Very high | 42 Ų | 42 | 37.4 Ų | 37.4 | 21% | 0.207 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 176.5 | -167.3 | 89.7 | 64.8 | 0 | 0 | 111.8 | V1401 Y1405 A1436 I1437 V1438 T1444 | V1401-M1440 HydrophobicContact CG1-CB 4.01Å; V1401-M1440 HydrophobicContact CG1-CG 4Å; Y1405-M1440 HydrophobicContact CD1-SD 4.06Å; Y1405-M1440 HydrophobicContact CD2-CG 3.73Å; Y1405-M1440 HydrophobicContact CD2-SD 3.74Å; Y1405-M1440 HydrophobicContact CE1-SD 4.33Å; Y1405-M1440 HydrophobicContact CE2-CG 4.47Å; Y1405-M1440 HydrophobicContact CE2-SD 4.02Å; Y1405-M1440 HydrophobicContact CG-CG 3.89Å; Y1405-M1440 HydrophobicContact CG-SD 3.78Å; A1436-M1440 WeakPolarHBondContact O-CB 3.49Å; A1436-M1440 PolarHBondContact O-N 3.03Å; I1437-M1440 PolarHBondContact O-N 3.38Å; V1438-M1440 PolarHBondContact O-N 3.21Å; M1440-T1444 PolarHBondContact O-N 2.75Å; M1440-T1444 PolarHBondContact O-OG1 3.47Å |
| 1441 | A | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1401 L1426 I1429 I1437 V1438 D1439 T1444 C1445 F1474 | V1401-A1441 HydrophobicContact CG1-CB 3.99Å; L1426-A1441 HydrophobicContact CD2-CB 3.7Å; I1429-A1441 HydrophobicContact CG2-CB 3.83Å; I1437-A1441 WeakPolarHBondContact O-CB 3.45Å; I1437-A1441 PolarHBondContact O-N 2.82Å; V1438-A1441 PolarHBondContact O-N 2.95Å; D1439-A1441 PolarHBondContact O-N 3.4Å; A1441-T1444 WeakPolarHBondContact O-CB 3.46Å; A1441-T1444 PolarHBondContact O-N 3.17Å; A1441-C1445 PolarHBondContact O-N 3.33Å; A1441-F1474 HydrophobicContact CB-CE1 4.19Å; A1441-F1474 HydrophobicContact CB-CZ 3.73Å |
| 1442 | F | 95.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 177.2 | -174.4 | -104.8 | 0 | 0 | 0 | 112.3 | V1438 D1439 T1444 C1445 H1446 L1471 F1474 T1483 E1486 L1490 | V1438-F1442 VanDerWaalsContact O-CB 3.3Å; V1438-F1442 WeakPolarHBondContact O-CB 3.24Å; V1438-F1442 PolarHBondContact O-N 3.03Å; D1439-F1442 PolarHBondContact O-N 2.97Å; F1442-T1444 PolarHBondContact O-N 3.15Å; F1442-C1445 WeakPolarHBondContact O-CB 3.44Å; F1442-C1445 PolarHBondContact O-N 3.18Å; F1442-H1446 WeakPolarHBondContact O-CB 3.12Å; F1442-H1446 PolarHBondContact O-N 3.25Å; F1442-L1471 HydrophobicContact CE2-CD2 4.38Å; F1442-F1474 HydrophobicContact CB-CD1 4.13Å; F1442-F1474 HydrophobicContact CB-CE1 3.92Å; F1442-F1474 HydrophobicContact CB-CZ 4.3Å; F1442-F1474 HydrophobicContact CD2-CB 4.02Å; F1442-F1474 AromaticContact CD2-CD1 3.99Å; F1442-F1474 HydrophobicContact CD2-CD1 3.99Å; F1442-F1474 HydrophobicContact CD2-CD2 4.01Å; F1442-F1474 HydrophobicContact CD2-CE1 4.47Å; F1442-F1474 AromaticContact CD2-CG 3.75Å; F1442-F1474 HydrophobicContact CD2-CG 3.75Å; F1442-F1474 HydrophobicContact CE2-CB 4.34Å; F1442-F1474 HydrophobicContact CE2-CG 4.49Å; F1442-T1483 HydrophobicContact CB-CG2 3.84Å; F1442-T1483 HydrophobicContact CD1-CG2 3.67Å; F1442-T1483 HydrophobicContact CD2-CG2 3.5Å; F1442-T1483 HydrophobicContact CE1-CG2 4.05Å; F1442-T1483 HydrophobicContact CE2-CG2 3.93Å; F1442-T1483 HydrophobicContact CG-CG2 3.36Å; F1442-T1483 HydrophobicContact CZ-CG2 4.17Å; F1442-E1486 HydrophobicContact CE1-CB 4.04Å; F1442-E1486 HydrophobicContact CE1-CG 3.7Å; F1442-E1486 HydrophobicContact CZ-CB 3.85Å; F1442-E1486 HydrophobicContact CZ-CG 3.73Å; F1442-L1490 HydrophobicContact CE2-CD1 4.19Å; F1442-L1490 HydrophobicContact CZ-CD1 3.88Å |
| 1443 | E | 95.3 | Very high | 92.2 | Very high | 81 Ų | 81 | 36.3 Ų | 36.3 | 38% | 0.379 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.1 | -34.3 | 176 | -172.8 | 56.7 | -145.4 | 0 | 0 | 111.3 | Y1405 D1439 H1446 F1447 | Y1405-E1443 HydrophobicContact CE2-CB 4.34Å; Y1405-E1443 HydrophobicContact CE2-CG 4.14Å; D1439-E1443 WeakPolarHBondContact O-CB 3.44Å; D1439-E1443 PolarHBondContact O-N 3.45Å; E1443-H1446 PolarHBondContact O-N 2.99Å; E1443-H1446 IonicContact OE1-ND1 2.7Å; E1443-H1446 PolarHBondContact OE1-ND1 3.39Å; E1443-H1446 IonicContact OE2-ND1 3.91Å; E1443-F1447 WeakPolarHBondContact O-CB 3.18Å; E1443-F1447 PolarHBondContact O-N 3.49Å |
| 1444 | T | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 173.8 | -51.6 | 0 | 0 | 0 | 0 | 111.9 | Y1405 V1408 L1426 M1440 A1441 F1442 T1448 | Y1405-T1444 VanDerWaalsContact CD2-OG1 3.31Å; Y1405-T1444 WeakPolarHBondContact CD2-OG1 3.39Å; V1408-T1444 HydrophobicContact CB-CG2 3.84Å; V1408-T1444 HydrophobicContact CG1-CG2 3.89Å; V1408-T1444 HydrophobicContact CG2-CG2 3.8Å; L1426-T1444 HydrophobicContact CD1-CG2 3.93Å; M1440-T1444 PolarHBondContact O-N 2.75Å; M1440-T1444 PolarHBondContact O-OG1 3.47Å; A1441-T1444 WeakPolarHBondContact O-CB 3.46Å; A1441-T1444 PolarHBondContact O-N 3.17Å; F1442-T1444 PolarHBondContact O-N 3.15Å; T1444-T1448 WeakPolarHBondContact O-CB 3.42Å; T1444-T1448 PolarHBondContact O-N 3.02Å; T1444-T1448 PolarHBondContact O-OG1 3.03Å |
| 1445 | C | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 173.1 | -75.3 | 0 | 0 | 0 | 0 | 111.6 | L1426 A1441 F1442 T1448 V1449 L1467 L1471 | L1426-C1445 VanDerWaalsContact CD1-SG 3.56Å; A1441-C1445 PolarHBondContact O-N 3.33Å; F1442-C1445 WeakPolarHBondContact O-CB 3.44Å; F1442-C1445 PolarHBondContact O-N 3.18Å; C1445-T1448 PolarHBondContact O-N 3.48Å; C1445-V1449 WeakPolarHBondContact O-CG2 3.22Å; C1445-V1449 PolarHBondContact O-N 2.88Å; C1445-L1467 HydrophobicContact CB-CD1 4.41Å; C1445-L1471 HydrophobicContact CB-CD2 3.88Å |
| 1446 | H | 95.2 | Very high | 92.2 | Very high | 46 Ų | 46 | 40 Ų | 40 | 21% | 0.213 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -51 | 178.7 | 176.4 | -96.5 | 0 | 0 | 0 | 111.4 | F1442 E1443 T1448 V1449 K1450 E1486 L1490 | F1442-H1446 WeakPolarHBondContact O-CB 3.12Å; F1442-H1446 PolarHBondContact O-N 3.25Å; E1443-H1446 PolarHBondContact O-N 2.99Å; E1443-H1446 IonicContact OE1-ND1 2.7Å; E1443-H1446 PolarHBondContact OE1-ND1 3.39Å; E1443-H1446 IonicContact OE2-ND1 3.91Å; H1446-T1448 VanDerWaalsContact C-N 3.29Å; H1446-T1448 PolarHBondContact O-N 3.12Å; H1446-V1449 PolarHBondContact O-N 3.26Å; H1446-K1450 VanDerWaalsContact O-CB 3.27Å; H1446-K1450 WeakPolarHBondContact O-CB 3.43Å; H1446-K1450 PolarHBondContact O-N 3.26Å; H1446-E1486 IonicContact CD2-OE1 3.6Å; H1446-L1490 HydrophobicContact CB-CD1 4.06Å |
| 1447 | F | 95.6 | Very high | 92.1 | Very high | 38 Ų | 38 | 37.7 Ų | 37.7 | 17% | 0.167 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57 | -42.4 | 174.8 | 177.7 | -98.9 | 0 | 0 | 0 | 111.9 | V1408 H1409 Y1412 E1443 K1450 T1451 V1452 | V1408-F1447 HydrophobicContact CG1-CD1 4.1Å; V1408-F1447 HydrophobicContact CG1-CE1 4.44Å; H1409-F1447 AromaticContact CD2-CD1 3.97Å; H1409-F1447 AromaticContact CD2-CD2 3.91Å; H1409-F1447 AromaticContact CD2-CG 3.81Å; H1409-F1447 AromaticContact NE2-CD1 3.93Å; H1409-F1447 AromaticContact NE2-CD2 3.89Å; H1409-F1447 AromaticContact NE2-CG 3.51Å; Y1412-F1447 HydrophobicContact CD1-CE1 4.01Å; Y1412-F1447 HydrophobicContact CD1-CZ 4.16Å; Y1412-F1447 HydrophobicContact CE1-CE1 4.49Å; Y1412-F1447 HydrophobicContact CE1-CZ 4.18Å; Y1412-F1447 HydrophobicContact CG-CE1 4.45Å; E1443-F1447 WeakPolarHBondContact O-CB 3.18Å; E1443-F1447 PolarHBondContact O-N 3.49Å; F1447-K1450 PolarHBondContact O-N 3.24Å; F1447-T1451 HydrophobicContact CD2-CG2 4.44Å; F1447-T1451 HydrophobicContact CE2-CG2 3.76Å; F1447-T1451 HydrophobicContact CZ-CG2 3.97Å; F1447-T1451 WeakPolarHBondContact O-CA 3.39Å; F1447-T1451 WeakPolarHBondContact O-CB 3.38Å; F1447-T1451 PolarHBondContact O-N 3.16Å; F1447-T1451 PolarHBondContact O-OG1 3.29Å; F1447-V1452 HydrophobicContact CD1-CG2 4.02Å; F1447-V1452 HydrophobicContact CE1-CG2 3.73Å; F1447-V1452 PolarHBondContact O-N 3.38Å |
| 1448 | T | 94 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -63.3 | -49.6 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | W1419 F1423 T1444 C1445 H1446 V1452 F1453 | W1419-T1448 HydrophobicContact CH2-CG2 4.04Å; W1419-T1448 HydrophobicContact CZ3-CG2 3.82Å; F1423-T1448 HydrophobicContact CE1-CG2 4.13Å; F1423-T1448 HydrophobicContact CZ-CG2 3.88Å; T1444-T1448 WeakPolarHBondContact O-CB 3.42Å; T1444-T1448 PolarHBondContact O-N 3.02Å; T1444-T1448 PolarHBondContact O-OG1 3.03Å; C1445-T1448 PolarHBondContact O-N 3.48Å; H1446-T1448 VanDerWaalsContact C-N 3.29Å; H1446-T1448 PolarHBondContact O-N 3.12Å; T1448-V1452 HydrophobicContact CG2-CB 4.17Å; T1448-V1452 HydrophobicContact CG2-CG2 4.45Å; T1448-V1452 WeakPolarHBondContact O-CA 3.49Å; T1448-V1452 VanDerWaalsContact O-CB 3.31Å; T1448-V1452 WeakPolarHBondContact O-CB 3.43Å; T1448-V1452 PolarHBondContact O-N 3.49Å; T1448-V1452 VanDerWaalsContact O-N 3.15Å; T1448-F1453 HydrophobicContact CG2-CE1 4.39Å; T1448-F1453 PolarHBondContact O-N 3.15Å |
| 1449 | V | 93.7 | Very high | 91.6 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -69.6 | -35.4 | -179.6 | 175.9 | 0 | 0 | 0 | 0 | 112 | C1445 H1446 F1453 L1467 L1471 L1490 I1493 | C1445-V1449 WeakPolarHBondContact O-CG2 3.22Å; C1445-V1449 PolarHBondContact O-N 2.88Å; H1446-V1449 PolarHBondContact O-N 3.26Å; V1449-F1453 HydrophobicContact CG1-CD2 4.28Å; V1449-F1453 HydrophobicContact CG1-CE2 4.5Å; V1449-F1453 HydrophobicContact CG2-CE2 4.33Å; V1449-F1453 WeakPolarHBondContact O-CB 3.32Å; V1449-L1467 HydrophobicContact CG2-CD1 4.34Å; V1449-L1467 HydrophobicContact CG2-CD2 3.96Å; V1449-L1471 HydrophobicContact CG2-CD1 4.21Å; V1449-L1490 HydrophobicContact CB-CD2 4.14Å; V1449-L1490 HydrophobicContact CG1-CB 4.35Å; V1449-L1490 HydrophobicContact CG1-CD2 3.92Å; V1449-I1493 HydrophobicContact CG1-CB 4.14Å; V1449-I1493 HydrophobicContact CG1-CG2 3.8Å |
| 1450 | K | 92.7 | Very high | 91.3 | Very high | 55 Ų | 55 | 45 Ų | 45 | 24% | 0.239 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -87.5 | -32.4 | -174.8 | -76 | -62.4 | -166.2 | 179.3 | 0 | 115.2 | H1446 F1447 K1454 L1490 I1493 | H1446-K1450 VanDerWaalsContact O-CB 3.27Å; H1446-K1450 WeakPolarHBondContact O-CB 3.43Å; H1446-K1450 PolarHBondContact O-N 3.26Å; F1447-K1450 PolarHBondContact O-N 3.24Å; K1450-K1454 VanDerWaalsContact O-CD 3.28Å; K1450-K1454 WeakPolarHBondContact O-CD 3.41Å; K1450-K1454 WeakPolarHBondContact O-CE 3.38Å; K1450-K1454 PolarHBondContact O-NZ 3.47Å; K1450-L1490 HydrophobicContact CG-CD2 4.22Å; K1450-I1493 HydrophobicContact CD-CD1 4.32Å; K1450-I1493 VanDerWaalsContact CE-CD1 3.49Å |
| 1451 | T | 92.2 | Very high | 91 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -111.7 | -56.9 | -173 | -49 | 0 | 0 | 0 | 0 | 110 | F1447 F1453 K1454 | F1447-T1451 HydrophobicContact CD2-CG2 4.44Å; F1447-T1451 HydrophobicContact CE2-CG2 3.76Å; F1447-T1451 HydrophobicContact CZ-CG2 3.97Å; F1447-T1451 WeakPolarHBondContact O-CA 3.39Å; F1447-T1451 WeakPolarHBondContact O-CB 3.38Å; F1447-T1451 PolarHBondContact O-N 3.16Å; F1447-T1451 PolarHBondContact O-OG1 3.29Å; T1451-F1453 PolarHBondContact O-N 3.49Å; T1451-K1454 PolarHBondContact O-N 3.43Å |
| 1452 | V | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -65.7 | -40.7 | -173.2 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | Y1412 W1419 F1447 T1448 K1454 E1455 H1456 V1460 | Y1412-V1452 HydrophobicContact CD2-CB 4.46Å; Y1412-V1452 HydrophobicContact CD2-CG1 4.09Å; Y1412-V1452 HydrophobicContact CD2-CG2 3.87Å; Y1412-V1452 HydrophobicContact CG-CG2 3.87Å; W1419-V1452 HydrophobicContact CH2-CG1 4.29Å; W1419-V1452 HydrophobicContact CH2-CG2 4.41Å; W1419-V1452 HydrophobicContact CZ2-CG1 4.02Å; F1447-V1452 HydrophobicContact CD1-CG2 4.02Å; F1447-V1452 HydrophobicContact CE1-CG2 3.73Å; F1447-V1452 PolarHBondContact O-N 3.38Å; T1448-V1452 HydrophobicContact CG2-CB 4.17Å; T1448-V1452 HydrophobicContact CG2-CG2 4.45Å; T1448-V1452 WeakPolarHBondContact O-CA 3.49Å; T1448-V1452 VanDerWaalsContact O-CB 3.31Å; T1448-V1452 WeakPolarHBondContact O-CB 3.43Å; T1448-V1452 PolarHBondContact O-N 3.49Å; T1448-V1452 VanDerWaalsContact O-N 3.15Å; V1452-K1454 PolarHBondContact O-N 3.48Å; V1452-E1455 PolarHBondContact O-N 3.45Å; V1452-H1456 HydrophobicContact CG1-CB 4.1Å; V1452-H1456 CarbonylContact O-C 3.44Å; V1452-H1456 WeakPolarHBondContact O-CA 3.29Å; V1452-H1456 WeakPolarHBondContact O-CB 3.44Å; V1452-H1456 PolarHBondContact O-N 3.25Å; V1452-V1460 HydrophobicContact CG1-CG2 3.85Å |
| 1453 | F | 90.5 | Very high | 90 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -30.1 | 178.4 | -81.3 | 11.4 | 0 | 0 | 0 | 114 | T1448 V1449 T1451 L1457 V1460 F1464 L1467 T1497 | T1448-F1453 HydrophobicContact CG2-CE1 4.39Å; T1448-F1453 PolarHBondContact O-N 3.15Å; V1449-F1453 HydrophobicContact CG1-CD2 4.28Å; V1449-F1453 HydrophobicContact CG1-CE2 4.5Å; V1449-F1453 HydrophobicContact CG2-CE2 4.33Å; V1449-F1453 WeakPolarHBondContact O-CB 3.32Å; T1451-F1453 PolarHBondContact O-N 3.49Å; F1453-L1457 HydrophobicContact CB-CD1 4.4Å; F1453-L1457 HydrophobicContact CD1-CD1 3.97Å; F1453-L1457 HydrophobicContact CD2-CD1 4.22Å; F1453-L1457 HydrophobicContact CE1-CD1 4.17Å; F1453-L1457 HydrophobicContact CE2-CD1 4.42Å; F1453-L1457 HydrophobicContact CG-CD1 3.97Å; F1453-L1457 HydrophobicContact CZ-CD1 4.36Å; F1453-L1457 WeakPolarHBondContact O-CB 3.32Å; F1453-V1460 HydrophobicContact CE1-CB 4.03Å; F1453-V1460 HydrophobicContact CE1-CG1 3.82Å; F1453-V1460 HydrophobicContact CE1-CG2 4.47Å; F1453-F1464 HydrophobicContact CE2-CD2 4.34Å; F1453-F1464 HydrophobicContact CE2-CE2 4.13Å; F1453-F1464 AromaticContact CZ-CD2 3.97Å; F1453-F1464 HydrophobicContact CZ-CD2 3.97Å; F1453-F1464 HydrophobicContact CZ-CE2 4.22Å; F1453-L1467 HydrophobicContact CE1-CD2 3.9Å; F1453-L1467 HydrophobicContact CE2-CD2 4.14Å; F1453-L1467 HydrophobicContact CZ-CD2 3.32Å; F1453-T1497 HydrophobicContact CD2-CG2 4.01Å |
| 1454 | K | 85.5 | Confident | 89.8 | Confident | 171 Ų | 171 | 44 Ų | 44 | 74% | 0.743 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -69.1 | -38.6 | -178 | -69.4 | -179.9 | 178.7 | 168.1 | 0 | 112.7 | K1450 T1451 V1452 | K1450-K1454 VanDerWaalsContact O-CD 3.28Å; K1450-K1454 WeakPolarHBondContact O-CD 3.41Å; K1450-K1454 WeakPolarHBondContact O-CE 3.38Å; K1450-K1454 PolarHBondContact O-NZ 3.47Å; T1451-K1454 PolarHBondContact O-N 3.43Å; V1452-K1454 PolarHBondContact O-N 3.48Å |
| 1455 | E | 83.5 | Confident | 89.6 | Confident | 138 Ų | 138 | 48.3 Ų | 48.3 | 65% | 0.645 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -107.4 | -24.1 | -172.5 | -65.2 | -178.7 | 174.8 | 0 | 0 | 112.7 | V1452 | V1452-E1455 PolarHBondContact O-N 3.45Å |
| 1456 | H | 87.9 | Confident | 89.3 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -140.2 | 35.4 | -166.5 | -65.8 | -77.2 | 0 | 0 | 0 | 113.3 | Y1412 V1452 R1458 I1459 | Y1412-H1456 AromaticContact CE2-CD2 3.51Å; Y1412-H1456 AromaticContact CE2-NE2 3.85Å; V1452-H1456 HydrophobicContact CG1-CB 4.1Å; V1452-H1456 CarbonylContact O-C 3.44Å; V1452-H1456 WeakPolarHBondContact O-CA 3.29Å; V1452-H1456 WeakPolarHBondContact O-CB 3.44Å; V1452-H1456 PolarHBondContact O-N 3.25Å; H1456-R1458 VanDerWaalsContact C-N 3.27Å; H1456-R1458 PolarHBondContact O-N 2.67Å; H1456-I1459 HydrophobicContact CB-CD1 3.71Å; H1456-I1459 HydrophobicContact CB-CG1 3.81Å; H1456-I1459 WeakPolarHBondContact O-CG1 3.49Å; H1456-I1459 PolarHBondContact O-N 3.44Å |
| 1457 | L | 87.8 | Confident | 89.2 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55 | -40.3 | 178.3 | -176 | 61.6 | 0 | 0 | 0 | 113.5 | F1453 I1459 V1460 V1461 T1497 N1501 V1504 | F1453-L1457 HydrophobicContact CB-CD1 4.4Å; F1453-L1457 HydrophobicContact CD1-CD1 3.97Å; F1453-L1457 HydrophobicContact CD2-CD1 4.22Å; F1453-L1457 HydrophobicContact CE1-CD1 4.17Å; F1453-L1457 HydrophobicContact CE2-CD1 4.42Å; F1453-L1457 HydrophobicContact CG-CD1 3.97Å; F1453-L1457 HydrophobicContact CZ-CD1 4.36Å; F1453-L1457 WeakPolarHBondContact O-CB 3.32Å; L1457-I1459 PolarHBondContact O-N 3.26Å; L1457-I1459 VanDerWaalsContact O-N 3.1Å; L1457-V1460 PolarHBondContact O-N 2.98Å; L1457-V1461 PolarHBondContact O-N 3.37Å; L1457-V1461 VanDerWaalsContact O-N 3.15Å; L1457-T1497 HydrophobicContact CD1-CG2 3.65Å; L1457-T1497 HydrophobicContact CD2-CG2 3.53Å; L1457-T1497 HydrophobicContact CG-CG2 4.23Å; L1457-N1501 HydrophobicContact CD2-CB 3.58Å; L1457-V1504 HydrophobicContact CG-CG1 4.45Å |
| 1458 | R | 85.2 | Confident | 89 | Confident | 193 Ų | 193 | 45.7 Ų | 45.7 | 73% | 0.728 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -58.4 | -27.6 | -175.2 | -65.6 | -173.3 | -178.8 | -169.9 | -0 | 113.9 | H1456 V1461 V1504 | H1456-R1458 VanDerWaalsContact C-N 3.27Å; H1456-R1458 PolarHBondContact O-N 2.67Å; R1458-V1461 WeakPolarHBondContact O-CG1 3.17Å; R1458-V1504 HydrophobicContact CG-CG1 3.98Å; R1458-V1504 HydrophobicContact CG-CG2 4.27Å |
| 1459 | I | 85.3 | Confident | 88.8 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.138 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -88 | -16.1 | -177.3 | 61.1 | 163.2 | 0 | 0 | 0 | 112.6 | Y1412 I1415 R1416 W1419 H1456 L1457 | Y1412-I1459 VanDerWaalsContact O-CD1 3.25Å; Y1412-I1459 WeakPolarHBondContact O-CD1 3.47Å; I1415-I1459 WeakPolarHBondContact O-CD1 3.34Å; R1416-I1459 VanDerWaalsContact NH1-CD1 3.29Å; R1416-I1459 VanDerWaalsContact NH1-CG2 3.32Å; W1419-I1459 VanDerWaalsContact CD1-O 3.28Å; H1456-I1459 HydrophobicContact CB-CD1 3.71Å; H1456-I1459 HydrophobicContact CB-CG1 3.81Å; H1456-I1459 WeakPolarHBondContact O-CG1 3.49Å; H1456-I1459 PolarHBondContact O-N 3.44Å; L1457-I1459 PolarHBondContact O-N 3.26Å; L1457-I1459 VanDerWaalsContact O-N 3.1Å |
| 1460 | V | 87.4 | Confident | 88.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -102.5 | -14.9 | -179.3 | -164 | 0 | 0 | 0 | 0 | 112 | W1419 F1423 V1452 F1453 L1457 D1462 A1463 F1464 | W1419-V1460 HydrophobicContact CD2-CG1 4.2Å; W1419-V1460 HydrophobicContact CD2-CG2 4.21Å; W1419-V1460 HydrophobicContact CG-CG1 4.2Å; W1419-V1460 HydrophobicContact CG-CG2 4.43Å; W1419-V1460 HydrophobicContact CZ2-CG2 4.12Å; F1423-V1460 HydrophobicContact CE2-CG1 3.67Å; F1423-V1460 HydrophobicContact CZ-CG1 3.74Å; V1452-V1460 HydrophobicContact CG1-CG2 3.85Å; F1453-V1460 HydrophobicContact CE1-CB 4.03Å; F1453-V1460 HydrophobicContact CE1-CG1 3.82Å; F1453-V1460 HydrophobicContact CE1-CG2 4.47Å; L1457-V1460 PolarHBondContact O-N 2.98Å; V1460-D1462 VanDerWaalsContact C-N 3.29Å; V1460-D1462 PolarHBondContact O-N 3.12Å; V1460-A1463 CarbonylContact O-C 3.27Å; V1460-A1463 WeakPolarHBondContact O-CA 3.42Å; V1460-A1463 PolarHBondContact O-N 3.44Å; V1460-F1464 PolarHBondContact O-N 3.5Å; V1460-F1464 VanDerWaalsContact O-N 3.17Å |
| 1461 | V | 86.3 | Confident | 88.7 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -54.7 | -40 | -171.5 | 74.6 | 0 | 0 | 0 | 0 | 113.5 | L1457 R1458 A1463 F1464 V1504 F1505 | L1457-V1461 PolarHBondContact O-N 3.37Å; L1457-V1461 VanDerWaalsContact O-N 3.15Å; R1458-V1461 WeakPolarHBondContact O-CG1 3.17Å; V1461-A1463 PolarHBondContact O-N 3.27Å; V1461-F1464 WeakPolarHBondContact O-CB 3.41Å; V1461-F1464 PolarHBondContact O-N 2.85Å; V1461-F1464 VanDerWaalsContact O-N 3.15Å; V1461-V1504 HydrophobicContact CB-CG1 4.28Å; V1461-V1504 HydrophobicContact CG2-CG1 4.15Å; V1461-F1505 HydrophobicContact CG2-CD1 3.69Å; V1461-F1505 HydrophobicContact CG2-CE1 3.63Å; V1461-F1505 HydrophobicContact CG2-CG 4.18Å; V1461-F1505 HydrophobicContact CG2-CZ 4.06Å |
| 1462 | D | 82.5 | Confident | 88.5 | Confident | 99 Ų | 99 | 43 Ų | 43 | 53% | 0.529 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -68 | -20.9 | 179 | -67.1 | -34.9 | 0 | 0 | 0 | 113 | V1460 R1544 | V1460-D1462 VanDerWaalsContact C-N 3.29Å; V1460-D1462 PolarHBondContact O-N 3.12Å; D1462-R1544 IonicContact OD1-CZ 2.69Å; D1462-R1544 IonicContact OD1-NH1 3.61Å; D1462-R1544 IonicContact OD1-NH2 3.73Å; D1462-R1544 PolarHBondContact OD1-NH2 3.3Å |
| 1463 | A | 88 | Confident | 88.3 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -105.7 | 11.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | W1419 F1423 V1460 V1461 Q1465 P1466 L1467 | W1419-A1463 HydrophobicContact CB-CB 3.41Å; W1419-A1463 VanDerWaalsContact CB-CB 3.41Å; F1423-A1463 HydrophobicContact CD2-CB 3.82Å; F1423-A1463 VanDerWaalsContact CD2-O 3.22Å; F1423-A1463 WeakPolarHBondContact CD2-O 3.37Å; F1423-A1463 HydrophobicContact CE2-CB 3.78Å; F1423-A1463 WeakPolarHBondContact CE2-O 3.45Å; V1460-A1463 CarbonylContact O-C 3.27Å; V1460-A1463 WeakPolarHBondContact O-CA 3.42Å; V1460-A1463 PolarHBondContact O-N 3.44Å; V1461-A1463 PolarHBondContact O-N 3.27Å; A1463-Q1465 PolarHBondContact O-N 3.5Å; A1463-P1466 WeakPolarHBondContact O-CD 3.39Å; A1463-L1467 PolarHBondContact O-N 3.26Å |
| 1464 | F | 90.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | -178.7 | -178.7 | -99.8 | 0 | 0 | 0 | 112.7 | F1453 V1460 V1461 L1467 V1468 C1494 V1498 F1505 R1544 V1549 | F1453-F1464 HydrophobicContact CE2-CD2 4.34Å; F1453-F1464 HydrophobicContact CE2-CE2 4.13Å; F1453-F1464 AromaticContact CZ-CD2 3.97Å; F1453-F1464 HydrophobicContact CZ-CD2 3.97Å; F1453-F1464 HydrophobicContact CZ-CE2 4.22Å; V1460-F1464 PolarHBondContact O-N 3.5Å; V1460-F1464 VanDerWaalsContact O-N 3.17Å; V1461-F1464 WeakPolarHBondContact O-CB 3.41Å; V1461-F1464 PolarHBondContact O-N 2.85Å; V1461-F1464 VanDerWaalsContact O-N 3.15Å; F1464-L1467 WeakPolarHBondContact O-CB 3.13Å; F1464-L1467 PolarHBondContact O-N 3.04Å; F1464-V1468 HydrophobicContact CD1-CG2 4.13Å; F1464-V1468 HydrophobicContact CE1-CG2 3.76Å; F1464-V1468 HydrophobicContact CE2-CG2 4.26Å; F1464-V1468 HydrophobicContact CZ-CG2 3.84Å; F1464-V1468 WeakPolarHBondContact O-CG2 3.3Å; F1464-V1468 PolarHBondContact O-N 3.38Å; F1464-C1494 HydrophobicContact CE2-CB 3.82Å; F1464-C1494 HydrophobicContact CZ-CB 3.8Å; F1464-V1498 HydrophobicContact CE1-CG2 3.86Å; F1464-V1498 HydrophobicContact CE2-CG2 4.21Å; F1464-V1498 HydrophobicContact CZ-CG2 3.47Å; F1464-V1498 VanDerWaalsContact CZ-CG2 3.47Å; F1464-F1505 HydrophobicContact CB-CE1 4.41Å; F1464-F1505 HydrophobicContact CD1-CE1 4.04Å; F1464-F1505 HydrophobicContact CD2-CE1 4.36Å; F1464-F1505 HydrophobicContact CD2-CZ 4.2Å; F1464-F1505 HydrophobicContact CE1-CE1 4.37Å; F1464-F1505 HydrophobicContact CE2-CZ 4.28Å; F1464-F1505 HydrophobicContact CG-CE1 4.03Å; F1464-F1505 HydrophobicContact CG-CZ 4.33Å; F1464-F1505 HydrophobicContact CZ-CZ 4.49Å; F1464-R1544 WeakPolarHBondContact CD1-O 3.38Å; F1464-V1549 HydrophobicContact CE1-CG2 3.8Å; F1464-V1549 HydrophobicContact CZ-CG2 3.75Å |
| 1465 | Q | 89.2 | Confident | 88.5 | Confident | 92 Ų | 92 | 36 Ų | 36 | 43% | 0.43 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.4 | -48.4 | 178.8 | 177.5 | -174.5 | 19.8 | 0 | 0 | 112.8 | A1463 L1467 V1468 K1469 P1548 | A1463-Q1465 PolarHBondContact O-N 3.5Å; Q1465-L1467 VanDerWaalsContact C-N 3.28Å; Q1465-L1467 PolarHBondContact O-N 3.02Å; Q1465-V1468 PolarHBondContact O-N 2.82Å; Q1465-K1469 HydrophobicContact CG-CD 4.37Å; Q1465-K1469 WeakPolarHBondContact O-CG 3.29Å; Q1465-K1469 PolarHBondContact O-N 3.44Å; Q1465-P1548 HydrophobicContact CB-CB 4.15Å; Q1465-P1548 HydrophobicContact CB-CG 4Å; Q1465-P1548 HydrophobicContact CG-CB 4.08Å; Q1465-P1548 HydrophobicContact CG-CG 4.06Å |
| 1466 | P | 88.6 | Confident | 88.5 | Confident | 29 Ų | 29 | 30.8 Ų | 30.8 | 19% | 0.188 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -52.7 | -40 | 170.1 | -28.9 | 32.4 | 0 | 0 | 0 | 114.5 | T1420 F1423 A1463 K1469 A1470 | T1420-P1466 HydrophobicContact CG2-CG 4.17Å; F1423-P1466 HydrophobicContact CB-CB 3.75Å; F1423-P1466 HydrophobicContact CD2-CB 4.26Å; F1423-P1466 HydrophobicContact CG-CB 4.5Å; A1463-P1466 WeakPolarHBondContact O-CD 3.39Å; P1466-K1469 WeakPolarHBondContact O-CB 3.33Å; P1466-K1469 PolarHBondContact O-N 3.21Å; P1466-A1470 WeakPolarHBondContact O-CB 3.33Å; P1466-A1470 PolarHBondContact O-N 3.14Å |
| 1467 | L | 93.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.4 | -49 | 176 | 169.8 | 65.8 | 0 | 0 | 0 | 112.2 | F1423 C1445 V1449 F1453 A1463 F1464 Q1465 K1469 A1470 L1471 | F1423-L1467 HydrophobicContact CD1-CB 4.05Å; F1423-L1467 HydrophobicContact CD1-CD1 3.85Å; F1423-L1467 HydrophobicContact CD2-CB 3.68Å; F1423-L1467 HydrophobicContact CE1-CB 4.09Å; F1423-L1467 HydrophobicContact CE1-CD1 3.61Å; F1423-L1467 HydrophobicContact CE1-CG 4.28Å; F1423-L1467 HydrophobicContact CE2-CB 3.69Å; F1423-L1467 HydrophobicContact CG-CB 3.88Å; F1423-L1467 HydrophobicContact CZ-CB 3.9Å; F1423-L1467 HydrophobicContact CZ-CD1 4.06Å; F1423-L1467 HydrophobicContact CZ-CD2 4.19Å; F1423-L1467 HydrophobicContact CZ-CG 4.27Å; C1445-L1467 HydrophobicContact CB-CD1 4.41Å; V1449-L1467 HydrophobicContact CG2-CD1 4.34Å; V1449-L1467 HydrophobicContact CG2-CD2 3.96Å; F1453-L1467 HydrophobicContact CE1-CD2 3.9Å; F1453-L1467 HydrophobicContact CE2-CD2 4.14Å; F1453-L1467 HydrophobicContact CZ-CD2 3.32Å; A1463-L1467 PolarHBondContact O-N 3.26Å; F1464-L1467 WeakPolarHBondContact O-CB 3.13Å; F1464-L1467 PolarHBondContact O-N 3.04Å; Q1465-L1467 VanDerWaalsContact C-N 3.28Å; Q1465-L1467 PolarHBondContact O-N 3.02Å; L1467-K1469 VanDerWaalsContact C-N 3.26Å; L1467-K1469 PolarHBondContact O-N 3.31Å; L1467-A1470 WeakPolarHBondContact O-CB 3.4Å; L1467-A1470 PolarHBondContact O-N 3.38Å; L1467-A1470 VanDerWaalsContact O-N 3.13Å; L1467-L1471 HydrophobicContact CD1-CD1 4.22Å; L1467-L1471 HydrophobicContact CD1-CG 4.18Å; L1467-L1471 HydrophobicContact CG-CD1 4.22Å; L1467-L1471 WeakPolarHBondContact O-CG 3.09Å; L1467-L1471 PolarHBondContact O-N 3.28Å |
| 1468 | V | 92 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -37.9 | -179.6 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | F1464 Q1465 L1471 A1472 V1549 E1552 | F1464-V1468 HydrophobicContact CD1-CG2 4.13Å; F1464-V1468 HydrophobicContact CE1-CG2 3.76Å; F1464-V1468 HydrophobicContact CE2-CG2 4.26Å; F1464-V1468 HydrophobicContact CZ-CG2 3.84Å; F1464-V1468 WeakPolarHBondContact O-CG2 3.3Å; F1464-V1468 PolarHBondContact O-N 3.38Å; Q1465-V1468 PolarHBondContact O-N 2.82Å; V1468-L1471 PolarHBondContact O-N 3.39Å; V1468-A1472 WeakPolarHBondContact O-CB 3.45Å; V1468-A1472 PolarHBondContact O-N 3.04Å; V1468-V1549 HydrophobicContact CG2-CG2 4.28Å; V1468-E1552 HydrophobicContact CG1-CB 3.7Å; V1468-E1552 HydrophobicContact CG1-CG 3.85Å |
| 1469 | K | 89.4 | Confident | 87.6 | Confident | 56 Ų | 56 | 29 Ų | 29 | 24% | 0.243 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 171.6 | -78.2 | 177.1 | 175.5 | -177.6 | 0 | 112.5 | Q1465 P1466 L1467 A1472 E1473 E1552 | Q1465-K1469 HydrophobicContact CG-CD 4.37Å; Q1465-K1469 WeakPolarHBondContact O-CG 3.29Å; Q1465-K1469 PolarHBondContact O-N 3.44Å; P1466-K1469 WeakPolarHBondContact O-CB 3.33Å; P1466-K1469 PolarHBondContact O-N 3.21Å; L1467-K1469 VanDerWaalsContact C-N 3.26Å; L1467-K1469 PolarHBondContact O-N 3.31Å; K1469-A1472 PolarHBondContact O-N 3.37Å; K1469-E1473 PolarHBondContact O-N 2.81Å; K1469-E1552 HydrophobicContact CG-CG 4.1Å; K1469-E1552 WeakPolarHBondContact CG-OE1 3.43Å |
| 1470 | A | 90.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H1427 P1466 L1467 A1472 E1473 F1474 | H1427-A1470 HydrophobicContact CB-CB 3.92Å; P1466-A1470 WeakPolarHBondContact O-CB 3.33Å; P1466-A1470 PolarHBondContact O-N 3.14Å; L1467-A1470 WeakPolarHBondContact O-CB 3.4Å; L1467-A1470 PolarHBondContact O-N 3.38Å; L1467-A1470 VanDerWaalsContact O-N 3.13Å; A1470-A1472 VanDerWaalsContact C-N 3.33Å; A1470-A1472 PolarHBondContact O-N 2.97Å; A1470-E1473 WeakPolarHBondContact O-CB 3.19Å; A1470-E1473 PolarHBondContact O-N 3.37Å; A1470-F1474 WeakPolarHBondContact O-CD2 3.38Å; A1470-F1474 PolarHBondContact O-N 3.34Å |
| 1471 | L | 93.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.3 | -45 | 175.7 | -71.8 | 173.8 | 0 | 0 | 0 | 111.7 | F1442 C1445 V1449 L1467 V1468 E1473 F1474 A1475 S1487 L1490 I1491 | F1442-L1471 HydrophobicContact CE2-CD2 4.38Å; C1445-L1471 HydrophobicContact CB-CD2 3.88Å; V1449-L1471 HydrophobicContact CG2-CD1 4.21Å; L1467-L1471 HydrophobicContact CD1-CD1 4.22Å; L1467-L1471 HydrophobicContact CD1-CG 4.18Å; L1467-L1471 HydrophobicContact CG-CD1 4.22Å; L1467-L1471 WeakPolarHBondContact O-CG 3.09Å; L1467-L1471 PolarHBondContact O-N 3.28Å; V1468-L1471 PolarHBondContact O-N 3.39Å; L1471-E1473 PolarHBondContact O-N 2.58Å; L1471-F1474 WeakPolarHBondContact O-CB 3.46Å; L1471-F1474 PolarHBondContact O-N 2.74Å; L1471-A1475 PolarHBondContact O-N 3.41Å; L1471-S1487 VanDerWaalsContact CA-OG 3.31Å; L1471-S1487 WeakPolarHBondContact CA-OG 3.26Å; L1471-S1487 WeakPolarHBondContact CB-OG 3.4Å; L1471-S1487 PolarHBondContact O-OG 2.88Å; L1471-L1490 HydrophobicContact CD1-CB 4.11Å; L1471-L1490 HydrophobicContact CD2-CB 4.09Å; L1471-L1490 HydrophobicContact CD2-CD1 3.84Å; L1471-I1491 HydrophobicContact CB-CD1 4.03Å; L1471-I1491 HydrophobicContact CB-CG1 3.74Å; L1471-I1491 HydrophobicContact CD1-CG1 4Å |
| 1472 | A | 88.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.2 | -31.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1468 K1469 A1470 A1475 C1476 I1491 E1552 R1555 I1556 | V1468-A1472 WeakPolarHBondContact O-CB 3.45Å; V1468-A1472 PolarHBondContact O-N 3.04Å; K1469-A1472 PolarHBondContact O-N 3.37Å; A1470-A1472 VanDerWaalsContact C-N 3.33Å; A1470-A1472 PolarHBondContact O-N 2.97Å; A1472-A1475 WeakPolarHBondContact O-CB 3.45Å; A1472-A1475 PolarHBondContact O-N 3.13Å; A1472-C1476 PolarHBondContact O-N 3Å; A1472-C1476 PolarHBondContact O-SG 3.39Å; A1472-I1491 HydrophobicContact CB-CD1 4.32Å; A1472-E1552 HydrophobicContact CB-CB 3.77Å; A1472-E1552 HydrophobicContact CB-CG 4.39Å; A1472-E1552 WeakPolarHBondContact CB-OE2 3.49Å; A1472-R1555 VanDerWaalsContact CB-NH2 3.29Å; A1472-I1556 HydrophobicContact CB-CD1 3.9Å; A1472-I1556 HydrophobicContact CB-CG1 4Å |
| 1473 | E | 88.7 | Confident | 87.8 | Confident | 31 Ų | 31 | 32.2 Ų | 32.2 | 15% | 0.145 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -39.7 | 173.9 | -161.2 | 58.7 | -153.8 | 0 | 0 | 112.2 | A1430 K1469 A1470 L1471 A1475 C1476 N1477 R1555 | A1430-E1473 HydrophobicContact CB-CB 3.7Å; A1430-E1473 HydrophobicContact CB-CG 3.7Å; K1469-E1473 PolarHBondContact O-N 2.81Å; A1470-E1473 WeakPolarHBondContact O-CB 3.19Å; A1470-E1473 PolarHBondContact O-N 3.37Å; L1471-E1473 PolarHBondContact O-N 2.58Å; E1473-A1475 VanDerWaalsContact C-N 3.28Å; E1473-A1475 PolarHBondContact O-N 2.94Å; E1473-C1476 PolarHBondContact O-N 3.26Å; E1473-C1476 VanDerWaalsContact O-N 3.16Å; E1473-N1477 PolarHBondContact O-N 3.23Å; E1473-R1555 IonicContact OE2-CZ 3.7Å; E1473-R1555 IonicContact OE2-NH1 3.08Å; E1473-R1555 PolarHBondContact OE2-NH1 2.88Å; E1473-R1555 IonicContact OE2-NH2 2.63Å; E1473-R1555 PolarHBondContact OE2-NH2 3.01Å |
| 1474 | F | 91.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -37.8 | 170.1 | -73.3 | -73.1 | 0 | 0 | 0 | 112 | A1430 V1438 A1441 F1442 A1470 L1471 C1476 N1477 T1483 | A1430-F1474 HydrophobicContact CB-CD1 3.75Å; A1430-F1474 HydrophobicContact CB-CD2 3.85Å; A1430-F1474 HydrophobicContact CB-CE1 3.76Å; A1430-F1474 HydrophobicContact CB-CE2 3.83Å; A1430-F1474 HydrophobicContact CB-CG 3.79Å; A1430-F1474 HydrophobicContact CB-CZ 3.78Å; V1438-F1474 HydrophobicContact CG1-CD1 4.06Å; V1438-F1474 HydrophobicContact CG1-CE1 3.97Å; A1441-F1474 HydrophobicContact CB-CE1 4.19Å; A1441-F1474 HydrophobicContact CB-CZ 3.73Å; F1442-F1474 HydrophobicContact CB-CD1 4.13Å; F1442-F1474 HydrophobicContact CB-CE1 3.92Å; F1442-F1474 HydrophobicContact CB-CZ 4.3Å; F1442-F1474 HydrophobicContact CD2-CB 4.02Å; F1442-F1474 AromaticContact CD2-CD1 3.99Å; F1442-F1474 HydrophobicContact CD2-CD1 3.99Å; F1442-F1474 HydrophobicContact CD2-CD2 4.01Å; F1442-F1474 HydrophobicContact CD2-CE1 4.47Å; F1442-F1474 AromaticContact CD2-CG 3.75Å; F1442-F1474 HydrophobicContact CD2-CG 3.75Å; F1442-F1474 HydrophobicContact CE2-CB 4.34Å; F1442-F1474 HydrophobicContact CE2-CG 4.49Å; A1470-F1474 WeakPolarHBondContact O-CD2 3.38Å; A1470-F1474 PolarHBondContact O-N 3.34Å; L1471-F1474 WeakPolarHBondContact O-CB 3.46Å; L1471-F1474 PolarHBondContact O-N 2.74Å; F1474-C1476 VanDerWaalsContact C-N 3.3Å; F1474-C1476 PolarHBondContact O-N 2.89Å; F1474-N1477 PolarHBondContact O-N 3.19Å; F1474-T1483 HydrophobicContact CD1-CG2 4.35Å |
| 1475 | A | 88.9 | Confident | 87.9 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 3% | 0.025 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.1 | -30.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1471 A1472 E1473 A1484 I1488 I1556 | L1471-A1475 PolarHBondContact O-N 3.41Å; A1472-A1475 WeakPolarHBondContact O-CB 3.45Å; A1472-A1475 PolarHBondContact O-N 3.13Å; E1473-A1475 VanDerWaalsContact C-N 3.28Å; E1473-A1475 PolarHBondContact O-N 2.94Å; A1475-A1484 WeakPolarHBondContact O-CB 3.34Å; A1475-I1488 HydrophobicContact CB-CG1 4.02Å; A1475-I1556 HydrophobicContact CB-CD1 3.53Å; A1475-I1556 HydrophobicContact CB-CG1 3.84Å; A1475-I1556 HydrophobicContact CB-CG2 4.29Å |
| 1476 | C | 82.8 | Confident | 88.1 | Confident | 29 Ų | 29 | 32.6 Ų | 32.6 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -82.1 | -8.9 | 177.9 | -69 | 0 | 0 | 0 | 0 | 113.6 | A1472 E1473 F1474 P1478 | A1472-C1476 PolarHBondContact O-N 3Å; A1472-C1476 PolarHBondContact O-SG 3.39Å; E1473-C1476 PolarHBondContact O-N 3.26Å; E1473-C1476 VanDerWaalsContact O-N 3.16Å; F1474-C1476 VanDerWaalsContact C-N 3.3Å; F1474-C1476 PolarHBondContact O-N 2.89Å; C1476-P1478 VanDerWaalsContact O-CD 3.24Å; C1476-P1478 WeakPolarHBondContact O-CD 3.44Å |
| 1477 | N | 83.7 | Confident | 88.4 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 5% | 0.053 | 16% | 0.157 | C | C | . | . | trans | -75.5 | 110.9 | 179.8 | -169.6 | -31.3 | 0 | 0 | 0 | 111.3 | A1430 S1432 E1473 F1474 R1479 | A1430-N1477 PolarHBondContact O-ND2 3.25Å; S1432-N1477 PolarHBondContact O-ND2 2.72Å; S1432-N1477 VanDerWaalsContact O-ND2 3.09Å; E1473-N1477 PolarHBondContact O-N 3.23Å; F1474-N1477 PolarHBondContact O-N 3.19Å; N1477-R1479 PolarHBondContact O-N 3.34Å; N1477-R1479 WeakPolarHBondContact OD1-CB 3.48Å; N1477-R1479 PolarHBondContact OD1-N 3.47Å; N1477-R1479 VanDerWaalsContact OD1-N 3.15Å | ||
| 1478 | P | 77.1 | Confident | 88.3 | Confident | 65 Ų | 65 | 31.2 Ų | 31.2 | 42% | 0.422 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.1 | -171.4 | 29.7 | -35.8 | 0 | 0 | 0 | 113.9 | C1476 K1586 | C1476-P1478 VanDerWaalsContact O-CD 3.24Å; C1476-P1478 WeakPolarHBondContact O-CD 3.44Å; P1478-K1586 PolarHBondContact O-NZ 3.3Å |
| 1479 | R | 79.9 | Confident | 88.5 | Confident | 150 Ų | 150 | 34.9 Ų | 34.9 | 57% | 0.566 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -26.4 | -175.6 | -169.8 | 169.4 | 179.8 | 140.9 | -3 | 112.6 | L1433 N1477 P1481 | L1433-R1479 PolarHBondContact O-NE 2.84Å; N1477-R1479 PolarHBondContact O-N 3.34Å; N1477-R1479 WeakPolarHBondContact OD1-CB 3.48Å; N1477-R1479 PolarHBondContact OD1-N 3.47Å; N1477-R1479 VanDerWaalsContact OD1-N 3.15Å; R1479-P1481 WeakPolarHBondContact O-CD 3.46Å |
| 1480 | F | 86.7 | Confident | 88.8 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | trans | -125.1 | 72.5 | -172.4 | -51.1 | -69.6 | 0 | 0 | 0 | 111.5 | E1435 V1438 D1482 T1483 A1484 | E1435-F1480 HydrophobicContact CB-CE1 3.65Å; E1435-F1480 HydrophobicContact CB-CZ 3.95Å; E1435-F1480 HydrophobicContact CG-CD1 4.44Å; E1435-F1480 HydrophobicContact CG-CE1 3.75Å; E1435-F1480 HydrophobicContact CG-CZ 4.49Å; V1438-F1480 HydrophobicContact CB-CD2 4.36Å; V1438-F1480 HydrophobicContact CB-CE2 4.12Å; V1438-F1480 HydrophobicContact CG1-CD2 3.82Å; V1438-F1480 HydrophobicContact CG1-CE2 4.08Å; V1438-F1480 HydrophobicContact CG1-CG 4.41Å; V1438-F1480 HydrophobicContact CG2-CD2 4.43Å; V1438-F1480 HydrophobicContact CG2-CE2 3.92Å; F1480-D1482 VanDerWaalsContact C-N 3.34Å; F1480-D1482 PolarHBondContact O-N 2.87Å; F1480-T1483 WeakPolarHBondContact O-CB 3.39Å; F1480-T1483 PolarHBondContact O-N 3.4Å; F1480-A1484 PolarHBondContact O-N 3.19Å | ||
| 1481 | P | 83.7 | Confident | 89 | Confident | 36 Ų | 36 | 32.2 Ų | 32.2 | 23% | 0.234 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.9 | -31.6 | -173.7 | 27.4 | -35.3 | 0 | 0 | 0 | 113.7 | R1479 A1484 M1485 | R1479-P1481 WeakPolarHBondContact O-CD 3.46Å; P1481-A1484 WeakPolarHBondContact O-CB 3.46Å; P1481-A1484 PolarHBondContact O-N 3.2Å; P1481-M1485 WeakPolarHBondContact O-CG 3.5Å; P1481-M1485 PolarHBondContact O-N 3.19Å |
| 1482 | D | 85.7 | Confident | 89 | Confident | 135 Ų | 135 | 37.1 Ų | 37.1 | 72% | 0.722 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -66.2 | -45.9 | 177.2 | -64.5 | -36.1 | 0 | 0 | 0 | 110.7 | F1480 A1484 M1485 E1486 | F1480-D1482 VanDerWaalsContact C-N 3.34Å; F1480-D1482 PolarHBondContact O-N 2.87Å; D1482-A1484 VanDerWaalsContact C-N 3.28Å; D1482-A1484 PolarHBondContact O-N 3.25Å; D1482-M1485 PolarHBondContact O-N 3.42Å; D1482-E1486 WeakPolarHBondContact O-CB 3.33Å; D1482-E1486 PolarHBondContact O-N 3.41Å |
| 1483 | T | 90.4 | Very high | 89.2 | Confident | 18 Ų | 18 | 38.9 Ų | 38.9 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58 | -41.1 | 171.1 | -49.3 | 0 | 0 | 0 | 0 | 111.1 | F1442 F1474 F1480 E1486 S1487 | F1442-T1483 HydrophobicContact CB-CG2 3.84Å; F1442-T1483 HydrophobicContact CD1-CG2 3.67Å; F1442-T1483 HydrophobicContact CD2-CG2 3.5Å; F1442-T1483 HydrophobicContact CE1-CG2 4.05Å; F1442-T1483 HydrophobicContact CE2-CG2 3.93Å; F1442-T1483 HydrophobicContact CG-CG2 3.36Å; F1442-T1483 HydrophobicContact CZ-CG2 4.17Å; F1474-T1483 HydrophobicContact CD1-CG2 4.35Å; F1480-T1483 WeakPolarHBondContact O-CB 3.39Å; F1480-T1483 PolarHBondContact O-N 3.4Å; T1483-E1486 PolarHBondContact O-N 3.31Å; T1483-S1487 VanDerWaalsContact O-CB 3.31Å; T1483-S1487 WeakPolarHBondContact O-CB 3.44Å; T1483-S1487 PolarHBondContact O-N 3.37Å |
| 1484 | A | 89.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A1475 F1480 P1481 D1482 E1486 S1487 I1488 V1589 | A1475-A1484 WeakPolarHBondContact O-CB 3.34Å; F1480-A1484 PolarHBondContact O-N 3.19Å; P1481-A1484 WeakPolarHBondContact O-CB 3.46Å; P1481-A1484 PolarHBondContact O-N 3.2Å; D1482-A1484 VanDerWaalsContact C-N 3.28Å; D1482-A1484 PolarHBondContact O-N 3.25Å; A1484-E1486 VanDerWaalsContact C-N 3.34Å; A1484-S1487 WeakPolarHBondContact O-CB 3.35Å; A1484-S1487 PolarHBondContact O-N 3.41Å; A1484-I1488 WeakPolarHBondContact O-CG1 3.38Å; A1484-I1488 PolarHBondContact O-N 2.91Å; A1484-V1589 HydrophobicContact CB-CG1 4.37Å; A1484-V1589 HydrophobicContact CB-CG2 4.12Å |
| 1485 | M | 91 | Very high | 89.5 | Confident | 50 Ų | 50 | 37.4 Ų | 37.4 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.5 | -74.2 | -64.2 | -152.7 | 0 | 0 | 112 | P1481 D1482 S1487 I1488 R1489 D1588 R1592 | P1481-M1485 WeakPolarHBondContact O-CG 3.5Å; P1481-M1485 PolarHBondContact O-N 3.19Å; D1482-M1485 PolarHBondContact O-N 3.42Å; M1485-S1487 VanDerWaalsContact C-N 3.34Å; M1485-I1488 PolarHBondContact O-N 3.48Å; M1485-R1489 PolarHBondContact O-N 3.05Å; M1485-R1489 VanDerWaalsContact O-N 3.12Å; M1485-D1588 HydrophobicContact CE-CB 3.7Å; M1485-R1592 HydrophobicContact CE-CB 4.23Å; M1485-R1592 HydrophobicContact SD-CB 3.73Å; M1485-R1592 HydrophobicContact SD-CG 3.79Å |
| 1486 | E | 93.9 | Very high | 89.7 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.3 | -36 | 177.4 | -173.8 | 49.8 | -148.9 | 0 | 0 | 111.4 | F1442 H1446 D1482 T1483 A1484 R1489 L1490 | F1442-E1486 HydrophobicContact CE1-CB 4.04Å; F1442-E1486 HydrophobicContact CE1-CG 3.7Å; F1442-E1486 HydrophobicContact CZ-CB 3.85Å; F1442-E1486 HydrophobicContact CZ-CG 3.73Å; H1446-E1486 IonicContact CD2-OE1 3.6Å; D1482-E1486 WeakPolarHBondContact O-CB 3.33Å; D1482-E1486 PolarHBondContact O-N 3.41Å; T1483-E1486 PolarHBondContact O-N 3.31Å; A1484-E1486 VanDerWaalsContact C-N 3.34Å; E1486-R1489 CarbonylContact O-C 3.49Å; E1486-R1489 WeakPolarHBondContact O-CA 3.47Å; E1486-R1489 VanDerWaalsContact O-CB 3.28Å; E1486-R1489 WeakPolarHBondContact O-CB 3.46Å; E1486-R1489 PolarHBondContact O-N 2.97Å; E1486-R1489 VanDerWaalsContact O-N 3.13Å; E1486-R1489 IonicContact OE1-CZ 2.57Å; E1486-R1489 IonicContact OE1-NE 3.63Å; E1486-R1489 PolarHBondContact OE1-NE 2.76Å; E1486-R1489 IonicContact OE1-NH2 3.51Å; E1486-R1489 PolarHBondContact OE1-NH2 3.16Å; E1486-R1489 WeakPolarHBondContact OE2-CD 3.3Å; E1486-R1489 IonicContact OE2-CZ 2.81Å; E1486-R1489 IonicContact OE2-NE 3.46Å; E1486-R1489 PolarHBondContact OE2-NE 3.34Å; E1486-L1490 WeakPolarHBondContact O-CG 3.48Å; E1486-L1490 PolarHBondContact O-N 2.89Å |
| 1487 | S | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 173.8 | -164.6 | 0 | 0 | 0 | 0 | 112.3 | L1471 T1483 A1484 M1485 R1489 L1490 I1491 | L1471-S1487 VanDerWaalsContact CA-OG 3.31Å; L1471-S1487 WeakPolarHBondContact CA-OG 3.26Å; L1471-S1487 WeakPolarHBondContact CB-OG 3.4Å; L1471-S1487 PolarHBondContact O-OG 2.88Å; T1483-S1487 VanDerWaalsContact O-CB 3.31Å; T1483-S1487 WeakPolarHBondContact O-CB 3.44Å; T1483-S1487 PolarHBondContact O-N 3.37Å; A1484-S1487 WeakPolarHBondContact O-CB 3.35Å; A1484-S1487 PolarHBondContact O-N 3.41Å; M1485-S1487 VanDerWaalsContact C-N 3.34Å; S1487-R1489 PolarHBondContact O-N 3.24Å; S1487-L1490 WeakPolarHBondContact O-CA 3.09Å; S1487-L1490 WeakPolarHBondContact O-CB 3.26Å; S1487-L1490 PolarHBondContact O-N 2.82Å; S1487-I1491 WeakPolarHBondContact O-CG1 3.41Å; S1487-I1491 PolarHBondContact O-N 3.3Å |
| 1488 | I | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -37.9 | 174.2 | -67.5 | 165.8 | 0 | 0 | 0 | 110.8 | A1475 A1484 M1485 I1491 R1492 L1553 I1556 V1589 R1592 V1596 | A1475-I1488 HydrophobicContact CB-CG1 4.02Å; A1484-I1488 WeakPolarHBondContact O-CG1 3.38Å; A1484-I1488 PolarHBondContact O-N 2.91Å; M1485-I1488 PolarHBondContact O-N 3.48Å; I1488-I1491 PolarHBondContact O-N 2.98Å; I1488-R1492 PolarHBondContact O-N 3.4Å; I1488-L1553 HydrophobicContact CG2-CD2 4.49Å; I1488-I1556 HydrophobicContact CD1-CG2 4.25Å; I1488-I1556 HydrophobicContact CG1-CD1 4.26Å; I1488-V1589 HydrophobicContact CD1-CG1 3.66Å; I1488-V1589 WeakPolarHBondContact CD1-O 3.4Å; I1488-R1592 HydrophobicContact CD1-CB 4.4Å; I1488-R1592 HydrophobicContact CD1-CG 4.49Å; I1488-R1592 HydrophobicContact CG2-CG 4.09Å; I1488-V1596 HydrophobicContact CG2-CB 4.06Å; I1488-V1596 HydrophobicContact CG2-CG1 4.34Å; I1488-V1596 HydrophobicContact CG2-CG2 3.8Å |
| 1489 | R | 94.7 | Very high | 90.9 | Very high | 77 Ų | 77 | 35 Ų | 35 | 29% | 0.291 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 174.9 | -166 | -162.2 | 72.9 | 108.7 | -7.6 | 111.8 | M1485 E1486 S1487 R1492 I1493 | M1485-R1489 PolarHBondContact O-N 3.05Å; M1485-R1489 VanDerWaalsContact O-N 3.12Å; E1486-R1489 CarbonylContact O-C 3.49Å; E1486-R1489 WeakPolarHBondContact O-CA 3.47Å; E1486-R1489 VanDerWaalsContact O-CB 3.28Å; E1486-R1489 WeakPolarHBondContact O-CB 3.46Å; E1486-R1489 PolarHBondContact O-N 2.97Å; E1486-R1489 VanDerWaalsContact O-N 3.13Å; E1486-R1489 IonicContact OE1-CZ 2.57Å; E1486-R1489 IonicContact OE1-NE 3.63Å; E1486-R1489 PolarHBondContact OE1-NE 2.76Å; E1486-R1489 IonicContact OE1-NH2 3.51Å; E1486-R1489 PolarHBondContact OE1-NH2 3.16Å; E1486-R1489 WeakPolarHBondContact OE2-CD 3.3Å; E1486-R1489 IonicContact OE2-CZ 2.81Å; E1486-R1489 IonicContact OE2-NE 3.46Å; E1486-R1489 PolarHBondContact OE2-NE 3.34Å; S1487-R1489 PolarHBondContact O-N 3.24Å; R1489-R1492 WeakPolarHBondContact O-CB 3.12Å; R1489-R1492 PolarHBondContact O-N 2.63Å; R1489-I1493 WeakPolarHBondContact O-CD1 3.09Å; R1489-I1493 WeakPolarHBondContact O-CG1 3.41Å; R1489-I1493 PolarHBondContact O-N 3.42Å |
| 1490 | L | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -40.1 | 174 | -66.8 | -179.9 | 0 | 0 | 0 | 112 | F1442 H1446 V1449 K1450 L1471 E1486 S1487 R1492 I1493 C1494 | F1442-L1490 HydrophobicContact CE2-CD1 4.19Å; F1442-L1490 HydrophobicContact CZ-CD1 3.88Å; H1446-L1490 HydrophobicContact CB-CD1 4.06Å; V1449-L1490 HydrophobicContact CB-CD2 4.14Å; V1449-L1490 HydrophobicContact CG1-CB 4.35Å; V1449-L1490 HydrophobicContact CG1-CD2 3.92Å; K1450-L1490 HydrophobicContact CG-CD2 4.22Å; L1471-L1490 HydrophobicContact CD1-CB 4.11Å; L1471-L1490 HydrophobicContact CD2-CB 4.09Å; L1471-L1490 HydrophobicContact CD2-CD1 3.84Å; E1486-L1490 WeakPolarHBondContact O-CG 3.48Å; E1486-L1490 PolarHBondContact O-N 2.89Å; S1487-L1490 WeakPolarHBondContact O-CA 3.09Å; S1487-L1490 WeakPolarHBondContact O-CB 3.26Å; S1487-L1490 PolarHBondContact O-N 2.82Å; L1490-R1492 VanDerWaalsContact C-N 3.28Å; L1490-R1492 PolarHBondContact O-N 3.38Å; L1490-I1493 HydrophobicContact CD2-CD1 4.02Å; L1490-I1493 CarbonylContact O-C 3.44Å; L1490-I1493 WeakPolarHBondContact O-CA 3.38Å; L1490-I1493 WeakPolarHBondContact O-CB 3.3Å; L1490-I1493 PolarHBondContact O-N 2.68Å; L1490-C1494 PolarHBondContact O-N 2.95Å; L1490-C1494 PolarHBondContact O-SG 3.43Å; L1490-C1494 VanDerWaalsContact O-SG 3.34Å |
| 1491 | I | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -38.2 | 174.6 | -62.7 | 168.3 | 0 | 0 | 0 | 111.1 | L1471 A1472 S1487 I1488 I1493 C1494 A1495 V1549 L1553 I1556 | L1471-I1491 HydrophobicContact CB-CD1 4.03Å; L1471-I1491 HydrophobicContact CB-CG1 3.74Å; L1471-I1491 HydrophobicContact CD1-CG1 4Å; A1472-I1491 HydrophobicContact CB-CD1 4.32Å; S1487-I1491 WeakPolarHBondContact O-CG1 3.41Å; S1487-I1491 PolarHBondContact O-N 3.3Å; I1488-I1491 PolarHBondContact O-N 2.98Å; I1491-I1493 VanDerWaalsContact C-N 3.29Å; I1491-I1493 PolarHBondContact O-N 3.34Å; I1491-C1494 WeakPolarHBondContact O-CB 3.38Å; I1491-C1494 PolarHBondContact O-N 2.96Å; I1491-A1495 PolarHBondContact O-N 3.35Å; I1491-V1549 HydrophobicContact CG2-CG1 4.04Å; I1491-L1553 HydrophobicContact CB-CD2 4.26Å; I1491-L1553 HydrophobicContact CD1-CD2 4.37Å; I1491-L1553 HydrophobicContact CG2-CD1 3.96Å; I1491-L1553 HydrophobicContact CG2-CD2 3.77Å; I1491-L1553 HydrophobicContact CG2-CG 3.65Å; I1491-I1556 HydrophobicContact CD1-CD1 3.7Å |
| 1492 | R | 94.7 | Very high | 91.3 | Very high | 103 Ų | 103 | 38.2 Ų | 38.2 | 39% | 0.389 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59 | -41.5 | 171.6 | -170.1 | -178.5 | -178.7 | -148.7 | 0.1 | 111.9 | I1488 R1489 L1490 C1494 A1495 C1496 V1596 D1599 | I1488-R1492 PolarHBondContact O-N 3.4Å; R1489-R1492 WeakPolarHBondContact O-CB 3.12Å; R1489-R1492 PolarHBondContact O-N 2.63Å; L1490-R1492 VanDerWaalsContact C-N 3.28Å; L1490-R1492 PolarHBondContact O-N 3.38Å; R1492-C1494 VanDerWaalsContact C-N 3.35Å; R1492-A1495 VanDerWaalsContact O-CB 3.3Å; R1492-A1495 WeakPolarHBondContact O-CB 3.34Å; R1492-A1495 PolarHBondContact O-N 3.42Å; R1492-C1496 PolarHBondContact O-N 3.14Å; R1492-C1496 PolarHBondContact O-SG 2.99Å; R1492-C1496 VanDerWaalsContact O-SG 3.33Å; R1492-V1596 HydrophobicContact CB-CG1 3.74Å; R1492-V1596 HydrophobicContact CG-CG1 4.04Å; R1492-D1599 IonicContact CZ-OD2 2.73Å; R1492-D1599 IonicContact NE-OD2 3.53Å; R1492-D1599 PolarHBondContact NE-OD2 3.09Å; R1492-D1599 IonicContact NH2-OD2 3.91Å; R1492-D1599 PolarHBondContact NH2-OD2 2.87Å |
| 1493 | I | 93.8 | Very high | 91.1 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 19% | 0.19 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -37.9 | 177 | -65.9 | 154.6 | 0 | 0 | 0 | 110.9 | V1449 K1450 R1489 L1490 I1491 A1495 C1496 T1497 | V1449-I1493 HydrophobicContact CG1-CB 4.14Å; V1449-I1493 HydrophobicContact CG1-CG2 3.8Å; K1450-I1493 HydrophobicContact CD-CD1 4.32Å; K1450-I1493 VanDerWaalsContact CE-CD1 3.49Å; R1489-I1493 WeakPolarHBondContact O-CD1 3.09Å; R1489-I1493 WeakPolarHBondContact O-CG1 3.41Å; R1489-I1493 PolarHBondContact O-N 3.42Å; L1490-I1493 HydrophobicContact CD2-CD1 4.02Å; L1490-I1493 CarbonylContact O-C 3.44Å; L1490-I1493 WeakPolarHBondContact O-CA 3.38Å; L1490-I1493 WeakPolarHBondContact O-CB 3.3Å; L1490-I1493 PolarHBondContact O-N 2.68Å; I1491-I1493 VanDerWaalsContact C-N 3.29Å; I1491-I1493 PolarHBondContact O-N 3.34Å; I1493-A1495 VanDerWaalsContact C-N 3.28Å; I1493-A1495 PolarHBondContact O-N 3.31Å; I1493-C1496 PolarHBondContact O-N 2.96Å; I1493-T1497 WeakPolarHBondContact O-CB 3.47Å; I1493-T1497 PolarHBondContact O-N 3.41Å; I1493-T1497 PolarHBondContact O-OG1 2.91Å |
| 1494 | C | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.8 | -42.7 | 171.4 | -64.9 | 0 | 0 | 0 | 0 | 111 | F1464 L1490 I1491 R1492 T1497 V1498 V1549 | F1464-C1494 HydrophobicContact CE2-CB 3.82Å; F1464-C1494 HydrophobicContact CZ-CB 3.8Å; L1490-C1494 PolarHBondContact O-N 2.95Å; L1490-C1494 PolarHBondContact O-SG 3.43Å; L1490-C1494 VanDerWaalsContact O-SG 3.34Å; I1491-C1494 WeakPolarHBondContact O-CB 3.38Å; I1491-C1494 PolarHBondContact O-N 2.96Å; R1492-C1494 VanDerWaalsContact C-N 3.35Å; C1494-T1497 WeakPolarHBondContact O-CB 3.36Å; C1494-T1497 PolarHBondContact O-N 2.95Å; C1494-V1498 WeakPolarHBondContact O-CG2 3.48Å; C1494-V1498 PolarHBondContact O-N 3.13Å; C1494-V1549 HydrophobicContact CB-CG2 4.48Å |
| 1495 | A | 92.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1491 R1492 I1493 T1497 V1498 A1499 W1546 V1549 I1600 | I1491-A1495 PolarHBondContact O-N 3.35Å; R1492-A1495 VanDerWaalsContact O-CB 3.3Å; R1492-A1495 WeakPolarHBondContact O-CB 3.34Å; R1492-A1495 PolarHBondContact O-N 3.42Å; I1493-A1495 VanDerWaalsContact C-N 3.28Å; I1493-A1495 PolarHBondContact O-N 3.31Å; A1495-T1497 VanDerWaalsContact C-N 3.27Å; A1495-T1497 PolarHBondContact O-N 2.82Å; A1495-V1498 PolarHBondContact O-N 3.26Å; A1495-A1499 PolarHBondContact O-N 2.8Å; A1495-W1546 HydrophobicContact CB-CZ3 4.22Å; A1495-V1549 HydrophobicContact CB-CG1 3.87Å; A1495-I1600 HydrophobicContact CB-CD1 3.51Å; A1495-I1600 HydrophobicContact CB-CG1 3.7Å; A1495-I1600 HydrophobicContact CB-CG2 4.12Å |
| 1496 | C | 92.3 | Very high | 89.8 | Confident | 39 Ų | 39 | 36.3 Ų | 36.3 | 26% | 0.264 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.5 | -39.8 | 174.3 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | R1492 I1493 V1498 A1499 E1500 | R1492-C1496 PolarHBondContact O-N 3.14Å; R1492-C1496 PolarHBondContact O-SG 2.99Å; R1492-C1496 VanDerWaalsContact O-SG 3.33Å; I1493-C1496 PolarHBondContact O-N 2.96Å; C1496-V1498 PolarHBondContact O-N 3.22Å; C1496-A1499 PolarHBondContact O-N 3.07Å; C1496-E1500 WeakPolarHBondContact O-CB 3.46Å; C1496-E1500 WeakPolarHBondContact O-CG 3.43Å; C1496-E1500 PolarHBondContact O-N 3.28Å |
| 1497 | T | 90.6 | Very high | 88.2 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 8% | 0.08 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 179.2 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | F1453 L1457 I1493 C1494 A1495 N1501 | F1453-T1497 HydrophobicContact CD2-CG2 4.01Å; L1457-T1497 HydrophobicContact CD1-CG2 3.65Å; L1457-T1497 HydrophobicContact CD2-CG2 3.53Å; L1457-T1497 HydrophobicContact CG-CG2 4.23Å; I1493-T1497 WeakPolarHBondContact O-CB 3.47Å; I1493-T1497 PolarHBondContact O-N 3.41Å; I1493-T1497 PolarHBondContact O-OG1 2.91Å; C1494-T1497 WeakPolarHBondContact O-CB 3.36Å; C1494-T1497 PolarHBondContact O-N 2.95Å; A1495-T1497 VanDerWaalsContact C-N 3.27Å; A1495-T1497 PolarHBondContact O-N 2.82Å; T1497-N1501 WeakPolarHBondContact O-CB 3.28Å; T1497-N1501 PolarHBondContact O-N 3.29Å; T1497-N1501 VanDerWaalsContact O-N 3.12Å; T1497-N1501 PolarHBondContact O-ND2 2.57Å |
| 1498 | V | 90.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 173.4 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | F1464 C1494 A1495 C1496 E1500 E1502 F1505 I1541 W1546 | F1464-V1498 HydrophobicContact CE1-CG2 3.86Å; F1464-V1498 HydrophobicContact CE2-CG2 4.21Å; F1464-V1498 HydrophobicContact CZ-CG2 3.47Å; F1464-V1498 VanDerWaalsContact CZ-CG2 3.47Å; C1494-V1498 WeakPolarHBondContact O-CG2 3.48Å; C1494-V1498 PolarHBondContact O-N 3.13Å; A1495-V1498 PolarHBondContact O-N 3.26Å; C1496-V1498 PolarHBondContact O-N 3.22Å; V1498-E1500 PolarHBondContact O-N 3.12Å; V1498-E1502 PolarHBondContact O-N 2.95Å; V1498-F1505 HydrophobicContact CB-CE2 4.26Å; V1498-F1505 HydrophobicContact CB-CZ 4.45Å; V1498-F1505 HydrophobicContact CG2-CE1 4.11Å; V1498-F1505 HydrophobicContact CG2-CE2 3.92Å; V1498-F1505 HydrophobicContact CG2-CZ 3.63Å; V1498-I1541 HydrophobicContact CG1-CG2 4.31Å; V1498-W1546 HydrophobicContact CG1-CD2 3.98Å; V1498-W1546 HydrophobicContact CG1-CG 4.22Å; V1498-W1546 HydrophobicContact CG1-CZ2 4.14Å |
| 1499 | A | 87.7 | Confident | 83.4 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 5% | 0.05 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -37.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1495 C1496 W1546 H1604 K1607 | A1495-A1499 PolarHBondContact O-N 2.8Å; C1496-A1499 PolarHBondContact O-N 3.07Å; A1499-W1546 HydrophobicContact CB-CH2 3.87Å; A1499-W1546 HydrophobicContact CB-CZ2 3.86Å; A1499-H1604 WeakPolarHBondContact CB-ND1 3.44Å; A1499-K1607 HydrophobicContact CB-CD 4.4Å; A1499-K1607 PolarHBondContact O-NZ 3.43Å |
| 1500 | E | 88.4 | Confident | 80.5 | Confident | 152 Ų | 152 | 49.4 Ų | 49.4 | 71% | 0.71 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -79.9 | -25.3 | -177.9 | -72.1 | 172.1 | -174.2 | 0 | 0 | 112.8 | C1496 V1498 | C1496-E1500 WeakPolarHBondContact O-CB 3.46Å; C1496-E1500 WeakPolarHBondContact O-CG 3.43Å; C1496-E1500 PolarHBondContact O-N 3.28Å; V1498-E1500 PolarHBondContact O-N 3.12Å |
| 1501 | N | 87.8 | Confident | 77.6 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | trans | -122.7 | 41.2 | -171.2 | -58.8 | -81.8 | 0 | 0 | 0 | 113.2 | L1457 T1497 T1503 V1504 F1505 | L1457-N1501 HydrophobicContact CD2-CB 3.58Å; T1497-N1501 WeakPolarHBondContact O-CB 3.28Å; T1497-N1501 PolarHBondContact O-N 3.29Å; T1497-N1501 VanDerWaalsContact O-N 3.12Å; T1497-N1501 PolarHBondContact O-ND2 2.57Å; N1501-T1503 PolarHBondContact O-N 3.43Å; N1501-T1503 VanDerWaalsContact O-N 3.15Å; N1501-V1504 HydrophobicContact CB-CB 4.34Å; N1501-V1504 HydrophobicContact CB-CG2 4.1Å; N1501-V1504 WeakPolarHBondContact O-CB 3.41Å; N1501-V1504 PolarHBondContact O-N 3.21Å; N1501-F1505 WeakPolarHBondContact O-CD2 3.31Å | ||
| 1502 | E | 83.7 | Confident | 74.7 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -49.5 | -42.7 | -177.7 | -72.7 | 177.1 | 168.7 | 0 | 0 | 113.3 | V1498 V1504 F1505 I1506 I1541 K1607 | V1498-E1502 PolarHBondContact O-N 2.95Å; E1502-V1504 PolarHBondContact O-N 3.35Å; E1502-F1505 PolarHBondContact O-N 3.4Å; E1502-I1506 WeakPolarHBondContact O-CG1 3.31Å; E1502-I1506 PolarHBondContact O-N 3.24Å; E1502-I1541 HydrophobicContact CB-CD1 4.13Å; E1502-I1541 HydrophobicContact CG-CD1 4.46Å; E1502-K1607 WeakPolarHBondContact OE1-CD 3.4Å; E1502-K1607 WeakPolarHBondContact OE1-CE 3.47Å; E1502-K1607 WeakPolarHBondContact OE1-CG 3.47Å; E1502-K1607 IonicContact OE1-NZ 3.21Å; E1502-K1607 PolarHBondContact OE1-NZ 3.13Å; E1502-K1607 IonicContact OE2-NZ 3.74Å |
| 1503 | T | 81.2 | Confident | 71.6 | Confident | 106 Ų | 106 | 67.6 Ų | 67.6 | 65% | 0.65 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.4 | -28 | 179.9 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | N1501 | N1501-T1503 PolarHBondContact O-N 3.43Å; N1501-T1503 VanDerWaalsContact O-N 3.15Å |
| 1504 | V | 83.7 | Confident | 68.7 | Low | 27 Ų | 27 | 71.1 Ų | 71.1 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -73.7 | -31.3 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 111 | L1457 R1458 V1461 N1501 E1502 | L1457-V1504 HydrophobicContact CG-CG1 4.45Å; R1458-V1504 HydrophobicContact CG-CG1 3.98Å; R1458-V1504 HydrophobicContact CG-CG2 4.27Å; V1461-V1504 HydrophobicContact CB-CG1 4.28Å; V1461-V1504 HydrophobicContact CG2-CG1 4.15Å; N1501-V1504 HydrophobicContact CB-CB 4.34Å; N1501-V1504 HydrophobicContact CB-CG2 4.1Å; N1501-V1504 WeakPolarHBondContact O-CB 3.41Å; N1501-V1504 PolarHBondContact O-N 3.21Å; E1502-V1504 PolarHBondContact O-N 3.35Å |
| 1505 | F | 83.2 | Confident | 65.6 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -85 | -18.5 | -179.5 | -72.7 | -89.4 | 0 | 0 | 0 | 113.8 | V1461 F1464 V1498 N1501 E1502 G1507 I1541 R1544 | V1461-F1505 HydrophobicContact CG2-CD1 3.69Å; V1461-F1505 HydrophobicContact CG2-CE1 3.63Å; V1461-F1505 HydrophobicContact CG2-CG 4.18Å; V1461-F1505 HydrophobicContact CG2-CZ 4.06Å; F1464-F1505 HydrophobicContact CB-CE1 4.41Å; F1464-F1505 HydrophobicContact CD1-CE1 4.04Å; F1464-F1505 HydrophobicContact CD2-CE1 4.36Å; F1464-F1505 HydrophobicContact CD2-CZ 4.2Å; F1464-F1505 HydrophobicContact CE1-CE1 4.37Å; F1464-F1505 HydrophobicContact CE2-CZ 4.28Å; F1464-F1505 HydrophobicContact CG-CE1 4.03Å; F1464-F1505 HydrophobicContact CG-CZ 4.33Å; F1464-F1505 HydrophobicContact CZ-CZ 4.49Å; V1498-F1505 HydrophobicContact CB-CE2 4.26Å; V1498-F1505 HydrophobicContact CB-CZ 4.45Å; V1498-F1505 HydrophobicContact CG2-CE1 4.11Å; V1498-F1505 HydrophobicContact CG2-CE2 3.92Å; V1498-F1505 HydrophobicContact CG2-CZ 3.63Å; N1501-F1505 WeakPolarHBondContact O-CD2 3.31Å; E1502-F1505 PolarHBondContact O-N 3.4Å; F1505-G1507 PolarHBondContact O-N 3.07Å; F1505-I1541 HydrophobicContact CB-CG1 4.27Å; F1505-I1541 HydrophobicContact CB-CG2 4.39Å; F1505-R1544 HydrophobicContact CD1-CB 4.12Å |
| 1506 | I | 75.5 | Confident | 62.6 | Low | 29 Ų | 29 | 85.1 Ų | 85.1 | 15% | 0.149 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.2 | 177 | -66 | 168.8 | 0 | 0 | 0 | 112.7 | E1502 L1508 E1537 Q1540 I1541 | E1502-I1506 WeakPolarHBondContact O-CG1 3.31Å; E1502-I1506 PolarHBondContact O-N 3.24Å; I1506-L1508 PolarHBondContact O-N 2.98Å; I1506-E1537 HydrophobicContact CG2-CB 3.8Å; I1506-E1537 HydrophobicContact CG2-CG 4.13Å; I1506-Q1540 PolarHBondContact O-OE1 3.01Å; I1506-I1541 HydrophobicContact CD1-CD1 3.61Å; I1506-I1541 HydrophobicContact CD1-CG1 4.22Å; I1506-I1541 HydrophobicContact CG1-CD1 3.37Å; I1506-I1541 HydrophobicContact CG1-CG1 3.4Å |
| 1507 | G | 60.8 | Low | 59.7 | Low | 22 Ų | 22 | 89.4 Ų | 89.4 | 23% | 0.227 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 27.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F1505 Q1509 | F1505-G1507 PolarHBondContact O-N 3.07Å; G1507-Q1509 VanDerWaalsContact C-N 3.34Å; G1507-Q1509 PolarHBondContact O-N 3.4Å |
| 1508 | L | 45 | Very low | 56.7 | Low | 139 Ų | 139 | 95.5 Ų | 95.5 | 73% | 0.728 | 51% | 0.512 | S | S | * | . | trans | -62.4 | 95.3 | 166.5 | -79.5 | 166.1 | 0 | 0 | 0 | 109.5 | I1506 N1510 | I1506-L1508 PolarHBondContact O-N 2.98Å; L1508-N1510 PolarHBondContact O-N 2.89Å | ||
| 1509 | Q | 42.1 | Very low | 54 | Low | 127 Ų | 127 | 102.2 Ų | 102.2 | 59% | 0.593 | 55% | 0.548 | S | S | * | . | trans | -52 | 133.8 | 162.4 | -137.5 | 102.5 | 5.7 | 0 | 0 | 107.7 | N1371 G1507 | N1371-Q1509 PolarHBondContact OD1-NE2 3.36Å; G1507-Q1509 VanDerWaalsContact C-N 3.34Å; G1507-Q1509 PolarHBondContact O-N 3.4Å | ||
| 1510 | N | 33.9 | Very low | 51.2 | Low | 118 Ų | 118 | 109.8 Ų | 109.8 | 63% | 0.631 | 59% | 0.587 | S | S | * | * | trans | -22.7 | 129.1 | 179.3 | -85.5 | -29 | 0 | 0 | 0 | 114.9 | L1508 E1512 | L1508-N1510 PolarHBondContact O-N 2.89Å; N1510-E1512 PolarHBondContact O-N 3.03Å | ||
| 1511 | P | 35.1 | Very low | 48.3 | Very low | 133 Ų | 133 | 108.5 Ų | 108.5 | 86% | 0.864 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 21.5 | -175.2 | 29.3 | -34.7 | 0 | 0 | 0 | 115.5 | ||
| 1512 | E | 32.2 | Very low | 45.3 | Very low | 166 Ų | 166 | 113.9 Ų | 113.9 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 7.4 | -179.6 | -83 | -169.6 | 160.9 | 0 | 0 | 115.5 | N1510 | N1510-E1512 PolarHBondContact O-N 3.03Š|
| 1513 | F | 29.7 | Very low | 42.6 | Very low | 187 Ų | 187 | 120 Ų | 120 | 82% | 0.82 | 65% | 0.649 | S | S | * | * | trans | -122.5 | 98.7 | 171.4 | -73.7 | -79.6 | 0 | 0 | 0 | 111.3 | I1515 | F1513-I1515 PolarHBondContact O-N 3.35Š| ||
| 1514 | P | 32.9 | Very low | 39.9 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | trans | -62.7 | 131.2 | 170 | -10.2 | 24.6 | 0 | 0 | 0 | 108.6 | V1516 | P1514-V1516 PolarHBondContact O-N 3.29Š| ||
| 1515 | I | 29.5 | Very low | 37.3 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 81% | 0.805 | 68% | 0.683 | S | S | * | * | trans | -54 | 100.6 | 177.2 | -60 | 163.2 | 0 | 0 | 0 | 108.7 | F1513 N1517 | F1513-I1515 PolarHBondContact O-N 3.35Å; I1515-N1517 PolarHBondContact O-N 3.18Å | ||
| 1516 | V | 28.7 | Very low | 34.7 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | -81 | 113.5 | 168 | 176.6 | 0 | 0 | 0 | 0 | 106.9 | P1514 | P1514-V1516 PolarHBondContact O-N 3.29Š| ||
| 1517 | N | 31 | Very low | 32.9 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | -55.4 | 149.2 | 174.5 | -75.3 | -31.9 | 0 | 0 | 0 | 112.3 | I1515 | I1515-N1517 PolarHBondContact O-N 3.18Š| ||
| 1518 | N | 28.1 | Very low | 31.8 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 86 | 114.1 | 160.9 | -68 | -18.2 | 0 | 0 | 0 | 119.3 | ||
| 1519 | N | 33.2 | Very low | 31.5 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | 45.5 | 84.9 | 129.8 | -59.4 | -12.3 | 0 | 0 | 0 | 116.3 | |||||
| 1520 | N | 28.8 | Very low | 31.6 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -154.2 | 119.8 | 137.2 | -86.7 | -35.2 | 0 | 0 | 0 | 109.1 | M1522 | N1520-M1522 PolarHBondContact O-N 3.05Å; N1520-M1522 VanDerWaalsContact O-N 3.12Å | ||
| 1521 | S | 28.4 | Very low | 32.2 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 88% | 0.881 | 73% | 0.733 | S | S | * | * | trans | -62.3 | 103.6 | 177.8 | 46.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1522 | M | 24.6 | Very low | 32.9 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 83% | 0.828 | 70% | 0.699 | S | S | * | * | trans | -122.8 | 109.8 | 162.1 | -168.4 | 151.2 | 153.8 | 0 | 0 | 107.5 | N1520 L1524 | N1520-M1522 PolarHBondContact O-N 3.05Å; N1520-M1522 VanDerWaalsContact O-N 3.12Å; M1522-L1524 PolarHBondContact O-N 3.38Å; M1522-L1524 VanDerWaalsContact O-N 3.11Å | ||
| 1523 | E | 27 | Very low | 33.6 | Very low | 192 Ų | 192 | 129.1 Ų | 129.1 | 90% | 0.897 | 68% | 0.679 | S | S | * | * | trans | -63.6 | 105.2 | -179.3 | -69.3 | 178.1 | 152 | 0 | 0 | 109.7 | ||||
| 1524 | L | 25.3 | Very low | 34.6 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 80% | 0.796 | 67% | 0.674 | S | S | * | * | trans | -73.7 | 133.6 | 166.8 | -99.6 | 91.9 | 0 | 0 | 0 | 109.9 | M1522 N1526 | M1522-L1524 PolarHBondContact O-N 3.38Å; M1522-L1524 VanDerWaalsContact O-N 3.11Å; L1524-N1526 PolarHBondContact O-N 2.9Å; L1524-N1526 VanDerWaalsContact O-N 3.13Å | ||
| 1525 | P | 28.8 | Very low | 35.5 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 72% | 0.721 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -78.7 | 98.5 | -179.3 | 30.8 | -31.2 | 0 | 0 | 0 | 110.1 | ||
| 1526 | N | 29.2 | Very low | 36.9 | Very low | 77 Ų | 77 | 120.4 Ų | 120.4 | 41% | 0.412 | 64% | 0.64 | S | S | . | * | trans | 172.4 | 96.8 | 150.1 | -87.9 | -24.8 | 0 | 0 | 0 | 107.8 | L1524 D1528 | L1524-N1526 PolarHBondContact O-N 2.9Å; L1524-N1526 VanDerWaalsContact O-N 3.13Å; N1526-D1528 PolarHBondContact O-N 2.98Å | ||
| 1527 | S | 36.7 | Very low | 38.2 | Very low | 90 Ų | 90 | 119.6 Ų | 119.6 | 63% | 0.629 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -29.8 | 176 | 46.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1528 | D | 37.6 | Very low | 39.8 | Very low | 136 Ų | 136 | 117.1 Ų | 117.1 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -23.5 | -167.8 | -59.1 | -9 | 0 | 0 | 0 | 113.3 | N1526 | N1526-D1528 PolarHBondContact O-N 2.98Š|
| 1529 | L | 39.1 | Very low | 41.9 | Very low | 59 Ų | 59 | 112.2 Ų | 112.2 | 31% | 0.309 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.6 | -10.9 | 176.2 | -89.3 | 98.9 | 0 | 0 | 0 | 114.1 | Y1531 V1532 Y1533 | L1529-Y1531 PolarHBondContact O-N 2.77Å; L1529-Y1531 VanDerWaalsContact O-N 3.16Å; L1529-V1532 PolarHBondContact O-N 3.41Å; L1529-Y1533 HydrophobicContact CB-CD2 4.3Å; L1529-Y1533 HydrophobicContact CB-CE2 3.83Å; L1529-Y1533 HydrophobicContact CD2-CE2 3.55Å; L1529-Y1533 WeakPolarHBondContact CD2-OH 3.44Å; L1529-Y1533 HydrophobicContact CG-CE2 4.31Å; L1529-Y1533 VanDerWaalsContact O-CD2 3.27Å; L1529-Y1533 WeakPolarHBondContact O-CD2 3.42Å |
| 1530 | K | 43.3 | Very low | 44 | Very low | 150 Ų | 150 | 106.1 Ų | 106.1 | 65% | 0.652 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -31.8 | -173.9 | -159.6 | 177.3 | -175.4 | 179.7 | 0 | 112.5 | L1534 | K1530-L1534 WeakPolarHBondContact O-CD1 3.38Š|
| 1531 | Y | 47.8 | Very low | 46.7 | Very low | 164 Ų | 164 | 98.9 Ų | 98.9 | 64% | 0.643 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -28.1 | 177.7 | -66.5 | -77.8 | 0 | 0 | 0 | 113.3 | L1529 L1534 L1535 | L1529-Y1531 PolarHBondContact O-N 2.77Å; L1529-Y1531 VanDerWaalsContact O-N 3.16Å; Y1531-L1534 PolarHBondContact O-N 2.68Å; Y1531-L1535 WeakPolarHBondContact O-CG 3.45Å; Y1531-L1535 PolarHBondContact O-N 3.04Å |
| 1532 | V | 49.1 | Very low | 49.4 | Very low | 25 Ų | 25 | 93.5 Ų | 93.5 | 15% | 0.152 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -40.7 | -177.3 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | L1529 L1534 L1535 Q1540 L1543 R1544 | L1529-V1532 PolarHBondContact O-N 3.41Å; V1532-L1534 VanDerWaalsContact C-N 3.35Å; V1532-L1534 PolarHBondContact O-N 2.89Å; V1532-L1535 WeakPolarHBondContact O-CB 3.49Å; V1532-L1535 PolarHBondContact O-N 3.21Å; V1532-Q1540 WeakPolarHBondContact O-CG 3.33Å; V1532-L1543 HydrophobicContact CG2-CD1 4.48Å; V1532-R1544 HydrophobicContact CG1-CG 4.12Å |
| 1533 | Y | 47.4 | Very low | 52.1 | Low | 94 Ų | 94 | 88.3 Ų | 88.3 | 37% | 0.369 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -16.9 | -178.5 | -63 | -68.7 | 0 | 0 | 0 | 114.6 | L1529 L1535 R1544 | L1529-Y1533 HydrophobicContact CB-CD2 4.3Å; L1529-Y1533 HydrophobicContact CB-CE2 3.83Å; L1529-Y1533 HydrophobicContact CD2-CE2 3.55Å; L1529-Y1533 WeakPolarHBondContact CD2-OH 3.44Å; L1529-Y1533 HydrophobicContact CG-CE2 4.31Å; L1529-Y1533 VanDerWaalsContact O-CD2 3.27Å; L1529-Y1533 WeakPolarHBondContact O-CD2 3.42Å; Y1533-L1535 VanDerWaalsContact C-N 3.34Å; Y1533-R1544 PolarHBondContact OH-NH2 2.89Å |
| 1534 | L | 49.8 | Very low | 54.8 | Low | 136 Ų | 136 | 80.7 Ų | 80.7 | 71% | 0.712 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -11.7 | 174.9 | -71.7 | 168.9 | 0 | 0 | 0 | 112.4 | K1530 Y1531 V1532 | K1530-L1534 WeakPolarHBondContact O-CD1 3.38Å; Y1531-L1534 PolarHBondContact O-N 2.68Å; V1532-L1534 VanDerWaalsContact C-N 3.35Å; V1532-L1534 PolarHBondContact O-N 2.89Å |
| 1535 | L | 52.6 | Low | 57.8 | Low | 60 Ų | 60 | 73.5 Ų | 73.5 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -74.3 | 145.1 | 176 | -73 | 161.4 | 0 | 0 | 0 | 109.8 | Y1531 V1532 Y1533 E1537 D1539 Q1540 L1543 | Y1531-L1535 WeakPolarHBondContact O-CG 3.45Å; Y1531-L1535 PolarHBondContact O-N 3.04Å; V1532-L1535 WeakPolarHBondContact O-CB 3.49Å; V1532-L1535 PolarHBondContact O-N 3.21Å; Y1533-L1535 VanDerWaalsContact C-N 3.34Å; L1535-E1537 PolarHBondContact O-N 3.33Å; L1535-D1539 HydrophobicContact CB-CB 4.17Å; L1535-Q1540 PolarHBondContact O-NE2 2.96Å; L1535-L1543 HydrophobicContact CD1-CD1 3.27Å |
| 1536 | P | 57.9 | Low | 60.7 | Low | 77 Ų | 77 | 68.2 Ų | 68.2 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | trans | -45.1 | 139.8 | 172.3 | -26.2 | 33.6 | 0 | 0 | 0 | 111.1 | D1538 D1539 | P1536-D1538 PolarHBondContact O-N 3.09Å; P1536-D1539 PolarHBondContact O-N 3.33Å | ||
| 1537 | E | 57.5 | Low | 63.4 | Low | 118 Ų | 118 | 66.9 Ų | 66.9 | 55% | 0.551 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -42.9 | -41.2 | -174.7 | -72.6 | -177.9 | 176.8 | 0 | 0 | 113.2 | I1506 L1535 D1539 Q1540 | I1506-E1537 HydrophobicContact CG2-CB 3.8Å; I1506-E1537 HydrophobicContact CG2-CG 4.13Å; L1535-E1537 PolarHBondContact O-N 3.33Å; E1537-D1539 PolarHBondContact O-N 3.03Å; E1537-Q1540 PolarHBondContact O-N 2.98Å |
| 1538 | D | 63.5 | Low | 65.8 | Low | 78 Ų | 78 | 63 Ų | 63 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | 179.7 | -61.3 | -32.5 | 0 | 0 | 0 | 114.2 | P1536 Q1540 I1541 K1609 W1612 | P1536-D1538 PolarHBondContact O-N 3.09Å; D1538-Q1540 PolarHBondContact O-N 2.83Å; D1538-I1541 PolarHBondContact O-N 3.3Å; D1538-K1609 HydrophobicContact CB-CD 4.43Å; D1538-K1609 VanDerWaalsContact OD2-CE 3.3Å; D1538-K1609 WeakPolarHBondContact OD2-CE 3.43Å; D1538-K1609 IonicContact OD2-NZ 3.6Å; D1538-K1609 PolarHBondContact OD2-NZ 2.94Å; D1538-W1612 VanDerWaalsContact O-CH2 3.26Å; D1538-W1612 WeakPolarHBondContact O-CH2 3.42Å; D1538-W1612 WeakPolarHBondContact O-CZ2 3.42Å |
| 1539 | D | 72.3 | Confident | 68.3 | Low | 38 Ų | 38 | 56.5 Ų | 56.5 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.1 | -16.2 | -176.6 | -70 | -25.2 | 0 | 0 | 0 | 112.2 | L1535 P1536 E1537 W1542 L1543 W1612 | L1535-D1539 HydrophobicContact CB-CB 4.17Å; P1536-D1539 PolarHBondContact O-N 3.33Å; E1537-D1539 PolarHBondContact O-N 3.03Å; D1539-W1542 WeakPolarHBondContact O-CB 3.44Å; D1539-W1542 PolarHBondContact O-N 3.26Å; D1539-L1543 PolarHBondContact O-N 2.79Å; D1539-W1612 PolarHBondContact OD1-NE1 3.07Å |
| 1540 | Q | 78.2 | Confident | 70.7 | Confident | 13 Ų | 13 | 54 Ų | 54 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 174.4 | -58.5 | -169.2 | 24 | 0 | 0 | 111.8 | I1506 V1532 L1535 E1537 D1538 W1542 L1543 R1544 | I1506-Q1540 PolarHBondContact O-OE1 3.01Å; V1532-Q1540 WeakPolarHBondContact O-CG 3.33Å; L1535-Q1540 PolarHBondContact O-NE2 2.96Å; E1537-Q1540 PolarHBondContact O-N 2.98Å; D1538-Q1540 PolarHBondContact O-N 2.83Å; Q1540-W1542 VanDerWaalsContact C-N 3.28Å; Q1540-W1542 PolarHBondContact O-N 2.87Å; Q1540-L1543 PolarHBondContact O-N 3.49Å; Q1540-R1544 VanDerWaalsContact O-CB 3.29Å; Q1540-R1544 WeakPolarHBondContact O-CB 3.34Å; Q1540-R1544 WeakPolarHBondContact O-CG 3.2Å; Q1540-R1544 PolarHBondContact O-N 2.91Å |
| 1541 | I | 84.9 | Confident | 72.7 | Confident | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 176.8 | -57.7 | 163.8 | 0 | 0 | 0 | 110.6 | V1498 E1502 F1505 I1506 D1538 G1545 W1546 | V1498-I1541 HydrophobicContact CG1-CG2 4.31Å; E1502-I1541 HydrophobicContact CB-CD1 4.13Å; E1502-I1541 HydrophobicContact CG-CD1 4.46Å; F1505-I1541 HydrophobicContact CB-CG1 4.27Å; F1505-I1541 HydrophobicContact CB-CG2 4.39Å; I1506-I1541 HydrophobicContact CD1-CD1 3.61Å; I1506-I1541 HydrophobicContact CD1-CG1 4.22Å; I1506-I1541 HydrophobicContact CG1-CD1 3.37Å; I1506-I1541 HydrophobicContact CG1-CG1 3.4Å; D1538-I1541 PolarHBondContact O-N 3.3Å; I1541-G1545 VanDerWaalsContact O-CA 3.3Å; I1541-G1545 WeakPolarHBondContact O-CA 3.26Å; I1541-G1545 PolarHBondContact O-N 2.75Å; I1541-W1546 PolarHBondContact O-N 3.01Å; I1541-W1546 VanDerWaalsContact O-N 3.16Å |
| 1542 | W | 84.9 | Confident | 74.5 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -60.5 | -54.8 | 176.6 | -180 | -115.5 | 0 | 0 | 0 | 111.3 | D1539 Q1540 W1546 M1547 L1550 F1608 W1612 E1615 T1616 | D1539-W1542 WeakPolarHBondContact O-CB 3.44Å; D1539-W1542 PolarHBondContact O-N 3.26Å; Q1540-W1542 VanDerWaalsContact C-N 3.28Å; Q1540-W1542 PolarHBondContact O-N 2.87Å; W1542-W1546 HydrophobicContact CD2-CB 4.46Å; W1542-W1546 HydrophobicContact CE3-CB 3.49Å; W1542-W1546 VanDerWaalsContact CE3-CB 3.49Å; W1542-W1546 HydrophobicContact CE3-CG 4.29Å; W1542-W1546 HydrophobicContact CZ3-CB 3.68Å; W1542-W1546 PolarHBondContact O-N 3.21Å; W1542-M1547 HydrophobicContact CD2-CB 4.45Å; W1542-M1547 WeakPolarHBondContact O-CB 3.32Å; W1542-M1547 PolarHBondContact O-N 3.35Å; W1542-L1550 HydrophobicContact CH2-CD1 3.74Å; W1542-L1550 HydrophobicContact CZ3-CD1 3.8Å; W1542-F1608 HydrophobicContact CH2-CE2 4.42Å; W1542-F1608 HydrophobicContact CZ3-CD2 4.1Å; W1542-F1608 AromaticContact CZ3-CE2 3.78Å; W1542-F1608 HydrophobicContact CZ3-CE2 3.78Å; W1542-F1608 HydrophobicContact CZ3-CZ 4.25Å; W1542-W1612 HydrophobicContact CB-CD2 3.84Å; W1542-W1612 VanDerWaalsContact CB-CE2 3.47Å; W1542-W1612 HydrophobicContact CB-CE3 4.34Å; W1542-W1612 HydrophobicContact CB-CG 4.28Å; W1542-W1612 HydrophobicContact CB-CH2 4.26Å; W1542-W1612 HydrophobicContact CB-CZ2 3.73Å; W1542-W1612 AromaticContact CD1-CD1 3.83Å; W1542-W1612 HydrophobicContact CD2-CB 3.83Å; W1542-W1612 AromaticContact CD2-CD1 3.73Å; W1542-W1612 AromaticContact CD2-CD2 3.78Å; W1542-W1612 HydrophobicContact CD2-CD2 3.78Å; W1542-W1612 HydrophobicContact CD2-CE3 4.3Å; W1542-W1612 AromaticContact CD2-CG 3.5Å; W1542-W1612 HydrophobicContact CD2-CG 3.5Å; W1542-W1612 HydrophobicContact CE3-CB 3.61Å; W1542-W1612 AromaticContact CE3-CD2 3.61Å; W1542-W1612 HydrophobicContact CE3-CD2 3.61Å; W1542-W1612 AromaticContact CE3-CE3 3.68Å; W1542-W1612 HydrophobicContact CE3-CE3 3.68Å; W1542-W1612 AromaticContact CE3-CG 3.56Å; W1542-W1612 HydrophobicContact CE3-CG 3.56Å; W1542-W1612 AromaticContact CG-CD1 3.61Å; W1542-W1612 AromaticContact CG-CD2 3.89Å; W1542-W1612 HydrophobicContact CG-CD2 3.89Å; W1542-W1612 AromaticContact CG-CE2 3.87Å; W1542-W1612 AromaticContact CG-CG 3.82Å; W1542-W1612 HydrophobicContact CG-CG 3.82Å; W1542-W1612 AromaticContact CG-NE1 3.68Å; W1542-W1612 HydrophobicContact CH2-CB 3.92Å; W1542-W1612 HydrophobicContact CZ2-CB 4.07Å; W1542-W1612 HydrophobicContact CZ3-CB 3.68Å; W1542-W1612 HydrophobicContact CZ3-CD2 4.47Å; W1542-W1612 HydrophobicContact CZ3-CE3 4.43Å; W1542-W1612 HydrophobicContact CZ3-CG 4.17Å; W1542-E1615 HydrophobicContact CZ2-CB 4.09Å; W1542-E1615 PolarHBondContact NE1-OE2 3.29Å; W1542-T1616 VanDerWaalsContact CH2-OG1 3.31Å; W1542-T1616 WeakPolarHBondContact CH2-OG1 3.24Å |
| 1543 | L | 81.5 | Confident | 76.4 | Confident | 58 Ų | 58 | 39.2 Ų | 39.2 | 30% | 0.304 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -70.8 | -37.5 | -176.7 | -68.2 | 176.1 | 0 | 0 | 0 | 113.6 | V1532 L1535 D1539 Q1540 M1547 P1548 | V1532-L1543 HydrophobicContact CG2-CD1 4.48Å; L1535-L1543 HydrophobicContact CD1-CD1 3.27Å; D1539-L1543 PolarHBondContact O-N 2.79Å; Q1540-L1543 PolarHBondContact O-N 3.49Å; L1543-M1547 HydrophobicContact CD2-SD 3.62Å; L1543-P1548 VanDerWaalsContact O-CD 3.26Å; L1543-P1548 WeakPolarHBondContact O-CD 3.3Å; L1543-P1548 WeakPolarHBondContact O-CG 3.46Å |
| 1544 | R | 83.4 | Confident | 78.1 | Confident | 33 Ų | 33 | 35 Ų | 35 | 13% | 0.125 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -87.3 | -27 | -175.8 | -59.6 | -170.6 | 108.4 | -173.7 | -2.5 | 113.3 | D1462 F1464 F1505 V1532 Y1533 Q1540 | D1462-R1544 IonicContact OD1-CZ 2.69Å; D1462-R1544 IonicContact OD1-NH1 3.61Å; D1462-R1544 IonicContact OD1-NH2 3.73Å; D1462-R1544 PolarHBondContact OD1-NH2 3.3Å; F1464-R1544 WeakPolarHBondContact CD1-O 3.38Å; F1505-R1544 HydrophobicContact CD1-CB 4.12Å; V1532-R1544 HydrophobicContact CG1-CG 4.12Å; Y1533-R1544 PolarHBondContact OH-NH2 2.89Å; Q1540-R1544 VanDerWaalsContact O-CB 3.29Å; Q1540-R1544 WeakPolarHBondContact O-CB 3.34Å; Q1540-R1544 WeakPolarHBondContact O-CG 3.2Å; Q1540-R1544 PolarHBondContact O-N 2.91Å |
| 1545 | G | 88 | Confident | 79.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -116.1 | -72.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1541 P1548 V1549 | I1541-G1545 VanDerWaalsContact O-CA 3.3Å; I1541-G1545 WeakPolarHBondContact O-CA 3.26Å; I1541-G1545 PolarHBondContact O-N 2.75Å; G1545-P1548 WeakPolarHBondContact O-CD 3.46Å; G1545-V1549 WeakPolarHBondContact O-CG2 3.26Å |
| 1546 | W | 89.6 | Confident | 81.1 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -68.2 | -45.3 | -168.6 | -72.8 | 118.2 | 0 | 0 | 0 | 114 | A1495 V1498 A1499 I1541 W1542 V1549 L1550 I1600 H1604 F1608 | A1495-W1546 HydrophobicContact CB-CZ3 4.22Å; V1498-W1546 HydrophobicContact CG1-CD2 3.98Å; V1498-W1546 HydrophobicContact CG1-CG 4.22Å; V1498-W1546 HydrophobicContact CG1-CZ2 4.14Å; A1499-W1546 HydrophobicContact CB-CH2 3.87Å; A1499-W1546 HydrophobicContact CB-CZ2 3.86Å; I1541-W1546 PolarHBondContact O-N 3.01Å; I1541-W1546 VanDerWaalsContact O-N 3.16Å; W1542-W1546 HydrophobicContact CD2-CB 4.46Å; W1542-W1546 HydrophobicContact CE3-CB 3.49Å; W1542-W1546 VanDerWaalsContact CE3-CB 3.49Å; W1542-W1546 HydrophobicContact CE3-CG 4.29Å; W1542-W1546 HydrophobicContact CZ3-CB 3.68Å; W1542-W1546 PolarHBondContact O-N 3.21Å; W1546-V1549 PolarHBondContact O-N 3.23Å; W1546-L1550 VanDerWaalsContact O-CG 3.32Å; W1546-L1550 WeakPolarHBondContact O-CG 3.22Å; W1546-L1550 PolarHBondContact O-N 3.15Å; W1546-I1600 HydrophobicContact CE3-CG2 4.35Å; W1546-I1600 HydrophobicContact CZ3-CG2 3.65Å; W1546-H1604 HydrophobicContact CH2-CB 3.32Å; W1546-H1604 AromaticContact CH2-CD2 3.71Å; W1546-H1604 AromaticContact CH2-CG 3.57Å; W1546-H1604 HydrophobicContact CZ2-CB 3.82Å; W1546-H1604 HydrophobicContact CZ3-CB 4.12Å; W1546-F1608 HydrophobicContact CB-CZ 4.44Å; W1546-F1608 AromaticContact CD2-CE1 3.52Å; W1546-F1608 HydrophobicContact CD2-CE1 3.52Å; W1546-F1608 AromaticContact CD2-CZ 3.77Å; W1546-F1608 HydrophobicContact CD2-CZ 3.77Å; W1546-F1608 AromaticContact CE2-CE1 3.62Å; W1546-F1608 AromaticContact CE3-CE1 3.83Å; W1546-F1608 HydrophobicContact CE3-CE1 3.83Å; W1546-F1608 AromaticContact CE3-CZ 3.74Å; W1546-F1608 HydrophobicContact CE3-CZ 3.74Å; W1546-F1608 AromaticContact CG-CE1 3.93Å; W1546-F1608 HydrophobicContact CG-CE1 3.93Å; W1546-F1608 HydrophobicContact CG-CZ 4.09Å; W1546-F1608 HydrophobicContact CH2-CE1 4.33Å; W1546-F1608 HydrophobicContact CZ2-CE1 4.04Å; W1546-F1608 HydrophobicContact CZ3-CE1 4.23Å; W1546-F1608 HydrophobicContact CZ3-CZ 4.32Å; W1546-F1608 AromaticContact NE1-CE1 3.98Å |
| 1547 | M | 86.4 | Confident | 82.2 | Confident | 49 Ų | 49 | 22.6 Ų | 22.6 | 24% | 0.241 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.1 | -49.8 | -177.1 | 178.8 | -168.6 | -175.4 | 0 | 0 | 111.9 | W1542 L1543 V1549 L1550 C1551 | W1542-M1547 HydrophobicContact CD2-CB 4.45Å; W1542-M1547 WeakPolarHBondContact O-CB 3.32Å; W1542-M1547 PolarHBondContact O-N 3.35Å; L1543-M1547 HydrophobicContact CD2-SD 3.62Å; M1547-V1549 VanDerWaalsContact C-N 3.31Å; M1547-V1549 PolarHBondContact O-N 3.32Å; M1547-L1550 PolarHBondContact O-N 3.2Å; M1547-C1551 WeakPolarHBondContact O-CB 3.13Å; M1547-C1551 PolarHBondContact O-N 3.14Å; M1547-C1551 PolarHBondContact O-SG 3.01Å |
| 1548 | P | 86.8 | Confident | 82.8 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 5% | 0.045 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -53.1 | -44.6 | 173.7 | -29.4 | 35.2 | 0 | 0 | 0 | 113.7 | Q1465 L1543 G1545 E1552 | Q1465-P1548 HydrophobicContact CB-CB 4.15Å; Q1465-P1548 HydrophobicContact CB-CG 4Å; Q1465-P1548 HydrophobicContact CG-CB 4.08Å; Q1465-P1548 HydrophobicContact CG-CG 4.06Å; L1543-P1548 VanDerWaalsContact O-CD 3.26Å; L1543-P1548 WeakPolarHBondContact O-CD 3.3Å; L1543-P1548 WeakPolarHBondContact O-CG 3.46Å; G1545-P1548 WeakPolarHBondContact O-CD 3.46Å; P1548-E1552 VanDerWaalsContact O-CB 3.26Å; P1548-E1552 WeakPolarHBondContact O-CB 3.5Å; P1548-E1552 WeakPolarHBondContact O-CG 3.37Å; P1548-E1552 PolarHBondContact O-N 3.25Å; P1548-E1552 VanDerWaalsContact O-N 3.09Å |
| 1549 | V | 91.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.5 | -49.8 | -179.7 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | F1464 V1468 I1491 C1494 A1495 G1545 W1546 M1547 L1553 I1600 | F1464-V1549 HydrophobicContact CE1-CG2 3.8Å; F1464-V1549 HydrophobicContact CZ-CG2 3.75Å; V1468-V1549 HydrophobicContact CG2-CG2 4.28Å; I1491-V1549 HydrophobicContact CG2-CG1 4.04Å; C1494-V1549 HydrophobicContact CB-CG2 4.48Å; A1495-V1549 HydrophobicContact CB-CG1 3.87Å; G1545-V1549 WeakPolarHBondContact O-CG2 3.26Å; W1546-V1549 PolarHBondContact O-N 3.23Å; M1547-V1549 VanDerWaalsContact C-N 3.31Å; M1547-V1549 PolarHBondContact O-N 3.32Å; V1549-L1553 HydrophobicContact CG1-CD1 4.02Å; V1549-L1553 WeakPolarHBondContact O-CB 3.47Å; V1549-L1553 WeakPolarHBondContact O-CG 3.39Å; V1549-L1553 PolarHBondContact O-N 3.21Å; V1549-I1600 HydrophobicContact CG1-CD1 4.17Å |
| 1550 | L | 89.4 | Confident | 82.1 | Confident | 7 Ų | 7 | 17 Ų | 17 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.7 | -42.3 | -176.2 | -65.6 | 174.3 | 0 | 0 | 0 | 111.8 | W1542 W1546 M1547 F1554 F1597 I1600 L1601 F1608 | W1542-L1550 HydrophobicContact CH2-CD1 3.74Å; W1542-L1550 HydrophobicContact CZ3-CD1 3.8Å; W1546-L1550 VanDerWaalsContact O-CG 3.32Å; W1546-L1550 WeakPolarHBondContact O-CG 3.22Å; W1546-L1550 PolarHBondContact O-N 3.15Å; M1547-L1550 PolarHBondContact O-N 3.2Å; L1550-F1554 VanDerWaalsContact O-CB 3.25Å; L1550-F1554 WeakPolarHBondContact O-CB 3.45Å; L1550-F1554 PolarHBondContact O-N 3.2Å; L1550-F1597 HydrophobicContact CB-CE2 4.07Å; L1550-F1597 HydrophobicContact CD2-CD2 4.02Å; L1550-F1597 HydrophobicContact CD2-CE2 3.77Å; L1550-F1597 HydrophobicContact CD2-CZ 4.47Å; L1550-F1597 HydrophobicContact CG-CE2 4.49Å; L1550-I1600 HydrophobicContact CD2-CG2 4.18Å; L1550-L1601 HydrophobicContact CD1-CD2 4.27Å; L1550-L1601 HydrophobicContact CD2-CD2 3.93Å; L1550-F1608 HydrophobicContact CD1-CE2 3.7Å; L1550-F1608 HydrophobicContact CD1-CZ 3.9Å |
| 1551 | C | 84.2 | Confident | 80.7 | Confident | 23 Ų | 23 | 19.6 Ų | 19.6 | 16% | 0.155 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.7 | -43.6 | 178.7 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | M1547 F1554 R1555 | M1547-C1551 WeakPolarHBondContact O-CB 3.13Å; M1547-C1551 PolarHBondContact O-N 3.14Å; M1547-C1551 PolarHBondContact O-SG 3.01Å; C1551-F1554 WeakPolarHBondContact O-CB 3.48Å; C1551-F1554 PolarHBondContact O-N 3.05Å; C1551-R1555 PolarHBondContact O-N 3.37Å |
| 1552 | E | 86.3 | Confident | 79.1 | Confident | 6 Ų | 6 | 19.7 Ų | 19.7 | 3% | 0.028 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -73.6 | -36.2 | -179.5 | -67.9 | -58.1 | 144.3 | 0 | 0 | 112.3 | V1468 K1469 A1472 P1548 F1554 R1555 I1556 | V1468-E1552 HydrophobicContact CG1-CB 3.7Å; V1468-E1552 HydrophobicContact CG1-CG 3.85Å; K1469-E1552 HydrophobicContact CG-CG 4.1Å; K1469-E1552 WeakPolarHBondContact CG-OE1 3.43Å; A1472-E1552 HydrophobicContact CB-CB 3.77Å; A1472-E1552 HydrophobicContact CB-CG 4.39Å; A1472-E1552 WeakPolarHBondContact CB-OE2 3.49Å; P1548-E1552 VanDerWaalsContact O-CB 3.26Å; P1548-E1552 WeakPolarHBondContact O-CB 3.5Å; P1548-E1552 WeakPolarHBondContact O-CG 3.37Å; P1548-E1552 PolarHBondContact O-N 3.25Å; P1548-E1552 VanDerWaalsContact O-N 3.09Å; E1552-F1554 VanDerWaalsContact C-N 3.27Å; E1552-F1554 PolarHBondContact O-N 3.47Å; E1552-R1555 WeakPolarHBondContact O-CB 3.47Å; E1552-R1555 PolarHBondContact O-N 2.9Å; E1552-R1555 IonicContact OE2-CZ 2.68Å; E1552-R1555 IonicContact OE2-NE 3.43Å; E1552-R1555 PolarHBondContact OE2-NE 3.22Å; E1552-R1555 IonicContact OE2-NH2 3.64Å; E1552-R1555 PolarHBondContact OE2-NH2 3.34Å; E1552-I1556 WeakPolarHBondContact O-CG1 3.39Å; E1552-I1556 PolarHBondContact O-N 3.21Å; E1552-I1556 VanDerWaalsContact O-N 3.1Å |
| 1553 | L | 88.3 | Confident | 77.4 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 168 | -79.2 | 171.2 | 0 | 0 | 0 | 111.7 | I1488 I1491 V1549 I1556 I1557 V1596 F1597 I1600 | I1488-L1553 HydrophobicContact CG2-CD2 4.49Å; I1491-L1553 HydrophobicContact CB-CD2 4.26Å; I1491-L1553 HydrophobicContact CD1-CD2 4.37Å; I1491-L1553 HydrophobicContact CG2-CD1 3.96Å; I1491-L1553 HydrophobicContact CG2-CD2 3.77Å; I1491-L1553 HydrophobicContact CG2-CG 3.65Å; V1549-L1553 HydrophobicContact CG1-CD1 4.02Å; V1549-L1553 WeakPolarHBondContact O-CB 3.47Å; V1549-L1553 WeakPolarHBondContact O-CG 3.39Å; V1549-L1553 PolarHBondContact O-N 3.21Å; L1553-I1556 HydrophobicContact CD2-CD1 4.41Å; L1553-I1556 WeakPolarHBondContact O-CB 3.47Å; L1553-I1556 PolarHBondContact O-N 3.16Å; L1553-I1557 WeakPolarHBondContact O-CD1 3.33Å; L1553-I1557 VanDerWaalsContact O-CG1 3.3Å; L1553-I1557 WeakPolarHBondContact O-CG1 3.45Å; L1553-I1557 PolarHBondContact O-N 2.76Å; L1553-I1557 VanDerWaalsContact O-N 3.14Å; L1553-V1596 HydrophobicContact CD1-CG1 4.18Å; L1553-V1596 HydrophobicContact CD2-CG1 4.2Å; L1553-F1597 HydrophobicContact CB-CB 4.49Å; L1553-F1597 HydrophobicContact CB-CD2 4.09Å; L1553-I1600 HydrophobicContact CD1-CD1 3.44Å; L1553-I1600 VanDerWaalsContact CD1-CD1 3.44Å |
| 1554 | F | 84.3 | Confident | 76 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 2% | 0.022 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.2 | -34.9 | 177.4 | -162.5 | -103.3 | 0 | 0 | 0 | 112.9 | L1550 C1551 E1552 I1556 I1557 N1558 I1566 V1619 R1622 V1623 | L1550-F1554 VanDerWaalsContact O-CB 3.25Å; L1550-F1554 WeakPolarHBondContact O-CB 3.45Å; L1550-F1554 PolarHBondContact O-N 3.2Å; C1551-F1554 WeakPolarHBondContact O-CB 3.48Å; C1551-F1554 PolarHBondContact O-N 3.05Å; E1552-F1554 VanDerWaalsContact C-N 3.27Å; E1552-F1554 PolarHBondContact O-N 3.47Å; F1554-I1556 VanDerWaalsContact C-N 3.33Å; F1554-I1556 PolarHBondContact O-N 2.96Å; F1554-I1557 PolarHBondContact O-N 3.04Å; F1554-I1557 VanDerWaalsContact O-N 3.17Å; F1554-N1558 HydrophobicContact CE1-CB 4.41Å; F1554-N1558 WeakPolarHBondContact CE1-ND2 3.24Å; F1554-N1558 WeakPolarHBondContact CZ-ND2 3.42Å; F1554-N1558 PolarHBondContact O-N 3.35Å; F1554-I1566 HydrophobicContact CD1-CD1 3.89Å; F1554-I1566 HydrophobicContact CE1-CD1 3.97Å; F1554-V1619 HydrophobicContact CB-CG1 4.02Å; F1554-V1619 HydrophobicContact CD1-CG1 3.29Å; F1554-V1619 HydrophobicContact CD2-CG1 3.69Å; F1554-V1619 HydrophobicContact CE1-CG1 3.44Å; F1554-V1619 VanDerWaalsContact CE1-CG1 3.44Å; F1554-V1619 WeakPolarHBondContact CE1-O 3.44Å; F1554-V1619 HydrophobicContact CE2-CG1 3.85Å; F1554-V1619 HydrophobicContact CG-CG1 3.39Å; F1554-V1619 HydrophobicContact CZ-CG1 3.71Å; F1554-V1619 WeakPolarHBondContact CZ-O 3.39Å; F1554-R1622 HydrophobicContact CE1-CB 4.29Å; F1554-R1622 HydrophobicContact CZ-CB 4.21Å; F1554-V1623 HydrophobicContact CE2-CG2 3.49Å; F1554-V1623 VanDerWaalsContact CE2-CG2 3.49Å; F1554-V1623 HydrophobicContact CZ-CG2 3.69Å |
| 1555 | R | 81.7 | Confident | 74.2 | Confident | 9 Ų | 9 | 22.3 Ų | 22.3 | 3% | 0.034 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 171.6 | -172.2 | 179.7 | 70.1 | 96.5 | -10.6 | 111.4 | A1472 E1473 C1551 E1552 I1557 G1559 Y1563 | A1472-R1555 VanDerWaalsContact CB-NH2 3.29Å; E1473-R1555 IonicContact OE2-CZ 3.7Å; E1473-R1555 IonicContact OE2-NH1 3.08Å; E1473-R1555 PolarHBondContact OE2-NH1 2.88Å; E1473-R1555 IonicContact OE2-NH2 2.63Å; E1473-R1555 PolarHBondContact OE2-NH2 3.01Å; C1551-R1555 PolarHBondContact O-N 3.37Å; E1552-R1555 WeakPolarHBondContact O-CB 3.47Å; E1552-R1555 PolarHBondContact O-N 2.9Å; E1552-R1555 IonicContact OE2-CZ 2.68Å; E1552-R1555 IonicContact OE2-NE 3.43Å; E1552-R1555 PolarHBondContact OE2-NE 3.22Å; E1552-R1555 IonicContact OE2-NH2 3.64Å; E1552-R1555 PolarHBondContact OE2-NH2 3.34Å; R1555-I1557 VanDerWaalsContact C-N 3.3Å; R1555-I1557 PolarHBondContact O-N 3.38Å; R1555-G1559 WeakPolarHBondContact O-CA 3.47Å; R1555-G1559 PolarHBondContact O-N 3.49Å; R1555-Y1563 HydrophobicContact CB-CD2 4.11Å; R1555-Y1563 HydrophobicContact CG-CD2 4.17Å; R1555-Y1563 HydrophobicContact CG-CG 4.2Å |
| 1556 | I | 83.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 174.9 | -62.9 | 161.5 | 0 | 0 | 0 | 111.1 | A1472 A1475 I1488 I1491 E1552 L1553 F1554 V1589 | A1472-I1556 HydrophobicContact CB-CD1 3.9Å; A1472-I1556 HydrophobicContact CB-CG1 4Å; A1475-I1556 HydrophobicContact CB-CD1 3.53Å; A1475-I1556 HydrophobicContact CB-CG1 3.84Å; A1475-I1556 HydrophobicContact CB-CG2 4.29Å; I1488-I1556 HydrophobicContact CD1-CG2 4.25Å; I1488-I1556 HydrophobicContact CG1-CD1 4.26Å; I1491-I1556 HydrophobicContact CD1-CD1 3.7Å; E1552-I1556 WeakPolarHBondContact O-CG1 3.39Å; E1552-I1556 PolarHBondContact O-N 3.21Å; E1552-I1556 VanDerWaalsContact O-N 3.1Å; L1553-I1556 HydrophobicContact CD2-CD1 4.41Å; L1553-I1556 WeakPolarHBondContact O-CB 3.47Å; L1553-I1556 PolarHBondContact O-N 3.16Å; F1554-I1556 VanDerWaalsContact C-N 3.33Å; F1554-I1556 PolarHBondContact O-N 2.96Å; I1556-V1589 HydrophobicContact CG2-CG1 4Å |
| 1557 | I | 80.4 | Confident | 70.5 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69 | -47.6 | -178.2 | -65.8 | 160.4 | 0 | 0 | 0 | 111.6 | L1553 F1554 R1555 R1590 L1594 F1597 W1687 T1691 | L1553-I1557 WeakPolarHBondContact O-CD1 3.33Å; L1553-I1557 VanDerWaalsContact O-CG1 3.3Å; L1553-I1557 WeakPolarHBondContact O-CG1 3.45Å; L1553-I1557 PolarHBondContact O-N 2.76Å; L1553-I1557 VanDerWaalsContact O-N 3.14Å; F1554-I1557 PolarHBondContact O-N 3.04Å; F1554-I1557 VanDerWaalsContact O-N 3.17Å; R1555-I1557 VanDerWaalsContact C-N 3.3Å; R1555-I1557 PolarHBondContact O-N 3.38Å; I1557-R1590 HydrophobicContact CG2-CG 4.37Å; I1557-R1590 WeakPolarHBondContact O-CD 3.5Å; I1557-L1594 HydrophobicContact CD1-CB 4.29Å; I1557-L1594 HydrophobicContact CD1-CD1 3.88Å; I1557-L1594 HydrophobicContact CG1-CB 4.4Å; I1557-L1594 HydrophobicContact CG1-CD1 4.47Å; I1557-L1594 HydrophobicContact CG2-CD1 4.09Å; I1557-F1597 HydrophobicContact CD1-CB 3.97Å; I1557-F1597 HydrophobicContact CD1-CG 4.27Å; I1557-W1687 VanDerWaalsContact O-CH2 3.3Å; I1557-W1687 WeakPolarHBondContact O-CH2 3.28Å; I1557-T1691 HydrophobicContact CG2-CG2 4.29Å |
| 1558 | N | 70.7 | Confident | 68.6 | Low | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -102 | -11.8 | -167.6 | -83.7 | -11.7 | 0 | 0 | 0 | 115.9 | F1554 I1562 W1687 | F1554-N1558 HydrophobicContact CE1-CB 4.41Å; F1554-N1558 WeakPolarHBondContact CE1-ND2 3.24Å; F1554-N1558 WeakPolarHBondContact CZ-ND2 3.42Å; F1554-N1558 PolarHBondContact O-N 3.35Å; N1558-I1562 HydrophobicContact CB-CD1 4.18Å; N1558-W1687 VanDerWaalsContact OD1-CH2 3.26Å; N1558-W1687 WeakPolarHBondContact OD1-CH2 3.28Å; N1558-W1687 WeakPolarHBondContact OD1-CZ2 3.39Å |
| 1559 | G | 64.6 | Low | 66.7 | Low | 20 Ų | 20 | 33.4 Ų | 33.4 | 21% | 0.206 | 18% | 0.183 | C | C | . | . | trans | 70.1 | 171.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1555 V1561 | R1555-G1559 WeakPolarHBondContact O-CA 3.47Å; R1555-G1559 PolarHBondContact O-N 3.49Å; G1559-V1561 PolarHBondContact O-N 3.1Å | ||
| 1560 | Y | 55.3 | Low | 64.6 | Low | 92 Ų | 92 | 36.7 Ų | 36.7 | 36% | 0.361 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.2 | -29.8 | -162 | -127.3 | -90.2 | 0 | 0 | 0 | 115.6 | I1562 Y1563 L1564 C1576 | Y1560-I1562 VanDerWaalsContact C-N 3.34Å; Y1560-I1562 PolarHBondContact O-N 3.3Å; Y1560-Y1563 WeakPolarHBondContact O-CB 3.46Å; Y1560-Y1563 PolarHBondContact O-N 3.09Å; Y1560-L1564 HydrophobicContact CD1-CD1 4.29Å; Y1560-L1564 HydrophobicContact CE1-CD1 4.3Å; Y1560-L1564 PolarHBondContact O-N 3Å; Y1560-C1576 VanDerWaalsContact CE1-SG 3.52Å; Y1560-C1576 PolarHBondContact OH-SG 3.34Å |
| 1561 | V | 50.5 | Low | 62 | Low | 68 Ų | 68 | 44.2 Ų | 44.2 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.2 | -35.1 | -169.6 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | G1559 | G1559-V1561 PolarHBondContact O-N 3.1Å |
| 1562 | I | 51.2 | Low | 59.5 | Low | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -82.2 | -32.4 | 178.4 | -61.9 | 176.1 | 0 | 0 | 0 | 110.9 | N1558 Y1560 L1564 S1565 I1566 R1622 H1626 | N1558-I1562 HydrophobicContact CB-CD1 4.18Å; Y1560-I1562 VanDerWaalsContact C-N 3.34Å; Y1560-I1562 PolarHBondContact O-N 3.3Å; I1562-L1564 PolarHBondContact O-N 3.37Å; I1562-S1565 WeakPolarHBondContact O-CB 3.3Å; I1562-S1565 PolarHBondContact O-N 3.3Å; I1562-S1565 VanDerWaalsContact O-N 3.13Å; I1562-I1566 HydrophobicContact CG2-CD1 4.21Å; I1562-I1566 HydrophobicContact CG2-CG1 4.43Å; I1562-I1566 WeakPolarHBondContact O-CG1 3.5Å; I1562-I1566 PolarHBondContact O-N 3.37Å; I1562-I1566 VanDerWaalsContact O-N 3.1Å; I1562-R1622 HydrophobicContact CG2-CB 3.9Å; I1562-R1622 HydrophobicContact CG2-CG 4.47Å; I1562-H1626 WeakPolarHBondContact CD1-NE2 3.26Å |
| 1563 | Y | 49.4 | Very low | 56.8 | Low | 36 Ų | 36 | 57.8 Ų | 57.8 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | 179.9 | 179.2 | -97.8 | 0 | 0 | 0 | 112.1 | R1555 Y1560 S1565 I1566 C1567 | R1555-Y1563 HydrophobicContact CB-CD2 4.11Å; R1555-Y1563 HydrophobicContact CG-CD2 4.17Å; R1555-Y1563 HydrophobicContact CG-CG 4.2Å; Y1560-Y1563 WeakPolarHBondContact O-CB 3.46Å; Y1560-Y1563 PolarHBondContact O-N 3.09Å; Y1563-S1565 VanDerWaalsContact C-N 3.25Å; Y1563-S1565 PolarHBondContact O-N 2.96Å; Y1563-I1566 WeakPolarHBondContact O-CA 3.5Å; Y1563-I1566 WeakPolarHBondContact O-CB 3.21Å; Y1563-I1566 PolarHBondContact O-N 2.86Å; Y1563-C1567 WeakPolarHBondContact CE1-SG 3.46Å; Y1563-C1567 PolarHBondContact O-N 3.48Å |
| 1564 | L | 50.8 | Low | 54.1 | Low | 75 Ų | 75 | 64.2 Ų | 64.2 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -37.6 | 176.9 | -128.3 | 89.2 | 0 | 0 | 0 | 112.4 | Y1560 I1562 I1566 N1568 C1576 | Y1560-L1564 HydrophobicContact CD1-CD1 4.29Å; Y1560-L1564 HydrophobicContact CE1-CD1 4.3Å; Y1560-L1564 PolarHBondContact O-N 3Å; I1562-L1564 PolarHBondContact O-N 3.37Å; L1564-I1566 VanDerWaalsContact C-N 3.32Å; L1564-N1568 WeakPolarHBondContact O-CB 3.27Å; L1564-N1568 PolarHBondContact O-N 3.42Å; L1564-N1568 VanDerWaalsContact O-N 3.09Å; L1564-C1576 HydrophobicContact CD1-CB 4.02Å |
| 1565 | S | 46.8 | Very low | 51.5 | Low | 49 Ų | 49 | 71.2 Ų | 71.2 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.8 | -23.1 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | I1562 Y1563 R1622 | I1562-S1565 WeakPolarHBondContact O-CB 3.3Å; I1562-S1565 PolarHBondContact O-N 3.3Å; I1562-S1565 VanDerWaalsContact O-N 3.13Å; Y1563-S1565 VanDerWaalsContact C-N 3.25Å; Y1563-S1565 PolarHBondContact O-N 2.96Å; S1565-R1622 PolarHBondContact O-NH1 3.06Å; S1565-R1622 VanDerWaalsContact O-NH1 3.07Å; S1565-R1622 PolarHBondContact OG-NH1 3.16Å |
| 1566 | I | 49 | Very low | 49 | Very low | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.051 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74.2 | -48.1 | 173.9 | -64.6 | 168.1 | 0 | 0 | 0 | 109.2 | F1554 I1562 Y1563 L1564 N1568 L1569 L1570 V1619 R1622 | F1554-I1566 HydrophobicContact CD1-CD1 3.89Å; F1554-I1566 HydrophobicContact CE1-CD1 3.97Å; I1562-I1566 HydrophobicContact CG2-CD1 4.21Å; I1562-I1566 HydrophobicContact CG2-CG1 4.43Å; I1562-I1566 WeakPolarHBondContact O-CG1 3.5Å; I1562-I1566 PolarHBondContact O-N 3.37Å; I1562-I1566 VanDerWaalsContact O-N 3.1Å; Y1563-I1566 WeakPolarHBondContact O-CA 3.5Å; Y1563-I1566 WeakPolarHBondContact O-CB 3.21Å; Y1563-I1566 PolarHBondContact O-N 2.86Å; L1564-I1566 VanDerWaalsContact C-N 3.32Å; I1566-N1568 VanDerWaalsContact C-N 3.35Å; I1566-N1568 PolarHBondContact O-N 3.24Å; I1566-L1569 PolarHBondContact O-N 2.86Å; I1566-L1570 HydrophobicContact CG2-CD1 4.22Å; I1566-L1570 PolarHBondContact O-N 2.88Å; I1566-V1619 HydrophobicContact CD1-CG1 4.3Å; I1566-R1622 VanDerWaalsContact CA-NH1 3.26Å |
| 1567 | C | 49.7 | Very low | 46.5 | Very low | 47 Ų | 47 | 77.7 Ų | 77.7 | 32% | 0.318 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 179.1 | -65.5 | 0 | 0 | 0 | 0 | 112 | Y1563 L1569 L1570 F1571 | Y1563-C1567 WeakPolarHBondContact CE1-SG 3.46Å; Y1563-C1567 PolarHBondContact O-N 3.48Å; C1567-L1569 VanDerWaalsContact C-N 3.26Å; C1567-L1569 PolarHBondContact O-N 3.36Å; C1567-L1570 PolarHBondContact O-N 3.47Å; C1567-F1571 PolarHBondContact O-N 3.38Å; C1567-F1571 VanDerWaalsContact O-O 3.04Å |
| 1568 | N | 47.1 | Very low | 44.2 | Very low | 123 Ų | 123 | 82.9 Ų | 82.9 | 66% | 0.658 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -66.2 | -24.4 | 178.9 | -75.8 | -14.4 | 0 | 0 | 0 | 114.2 | L1564 I1566 | L1564-N1568 WeakPolarHBondContact O-CB 3.27Å; L1564-N1568 PolarHBondContact O-N 3.42Å; L1564-N1568 VanDerWaalsContact O-N 3.09Å; I1566-N1568 VanDerWaalsContact C-N 3.35Å; I1566-N1568 PolarHBondContact O-N 3.24Å |
| 1569 | L | 46.1 | Very low | 42.3 | Very low | 109 Ų | 109 | 90.1 Ų | 90.1 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -91.2 | -23.7 | -178.1 | -116.1 | 140.3 | 0 | 0 | 0 | 113.4 | I1566 C1567 | I1566-L1569 PolarHBondContact O-N 2.86Å; C1567-L1569 VanDerWaalsContact C-N 3.26Å; C1567-L1569 PolarHBondContact O-N 3.36Å |
| 1570 | L | 46.6 | Very low | 40.6 | Very low | 70 Ų | 70 | 95 Ų | 95 | 37% | 0.366 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -100.6 | -31.1 | -174.1 | -88.6 | 160.1 | 0 | 0 | 0 | 114.4 | I1566 C1567 | I1566-L1570 HydrophobicContact CG2-CD1 4.22Å; I1566-L1570 PolarHBondContact O-N 2.88Å; C1567-L1570 PolarHBondContact O-N 3.47Å |
| 1571 | F | 35.7 | Very low | 39.7 | Very low | 165 Ų | 165 | 93.3 Ų | 93.3 | 72% | 0.724 | 52% | 0.522 | S | S | * | . | trans | -163 | 132.2 | 172 | -113.8 | -90.9 | 0 | 0 | 0 | 109.6 | C1567 | C1567-F1571 PolarHBondContact O-N 3.38Å; C1567-F1571 VanDerWaalsContact O-O 3.04Å | ||
| 1572 | F | 30.8 | Very low | 39.1 | Very low | 196 Ų | 196 | 94.6 Ų | 94.6 | 86% | 0.86 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -55.2 | 139.2 | 172 | -137.4 | -99.8 | 0 | 0 | 0 | 109.4 | ||
| 1573 | V | 30.6 | Very low | 38.8 | Very low | 117 Ų | 117 | 102.3 Ų | 102.3 | 71% | 0.709 | 56% | 0.556 | S | S | * | * | trans | 88.4 | 100.2 | 173.6 | -165.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1574 | I | 32.4 | Very low | 39.1 | Very low | 136 Ų | 136 | 103.7 Ų | 103.7 | 70% | 0.697 | 56% | 0.563 | S | S | * | * | -165.2 | 116.8 | 112 | -86.1 | 154 | 0 | 0 | 0 | 106.7 | C1576 | I1574-C1576 PolarHBondContact O-N 2.95Š| |||
| 1575 | N | 28.6 | Very low | 39.6 | Very low | 152 Ų | 152 | 101 Ų | 101 | 81% | 0.813 | 55% | 0.55 | S | S | * | . | trans | -61.1 | 99.8 | 171.2 | -102.8 | -44.4 | 0 | 0 | 0 | 109.2 | S1577 | N1575-S1577 PolarHBondContact O-N 2.85Š| ||
| 1576 | C | 29.7 | Very low | 40.7 | Very low | 46 Ų | 46 | 103.4 Ų | 103.4 | 31% | 0.311 | 55% | 0.554 | S | S | . | * | trans | -91 | 85.6 | 168.1 | -163.6 | 0 | 0 | 0 | 0 | 108.1 | Y1560 L1564 I1574 | Y1560-C1576 VanDerWaalsContact CE1-SG 3.52Å; Y1560-C1576 PolarHBondContact OH-SG 3.34Å; L1564-C1576 HydrophobicContact CD1-CB 4.02Å; I1574-C1576 PolarHBondContact O-N 2.95Å | ||
| 1577 | S | 31.4 | Very low | 42 | Very low | 98 Ų | 98 | 106.2 Ų | 106.2 | 69% | 0.685 | 57% | 0.569 | S | S | * | * | trans | -94.5 | 4.1 | -173 | -34.3 | 0 | 0 | 0 | 0 | 114.7 | N1575 | N1575-S1577 PolarHBondContact O-N 2.85Š| ||
| 1578 | T | 30.2 | Very low | 43.4 | Very low | 113 Ų | 113 | 107.5 Ų | 107.5 | 69% | 0.693 | 57% | 0.573 | S | S | * | * | trans | -106.2 | 120.5 | -170.7 | 39.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1579 | L | 32.2 | Very low | 45.1 | Very low | 156 Ų | 156 | 101.9 Ų | 101.9 | 82% | 0.817 | 54% | 0.543 | S | S | * | . | trans | 61.7 | 92.9 | 157.7 | -108.6 | 71.3 | 0 | 0 | 0 | 120.3 | A1581 | L1579-A1581 PolarHBondContact O-N 3.31Š| ||
| 1580 | S | 28.9 | Very low | 47 | Very low | 122 Ų | 122 | 97.2 Ų | 97.2 | 85% | 0.853 | 52% | 0.517 | S | S | * | . | trans | -41.5 | 112.4 | 144.5 | 151.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1581 | A | 36.3 | Very low | 48.8 | Very low | 57 Ų | 57 | 96.1 Ų | 96.1 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | trans | -160.1 | 118.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L1579 Y1583 | L1579-A1581 PolarHBondContact O-N 3.31Å; A1581-Y1583 HydrophobicContact CB-CD2 3.46Å; A1581-Y1583 VanDerWaalsContact CB-CD2 3.46Å; A1581-Y1583 HydrophobicContact CB-CE2 3.25Å; A1581-Y1583 PolarHBondContact O-N 3.16Å | ||
| 1582 | N | 37.9 | Very low | 51.3 | Low | 96 Ų | 96 | 93.4 Ų | 93.4 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | trans | -68.3 | 64.2 | 179.5 | -77.6 | -36.3 | 0 | 0 | 0 | 112.3 | F1584 | N1582-F1584 PolarHBondContact O-N 3.5Š| ||
| 1583 | Y | 44.5 | Very low | 54.1 | Low | 175 Ų | 175 | 84 Ų | 84 | 69% | 0.686 | 46% | 0.458 | S | S | * | . | trans | -87.8 | 98.9 | 169.9 | -66 | -71.1 | 0 | 0 | 0 | 108.2 | A1581 C1585 | A1581-Y1583 HydrophobicContact CB-CD2 3.46Å; A1581-Y1583 VanDerWaalsContact CB-CD2 3.46Å; A1581-Y1583 HydrophobicContact CB-CE2 3.25Å; A1581-Y1583 PolarHBondContact O-N 3.16Å; Y1583-C1585 PolarHBondContact O-N 3.28Å | ||
| 1584 | F | 54.7 | Low | 56.9 | Low | 66 Ų | 66 | 78.6 Ų | 78.6 | 29% | 0.289 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 128.3 | 160.9 | -88.7 | -86.3 | 0 | 0 | 0 | 107.8 | N1582 L1679 W1687 | N1582-F1584 PolarHBondContact O-N 3.5Å; F1584-L1679 HydrophobicContact CD2-CD2 4.08Å; F1584-L1679 HydrophobicContact CE1-CD2 4.39Å; F1584-L1679 HydrophobicContact CE2-CD1 4.5Å; F1584-L1679 HydrophobicContact CE2-CD2 3.47Å; F1584-L1679 VanDerWaalsContact CE2-CD2 3.47Å; F1584-L1679 HydrophobicContact CE2-CG 3.96Å; F1584-L1679 HydrophobicContact CZ-CD1 4.09Å; F1584-L1679 HydrophobicContact CZ-CD2 3.66Å; F1584-L1679 HydrophobicContact CZ-CG 4.04Å; F1584-W1687 HydrophobicContact CD1-CE3 4.06Å; F1584-W1687 AromaticContact CD1-CZ3 3.67Å; F1584-W1687 HydrophobicContact CD1-CZ3 3.67Å; F1584-W1687 AromaticContact CE1-CE3 3.67Å; F1584-W1687 HydrophobicContact CE1-CE3 3.67Å; F1584-W1687 HydrophobicContact CE1-CH2 4.06Å; F1584-W1687 AromaticContact CE1-CZ3 3.33Å; F1584-W1687 HydrophobicContact CE1-CZ3 3.33Å |
| 1585 | C | 62.9 | Low | 59.6 | Low | 17 Ų | 17 | 75.1 Ų | 75.1 | 12% | 0.115 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 144.8 | 170.9 | -70.1 | 0 | 0 | 0 | 0 | 108.8 | Y1583 V1589 | Y1583-C1585 PolarHBondContact O-N 3.28Å; C1585-V1589 HydrophobicContact CB-CB 4.33Å; C1585-V1589 HydrophobicContact CB-CG1 4.23Å |
| 1586 | K | 69.1 | Low | 62.7 | Low | 101 Ų | 101 | 68 Ų | 68 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 144.6 | 176.6 | -69.5 | 174.7 | 171.4 | 155.3 | 0 | 109.7 | P1478 D1588 V1589 R1590 | P1478-K1586 PolarHBondContact O-NZ 3.3Å; K1586-D1588 VanDerWaalsContact C-OD1 3.31Å; K1586-D1588 WeakPolarHBondContact CB-OD1 3.39Å; K1586-D1588 PolarHBondContact O-N 3.34Å; K1586-D1588 VanDerWaalsContact O-N 3.13Å; K1586-V1589 HydrophobicContact CB-CG2 4.45Å; K1586-V1589 WeakPolarHBondContact O-CB 3.2Å; K1586-V1589 PolarHBondContact O-N 3.44Å; K1586-R1590 PolarHBondContact O-N 3.46Å |
| 1587 | L | 76.1 | Confident | 65.7 | Low | 68 Ų | 68 | 66 Ų | 66 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -49.6 | -41.9 | -173.4 | 170 | 61.9 | 0 | 0 | 0 | 112.6 | R1590 T1591 E1686 T1690 | L1587-R1590 PolarHBondContact O-N 2.98Å; L1587-T1591 WeakPolarHBondContact O-CB 3.18Å; L1587-T1591 PolarHBondContact O-N 3.35Å; L1587-T1591 PolarHBondContact O-OG1 2.68Å; L1587-E1686 WeakPolarHBondContact CD1-OE1 3.31Å; L1587-T1690 HydrophobicContact CD1-CG2 3.77Å; L1587-T1690 WeakPolarHBondContact CD1-OG1 3.29Å; L1587-T1690 HydrophobicContact CD2-CG2 4.39Å |
| 1588 | D | 79.3 | Confident | 68.6 | Low | 74 Ų | 74 | 61.9 Ų | 61.9 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 177.1 | 55 | -20.1 | 0 | 0 | 0 | 113.3 | M1485 K1586 R1592 | M1485-D1588 HydrophobicContact CE-CB 3.7Å; K1586-D1588 VanDerWaalsContact C-OD1 3.31Å; K1586-D1588 WeakPolarHBondContact CB-OD1 3.39Å; K1586-D1588 PolarHBondContact O-N 3.34Å; K1586-D1588 VanDerWaalsContact O-N 3.13Å; D1588-R1592 VanDerWaalsContact O-CB 3.26Å; D1588-R1592 WeakPolarHBondContact O-CB 3.42Å; D1588-R1592 PolarHBondContact O-N 3.38Å |
| 1589 | V | 83.9 | Confident | 71.5 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | A1484 I1488 I1556 C1585 K1586 R1592 G1593 | A1484-V1589 HydrophobicContact CB-CG1 4.37Å; A1484-V1589 HydrophobicContact CB-CG2 4.12Å; I1488-V1589 HydrophobicContact CD1-CG1 3.66Å; I1488-V1589 WeakPolarHBondContact CD1-O 3.4Å; I1556-V1589 HydrophobicContact CG2-CG1 4Å; C1585-V1589 HydrophobicContact CB-CB 4.33Å; C1585-V1589 HydrophobicContact CB-CG1 4.23Å; K1586-V1589 HydrophobicContact CB-CG2 4.45Å; K1586-V1589 WeakPolarHBondContact O-CB 3.2Å; K1586-V1589 PolarHBondContact O-N 3.44Å; V1589-R1592 PolarHBondContact O-N 3.13Å; V1589-G1593 PolarHBondContact O-N 3Å |
| 1590 | R | 84.6 | Confident | 74.5 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 178.4 | 179.3 | 175.6 | 69.6 | -139.5 | 2.6 | 112.1 | I1557 K1586 L1587 R1592 G1593 L1594 E1686 T1690 T1691 | I1557-R1590 HydrophobicContact CG2-CG 4.37Å; I1557-R1590 WeakPolarHBondContact O-CD 3.5Å; K1586-R1590 PolarHBondContact O-N 3.46Å; L1587-R1590 PolarHBondContact O-N 2.98Å; R1590-R1592 VanDerWaalsContact C-N 3.29Å; R1590-R1592 PolarHBondContact O-N 3.15Å; R1590-G1593 PolarHBondContact O-N 2.95Å; R1590-L1594 WeakPolarHBondContact O-CB 3.39Å; R1590-L1594 PolarHBondContact O-N 3.05Å; R1590-E1686 IonicContact CZ-OE1 3.67Å; R1590-E1686 IonicContact NH2-OE1 3.99Å; R1590-E1686 PolarHBondContact NH2-OE1 3.28Å; R1590-T1690 PolarHBondContact NH2-OG1 3.03Å; R1590-T1691 PolarHBondContact NE-OG1 3.47Å |
| 1591 | T | 85.2 | Confident | 77.4 | Confident | 47 Ų | 47 | 45.7 Ų | 45.7 | 29% | 0.288 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 179 | -58.2 | 0 | 0 | 0 | 0 | 110.3 | L1587 L1594 T1595 | L1587-T1591 WeakPolarHBondContact O-CB 3.18Å; L1587-T1591 PolarHBondContact O-N 3.35Å; L1587-T1591 PolarHBondContact O-OG1 2.68Å; T1591-L1594 PolarHBondContact O-N 3.43Å; T1591-T1595 PolarHBondContact O-N 3.04Å; T1591-T1595 PolarHBondContact O-OG1 2.97Å |
| 1592 | R | 88.1 | Confident | 80 | Confident | 108 Ų | 108 | 48 Ų | 48 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 176.4 | -172.4 | 61.2 | 120.8 | 102.9 | 2 | 112.8 | M1485 I1488 D1588 V1589 R1590 L1594 T1595 V1596 | M1485-R1592 HydrophobicContact CE-CB 4.23Å; M1485-R1592 HydrophobicContact SD-CB 3.73Å; M1485-R1592 HydrophobicContact SD-CG 3.79Å; I1488-R1592 HydrophobicContact CD1-CB 4.4Å; I1488-R1592 HydrophobicContact CD1-CG 4.49Å; I1488-R1592 HydrophobicContact CG2-CG 4.09Å; D1588-R1592 VanDerWaalsContact O-CB 3.26Å; D1588-R1592 WeakPolarHBondContact O-CB 3.42Å; D1588-R1592 PolarHBondContact O-N 3.38Å; V1589-R1592 PolarHBondContact O-N 3.13Å; R1590-R1592 VanDerWaalsContact C-N 3.29Å; R1590-R1592 PolarHBondContact O-N 3.15Å; R1592-L1594 VanDerWaalsContact C-N 3.31Å; R1592-L1594 PolarHBondContact O-N 3.05Å; R1592-T1595 PolarHBondContact O-N 2.77Å; R1592-V1596 WeakPolarHBondContact O-CG2 3.5Å; R1592-V1596 PolarHBondContact O-N 3.36Å |
| 1593 | G | 89.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -44.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1589 R1590 V1596 F1597 | V1589-G1593 PolarHBondContact O-N 3Å; R1590-G1593 PolarHBondContact O-N 2.95Å; G1593-V1596 PolarHBondContact O-N 3.29Å; G1593-F1597 VanDerWaalsContact O-CB 3.32Å; G1593-F1597 WeakPolarHBondContact O-CB 3.41Å; G1593-F1597 PolarHBondContact O-N 3.47Å |
| 1594 | L | 88.1 | Confident | 84.7 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 177.1 | -166.4 | 69.7 | 0 | 0 | 0 | 112.2 | I1557 R1590 T1591 R1592 V1596 F1597 F1598 T1691 H1694 | I1557-L1594 HydrophobicContact CD1-CB 4.29Å; I1557-L1594 HydrophobicContact CD1-CD1 3.88Å; I1557-L1594 HydrophobicContact CG1-CB 4.4Å; I1557-L1594 HydrophobicContact CG1-CD1 4.47Å; I1557-L1594 HydrophobicContact CG2-CD1 4.09Å; R1590-L1594 WeakPolarHBondContact O-CB 3.39Å; R1590-L1594 PolarHBondContact O-N 3.05Å; T1591-L1594 PolarHBondContact O-N 3.43Å; R1592-L1594 VanDerWaalsContact C-N 3.31Å; R1592-L1594 PolarHBondContact O-N 3.05Å; L1594-V1596 VanDerWaalsContact C-N 3.35Å; L1594-V1596 PolarHBondContact O-N 2.86Å; L1594-F1597 PolarHBondContact O-N 2.96Å; L1594-F1598 HydrophobicContact CD1-CD2 4.05Å; L1594-F1598 HydrophobicContact CD1-CE2 3.62Å; L1594-F1598 HydrophobicContact CG-CD2 4.01Å; L1594-F1598 HydrophobicContact CG-CE2 3.97Å; L1594-F1598 WeakPolarHBondContact O-CD2 2.93Å; L1594-F1598 PolarHBondContact O-N 3.04Å; L1594-T1691 HydrophobicContact CD2-CG2 4.19Å; L1594-H1694 HydrophobicContact CD2-CB 3.69Å |
| 1595 | T | 90.8 | Very high | 86.2 | Confident | 63 Ų | 63 | 36.3 Ų | 36.3 | 39% | 0.387 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | T1591 R1592 F1598 D1599 | T1591-T1595 PolarHBondContact O-N 3.04Å; T1591-T1595 PolarHBondContact O-OG1 2.97Å; R1592-T1595 PolarHBondContact O-N 2.77Å; T1595-F1598 PolarHBondContact O-N 3.13Å; T1595-D1599 WeakPolarHBondContact O-CB 3.26Å; T1595-D1599 PolarHBondContact O-N 3.25Å |
| 1596 | V | 93.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | 179 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | I1488 R1492 L1553 R1592 G1593 L1594 F1598 D1599 I1600 | I1488-V1596 HydrophobicContact CG2-CB 4.06Å; I1488-V1596 HydrophobicContact CG2-CG1 4.34Å; I1488-V1596 HydrophobicContact CG2-CG2 3.8Å; R1492-V1596 HydrophobicContact CB-CG1 3.74Å; R1492-V1596 HydrophobicContact CG-CG1 4.04Å; L1553-V1596 HydrophobicContact CD1-CG1 4.18Å; L1553-V1596 HydrophobicContact CD2-CG1 4.2Å; R1592-V1596 WeakPolarHBondContact O-CG2 3.5Å; R1592-V1596 PolarHBondContact O-N 3.36Å; G1593-V1596 PolarHBondContact O-N 3.29Å; L1594-V1596 VanDerWaalsContact C-N 3.35Å; L1594-V1596 PolarHBondContact O-N 2.86Å; V1596-F1598 PolarHBondContact O-N 3.36Å; V1596-D1599 PolarHBondContact O-N 3.34Å; V1596-I1600 HydrophobicContact CG1-CD1 3.78Å; V1596-I1600 HydrophobicContact CG1-CG1 4.42Å; V1596-I1600 WeakPolarHBondContact O-CD1 3.48Å; V1596-I1600 VanDerWaalsContact O-CG1 3.26Å; V1596-I1600 WeakPolarHBondContact O-CG1 3.46Å; V1596-I1600 PolarHBondContact O-N 2.93Å |
| 1597 | F | 92.5 | Very high | 88.1 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.1 | -51.3 | 175.9 | 177.5 | -89.6 | 0 | 0 | 0 | 111.3 | L1550 L1553 I1557 G1593 L1594 I1600 L1601 T1616 I1620 | L1550-F1597 HydrophobicContact CB-CE2 4.07Å; L1550-F1597 HydrophobicContact CD2-CD2 4.02Å; L1550-F1597 HydrophobicContact CD2-CE2 3.77Å; L1550-F1597 HydrophobicContact CD2-CZ 4.47Å; L1550-F1597 HydrophobicContact CG-CE2 4.49Å; L1553-F1597 HydrophobicContact CB-CB 4.49Å; L1553-F1597 HydrophobicContact CB-CD2 4.09Å; I1557-F1597 HydrophobicContact CD1-CB 3.97Å; I1557-F1597 HydrophobicContact CD1-CG 4.27Å; G1593-F1597 VanDerWaalsContact O-CB 3.32Å; G1593-F1597 WeakPolarHBondContact O-CB 3.41Å; G1593-F1597 PolarHBondContact O-N 3.47Å; L1594-F1597 PolarHBondContact O-N 2.96Å; F1597-I1600 PolarHBondContact O-N 2.98Å; F1597-L1601 HydrophobicContact CD1-CD1 4.04Å; F1597-L1601 HydrophobicContact CE1-CD1 3.42Å; F1597-L1601 VanDerWaalsContact CE1-CD1 3.42Å; F1597-L1601 HydrophobicContact CE1-CG 4.28Å; F1597-L1601 HydrophobicContact CZ-CD1 3.89Å; F1597-L1601 WeakPolarHBondContact O-CG 3.49Å; F1597-L1601 PolarHBondContact O-N 3.42Å; F1597-L1601 VanDerWaalsContact O-N 3.16Å; F1597-T1616 HydrophobicContact CZ-CG2 4.16Å; F1597-I1620 HydrophobicContact CE1-CD1 3.77Å; F1597-I1620 HydrophobicContact CE1-CG1 3.55Å; F1597-I1620 HydrophobicContact CZ-CD1 4.14Å; F1597-I1620 HydrophobicContact CZ-CG1 3.74Å |
| 1598 | F | 92.5 | Very high | 88.6 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.4 | -32.6 | 178.8 | -77.3 | -67.2 | 0 | 0 | 0 | 113.4 | L1594 T1595 V1596 I1600 L1601 K1602 I1620 T1695 S1698 V1699 I1702 | L1594-F1598 HydrophobicContact CD1-CD2 4.05Å; L1594-F1598 HydrophobicContact CD1-CE2 3.62Å; L1594-F1598 HydrophobicContact CG-CD2 4.01Å; L1594-F1598 HydrophobicContact CG-CE2 3.97Å; L1594-F1598 WeakPolarHBondContact O-CD2 2.93Å; L1594-F1598 PolarHBondContact O-N 3.04Å; T1595-F1598 PolarHBondContact O-N 3.13Å; V1596-F1598 PolarHBondContact O-N 3.36Å; F1598-I1600 VanDerWaalsContact C-N 3.31Å; F1598-I1600 PolarHBondContact O-N 3.44Å; F1598-L1601 HydrophobicContact CD1-CD1 4.17Å; F1598-L1601 HydrophobicContact CE1-CD1 4.43Å; F1598-L1601 PolarHBondContact O-N 3.39Å; F1598-K1602 VanDerWaalsContact O-CB 3.27Å; F1598-K1602 WeakPolarHBondContact O-CB 3.42Å; F1598-K1602 PolarHBondContact O-N 2.93Å; F1598-I1620 HydrophobicContact CE1-CD1 4.13Å; F1598-I1620 HydrophobicContact CZ-CG2 4.2Å; F1598-T1695 HydrophobicContact CE2-CG2 4.19Å; F1598-T1695 HydrophobicContact CZ-CG2 3.86Å; F1598-S1698 VanDerWaalsContact CD1-CB 3.4Å; F1598-S1698 VanDerWaalsContact CD2-CB 3.46Å; F1598-V1699 HydrophobicContact CE1-CG2 4.36Å; F1598-V1699 HydrophobicContact CZ-CG2 4.36Å; F1598-I1702 HydrophobicContact CD1-CG1 4.05Å |
| 1599 | D | 91.9 | Very high | 88.9 | Confident | 47 Ų | 47 | 36.7 Ų | 36.7 | 25% | 0.251 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.7 | -40 | 173.4 | -177.1 | 50.2 | 0 | 0 | 0 | 111.8 | R1492 T1595 V1596 K1602 S1603 | R1492-D1599 IonicContact CZ-OD2 2.73Å; R1492-D1599 IonicContact NE-OD2 3.53Å; R1492-D1599 PolarHBondContact NE-OD2 3.09Å; R1492-D1599 IonicContact NH2-OD2 3.91Å; R1492-D1599 PolarHBondContact NH2-OD2 2.87Å; T1595-D1599 WeakPolarHBondContact O-CB 3.26Å; T1595-D1599 PolarHBondContact O-N 3.25Å; V1596-D1599 PolarHBondContact O-N 3.34Å; D1599-K1602 PolarHBondContact O-N 3Å; D1599-S1603 WeakPolarHBondContact O-CB 3.44Å; D1599-S1603 PolarHBondContact O-N 2.92Å; D1599-S1603 PolarHBondContact O-OG 3.33Å |
| 1600 | I | 93.2 | Very high | 88.6 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | 174.2 | -72.3 | 163.4 | 0 | 0 | 0 | 110.6 | A1495 W1546 V1549 L1550 L1553 V1596 F1597 F1598 K1602 S1603 H1604 | A1495-I1600 HydrophobicContact CB-CD1 3.51Å; A1495-I1600 HydrophobicContact CB-CG1 3.7Å; A1495-I1600 HydrophobicContact CB-CG2 4.12Å; W1546-I1600 HydrophobicContact CE3-CG2 4.35Å; W1546-I1600 HydrophobicContact CZ3-CG2 3.65Å; V1549-I1600 HydrophobicContact CG1-CD1 4.17Å; L1550-I1600 HydrophobicContact CD2-CG2 4.18Å; L1553-I1600 HydrophobicContact CD1-CD1 3.44Å; L1553-I1600 VanDerWaalsContact CD1-CD1 3.44Å; V1596-I1600 HydrophobicContact CG1-CD1 3.78Å; V1596-I1600 HydrophobicContact CG1-CG1 4.42Å; V1596-I1600 WeakPolarHBondContact O-CD1 3.48Å; V1596-I1600 VanDerWaalsContact O-CG1 3.26Å; V1596-I1600 WeakPolarHBondContact O-CG1 3.46Å; V1596-I1600 PolarHBondContact O-N 2.93Å; F1597-I1600 PolarHBondContact O-N 2.98Å; F1598-I1600 VanDerWaalsContact C-N 3.31Å; F1598-I1600 PolarHBondContact O-N 3.44Å; I1600-K1602 VanDerWaalsContact C-N 3.25Å; I1600-K1602 PolarHBondContact O-N 3.17Å; I1600-S1603 PolarHBondContact O-N 3.28Å; I1600-H1604 WeakPolarHBondContact O-CB 3.32Å; I1600-H1604 PolarHBondContact O-N 3.31Å |
| 1601 | L | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -37.7 | 177.5 | -64.7 | -177.4 | 0 | 0 | 0 | 111.8 | L1550 F1597 F1598 G1605 F1608 W1613 T1616 I1620 I1702 F1706 | L1550-L1601 HydrophobicContact CD1-CD2 4.27Å; L1550-L1601 HydrophobicContact CD2-CD2 3.93Å; F1597-L1601 HydrophobicContact CD1-CD1 4.04Å; F1597-L1601 HydrophobicContact CE1-CD1 3.42Å; F1597-L1601 VanDerWaalsContact CE1-CD1 3.42Å; F1597-L1601 HydrophobicContact CE1-CG 4.28Å; F1597-L1601 HydrophobicContact CZ-CD1 3.89Å; F1597-L1601 WeakPolarHBondContact O-CG 3.49Å; F1597-L1601 PolarHBondContact O-N 3.42Å; F1597-L1601 VanDerWaalsContact O-N 3.16Å; F1598-L1601 HydrophobicContact CD1-CD1 4.17Å; F1598-L1601 HydrophobicContact CE1-CD1 4.43Å; F1598-L1601 PolarHBondContact O-N 3.39Å; L1601-G1605 WeakPolarHBondContact O-CA 3.19Å; L1601-G1605 PolarHBondContact O-N 3.18Å; L1601-F1608 HydrophobicContact CD2-CD2 4.49Å; L1601-F1608 HydrophobicContact CD2-CE2 3.65Å; L1601-F1608 HydrophobicContact CD2-CZ 4.14Å; L1601-W1613 HydrophobicContact CB-CH2 4.5Å; L1601-W1613 HydrophobicContact CB-CZ3 4.47Å; L1601-W1613 HydrophobicContact CD2-CZ3 4.25Å; L1601-T1616 HydrophobicContact CD1-CG2 3.84Å; L1601-T1616 HydrophobicContact CD2-CG2 3.75Å; L1601-T1616 HydrophobicContact CG-CG2 4.47Å; L1601-I1620 HydrophobicContact CD1-CD1 3.85Å; L1601-I1702 HydrophobicContact CB-CD1 3.8Å; L1601-I1702 HydrophobicContact CB-CG1 4.35Å; L1601-F1706 WeakPolarHBondContact O-CE2 3.34Å |
| 1602 | K | 90.9 | Very high | 88.4 | Confident | 105 Ų | 105 | 42.9 Ų | 42.9 | 46% | 0.457 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.8 | -42.1 | 178.9 | -159.7 | 177.8 | -177 | 162.5 | 0 | 112.4 | F1598 D1599 I1600 I1702 Q1705 | F1598-K1602 VanDerWaalsContact O-CB 3.27Å; F1598-K1602 WeakPolarHBondContact O-CB 3.42Å; F1598-K1602 PolarHBondContact O-N 2.93Å; D1599-K1602 PolarHBondContact O-N 3Å; I1600-K1602 VanDerWaalsContact C-N 3.25Å; I1600-K1602 PolarHBondContact O-N 3.17Å; K1602-I1702 HydrophobicContact CB-CD1 3.76Å; K1602-I1702 HydrophobicContact CG-CD1 4.2Å; K1602-Q1705 PolarHBondContact O-NE2 3.14Å |
| 1603 | S | 90 | Very high | 88.4 | Confident | 60 Ų | 60 | 37.8 Ų | 37.8 | 42% | 0.42 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -81.9 | -31.1 | -173.9 | -60.3 | 0 | 0 | 0 | 0 | 113.2 | D1599 I1600 | D1599-S1603 WeakPolarHBondContact O-CB 3.44Å; D1599-S1603 PolarHBondContact O-N 2.92Å; D1599-S1603 PolarHBondContact O-OG 3.33Å; I1600-S1603 PolarHBondContact O-N 3.28Å |
| 1604 | H | 90.9 | Very high | 88 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 15% | 0.148 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -124.9 | -1.4 | -171.4 | -55.2 | -57.6 | 0 | 0 | 0 | 114.2 | A1499 W1546 I1600 N1606 K1607 F1608 | A1499-H1604 WeakPolarHBondContact CB-ND1 3.44Å; W1546-H1604 HydrophobicContact CH2-CB 3.32Å; W1546-H1604 AromaticContact CH2-CD2 3.71Å; W1546-H1604 AromaticContact CH2-CG 3.57Å; W1546-H1604 HydrophobicContact CZ2-CB 3.82Å; W1546-H1604 HydrophobicContact CZ3-CB 4.12Å; I1600-H1604 WeakPolarHBondContact O-CB 3.32Å; I1600-H1604 PolarHBondContact O-N 3.31Å; H1604-N1606 PolarHBondContact O-N 3.49Å; H1604-N1606 VanDerWaalsContact O-N 3.14Å; H1604-N1606 PolarHBondContact O-OD1 2.87Å; H1604-K1607 WeakPolarHBondContact O-CB 3.25Å; H1604-K1607 PolarHBondContact O-N 3.06Å; H1604-F1608 WeakPolarHBondContact O-CD1 2.95Å |
| 1605 | G | 86.4 | Confident | 87.7 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -62.8 | -19.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1601 K1607 F1608 W1613 | L1601-G1605 WeakPolarHBondContact O-CA 3.19Å; L1601-G1605 PolarHBondContact O-N 3.18Å; G1605-K1607 PolarHBondContact O-N 3.27Å; G1605-F1608 WeakPolarHBondContact O-CB 3.5Å; G1605-F1608 PolarHBondContact O-N 3.09Å; G1605-W1613 VanDerWaalsContact CA-CZ2 3.41Å; G1605-W1613 WeakPolarHBondContact O-CZ2 2.86Å |
| 1606 | N | 85.6 | Confident | 87.4 | Confident | 117 Ų | 117 | 44.8 Ų | 44.8 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -63.7 | -20.3 | 172 | 61.5 | -27.4 | 0 | 0 | 0 | 113.2 | H1604 F1608 F1706 | H1604-N1606 PolarHBondContact O-N 3.49Å; H1604-N1606 VanDerWaalsContact O-N 3.14Å; H1604-N1606 PolarHBondContact O-OD1 2.87Å; N1606-F1608 VanDerWaalsContact C-N 3.34Å; N1606-F1706 HydrophobicContact CB-CE1 3.92Å |
| 1607 | K | 85.2 | Confident | 87.1 | Confident | 74 Ų | 74 | 44.7 Ų | 44.7 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -86.1 | -5.8 | 174.9 | -66.9 | 160.7 | 169.9 | -99.5 | 0 | 112.5 | A1499 E1502 H1604 G1605 W1612 | A1499-K1607 HydrophobicContact CB-CD 4.4Å; A1499-K1607 PolarHBondContact O-NZ 3.43Å; E1502-K1607 WeakPolarHBondContact OE1-CD 3.4Å; E1502-K1607 WeakPolarHBondContact OE1-CE 3.47Å; E1502-K1607 WeakPolarHBondContact OE1-CG 3.47Å; E1502-K1607 IonicContact OE1-NZ 3.21Å; E1502-K1607 PolarHBondContact OE1-NZ 3.13Å; E1502-K1607 IonicContact OE2-NZ 3.74Å; H1604-K1607 WeakPolarHBondContact O-CB 3.25Å; H1604-K1607 PolarHBondContact O-N 3.06Å; G1605-K1607 PolarHBondContact O-N 3.27Å; K1607-W1612 WeakPolarHBondContact O-CZ3 3.48Å |
| 1608 | F | 87.3 | Confident | 86.4 | Confident | 11 Ų | 11 | 47 Ų | 47 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | trans | -90.7 | 134.8 | -171.4 | -75.4 | 31.3 | 0 | 0 | 0 | 111.7 | W1542 W1546 L1550 L1601 H1604 G1605 N1606 W1612 W1613 | W1542-F1608 HydrophobicContact CH2-CE2 4.42Å; W1542-F1608 HydrophobicContact CZ3-CD2 4.1Å; W1542-F1608 AromaticContact CZ3-CE2 3.78Å; W1542-F1608 HydrophobicContact CZ3-CE2 3.78Å; W1542-F1608 HydrophobicContact CZ3-CZ 4.25Å; W1546-F1608 HydrophobicContact CB-CZ 4.44Å; W1546-F1608 AromaticContact CD2-CE1 3.52Å; W1546-F1608 HydrophobicContact CD2-CE1 3.52Å; W1546-F1608 AromaticContact CD2-CZ 3.77Å; W1546-F1608 HydrophobicContact CD2-CZ 3.77Å; W1546-F1608 AromaticContact CE2-CE1 3.62Å; W1546-F1608 AromaticContact CE3-CE1 3.83Å; W1546-F1608 HydrophobicContact CE3-CE1 3.83Å; W1546-F1608 AromaticContact CE3-CZ 3.74Å; W1546-F1608 HydrophobicContact CE3-CZ 3.74Å; W1546-F1608 AromaticContact CG-CE1 3.93Å; W1546-F1608 HydrophobicContact CG-CE1 3.93Å; W1546-F1608 HydrophobicContact CG-CZ 4.09Å; W1546-F1608 HydrophobicContact CH2-CE1 4.33Å; W1546-F1608 HydrophobicContact CZ2-CE1 4.04Å; W1546-F1608 HydrophobicContact CZ3-CE1 4.23Å; W1546-F1608 HydrophobicContact CZ3-CZ 4.32Å; W1546-F1608 AromaticContact NE1-CE1 3.98Å; L1550-F1608 HydrophobicContact CD1-CE2 3.7Å; L1550-F1608 HydrophobicContact CD1-CZ 3.9Å; L1601-F1608 HydrophobicContact CD2-CD2 4.49Å; L1601-F1608 HydrophobicContact CD2-CE2 3.65Å; L1601-F1608 HydrophobicContact CD2-CZ 4.14Å; H1604-F1608 WeakPolarHBondContact O-CD1 2.95Å; G1605-F1608 WeakPolarHBondContact O-CB 3.5Å; G1605-F1608 PolarHBondContact O-N 3.09Å; N1606-F1608 VanDerWaalsContact C-N 3.34Å; F1608-W1612 HydrophobicContact CB-CE3 4.26Å; F1608-W1612 HydrophobicContact CD1-CE3 4.5Å; F1608-W1612 HydrophobicContact CD2-CB 4.5Å; F1608-W1612 HydrophobicContact CG-CE3 4.32Å; F1608-W1613 HydrophobicContact CB-CD2 4.15Å; F1608-W1613 HydrophobicContact CB-CG 4.32Å; F1608-W1613 HydrophobicContact CB-CZ2 4.16Å; F1608-W1613 HydrophobicContact CD2-CD2 4.34Å; F1608-W1613 HydrophobicContact CD2-CE3 4.4Å; F1608-W1613 PolarHBondContact O-NE1 3.44Å | ||
| 1609 | K | 84 | Confident | 85.6 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | trans | -75.6 | 156.5 | 174.4 | -69.6 | -172.6 | 170.3 | -172.7 | 0 | 112.4 | D1538 L1611 W1612 W1613 | D1538-K1609 HydrophobicContact CB-CD 4.43Å; D1538-K1609 VanDerWaalsContact OD2-CE 3.3Å; D1538-K1609 WeakPolarHBondContact OD2-CE 3.43Å; D1538-K1609 IonicContact OD2-NZ 3.6Å; D1538-K1609 PolarHBondContact OD2-NZ 2.94Å; K1609-L1611 VanDerWaalsContact C-N 3.27Å; K1609-L1611 PolarHBondContact O-N 3.41Å; K1609-L1611 VanDerWaalsContact O-N 3.15Å; K1609-W1612 HydrophobicContact CB-CD2 3.88Å; K1609-W1612 HydrophobicContact CB-CE3 4.35Å; K1609-W1612 HydrophobicContact CB-CG 4.06Å; K1609-W1612 HydrophobicContact CB-CZ2 4.42Å; K1609-W1612 HydrophobicContact CD-CH2 4.35Å; K1609-W1612 HydrophobicContact CD-CZ2 3.75Å; K1609-W1612 HydrophobicContact CG-CD2 4.27Å; K1609-W1612 HydrophobicContact CG-CE3 4.49Å; K1609-W1612 HydrophobicContact CG-CH2 4.22Å; K1609-W1612 HydrophobicContact CG-CZ2 3.99Å; K1609-W1612 HydrophobicContact CG-CZ3 4.46Å; K1609-W1612 WeakPolarHBondContact O-CB 3.31Å; K1609-W1612 PolarHBondContact O-N 3.2Å; K1609-W1613 PolarHBondContact O-N 3.49Å | ||
| 1610 | P | 79.3 | Confident | 85.3 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 44% | 0.435 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -40.3 | -47.4 | 170.8 | -38.4 | 40.8 | 0 | 0 | 0 | 115.8 | W1613 R1614 V1709 I1713 | P1610-W1613 WeakPolarHBondContact O-CB 3.42Å; P1610-W1613 PolarHBondContact O-N 3.24Å; P1610-R1614 PolarHBondContact O-N 2.91Å; P1610-R1614 VanDerWaalsContact O-N 3.14Å; P1610-V1709 HydrophobicContact CG-CG1 4.06Å; P1610-I1713 VanDerWaalsContact CA-CD1 3.46Å; P1610-I1713 HydrophobicContact CB-CD1 3.4Å; P1610-I1713 VanDerWaalsContact CB-CD1 3.4Å; P1610-I1713 HydrophobicContact CG-CD1 4.17Å |
| 1611 | L | 78.3 | Confident | 84.7 | Confident | 115 Ų | 115 | 46.2 Ų | 46.2 | 60% | 0.602 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -70.1 | -39.1 | -178.4 | -69.2 | 171.3 | 0 | 0 | 0 | 112.5 | K1609 W1613 R1614 E1615 | K1609-L1611 VanDerWaalsContact C-N 3.27Å; K1609-L1611 PolarHBondContact O-N 3.41Å; K1609-L1611 VanDerWaalsContact O-N 3.15Å; L1611-W1613 VanDerWaalsContact C-N 3.29Å; L1611-W1613 PolarHBondContact O-N 3.22Å; L1611-R1614 WeakPolarHBondContact O-CB 3.48Å; L1611-R1614 PolarHBondContact O-N 3.01Å; L1611-R1614 VanDerWaalsContact O-N 3.13Å; L1611-E1615 PolarHBondContact O-N 3.1Å |
| 1612 | W | 86.9 | Confident | 84 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.045 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -36.3 | 178.2 | -54.4 | -9 | 0 | 0 | 0 | 111 | D1538 D1539 W1542 K1607 F1608 K1609 E1615 T1616 | D1538-W1612 VanDerWaalsContact O-CH2 3.26Å; D1538-W1612 WeakPolarHBondContact O-CH2 3.42Å; D1538-W1612 WeakPolarHBondContact O-CZ2 3.42Å; D1539-W1612 PolarHBondContact OD1-NE1 3.07Å; W1542-W1612 HydrophobicContact CB-CD2 3.84Å; W1542-W1612 VanDerWaalsContact CB-CE2 3.47Å; W1542-W1612 HydrophobicContact CB-CE3 4.34Å; W1542-W1612 HydrophobicContact CB-CG 4.28Å; W1542-W1612 HydrophobicContact CB-CH2 4.26Å; W1542-W1612 HydrophobicContact CB-CZ2 3.73Å; W1542-W1612 AromaticContact CD1-CD1 3.83Å; W1542-W1612 HydrophobicContact CD2-CB 3.83Å; W1542-W1612 AromaticContact CD2-CD1 3.73Å; W1542-W1612 AromaticContact CD2-CD2 3.78Å; W1542-W1612 HydrophobicContact CD2-CD2 3.78Å; W1542-W1612 HydrophobicContact CD2-CE3 4.3Å; W1542-W1612 AromaticContact CD2-CG 3.5Å; W1542-W1612 HydrophobicContact CD2-CG 3.5Å; W1542-W1612 HydrophobicContact CE3-CB 3.61Å; W1542-W1612 AromaticContact CE3-CD2 3.61Å; W1542-W1612 HydrophobicContact CE3-CD2 3.61Å; W1542-W1612 AromaticContact CE3-CE3 3.68Å; W1542-W1612 HydrophobicContact CE3-CE3 3.68Å; W1542-W1612 AromaticContact CE3-CG 3.56Å; W1542-W1612 HydrophobicContact CE3-CG 3.56Å; W1542-W1612 AromaticContact CG-CD1 3.61Å; W1542-W1612 AromaticContact CG-CD2 3.89Å; W1542-W1612 HydrophobicContact CG-CD2 3.89Å; W1542-W1612 AromaticContact CG-CE2 3.87Å; W1542-W1612 AromaticContact CG-CG 3.82Å; W1542-W1612 HydrophobicContact CG-CG 3.82Å; W1542-W1612 AromaticContact CG-NE1 3.68Å; W1542-W1612 HydrophobicContact CH2-CB 3.92Å; W1542-W1612 HydrophobicContact CZ2-CB 4.07Å; W1542-W1612 HydrophobicContact CZ3-CB 3.68Å; W1542-W1612 HydrophobicContact CZ3-CD2 4.47Å; W1542-W1612 HydrophobicContact CZ3-CE3 4.43Å; W1542-W1612 HydrophobicContact CZ3-CG 4.17Å; K1607-W1612 WeakPolarHBondContact O-CZ3 3.48Å; F1608-W1612 HydrophobicContact CB-CE3 4.26Å; F1608-W1612 HydrophobicContact CD1-CE3 4.5Å; F1608-W1612 HydrophobicContact CD2-CB 4.5Å; F1608-W1612 HydrophobicContact CG-CE3 4.32Å; K1609-W1612 HydrophobicContact CB-CD2 3.88Å; K1609-W1612 HydrophobicContact CB-CE3 4.35Å; K1609-W1612 HydrophobicContact CB-CG 4.06Å; K1609-W1612 HydrophobicContact CB-CZ2 4.42Å; K1609-W1612 HydrophobicContact CD-CH2 4.35Å; K1609-W1612 HydrophobicContact CD-CZ2 3.75Å; K1609-W1612 HydrophobicContact CG-CD2 4.27Å; K1609-W1612 HydrophobicContact CG-CE3 4.49Å; K1609-W1612 HydrophobicContact CG-CH2 4.22Å; K1609-W1612 HydrophobicContact CG-CZ2 3.99Å; K1609-W1612 HydrophobicContact CG-CZ3 4.46Å; K1609-W1612 WeakPolarHBondContact O-CB 3.31Å; K1609-W1612 PolarHBondContact O-N 3.2Å; W1612-E1615 PolarHBondContact O-N 2.89Å; W1612-T1616 VanDerWaalsContact O-CB 3.29Å; W1612-T1616 WeakPolarHBondContact O-CB 3.38Å; W1612-T1616 PolarHBondContact O-N 3.04Å; W1612-T1616 PolarHBondContact O-OG1 3.35Å |
| 1613 | W | 88.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -45 | 170.4 | -78.8 | 122.4 | 0 | 0 | 0 | 112.2 | L1601 G1605 F1608 K1609 P1610 L1611 E1615 T1616 F1617 I1702 F1706 L1710 | L1601-W1613 HydrophobicContact CB-CH2 4.5Å; L1601-W1613 HydrophobicContact CB-CZ3 4.47Å; L1601-W1613 HydrophobicContact CD2-CZ3 4.25Å; G1605-W1613 VanDerWaalsContact CA-CZ2 3.41Å; G1605-W1613 WeakPolarHBondContact O-CZ2 2.86Å; F1608-W1613 HydrophobicContact CB-CD2 4.15Å; F1608-W1613 HydrophobicContact CB-CG 4.32Å; F1608-W1613 HydrophobicContact CB-CZ2 4.16Å; F1608-W1613 HydrophobicContact CD2-CD2 4.34Å; F1608-W1613 HydrophobicContact CD2-CE3 4.4Å; F1608-W1613 PolarHBondContact O-NE1 3.44Å; K1609-W1613 PolarHBondContact O-N 3.49Å; P1610-W1613 WeakPolarHBondContact O-CB 3.42Å; P1610-W1613 PolarHBondContact O-N 3.24Å; L1611-W1613 VanDerWaalsContact C-N 3.29Å; L1611-W1613 PolarHBondContact O-N 3.22Å; W1613-E1615 PolarHBondContact O-N 3.22Å; W1613-T1616 PolarHBondContact O-N 3.33Å; W1613-F1617 HydrophobicContact CE3-CD2 4.05Å; W1613-F1617 AromaticContact CE3-CE2 3.69Å; W1613-F1617 HydrophobicContact CE3-CE2 3.69Å; W1613-F1617 AromaticContact CZ3-CE2 3.98Å; W1613-F1617 HydrophobicContact CZ3-CE2 3.98Å; W1613-F1617 WeakPolarHBondContact O-CB 3.43Å; W1613-F1617 WeakPolarHBondContact O-CD2 3.48Å; W1613-F1617 PolarHBondContact O-N 2.92Å; W1613-I1702 HydrophobicContact CH2-CG2 3.76Å; W1613-I1702 HydrophobicContact CZ3-CG2 3.66Å; W1613-F1706 AromaticContact CH2-CD2 3.6Å; W1613-F1706 HydrophobicContact CH2-CD2 3.6Å; W1613-F1706 AromaticContact CH2-CE2 3.78Å; W1613-F1706 HydrophobicContact CH2-CE2 3.78Å; W1613-F1706 HydrophobicContact CH2-CG 4.31Å; W1613-F1706 HydrophobicContact CZ2-CB 4.25Å; W1613-F1706 HydrophobicContact CZ2-CD1 4.31Å; W1613-F1706 AromaticContact CZ2-CD2 3.52Å; W1613-F1706 HydrophobicContact CZ2-CD2 3.52Å; W1613-F1706 AromaticContact CZ2-CE2 3.85Å; W1613-F1706 HydrophobicContact CZ2-CE2 3.85Å; W1613-F1706 AromaticContact CZ2-CG 3.77Å; W1613-F1706 HydrophobicContact CZ2-CG 3.77Å; W1613-F1706 HydrophobicContact CZ2-CZ 4.39Å; W1613-L1710 HydrophobicContact CB-CD2 3.43Å; W1613-L1710 VanDerWaalsContact CB-CD2 3.43Å; W1613-L1710 HydrophobicContact CD2-CD1 4.49Å; W1613-L1710 HydrophobicContact CD2-CD2 3.63Å; W1613-L1710 HydrophobicContact CE3-CD2 4.21Å; W1613-L1710 HydrophobicContact CG-CD2 3.29Å |
| 1614 | R | 81.4 | Confident | 82.8 | Confident | 138 Ų | 138 | 39.9 Ų | 39.9 | 52% | 0.521 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.4 | -47 | 175.5 | 179.4 | 179 | -90 | -146.3 | -6.7 | 111.8 | P1610 L1611 F1617 A1618 I1713 | P1610-R1614 PolarHBondContact O-N 2.91Å; P1610-R1614 VanDerWaalsContact O-N 3.14Å; L1611-R1614 WeakPolarHBondContact O-CB 3.48Å; L1611-R1614 PolarHBondContact O-N 3.01Å; L1611-R1614 VanDerWaalsContact O-N 3.13Å; R1614-F1617 PolarHBondContact O-N 3.48Å; R1614-A1618 VanDerWaalsContact O-CB 3.3Å; R1614-A1618 WeakPolarHBondContact O-CB 3.3Å; R1614-A1618 PolarHBondContact O-N 2.88Å; R1614-I1713 HydrophobicContact CB-CG2 4Å |
| 1615 | E | 80 | Confident | 81.9 | Confident | 69 Ų | 69 | 41.3 Ų | 41.3 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64 | -43.2 | 177.1 | -70.3 | -175.9 | -178.6 | 0 | 0 | 112 | W1542 L1611 W1612 W1613 F1617 A1618 V1619 | W1542-E1615 HydrophobicContact CZ2-CB 4.09Å; W1542-E1615 PolarHBondContact NE1-OE2 3.29Å; L1611-E1615 PolarHBondContact O-N 3.1Å; W1612-E1615 PolarHBondContact O-N 2.89Å; W1613-E1615 PolarHBondContact O-N 3.22Å; E1615-F1617 PolarHBondContact O-N 3.48Å; E1615-A1618 PolarHBondContact O-N 3.3Å; E1615-V1619 WeakPolarHBondContact O-CG2 3.36Å; E1615-V1619 PolarHBondContact O-N 2.85Å |
| 1616 | T | 85.7 | Confident | 80.8 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 177.4 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | W1542 F1597 L1601 W1612 W1613 V1619 I1620 | W1542-T1616 VanDerWaalsContact CH2-OG1 3.31Å; W1542-T1616 WeakPolarHBondContact CH2-OG1 3.24Å; F1597-T1616 HydrophobicContact CZ-CG2 4.16Å; L1601-T1616 HydrophobicContact CD1-CG2 3.84Å; L1601-T1616 HydrophobicContact CD2-CG2 3.75Å; L1601-T1616 HydrophobicContact CG-CG2 4.47Å; W1612-T1616 VanDerWaalsContact O-CB 3.29Å; W1612-T1616 WeakPolarHBondContact O-CB 3.38Å; W1612-T1616 PolarHBondContact O-N 3.04Å; W1612-T1616 PolarHBondContact O-OG1 3.35Å; W1613-T1616 PolarHBondContact O-N 3.33Å; T1616-V1619 WeakPolarHBondContact O-CB 3.42Å; T1616-V1619 PolarHBondContact O-N 2.96Å; T1616-I1620 HydrophobicContact CG2-CD1 3.94Å; T1616-I1620 HydrophobicContact CG2-CG1 4.49Å; T1616-I1620 VanDerWaalsContact O-CG1 3.31Å; T1616-I1620 WeakPolarHBondContact O-CG1 3.41Å; T1616-I1620 PolarHBondContact O-N 3.36Å |
| 1617 | F | 85.8 | Confident | 79.7 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.3 | -34.2 | 179.8 | -88.3 | -102.9 | 0 | 0 | 0 | 112.8 | W1613 R1614 E1615 V1619 I1620 F1621 V1699 I1702 L1710 L1714 I1718 | W1613-F1617 HydrophobicContact CE3-CD2 4.05Å; W1613-F1617 AromaticContact CE3-CE2 3.69Å; W1613-F1617 HydrophobicContact CE3-CE2 3.69Å; W1613-F1617 AromaticContact CZ3-CE2 3.98Å; W1613-F1617 HydrophobicContact CZ3-CE2 3.98Å; W1613-F1617 WeakPolarHBondContact O-CB 3.43Å; W1613-F1617 WeakPolarHBondContact O-CD2 3.48Å; W1613-F1617 PolarHBondContact O-N 2.92Å; R1614-F1617 PolarHBondContact O-N 3.48Å; E1615-F1617 PolarHBondContact O-N 3.48Å; F1617-V1619 PolarHBondContact O-N 3.29Å; F1617-I1620 HydrophobicContact CD2-CD1 4.38Å; F1617-I1620 HydrophobicContact CG-CD1 4.35Å; F1617-I1620 PolarHBondContact O-N 3.02Å; F1617-F1621 HydrophobicContact CB-CD2 4.48Å; F1617-F1621 HydrophobicContact CB-CE2 4.17Å; F1617-F1621 HydrophobicContact CD1-CE1 4.49Å; F1617-F1621 HydrophobicContact CD1-CE2 4.12Å; F1617-F1621 AromaticContact CD1-CZ 3.9Å; F1617-F1621 HydrophobicContact CD1-CZ 3.9Å; F1617-F1621 WeakPolarHBondContact O-CD2 3.34Å; F1617-F1621 WeakPolarHBondContact O-CG 3.15Å; F1617-F1621 PolarHBondContact O-N 3.47Å; F1617-V1699 HydrophobicContact CE1-CG1 3.96Å; F1617-V1699 HydrophobicContact CE1-CG2 4.23Å; F1617-I1702 HydrophobicContact CE2-CG2 4.16Å; F1617-I1702 HydrophobicContact CZ-CG2 4.02Å; F1617-L1710 HydrophobicContact CE2-CD1 4.08Å; F1617-L1710 HydrophobicContact CZ-CD1 4.19Å; F1617-L1714 HydrophobicContact CB-CD1 3.74Å; F1617-L1714 HydrophobicContact CB-CD2 3.87Å; F1617-L1714 HydrophobicContact CB-CG 4.49Å; F1617-L1714 HydrophobicContact CD1-CD1 3.8Å; F1617-L1714 HydrophobicContact CD2-CD1 3.28Å; F1617-L1714 HydrophobicContact CE1-CD1 4.14Å; F1617-L1714 HydrophobicContact CE2-CD1 3.68Å; F1617-L1714 HydrophobicContact CG-CD1 3.33Å; F1617-L1714 HydrophobicContact CG-CD2 4.35Å; F1617-L1714 HydrophobicContact CG-CG 4.46Å; F1617-L1714 HydrophobicContact CZ-CD1 4.09Å; F1617-I1718 HydrophobicContact CE1-CD1 4.26Å |
| 1618 | A | 78 | Confident | 78.8 | Confident | 54 Ų | 54 | 39.4 Ų | 39.4 | 45% | 0.446 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.8 | -36.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1614 E1615 R1622 | R1614-A1618 VanDerWaalsContact O-CB 3.3Å; R1614-A1618 WeakPolarHBondContact O-CB 3.3Å; R1614-A1618 PolarHBondContact O-N 2.88Å; E1615-A1618 PolarHBondContact O-N 3.3Å; A1618-R1622 WeakPolarHBondContact O-CG 3.39Å |
| 1619 | V | 77.3 | Confident | 77 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.2 | -52.3 | 171.6 | 175 | 0 | 0 | 0 | 0 | 110.5 | F1554 I1566 E1615 T1616 F1617 F1621 R1622 | F1554-V1619 HydrophobicContact CB-CG1 4.02Å; F1554-V1619 HydrophobicContact CD1-CG1 3.29Å; F1554-V1619 HydrophobicContact CD2-CG1 3.69Å; F1554-V1619 HydrophobicContact CE1-CG1 3.44Å; F1554-V1619 VanDerWaalsContact CE1-CG1 3.44Å; F1554-V1619 WeakPolarHBondContact CE1-O 3.44Å; F1554-V1619 HydrophobicContact CE2-CG1 3.85Å; F1554-V1619 HydrophobicContact CG-CG1 3.39Å; F1554-V1619 HydrophobicContact CZ-CG1 3.71Å; F1554-V1619 WeakPolarHBondContact CZ-O 3.39Å; I1566-V1619 HydrophobicContact CD1-CG1 4.3Å; E1615-V1619 WeakPolarHBondContact O-CG2 3.36Å; E1615-V1619 PolarHBondContact O-N 2.85Å; T1616-V1619 WeakPolarHBondContact O-CB 3.42Å; T1616-V1619 PolarHBondContact O-N 2.96Å; F1617-V1619 PolarHBondContact O-N 3.29Å; V1619-F1621 VanDerWaalsContact C-N 3.32Å; V1619-F1621 PolarHBondContact O-N 3.45Å; V1619-R1622 VanDerWaalsContact O-CB 3.28Å; V1619-R1622 WeakPolarHBondContact O-CB 3.36Å; V1619-R1622 PolarHBondContact O-N 3.37Å |
| 1620 | I | 83.6 | Confident | 75 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.2 | -45.6 | -179.8 | -67.4 | 165.5 | 0 | 0 | 0 | 112.3 | F1597 F1598 L1601 T1616 F1617 R1622 V1623 T1695 V1699 | F1597-I1620 HydrophobicContact CE1-CD1 3.77Å; F1597-I1620 HydrophobicContact CE1-CG1 3.55Å; F1597-I1620 HydrophobicContact CZ-CD1 4.14Å; F1597-I1620 HydrophobicContact CZ-CG1 3.74Å; F1598-I1620 HydrophobicContact CE1-CD1 4.13Å; F1598-I1620 HydrophobicContact CZ-CG2 4.2Å; L1601-I1620 HydrophobicContact CD1-CD1 3.85Å; T1616-I1620 HydrophobicContact CG2-CD1 3.94Å; T1616-I1620 HydrophobicContact CG2-CG1 4.49Å; T1616-I1620 VanDerWaalsContact O-CG1 3.31Å; T1616-I1620 WeakPolarHBondContact O-CG1 3.41Å; T1616-I1620 PolarHBondContact O-N 3.36Å; F1617-I1620 HydrophobicContact CD2-CD1 4.38Å; F1617-I1620 HydrophobicContact CG-CD1 4.35Å; F1617-I1620 PolarHBondContact O-N 3.02Å; I1620-R1622 PolarHBondContact O-N 3.47Å; I1620-R1622 VanDerWaalsContact O-N 3.11Å; I1620-V1623 WeakPolarHBondContact O-CB 3.49Å; I1620-V1623 VanDerWaalsContact O-CG2 3.27Å; I1620-V1623 WeakPolarHBondContact O-CG2 3.3Å; I1620-V1623 PolarHBondContact O-N 3.02Å; I1620-T1695 HydrophobicContact CG2-CG2 3.66Å; I1620-V1699 HydrophobicContact CG2-CG2 3.58Å |
| 1621 | F | 82.4 | Confident | 73.1 | Confident | 25 Ų | 25 | 43.4 Ų | 43.4 | 11% | 0.11 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -64.3 | -17.5 | -178.8 | -68.4 | -43.4 | 0 | 0 | 0 | 113.3 | F1617 V1619 V1623 F1624 D1717 I1718 Q1721 | F1617-F1621 HydrophobicContact CB-CD2 4.48Å; F1617-F1621 HydrophobicContact CB-CE2 4.17Å; F1617-F1621 HydrophobicContact CD1-CE1 4.49Å; F1617-F1621 HydrophobicContact CD1-CE2 4.12Å; F1617-F1621 AromaticContact CD1-CZ 3.9Å; F1617-F1621 HydrophobicContact CD1-CZ 3.9Å; F1617-F1621 WeakPolarHBondContact O-CD2 3.34Å; F1617-F1621 WeakPolarHBondContact O-CG 3.15Å; F1617-F1621 PolarHBondContact O-N 3.47Å; V1619-F1621 VanDerWaalsContact C-N 3.32Å; V1619-F1621 PolarHBondContact O-N 3.45Å; F1621-V1623 PolarHBondContact O-N 2.97Å; F1621-F1624 HydrophobicContact CD1-CD2 4.48Å; F1621-F1624 HydrophobicContact CD1-CE2 4.42Å; F1621-F1624 PolarHBondContact O-N 3.23Å; F1621-F1624 VanDerWaalsContact O-N 3.15Å; F1621-D1717 HydrophobicContact CE2-CB 3.74Å; F1621-D1717 HydrophobicContact CZ-CB 4.32Å; F1621-I1718 HydrophobicContact CZ-CG1 3.9Å; F1621-Q1721 HydrophobicContact CD1-CB 4.1Å; F1621-Q1721 HydrophobicContact CD1-CG 3.72Å; F1621-Q1721 HydrophobicContact CE1-CB 3.75Å; F1621-Q1721 HydrophobicContact CE1-CG 3.68Å; F1621-Q1721 HydrophobicContact CZ-CB 4.32Å |
| 1622 | R | 77.3 | Confident | 71.1 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -67.2 | -18.9 | 172.7 | -58.1 | -164.1 | -174.6 | -164.1 | 2.1 | 113.7 | F1554 I1562 S1565 I1566 A1618 V1619 I1620 F1624 Q1625 | F1554-R1622 HydrophobicContact CE1-CB 4.29Å; F1554-R1622 HydrophobicContact CZ-CB 4.21Å; I1562-R1622 HydrophobicContact CG2-CB 3.9Å; I1562-R1622 HydrophobicContact CG2-CG 4.47Å; S1565-R1622 PolarHBondContact O-NH1 3.06Å; S1565-R1622 VanDerWaalsContact O-NH1 3.07Å; S1565-R1622 PolarHBondContact OG-NH1 3.16Å; I1566-R1622 VanDerWaalsContact CA-NH1 3.26Å; A1618-R1622 WeakPolarHBondContact O-CG 3.39Å; V1619-R1622 VanDerWaalsContact O-CB 3.28Å; V1619-R1622 WeakPolarHBondContact O-CB 3.36Å; V1619-R1622 PolarHBondContact O-N 3.37Å; I1620-R1622 PolarHBondContact O-N 3.47Å; I1620-R1622 VanDerWaalsContact O-N 3.11Å; R1622-F1624 PolarHBondContact O-N 3.14Å; R1622-F1624 VanDerWaalsContact O-N 3.1Å; R1622-Q1625 VanDerWaalsContact O-CB 3.29Å; R1622-Q1625 WeakPolarHBondContact O-CB 3.46Å; R1622-Q1625 PolarHBondContact O-N 3.16Å |
| 1623 | V | 78.5 | Confident | 68.4 | Low | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -55.5 | -28.2 | 171 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | F1554 I1620 F1621 W1687 T1691 T1695 | F1554-V1623 HydrophobicContact CE2-CG2 3.49Å; F1554-V1623 VanDerWaalsContact CE2-CG2 3.49Å; F1554-V1623 HydrophobicContact CZ-CG2 3.69Å; I1620-V1623 WeakPolarHBondContact O-CB 3.49Å; I1620-V1623 VanDerWaalsContact O-CG2 3.27Å; I1620-V1623 WeakPolarHBondContact O-CG2 3.3Å; I1620-V1623 PolarHBondContact O-N 3.02Å; F1621-V1623 PolarHBondContact O-N 2.97Å; V1623-W1687 HydrophobicContact CG1-CZ2 4.16Å; V1623-W1687 PolarHBondContact O-NE1 2.83Å; V1623-T1691 HydrophobicContact CG1-CG2 3.98Å; V1623-T1695 HydrophobicContact CB-CG2 4.34Å; V1623-T1695 HydrophobicContact CG1-CG2 4.38Å; V1623-T1695 HydrophobicContact CG2-CG2 4.37Å |
| 1624 | F | 77.3 | Confident | 65.9 | Low | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -92.3 | -8.6 | 178.6 | -54 | -81.7 | 0 | 0 | 0 | 113.4 | F1621 R1622 H1626 F1627 C1692 T1695 L1696 Q1721 W1724 | F1621-F1624 HydrophobicContact CD1-CD2 4.48Å; F1621-F1624 HydrophobicContact CD1-CE2 4.42Å; F1621-F1624 PolarHBondContact O-N 3.23Å; F1621-F1624 VanDerWaalsContact O-N 3.15Å; R1622-F1624 PolarHBondContact O-N 3.14Å; R1622-F1624 VanDerWaalsContact O-N 3.1Å; F1624-H1626 VanDerWaalsContact C-N 3.34Å; F1624-H1626 PolarHBondContact O-N 3.29Å; F1624-F1627 PolarHBondContact O-N 3.38Å; F1624-F1627 VanDerWaalsContact O-N 3.14Å; F1624-C1692 HydrophobicContact CD1-CB 4.15Å; F1624-C1692 HydrophobicContact CE1-CB 3.77Å; F1624-T1695 HydrophobicContact CE2-CG2 3.96Å; F1624-T1695 HydrophobicContact CZ-CG2 4Å; F1624-L1696 HydrophobicContact CZ-CB 4.36Å; F1624-L1696 HydrophobicContact CZ-CD1 4.17Å; F1624-Q1721 HydrophobicContact CD2-CG 4.33Å; F1624-Q1721 HydrophobicContact CE2-CG 4.29Å; F1624-W1724 HydrophobicContact CB-CH2 4.3Å; F1624-W1724 HydrophobicContact CB-CZ3 4.02Å; F1624-W1724 AromaticContact CD1-CZ3 3.92Å; F1624-W1724 HydrophobicContact CD1-CZ3 3.92Å; F1624-W1724 HydrophobicContact CG-CZ3 4.32Å |
| 1625 | Q | 69.9 | Low | 63.5 | Low | 61 Ų | 61 | 48.2 Ų | 48.2 | 29% | 0.285 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.4 | -28.8 | -170.9 | -168.8 | 163.9 | 4.5 | 0 | 0 | 113.5 | R1622 F1627 R1628 I1629 | R1622-Q1625 VanDerWaalsContact O-CB 3.29Å; R1622-Q1625 WeakPolarHBondContact O-CB 3.46Å; R1622-Q1625 PolarHBondContact O-N 3.16Å; Q1625-F1627 PolarHBondContact O-N 3Å; Q1625-R1628 PolarHBondContact O-N 2.76Å; Q1625-R1628 VanDerWaalsContact O-N 3.07Å; Q1625-I1629 HydrophobicContact CG-CD1 4.5Å; Q1625-I1629 PolarHBondContact O-N 2.64Å |
| 1626 | H | 63.4 | Low | 61.1 | Low | 43 Ų | 43 | 53.9 Ų | 53.9 | 20% | 0.199 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -52.4 | -25.1 | 172 | -88.4 | -62.2 | 0 | 0 | 0 | 113.4 | I1562 F1624 | I1562-H1626 WeakPolarHBondContact CD1-NE2 3.26Å; F1624-H1626 VanDerWaalsContact C-N 3.34Å; F1624-H1626 PolarHBondContact O-N 3.29Å |
| 1627 | F | 64 | Low | 58.6 | Low | 12 Ų | 12 | 58.9 Ų | 58.9 | 5% | 0.053 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -97.9 | -26.6 | -178.6 | -59.3 | -90.7 | 0 | 0 | 0 | 112.9 | F1624 Q1625 I1629 R1684 W1687 M1688 W1724 | F1624-F1627 PolarHBondContact O-N 3.38Å; F1624-F1627 VanDerWaalsContact O-N 3.14Å; Q1625-F1627 PolarHBondContact O-N 3Å; F1627-I1629 VanDerWaalsContact C-N 3.34Å; F1627-I1629 PolarHBondContact O-N 2.93Å; F1627-R1684 HydrophobicContact CD1-CG 4.25Å; F1627-R1684 HydrophobicContact CE1-CG 3.35Å; F1627-R1684 HydrophobicContact CZ-CG 3.98Å; F1627-W1687 AromaticContact CE2-CD1 3.45Å; F1627-W1687 VanDerWaalsContact CE2-CD1 3.45Å; F1627-W1687 HydrophobicContact CE2-CG 4.49Å; F1627-W1687 AromaticContact CE2-NE1 3.82Å; F1627-W1687 AromaticContact CZ-CD1 3.65Å; F1627-W1687 HydrophobicContact CZ-CG 4.41Å; F1627-M1688 HydrophobicContact CD1-SD 4.01Å; F1627-M1688 HydrophobicContact CE1-CE 3.92Å; F1627-M1688 HydrophobicContact CE1-SD 3.58Å; F1627-M1688 VanDerWaalsContact CE1-SD 3.58Å; F1627-M1688 HydrophobicContact CZ-CB 4.36Å; F1627-M1688 HydrophobicContact CZ-SD 3.99Å; F1627-W1724 HydrophobicContact CB-CH2 3.55Å; F1627-W1724 HydrophobicContact CB-CZ2 3.54Å; F1627-W1724 HydrophobicContact CG-CH2 4.21Å |
| 1628 | R | 64.8 | Low | 56 | Low | 97 Ų | 97 | 65.2 Ų | 65.2 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.1 | -32.7 | 177.2 | -67.9 | -174.3 | -179.1 | -176 | -0 | 112.6 | Q1625 S1630 S1631 W1724 | Q1625-R1628 PolarHBondContact O-N 2.76Å; Q1625-R1628 VanDerWaalsContact O-N 3.07Å; R1628-S1630 PolarHBondContact O-N 2.97Å; R1628-S1631 PolarHBondContact O-N 3.31Å; R1628-W1724 HydrophobicContact CG-CZ2 4.15Å |
| 1629 | I | 49.5 | Very low | 53.7 | Low | 103 Ų | 103 | 67.9 Ų | 67.9 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.3 | -32.9 | -178.6 | -59.8 | 167.6 | 0 | 0 | 0 | 111.6 | Q1625 F1627 S1631 A1632 | Q1625-I1629 HydrophobicContact CG-CD1 4.5Å; Q1625-I1629 PolarHBondContact O-N 2.64Å; F1627-I1629 VanDerWaalsContact C-N 3.34Å; F1627-I1629 PolarHBondContact O-N 2.93Å; I1629-S1631 VanDerWaalsContact C-N 3.26Å; I1629-S1631 PolarHBondContact O-N 2.84Å; I1629-A1632 PolarHBondContact O-N 3.38Å |
| 1630 | S | 43.2 | Very low | 51.3 | Low | 64 Ų | 64 | 73.1 Ų | 73.1 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.5 | -27.3 | 176.7 | -75.9 | 0 | 0 | 0 | 0 | 113.3 | R1628 S1633 | R1628-S1630 PolarHBondContact O-N 2.97Å; S1630-S1633 PolarHBondContact O-OG 3.33Å |
| 1631 | S | 38.7 | Very low | 48.6 | Very low | 61 Ų | 61 | 78.5 Ų | 78.5 | 43% | 0.427 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -76 | -40.6 | 179.1 | -41.8 | 0 | 0 | 0 | 0 | 112.3 | R1628 I1629 S1633 S1634 | R1628-S1631 PolarHBondContact O-N 3.31Å; I1629-S1631 VanDerWaalsContact C-N 3.26Å; I1629-S1631 PolarHBondContact O-N 2.84Å; S1631-S1633 VanDerWaalsContact C-N 3.34Å; S1631-S1633 PolarHBondContact O-N 3.1Å; S1631-S1634 WeakPolarHBondContact O-CB 3.32Å; S1631-S1634 PolarHBondContact O-N 3.38Å; S1631-S1634 VanDerWaalsContact O-N 3.15Å |
| 1632 | A | 36.1 | Very low | 46 | Very low | 59 Ų | 59 | 84.7 Ų | 84.7 | 49% | 0.488 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.9 | -30.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1629 S1634 E1635 Y1636 | I1629-A1632 PolarHBondContact O-N 3.38Å; A1632-S1634 PolarHBondContact O-N 2.71Å; A1632-E1635 PolarHBondContact O-N 3.12Å; A1632-Y1636 PolarHBondContact O-N 2.94Å |
| 1633 | S | 31.3 | Very low | 43.6 | Very low | 76 Ų | 76 | 90.6 Ų | 90.6 | 53% | 0.531 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.4 | -16.7 | 175 | 44.3 | 0 | 0 | 0 | 0 | 114.2 | S1630 S1631 | S1630-S1633 PolarHBondContact O-OG 3.33Å; S1631-S1633 VanDerWaalsContact C-N 3.34Å; S1631-S1633 PolarHBondContact O-N 3.1Å |
| 1634 | S | 35.3 | Very low | 41.2 | Very low | 79 Ų | 79 | 97.7 Ų | 97.7 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -85.6 | -37.3 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | S1631 A1632 | S1631-S1634 WeakPolarHBondContact O-CB 3.32Å; S1631-S1634 PolarHBondContact O-N 3.38Å; S1631-S1634 VanDerWaalsContact O-N 3.15Å; A1632-S1634 PolarHBondContact O-N 2.71Å |
| 1635 | E | 31.4 | Very low | 39.2 | Very low | 153 Ų | 153 | 102.9 Ų | 102.9 | 72% | 0.715 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -79.1 | -29.3 | -176.7 | -78.1 | 179.3 | 161.2 | 0 | 0 | 112.8 | A1632 N1637 N1638 | A1632-E1635 PolarHBondContact O-N 3.12Å; E1635-N1637 VanDerWaalsContact C-N 3.25Å; E1635-N1637 PolarHBondContact O-N 3.35Å; E1635-N1638 PolarHBondContact O-N 3Å |
| 1636 | Y | 30.5 | Very low | 37.2 | Very low | 187 Ų | 187 | 108.7 Ų | 108.7 | 73% | 0.733 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -18.5 | -179.4 | -147.9 | -94.8 | 0 | 0 | 0 | 114 | A1632 | A1632-Y1636 PolarHBondContact O-N 2.94Š|
| 1637 | N | 31.7 | Very low | 35.5 | Very low | 110 Ų | 110 | 113.5 Ų | 113.5 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -8.1 | -179 | -76.3 | -23 | 0 | 0 | 0 | 114.5 | E1635 | E1635-N1637 VanDerWaalsContact C-N 3.25Å; E1635-N1637 PolarHBondContact O-N 3.35Å |
| 1638 | N | 31.9 | Very low | 33.8 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 72% | 0.717 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -111.8 | 6.5 | -174 | -81.1 | -14 | 0 | 0 | 0 | 115.7 | E1635 | E1635-N1638 PolarHBondContact O-N 3Š|
| 1639 | T | 28.5 | Very low | 31.9 | Very low | 111 Ų | 111 | 122 Ų | 122 | 68% | 0.681 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -118.8 | 30.8 | -179.4 | 58.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1640 | V | 27.6 | Very low | 30.7 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -114.7 | 0.4 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1641 | T | 28.1 | Very low | 29.9 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -127.5 | 120.2 | 174.8 | 56 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1642 | N | 26.7 | Very low | 29.1 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | trans | 94.7 | 68.4 | 174.2 | -53.1 | -17 | 0 | 0 | 0 | 115.3 | ||||
| 1643 | I | 27.6 | Very low | 28.5 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 80% | 0.795 | 75% | 0.749 | S | S | * | * | trans | -100.2 | 99.1 | 149.5 | -61.5 | 174.2 | 0 | 0 | 0 | 105.9 | ||||
| 1644 | D | 28.6 | Very low | 28.2 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -71.8 | 123.8 | 162.5 | -89 | -34.7 | 0 | 0 | 0 | 107.9 | E1646 | D1644-E1646 PolarHBondContact O-N 2.83Å; D1644-E1646 VanDerWaalsContact O-N 3.16Å | ||
| 1645 | P | 34.2 | Very low | 27.6 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -91.9 | 78.4 | -167.4 | 35.8 | -33 | 0 | 0 | 0 | 110.5 | ||
| 1646 | E | 28.5 | Very low | 27.2 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -162.3 | 80.7 | 165 | -112.2 | 171.8 | -146.3 | 0 | 0 | 109 | D1644 | D1644-E1646 PolarHBondContact O-N 2.83Å; D1644-E1646 VanDerWaalsContact O-N 3.16Å | ||
| 1647 | T | 27.8 | Very low | 26.9 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | 171.7 | 68.9 | 156 | 30.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1648 | V | 27.6 | Very low | 26.8 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -124.8 | 82.8 | 163.8 | -177.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1649 | D | 24.9 | Very low | 26.3 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -159.4 | 130.7 | 154.3 | -91.1 | -34.9 | 0 | 0 | 0 | 107.8 | ||||
| 1650 | H | 25.3 | Very low | 26.1 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | 96.6 | 62.1 | 177.8 | -52.2 | -61.3 | 0 | 0 | 0 | 119.4 | ||||
| 1651 | I | 24.7 | Very low | 25.8 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -138.3 | 88.8 | 138.9 | -55.5 | -178.8 | 0 | 0 | 0 | 109.1 | ||||
| 1652 | S | 22.7 | Very low | 25.6 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -117.1 | 101.6 | 166.6 | 48.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1653 | S | 23.9 | Very low | 25.4 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | 148.5 | 75 | 151 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1654 | V | 25.3 | Very low | 25.1 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -134.8 | 108.6 | 147.1 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | T1656 | V1654-T1656 PolarHBondContact O-N 3.37Š| ||
| 1655 | K | 22.4 | Very low | 24.9 | Very low | 214 Ų | 214 | 149.6 Ų | 149.6 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -74.3 | 103.6 | 175.2 | -74.5 | 178.3 | 175 | 178.3 | 0 | 108.6 | ||||
| 1656 | T | 23.7 | Very low | 24.3 | Very low | 124 Ų | 124 | 153 Ų | 153 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 135.1 | 166.1 | 38.9 | 0 | 0 | 0 | 0 | 110.2 | V1654 | V1654-T1656 PolarHBondContact O-N 3.37Š|
| 1657 | A | 22.5 | Very low | 24.2 | Very low | 83 Ų | 83 | 148.5 Ų | 148.5 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64 | 146.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1658 | P | 30.7 | Very low | 24.1 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -73.4 | 159.5 | -173.7 | 32.7 | -33.5 | 0 | 0 | 0 | 110.6 | ||
| 1659 | Y | 22.1 | Very low | 24 | Very low | 229 Ų | 229 | 148.3 Ų | 148.3 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | 90.6 | 48.7 | -173.6 | -51.8 | -75 | 0 | 0 | 0 | 116.5 | ||||
| 1660 | S | 22.9 | Very low | 24 | Very low | 96 Ų | 96 | 148.1 Ų | 148.1 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | -149.9 | 69.4 | 150.4 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1661 | N | 22.2 | Very low | 24 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -164.2 | 65.4 | 169.1 | -93.9 | -20.4 | 0 | 0 | 0 | 111.7 | ||||
| 1662 | T | 22.8 | Very low | 24 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -142.9 | 68.8 | 165 | 35.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1663 | W | 22.2 | Very low | 24 | Very low | 222 Ų | 222 | 140.8 Ų | 140.8 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -135 | 32.8 | 167.2 | -78.6 | 77.1 | 0 | 0 | 0 | 111.8 | ||||
| 1664 | N | 22.2 | Very low | 24.2 | Very low | 158 Ų | 158 | 143 Ų | 143 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -118.3 | 78.1 | 169.9 | -87 | -3 | 0 | 0 | 0 | 109.5 | ||||
| 1665 | E | 25.2 | Very low | 24.2 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -106.5 | 105.2 | 159.7 | -87.5 | -173.6 | 159.8 | 0 | 0 | 108.7 | A1667 | E1665-A1667 PolarHBondContact O-N 3.33Š| ||
| 1666 | Q | 21.7 | Very low | 24.7 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -62 | 82 | 161.9 | -108.4 | 111.5 | 0.8 | 0 | 0 | 109 | T1668 | Q1666-T1668 PolarHBondContact O-N 3.03Å; Q1666-T1668 VanDerWaalsContact O-N 3.16Å | ||
| 1667 | A | 25.8 | Very low | 25.3 | Very low | 87 Ų | 87 | 143.2 Ų | 143.2 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -70.3 | 106.5 | 162 | 0 | 0 | 0 | 0 | 0 | 107.6 | E1665 I1669 | E1665-A1667 PolarHBondContact O-N 3.33Å; A1667-I1669 PolarHBondContact O-N 3.3Å; A1667-I1669 VanDerWaalsContact O-N 3.14Å | ||
| 1668 | T | 25.1 | Very low | 26.4 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -55.3 | 114.4 | -177.7 | -25.9 | 0 | 0 | 0 | 0 | 109.4 | Q1666 N1670 | Q1666-T1668 PolarHBondContact O-N 3.03Å; Q1666-T1668 VanDerWaalsContact O-N 3.16Å; T1668-N1670 PolarHBondContact O-N 3.11Å | ||
| 1669 | I | 25.2 | Very low | 27.5 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | trans | -67.9 | 91.2 | -179.1 | -58.6 | 170.3 | 0 | 0 | 0 | 108.3 | A1667 | A1667-I1669 PolarHBondContact O-N 3.3Å; A1667-I1669 VanDerWaalsContact O-N 3.14Å | ||
| 1670 | N | 25.6 | Very low | 29.3 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | trans | -88.7 | 119.5 | 161.1 | -84 | -21.9 | 0 | 0 | 0 | 108.2 | T1668 G1672 | T1668-N1670 PolarHBondContact O-N 3.11Å; N1670-G1672 PolarHBondContact O-N 2.94Å | ||
| 1671 | N | 25.9 | Very low | 31.1 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -52.5 | 99.4 | -176.8 | -75.7 | -36.3 | 0 | 0 | 0 | 113 | ||
| 1672 | G | 23.1 | Very low | 33.2 | Very low | 60 Ų | 60 | 131 Ų | 131 | 62% | 0.619 | 72% | 0.718 | S | S | * | * | trans | -152.7 | 89.7 | 164 | 0 | 0 | 0 | 0 | 0 | 107.8 | N1670 I1674 | N1670-G1672 PolarHBondContact O-N 2.94Å; G1672-I1674 PolarHBondContact O-N 3.26Å | ||
| 1673 | G | 24.5 | Very low | 35.3 | Very low | 72 Ų | 72 | 128.9 Ų | 128.9 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | trans | -64.1 | 95.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1675 | G1673-H1675 PolarHBondContact O-N 2.86Š| ||
| 1674 | I | 26.4 | Very low | 37.5 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 82% | 0.815 | 67% | 0.668 | S | S | * | * | trans | -70.2 | 98 | 159.2 | -60 | 175 | 0 | 0 | 0 | 106.1 | G1672 H1676 | G1672-I1674 PolarHBondContact O-N 3.26Å; I1674-H1676 PolarHBondContact O-N 2.91Å | ||
| 1675 | H | 25.5 | Very low | 39.9 | Very low | 166 Ų | 166 | 115.9 Ų | 115.9 | 77% | 0.769 | 64% | 0.644 | S | S | * | * | trans | -62.1 | 97.7 | 170.2 | -83.8 | -88.4 | 0 | 0 | 0 | 108.7 | G1673 Q1677 | G1673-H1675 PolarHBondContact O-N 2.86Å; H1675-Q1677 PolarHBondContact O-N 3.37Å | ||
| 1676 | H | 33.5 | Very low | 42.4 | Very low | 146 Ų | 146 | 110 Ų | 110 | 68% | 0.676 | 62% | 0.616 | S | S | * | * | trans | -56.8 | 92.9 | 154.8 | -99.9 | -69.8 | 0 | 0 | 0 | 106.9 | I1674 A1678 | I1674-H1676 PolarHBondContact O-N 2.91Å; H1676-A1678 VanDerWaalsContact C-N 3.28Å; H1676-A1678 PolarHBondContact O-N 3.39Å | ||
| 1677 | Q | 37.2 | Very low | 45.2 | Very low | 158 Ų | 158 | 101.3 Ų | 101.3 | 74% | 0.738 | 58% | 0.576 | S | S | * | * | trans | -66.2 | 98.4 | 166.1 | -98.9 | 177.5 | -22.9 | 0 | 0 | 106.5 | H1675 L1679 | H1675-Q1677 PolarHBondContact O-N 3.37Å; Q1677-L1679 PolarHBondContact O-N 3.18Å | ||
| 1678 | A | 45.7 | Very low | 47.7 | Very low | 75 Ų | 75 | 97.8 Ų | 97.8 | 62% | 0.62 | 54% | 0.544 | S | S | * | . | trans | -54.3 | 128.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108 | H1676 S1680 | H1676-A1678 VanDerWaalsContact C-N 3.28Å; H1676-A1678 PolarHBondContact O-N 3.39Å; A1678-S1680 PolarHBondContact O-N 2.88Å | ||
| 1679 | L | 53.4 | Low | 50.3 | Low | 18 Ų | 18 | 94.9 Ų | 94.9 | 9% | 0.094 | 52% | 0.524 | C | S | . | . | trans | -37.7 | 132 | 167.6 | -81.9 | 148.3 | 0 | 0 | 0 | 109.2 | F1584 Q1677 E1683 R1684 | F1584-L1679 HydrophobicContact CD2-CD2 4.08Å; F1584-L1679 HydrophobicContact CE1-CD2 4.39Å; F1584-L1679 HydrophobicContact CE2-CD1 4.5Å; F1584-L1679 HydrophobicContact CE2-CD2 3.47Å; F1584-L1679 VanDerWaalsContact CE2-CD2 3.47Å; F1584-L1679 HydrophobicContact CE2-CG 3.96Å; F1584-L1679 HydrophobicContact CZ-CD1 4.09Å; F1584-L1679 HydrophobicContact CZ-CD2 3.66Å; F1584-L1679 HydrophobicContact CZ-CG 4.04Å; Q1677-L1679 PolarHBondContact O-N 3.18Å; L1679-E1683 HydrophobicContact CB-CB 4.44Å; L1679-E1683 HydrophobicContact CD2-CB 3.51Å; L1679-R1684 HydrophobicContact CB-CB 4.18Å; L1679-R1684 PolarHBondContact O-NH1 3.15Å | ||
| 1680 | S | 58.5 | Low | 52.9 | Low | 55 Ų | 55 | 89.6 Ų | 89.6 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | trans | -57 | 153 | 171.2 | 68.3 | 0 | 0 | 0 | 0 | 109.3 | A1678 M1682 E1683 R1684 | A1678-S1680 PolarHBondContact O-N 2.88Å; S1680-M1682 PolarHBondContact O-N 3.36Å; S1680-M1682 VanDerWaalsContact O-N 3.11Å; S1680-E1683 VanDerWaalsContact CB-OE2 3.31Å; S1680-E1683 WeakPolarHBondContact CB-OE2 3.19Å; S1680-E1683 PolarHBondContact N-OE2 3.41Å; S1680-E1683 PolarHBondContact O-N 3.18Å; S1680-E1683 VanDerWaalsContact O-N 3.1Å; S1680-E1683 WeakPolarHBondContact OG-CG 3.35Å; S1680-E1683 PolarHBondContact OG-N 2.72Å; S1680-E1683 PolarHBondContact OG-OE2 3.25Å; S1680-R1684 WeakPolarHBondContact O-CB 3.27Å; S1680-R1684 PolarHBondContact O-N 3.39Å | ||
| 1681 | N | 62.1 | Low | 55.7 | Low | 131 Ų | 131 | 82.7 Ų | 82.7 | 70% | 0.701 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -56.3 | -32.6 | -179.1 | -76.7 | -14.9 | 0 | 0 | 0 | 112.3 | T1685 | N1681-T1685 PolarHBondContact O-N 2.9Å; N1681-T1685 PolarHBondContact O-OG1 2.84Å; N1681-T1685 VanDerWaalsContact O-OG1 3.13Å |
| 1682 | M | 66.3 | Low | 58.5 | Low | 145 Ų | 145 | 74.7 Ų | 74.7 | 71% | 0.714 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.1 | -50.7 | 175.2 | -171.8 | 64.2 | 71.1 | 0 | 0 | 112 | S1680 R1684 T1685 E1686 | S1680-M1682 PolarHBondContact O-N 3.36Å; S1680-M1682 VanDerWaalsContact O-N 3.11Å; M1682-R1684 VanDerWaalsContact C-N 3.28Å; M1682-R1684 PolarHBondContact O-N 3.36Å; M1682-T1685 PolarHBondContact O-N 2.9Å; M1682-E1686 PolarHBondContact O-N 2.89Å |
| 1683 | E | 67.2 | Low | 61.4 | Low | 87 Ų | 87 | 72.6 Ų | 72.6 | 41% | 0.407 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64 | -35.4 | 178.5 | -66.2 | 160.5 | 148.3 | 0 | 0 | 111.5 | L1679 S1680 E1686 W1687 | L1679-E1683 HydrophobicContact CB-CB 4.44Å; L1679-E1683 HydrophobicContact CD2-CB 3.51Å; S1680-E1683 VanDerWaalsContact CB-OE2 3.31Å; S1680-E1683 WeakPolarHBondContact CB-OE2 3.19Å; S1680-E1683 PolarHBondContact N-OE2 3.41Å; S1680-E1683 PolarHBondContact O-N 3.18Å; S1680-E1683 VanDerWaalsContact O-N 3.1Å; S1680-E1683 WeakPolarHBondContact OG-CG 3.35Å; S1680-E1683 PolarHBondContact OG-N 2.72Å; S1680-E1683 PolarHBondContact OG-OE2 3.25Å; E1683-E1686 PolarHBondContact O-N 3.35Å; E1683-W1687 WeakPolarHBondContact O-CB 3.29Å; E1683-W1687 PolarHBondContact O-N 3.04Å |
| 1684 | R | 67.4 | Low | 64.3 | Low | 52 Ų | 52 | 72.1 Ų | 72.1 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.7 | -172.7 | -175.9 | -99.4 | 97.3 | -6.3 | 111.1 | F1627 L1679 S1680 M1682 M1688 | F1627-R1684 HydrophobicContact CD1-CG 4.25Å; F1627-R1684 HydrophobicContact CE1-CG 3.35Å; F1627-R1684 HydrophobicContact CZ-CG 3.98Å; L1679-R1684 HydrophobicContact CB-CB 4.18Å; L1679-R1684 PolarHBondContact O-NH1 3.15Å; S1680-R1684 WeakPolarHBondContact O-CB 3.27Å; S1680-R1684 PolarHBondContact O-N 3.39Å; M1682-R1684 VanDerWaalsContact C-N 3.28Å; M1682-R1684 PolarHBondContact O-N 3.36Å; R1684-M1688 WeakPolarHBondContact O-CB 2.84Å; R1684-M1688 PolarHBondContact O-N 2.85Å; R1684-M1688 VanDerWaalsContact O-N 3.14Å |
| 1685 | T | 72.7 | Confident | 67.3 | Low | 55 Ų | 55 | 64.5 Ų | 64.5 | 34% | 0.337 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 175.5 | -66.1 | 0 | 0 | 0 | 0 | 112 | N1681 M1682 M1688 N1689 | N1681-T1685 PolarHBondContact O-N 2.9Å; N1681-T1685 PolarHBondContact O-OG1 2.84Å; N1681-T1685 VanDerWaalsContact O-OG1 3.13Å; M1682-T1685 PolarHBondContact O-N 2.9Å; T1685-M1688 PolarHBondContact O-N 3.3Å; T1685-N1689 WeakPolarHBondContact O-CB 3.19Å; T1685-N1689 PolarHBondContact O-N 2.82Å; T1685-N1689 PolarHBondContact O-ND2 3.07Å |
| 1686 | E | 78.4 | Confident | 70.3 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.2 | -50.8 | 175.7 | -172.8 | -157.9 | 128.8 | 0 | 0 | 110.9 | L1587 R1590 M1682 E1683 M1688 N1689 T1690 | L1587-E1686 WeakPolarHBondContact CD1-OE1 3.31Å; R1590-E1686 IonicContact CZ-OE1 3.67Å; R1590-E1686 IonicContact NH2-OE1 3.99Å; R1590-E1686 PolarHBondContact NH2-OE1 3.28Å; M1682-E1686 PolarHBondContact O-N 2.89Å; E1683-E1686 PolarHBondContact O-N 3.35Å; E1686-M1688 VanDerWaalsContact C-N 3.27Å; E1686-M1688 PolarHBondContact O-N 2.91Å; E1686-N1689 PolarHBondContact O-N 3.12Å; E1686-N1689 VanDerWaalsContact O-N 3.13Å; E1686-T1690 HydrophobicContact CG-CG2 4.35Å; E1686-T1690 PolarHBondContact O-N 2.97Å; E1686-T1690 PolarHBondContact O-OG1 3.31Å |
| 1687 | W | 79.5 | Confident | 73 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.3 | -44.7 | 177.5 | -177.6 | -83.6 | 0 | 0 | 0 | 112.2 | I1557 N1558 F1584 V1623 F1627 E1683 T1691 C1692 | I1557-W1687 VanDerWaalsContact O-CH2 3.3Å; I1557-W1687 WeakPolarHBondContact O-CH2 3.28Å; N1558-W1687 VanDerWaalsContact OD1-CH2 3.26Å; N1558-W1687 WeakPolarHBondContact OD1-CH2 3.28Å; N1558-W1687 WeakPolarHBondContact OD1-CZ2 3.39Å; F1584-W1687 HydrophobicContact CD1-CE3 4.06Å; F1584-W1687 AromaticContact CD1-CZ3 3.67Å; F1584-W1687 HydrophobicContact CD1-CZ3 3.67Å; F1584-W1687 AromaticContact CE1-CE3 3.67Å; F1584-W1687 HydrophobicContact CE1-CE3 3.67Å; F1584-W1687 HydrophobicContact CE1-CH2 4.06Å; F1584-W1687 AromaticContact CE1-CZ3 3.33Å; F1584-W1687 HydrophobicContact CE1-CZ3 3.33Å; V1623-W1687 HydrophobicContact CG1-CZ2 4.16Å; V1623-W1687 PolarHBondContact O-NE1 2.83Å; F1627-W1687 AromaticContact CE2-CD1 3.45Å; F1627-W1687 VanDerWaalsContact CE2-CD1 3.45Å; F1627-W1687 HydrophobicContact CE2-CG 4.49Å; F1627-W1687 AromaticContact CE2-NE1 3.82Å; F1627-W1687 AromaticContact CZ-CD1 3.65Å; F1627-W1687 HydrophobicContact CZ-CG 4.41Å; E1683-W1687 WeakPolarHBondContact O-CB 3.29Å; E1683-W1687 PolarHBondContact O-N 3.04Å; W1687-T1691 HydrophobicContact CD2-CG2 4.46Å; W1687-T1691 HydrophobicContact CH2-CG2 4.11Å; W1687-T1691 HydrophobicContact CZ2-CG2 3.84Å; W1687-T1691 WeakPolarHBondContact O-CA 3.27Å; W1687-T1691 WeakPolarHBondContact O-CB 3.35Å; W1687-T1691 PolarHBondContact O-N 3.28Å; W1687-T1691 PolarHBondContact O-OG1 3.28Å; W1687-C1692 VanDerWaalsContact CD1-SG 3.52Å; W1687-C1692 PolarHBondContact O-N 3.21Å; W1687-C1692 VanDerWaalsContact O-N 3.08Å |
| 1688 | M | 78.3 | Confident | 75.6 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 6% | 0.059 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -67.2 | -39.6 | -178.5 | -157 | 136.5 | 53.7 | 0 | 0 | 111.5 | F1627 R1684 T1685 E1686 C1692 N1693 H1730 L1733 | F1627-M1688 HydrophobicContact CD1-SD 4.01Å; F1627-M1688 HydrophobicContact CE1-CE 3.92Å; F1627-M1688 HydrophobicContact CE1-SD 3.58Å; F1627-M1688 VanDerWaalsContact CE1-SD 3.58Å; F1627-M1688 HydrophobicContact CZ-CB 4.36Å; F1627-M1688 HydrophobicContact CZ-SD 3.99Å; R1684-M1688 WeakPolarHBondContact O-CB 2.84Å; R1684-M1688 PolarHBondContact O-N 2.85Å; R1684-M1688 VanDerWaalsContact O-N 3.14Å; T1685-M1688 PolarHBondContact O-N 3.3Å; E1686-M1688 VanDerWaalsContact C-N 3.27Å; E1686-M1688 PolarHBondContact O-N 2.91Å; M1688-C1692 HydrophobicContact CG-CB 4.38Å; M1688-C1692 WeakPolarHBondContact O-CB 3.26Å; M1688-N1693 PolarHBondContact O-N 3.48Å; M1688-N1693 PolarHBondContact O-OD1 3.08Å; M1688-H1730 HydrophobicContact CE-CB 3.27Å; M1688-H1730 WeakPolarHBondContact CE-CD2 3.46Å; M1688-H1730 HydrophobicContact SD-CB 4.09Å; M1688-L1733 HydrophobicContact CG-CB 3.85Å; M1688-L1733 HydrophobicContact CG-CD1 4.43Å; M1688-L1733 HydrophobicContact CG-CD2 3.72Å; M1688-L1733 HydrophobicContact CG-CG 4.21Å; M1688-L1733 HydrophobicContact SD-CB 4.23Å; M1688-L1733 HydrophobicContact SD-CD2 3.44Å; M1688-L1733 WeakPolarHBondContact SD-CD2 3.22Å; M1688-L1733 HydrophobicContact SD-CG 4.42Å |
| 1689 | N | 79.4 | Confident | 77.8 | Confident | 66 Ų | 66 | 43 Ų | 43 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -74.9 | -37.7 | -180 | -74.9 | -31.5 | 0 | 0 | 0 | 114.2 | T1685 E1686 N1693 H1730 Q1732 | T1685-N1689 WeakPolarHBondContact O-CB 3.19Å; T1685-N1689 PolarHBondContact O-N 2.82Å; T1685-N1689 PolarHBondContact O-ND2 3.07Å; E1686-N1689 PolarHBondContact O-N 3.12Å; E1686-N1689 VanDerWaalsContact O-N 3.13Å; N1689-N1693 WeakPolarHBondContact CA-ND2 3.48Å; N1689-N1693 PolarHBondContact O-ND2 2.91Å; N1689-H1730 PolarHBondContact OD1-CE1 2.93Å; N1689-Q1732 WeakPolarHBondContact OD1-CG 3.4Å |
| 1690 | T | 79.8 | Confident | 79.5 | Confident | 41 Ų | 41 | 42.1 Ų | 42.1 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -97.4 | -36.2 | -173.8 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | L1587 R1590 E1686 H1694 | L1587-T1690 HydrophobicContact CD1-CG2 3.77Å; L1587-T1690 WeakPolarHBondContact CD1-OG1 3.29Å; L1587-T1690 HydrophobicContact CD2-CG2 4.39Å; R1590-T1690 PolarHBondContact NH2-OG1 3.03Å; E1686-T1690 HydrophobicContact CG-CG2 4.35Å; E1686-T1690 PolarHBondContact O-N 2.97Å; E1686-T1690 PolarHBondContact O-OG1 3.31Å; T1690-H1694 WeakPolarHBondContact O-CB 3.46Å |
| 1691 | T | 85.7 | Confident | 81.1 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -103.4 | -54.7 | -170.4 | -43.4 | 0 | 0 | 0 | 0 | 111 | I1557 R1590 L1594 V1623 W1687 H1694 T1695 | I1557-T1691 HydrophobicContact CG2-CG2 4.29Å; R1590-T1691 PolarHBondContact NE-OG1 3.47Å; L1594-T1691 HydrophobicContact CD2-CG2 4.19Å; V1623-T1691 HydrophobicContact CG1-CG2 3.98Å; W1687-T1691 HydrophobicContact CD2-CG2 4.46Å; W1687-T1691 HydrophobicContact CH2-CG2 4.11Å; W1687-T1691 HydrophobicContact CZ2-CG2 3.84Å; W1687-T1691 WeakPolarHBondContact O-CA 3.27Å; W1687-T1691 WeakPolarHBondContact O-CB 3.35Å; W1687-T1691 PolarHBondContact O-N 3.28Å; W1687-T1691 PolarHBondContact O-OG1 3.28Å; T1691-H1694 PolarHBondContact O-N 2.9Å; T1691-T1695 VanDerWaalsContact O-CB 3.26Å; T1691-T1695 WeakPolarHBondContact O-CB 3.5Å; T1691-T1695 PolarHBondContact O-N 2.88Å; T1691-T1695 PolarHBondContact O-OG1 3.13Å |
| 1692 | C | 84.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -62.6 | -46.5 | -179.7 | -67.9 | 0 | 0 | 0 | 0 | 112 | F1624 W1687 M1688 T1695 L1696 L1733 | F1624-C1692 HydrophobicContact CD1-CB 4.15Å; F1624-C1692 HydrophobicContact CE1-CB 3.77Å; W1687-C1692 VanDerWaalsContact CD1-SG 3.52Å; W1687-C1692 PolarHBondContact O-N 3.21Å; W1687-C1692 VanDerWaalsContact O-N 3.08Å; M1688-C1692 HydrophobicContact CG-CB 4.38Å; M1688-C1692 WeakPolarHBondContact O-CB 3.26Å; C1692-T1695 PolarHBondContact O-N 2.9Å; C1692-L1696 WeakPolarHBondContact O-CB 3.42Å; C1692-L1696 PolarHBondContact O-N 3.45Å; C1692-L1733 HydrophobicContact CB-CD1 4.07Å |
| 1693 | N | 83.8 | Confident | 83.7 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 8% | 0.08 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -48.9 | 177.8 | -70.1 | -17.5 | 0 | 0 | 0 | 111.9 | M1688 N1689 T1695 L1696 F1697 S1736 | M1688-N1693 PolarHBondContact O-N 3.48Å; M1688-N1693 PolarHBondContact O-OD1 3.08Å; N1689-N1693 WeakPolarHBondContact CA-ND2 3.48Å; N1689-N1693 PolarHBondContact O-ND2 2.91Å; N1693-T1695 VanDerWaalsContact C-N 3.29Å; N1693-T1695 PolarHBondContact O-N 2.66Å; N1693-L1696 PolarHBondContact O-N 3.35Å; N1693-F1697 WeakPolarHBondContact O-CD2 3.41Å; N1693-F1697 PolarHBondContact O-N 3.4Å; N1693-F1697 VanDerWaalsContact O-N 3.11Å; N1693-S1736 WeakPolarHBondContact OD1-CB 3.49Å; N1693-S1736 PolarHBondContact OD1-OG 2.88Å |
| 1694 | H | 84.6 | Confident | 84.9 | Confident | 62 Ų | 62 | 27.7 Ų | 27.7 | 29% | 0.287 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.8 | -41 | 178.4 | -174.6 | -56 | 0 | 0 | 0 | 111.2 | L1594 T1690 T1691 S1698 | L1594-H1694 HydrophobicContact CD2-CB 3.69Å; T1690-H1694 WeakPolarHBondContact O-CB 3.46Å; T1691-H1694 PolarHBondContact O-N 2.9Å; H1694-S1698 PolarHBondContact CE1-OG 3.22Å; H1694-S1698 VanDerWaalsContact CE1-OG 3.31Å; H1694-S1698 PolarHBondContact ND1-OG 3.46Å; H1694-S1698 VanDerWaalsContact ND1-OG 3.12Å; H1694-S1698 VanDerWaalsContact O-CB 3.27Å; H1694-S1698 WeakPolarHBondContact O-CB 3.21Å; H1694-S1698 PolarHBondContact O-N 3.14Å; H1694-S1698 PolarHBondContact O-OG 3.11Å |
| 1695 | T | 90.3 | Very high | 86 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 177 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | F1598 I1620 V1623 F1624 T1691 C1692 N1693 S1698 V1699 | F1598-T1695 HydrophobicContact CE2-CG2 4.19Å; F1598-T1695 HydrophobicContact CZ-CG2 3.86Å; I1620-T1695 HydrophobicContact CG2-CG2 3.66Å; V1623-T1695 HydrophobicContact CB-CG2 4.34Å; V1623-T1695 HydrophobicContact CG1-CG2 4.38Å; V1623-T1695 HydrophobicContact CG2-CG2 4.37Å; F1624-T1695 HydrophobicContact CE2-CG2 3.96Å; F1624-T1695 HydrophobicContact CZ-CG2 4Å; T1691-T1695 VanDerWaalsContact O-CB 3.26Å; T1691-T1695 WeakPolarHBondContact O-CB 3.5Å; T1691-T1695 PolarHBondContact O-N 2.88Å; T1691-T1695 PolarHBondContact O-OG1 3.13Å; C1692-T1695 PolarHBondContact O-N 2.9Å; N1693-T1695 VanDerWaalsContact C-N 3.29Å; N1693-T1695 PolarHBondContact O-N 2.66Å; T1695-S1698 PolarHBondContact O-N 3.16Å; T1695-V1699 HydrophobicContact CG2-CG2 4.41Å; T1695-V1699 WeakPolarHBondContact O-CB 3.14Å; T1695-V1699 VanDerWaalsContact O-CG2 3.28Å; T1695-V1699 WeakPolarHBondContact O-CG2 3.38Å; T1695-V1699 PolarHBondContact O-N 3.25Å |
| 1696 | L | 88.1 | Confident | 87 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -47.8 | -177.2 | -165.2 | 66.6 | 0 | 0 | 0 | 112.3 | F1624 C1692 N1693 V1699 V1700 L1722 C1725 C1740 | F1624-L1696 HydrophobicContact CZ-CB 4.36Å; F1624-L1696 HydrophobicContact CZ-CD1 4.17Å; C1692-L1696 WeakPolarHBondContact O-CB 3.42Å; C1692-L1696 PolarHBondContact O-N 3.45Å; N1693-L1696 PolarHBondContact O-N 3.35Å; L1696-V1699 WeakPolarHBondContact O-CB 3.21Å; L1696-V1699 PolarHBondContact O-N 3.19Å; L1696-V1700 PolarHBondContact O-N 3.15Å; L1696-V1700 VanDerWaalsContact O-N 3.15Å; L1696-L1722 HydrophobicContact CD1-CD2 3.96Å; L1696-L1722 HydrophobicContact CD2-CD2 4.41Å; L1696-L1722 HydrophobicContact CG-CD2 4.29Å; L1696-C1725 HydrophobicContact CD2-CB 4.2Å; L1696-C1740 HydrophobicContact CD2-CB 4.13Å; L1696-C1740 HydrophobicContact CG-CB 4.07Å |
| 1697 | F | 90.8 | Very high | 87.5 | Confident | 72 Ų | 72 | 25 Ų | 25 | 32% | 0.316 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -64.6 | -42 | 175.3 | -79.9 | -77.2 | 0 | 0 | 0 | 111.7 | N1693 V1699 V1700 D1701 C1740 | N1693-F1697 WeakPolarHBondContact O-CD2 3.41Å; N1693-F1697 PolarHBondContact O-N 3.4Å; N1693-F1697 VanDerWaalsContact O-N 3.11Å; F1697-V1699 VanDerWaalsContact C-N 3.3Å; F1697-V1699 PolarHBondContact O-N 3Å; F1697-V1700 PolarHBondContact O-N 3.07Å; F1697-D1701 PolarHBondContact O-N 3.43Å; F1697-C1740 WeakPolarHBondContact CD1-SG 3.29Å; F1697-C1740 VanDerWaalsContact CE1-SG 3.55Å |
| 1698 | S | 91.7 | Very high | 87.8 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.4 | -34.7 | 178.6 | -56 | 0 | 0 | 0 | 0 | 112.2 | F1598 H1694 T1695 D1701 I1702 | F1598-S1698 VanDerWaalsContact CD1-CB 3.4Å; F1598-S1698 VanDerWaalsContact CD2-CB 3.46Å; H1694-S1698 PolarHBondContact CE1-OG 3.22Å; H1694-S1698 VanDerWaalsContact CE1-OG 3.31Å; H1694-S1698 PolarHBondContact ND1-OG 3.46Å; H1694-S1698 VanDerWaalsContact ND1-OG 3.12Å; H1694-S1698 VanDerWaalsContact O-CB 3.27Å; H1694-S1698 WeakPolarHBondContact O-CB 3.21Å; H1694-S1698 PolarHBondContact O-N 3.14Å; H1694-S1698 PolarHBondContact O-OG 3.11Å; T1695-S1698 PolarHBondContact O-N 3.16Å; S1698-D1701 PolarHBondContact O-N 2.78Å; S1698-I1702 WeakPolarHBondContact O-CB 3.46Å; S1698-I1702 VanDerWaalsContact O-CG1 3.24Å; S1698-I1702 WeakPolarHBondContact O-CG1 3.26Å; S1698-I1702 PolarHBondContact O-N 2.65Å |
| 1699 | V | 90.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 172.7 | 154.2 | 0 | 0 | 0 | 0 | 110.9 | F1598 F1617 I1620 T1695 L1696 F1697 F1703 I1718 | F1598-V1699 HydrophobicContact CE1-CG2 4.36Å; F1598-V1699 HydrophobicContact CZ-CG2 4.36Å; F1617-V1699 HydrophobicContact CE1-CG1 3.96Å; F1617-V1699 HydrophobicContact CE1-CG2 4.23Å; I1620-V1699 HydrophobicContact CG2-CG2 3.58Å; T1695-V1699 HydrophobicContact CG2-CG2 4.41Å; T1695-V1699 WeakPolarHBondContact O-CB 3.14Å; T1695-V1699 VanDerWaalsContact O-CG2 3.28Å; T1695-V1699 WeakPolarHBondContact O-CG2 3.38Å; T1695-V1699 PolarHBondContact O-N 3.25Å; L1696-V1699 WeakPolarHBondContact O-CB 3.21Å; L1696-V1699 PolarHBondContact O-N 3.19Å; F1697-V1699 VanDerWaalsContact C-N 3.3Å; F1697-V1699 PolarHBondContact O-N 3Å; V1699-F1703 WeakPolarHBondContact O-CB 3.37Å; V1699-F1703 PolarHBondContact O-N 2.87Å; V1699-I1718 HydrophobicContact CG1-CG1 4.4Å |
| 1700 | V | 90.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | L1696 F1697 F1703 T1704 C1740 T1743 L1744 | L1696-V1700 PolarHBondContact O-N 3.15Å; L1696-V1700 VanDerWaalsContact O-N 3.15Å; F1697-V1700 PolarHBondContact O-N 3.07Å; V1700-F1703 PolarHBondContact O-N 2.86Å; V1700-T1704 VanDerWaalsContact O-CB 3.26Å; V1700-T1704 WeakPolarHBondContact O-CB 3.48Å; V1700-T1704 PolarHBondContact O-N 3.22Å; V1700-T1704 PolarHBondContact O-OG1 3.43Å; V1700-C1740 HydrophobicContact CG2-CB 3.86Å; V1700-T1743 HydrophobicContact CG1-CG2 4.15Å; V1700-L1744 HydrophobicContact CG1-CB 3.91Å; V1700-L1744 HydrophobicContact CG1-CD1 4.17Å; V1700-L1744 HydrophobicContact CG2-CB 4.43Å |
| 1701 | D | 90.9 | Very high | 89.1 | Confident | 80 Ų | 80 | 29.3 Ų | 29.3 | 43% | 0.428 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.7 | -49 | 178.9 | -78.6 | -2.4 | 0 | 0 | 0 | 111.9 | F1697 S1698 T1704 Q1705 | F1697-D1701 PolarHBondContact O-N 3.43Å; S1698-D1701 PolarHBondContact O-N 2.78Å; D1701-T1704 PolarHBondContact O-N 3.12Å; D1701-Q1705 WeakPolarHBondContact O-CB 3.25Å; D1701-Q1705 PolarHBondContact O-N 3.48Å |
| 1702 | I | 92.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 177.1 | -67.6 | -64.5 | 0 | 0 | 0 | 110.7 | F1598 L1601 K1602 W1613 F1617 S1698 T1704 Q1705 F1706 L1710 | F1598-I1702 HydrophobicContact CD1-CG1 4.05Å; L1601-I1702 HydrophobicContact CB-CD1 3.8Å; L1601-I1702 HydrophobicContact CB-CG1 4.35Å; K1602-I1702 HydrophobicContact CB-CD1 3.76Å; K1602-I1702 HydrophobicContact CG-CD1 4.2Å; W1613-I1702 HydrophobicContact CH2-CG2 3.76Å; W1613-I1702 HydrophobicContact CZ3-CG2 3.66Å; F1617-I1702 HydrophobicContact CE2-CG2 4.16Å; F1617-I1702 HydrophobicContact CZ-CG2 4.02Å; S1698-I1702 WeakPolarHBondContact O-CB 3.46Å; S1698-I1702 VanDerWaalsContact O-CG1 3.24Å; S1698-I1702 WeakPolarHBondContact O-CG1 3.26Å; S1698-I1702 PolarHBondContact O-N 2.65Å; I1702-T1704 VanDerWaalsContact C-N 3.27Å; I1702-T1704 PolarHBondContact O-N 3.13Å; I1702-Q1705 PolarHBondContact O-N 2.99Å; I1702-F1706 HydrophobicContact CG2-CD2 4.07Å; I1702-F1706 WeakPolarHBondContact O-CD2 3.39Å; I1702-F1706 PolarHBondContact O-N 3.38Å; I1702-L1710 HydrophobicContact CG2-CD1 4.4Å |
| 1703 | F | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 177.6 | -177.5 | -95.4 | 0 | 0 | 0 | 111.9 | V1699 V1700 F1706 Y1707 L1710 H1711 L1715 I1718 L1744 | V1699-F1703 WeakPolarHBondContact O-CB 3.37Å; V1699-F1703 PolarHBondContact O-N 2.87Å; V1700-F1703 PolarHBondContact O-N 2.86Å; F1703-F1706 CarbonylContact O-C 3.5Å; F1703-F1706 PolarHBondContact O-N 2.86Å; F1703-Y1707 HydrophobicContact CD1-CD2 4.26Å; F1703-Y1707 AromaticContact CE1-CD2 3.53Å; F1703-Y1707 HydrophobicContact CE1-CD2 3.53Å; F1703-Y1707 AromaticContact CE1-CE2 3.94Å; F1703-Y1707 HydrophobicContact CE1-CE2 3.94Å; F1703-Y1707 AromaticContact CZ-CD2 3.96Å; F1703-Y1707 HydrophobicContact CZ-CD2 3.96Å; F1703-Y1707 HydrophobicContact CZ-CE2 4.21Å; F1703-Y1707 WeakPolarHBondContact O-CA 3.46Å; F1703-Y1707 WeakPolarHBondContact O-CB 3.34Å; F1703-Y1707 PolarHBondContact O-N 2.84Å; F1703-L1710 HydrophobicContact CD2-CB 3.64Å; F1703-L1710 HydrophobicContact CD2-CD1 4.24Å; F1703-L1710 HydrophobicContact CE2-CB 3.75Å; F1703-H1711 HydrophobicContact CZ-CB 4.01Å; F1703-L1715 HydrophobicContact CE1-CD1 4.16Å; F1703-L1715 HydrophobicContact CZ-CB 4.29Å; F1703-L1715 HydrophobicContact CZ-CD1 3.76Å; F1703-I1718 HydrophobicContact CB-CD1 3.82Å; F1703-I1718 HydrophobicContact CD1-CD1 4.29Å; F1703-I1718 HydrophobicContact CD2-CD1 3.06Å; F1703-I1718 HydrophobicContact CE2-CD1 3.57Å; F1703-I1718 HydrophobicContact CG-CD1 3.46Å; F1703-I1718 VanDerWaalsContact CG-CD1 3.46Å; F1703-I1718 HydrophobicContact CZ-CD1 4.35Å; F1703-L1744 HydrophobicContact CD1-CD1 3.33Å; F1703-L1744 HydrophobicContact CE1-CD1 3.74Å; F1703-L1744 HydrophobicContact CG-CD1 4.3Å |
| 1704 | T | 91.4 | Very high | 89.2 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 19% | 0.19 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 179.3 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | V1700 D1701 I1702 F1706 S1747 N1748 | V1700-T1704 VanDerWaalsContact O-CB 3.26Å; V1700-T1704 WeakPolarHBondContact O-CB 3.48Å; V1700-T1704 PolarHBondContact O-N 3.22Å; V1700-T1704 PolarHBondContact O-OG1 3.43Å; D1701-T1704 PolarHBondContact O-N 3.12Å; I1702-T1704 VanDerWaalsContact C-N 3.27Å; I1702-T1704 PolarHBondContact O-N 3.13Å; T1704-F1706 VanDerWaalsContact C-N 3.34Å; T1704-F1706 PolarHBondContact O-N 3.36Å; T1704-S1747 WeakPolarHBondContact CG2-OG 3.35Å; T1704-S1747 PolarHBondContact OG1-OG 3.42Å; T1704-N1748 WeakPolarHBondContact CA-OD1 3.36Å; T1704-N1748 PolarHBondContact OG1-ND2 3.48Å |
| 1705 | Q | 92.2 | Very high | 89.4 | Confident | 89 Ų | 89 | 34.2 Ų | 34.2 | 42% | 0.416 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.2 | -38.6 | 179.4 | -177 | 173.2 | -23.5 | 0 | 0 | 112.2 | K1602 D1701 I1702 | K1602-Q1705 PolarHBondContact O-NE2 3.14Å; D1701-Q1705 WeakPolarHBondContact O-CB 3.25Å; D1701-Q1705 PolarHBondContact O-N 3.48Å; I1702-Q1705 PolarHBondContact O-N 2.99Å |
| 1706 | F | 92 | Very high | 89.3 | Confident | 25 Ų | 25 | 39.7 Ų | 39.7 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 26.8 | -177.2 | -58 | -70.7 | 0 | 0 | 0 | 113.7 | L1601 N1606 W1613 I1702 F1703 T1704 D1708 V1709 L1710 | L1601-F1706 WeakPolarHBondContact O-CE2 3.34Å; N1606-F1706 HydrophobicContact CB-CE1 3.92Å; W1613-F1706 AromaticContact CH2-CD2 3.6Å; W1613-F1706 HydrophobicContact CH2-CD2 3.6Å; W1613-F1706 AromaticContact CH2-CE2 3.78Å; W1613-F1706 HydrophobicContact CH2-CE2 3.78Å; W1613-F1706 HydrophobicContact CH2-CG 4.31Å; W1613-F1706 HydrophobicContact CZ2-CB 4.25Å; W1613-F1706 HydrophobicContact CZ2-CD1 4.31Å; W1613-F1706 AromaticContact CZ2-CD2 3.52Å; W1613-F1706 HydrophobicContact CZ2-CD2 3.52Å; W1613-F1706 AromaticContact CZ2-CE2 3.85Å; W1613-F1706 HydrophobicContact CZ2-CE2 3.85Å; W1613-F1706 AromaticContact CZ2-CG 3.77Å; W1613-F1706 HydrophobicContact CZ2-CG 3.77Å; W1613-F1706 HydrophobicContact CZ2-CZ 4.39Å; I1702-F1706 HydrophobicContact CG2-CD2 4.07Å; I1702-F1706 WeakPolarHBondContact O-CD2 3.39Å; I1702-F1706 PolarHBondContact O-N 3.38Å; F1703-F1706 CarbonylContact O-C 3.5Å; F1703-F1706 PolarHBondContact O-N 2.86Å; T1704-F1706 VanDerWaalsContact C-N 3.34Å; T1704-F1706 PolarHBondContact O-N 3.36Å; F1706-D1708 VanDerWaalsContact C-N 3.29Å; F1706-D1708 PolarHBondContact O-N 3.49Å; F1706-D1708 VanDerWaalsContact O-N 3.16Å; F1706-V1709 PolarHBondContact O-N 3.48Å; F1706-L1710 HydrophobicContact CB-CD1 3.73Å; F1706-L1710 HydrophobicContact CB-CG 3.96Å; F1706-L1710 WeakPolarHBondContact O-CG 3.2Å; F1706-L1710 PolarHBondContact O-N 3.26Å |
| 1707 | Y | 90.2 | Very high | 89.3 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -52.5 | -40.5 | -172.9 | 175 | -87.9 | 0 | 0 | 0 | 114.1 | F1703 V1709 L1710 H1711 N1748 R1751 F1752 | F1703-Y1707 HydrophobicContact CD1-CD2 4.26Å; F1703-Y1707 AromaticContact CE1-CD2 3.53Å; F1703-Y1707 HydrophobicContact CE1-CD2 3.53Å; F1703-Y1707 AromaticContact CE1-CE2 3.94Å; F1703-Y1707 HydrophobicContact CE1-CE2 3.94Å; F1703-Y1707 AromaticContact CZ-CD2 3.96Å; F1703-Y1707 HydrophobicContact CZ-CD2 3.96Å; F1703-Y1707 HydrophobicContact CZ-CE2 4.21Å; F1703-Y1707 WeakPolarHBondContact O-CA 3.46Å; F1703-Y1707 WeakPolarHBondContact O-CB 3.34Å; F1703-Y1707 PolarHBondContact O-N 2.84Å; Y1707-V1709 PolarHBondContact O-N 3.1Å; Y1707-V1709 VanDerWaalsContact O-N 3.16Å; Y1707-L1710 PolarHBondContact O-N 3.32Å; Y1707-H1711 HydrophobicContact CD1-CB 4.47Å; Y1707-H1711 HydrophobicContact CD2-CB 4.03Å; Y1707-H1711 HydrophobicContact CE1-CB 4.19Å; Y1707-H1711 HydrophobicContact CE2-CB 3.67Å; Y1707-H1711 HydrophobicContact CG-CB 4.41Å; Y1707-H1711 WeakPolarHBondContact O-CB 3.4Å; Y1707-H1711 PolarHBondContact O-N 2.88Å; Y1707-H1711 PolarHBondContact O-ND1 3.42Å; Y1707-N1748 HydrophobicContact CD2-CB 3.8Å; Y1707-N1748 HydrophobicContact CE2-CB 3.9Å; Y1707-N1748 HydrophobicContact CG-CB 4.49Å; Y1707-R1751 HydrophobicContact CD1-CB 4.23Å; Y1707-R1751 HydrophobicContact CE1-CB 3.68Å; Y1707-R1751 PolarHBondContact OH-O 3.32Å; Y1707-F1752 HydrophobicContact CE2-CD1 4Å; Y1707-F1752 AromaticContact CE2-CE1 3.62Å; Y1707-F1752 HydrophobicContact CE2-CE1 3.62Å; Y1707-F1752 AromaticContact CZ-CD1 3.86Å; Y1707-F1752 AromaticContact CZ-CE1 3.99Å; Y1707-F1752 WeakPolarHBondContact OH-CD1 3.39Å |
| 1708 | D | 85.5 | Confident | 89.3 | Confident | 115 Ų | 115 | 39.3 Ų | 39.3 | 62% | 0.615 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -57.1 | -35 | -178.4 | -64.9 | -49.7 | 0 | 0 | 0 | 112.2 | F1706 H1711 R1751 | F1706-D1708 VanDerWaalsContact C-N 3.29Å; F1706-D1708 PolarHBondContact O-N 3.49Å; F1706-D1708 VanDerWaalsContact O-N 3.16Å; D1708-H1711 PolarHBondContact O-ND1 3.22Å; D1708-R1751 IonicContact OD1-CZ 3.4Å; D1708-R1751 IonicContact OD1-NH2 3.99Å; D1708-R1751 PolarHBondContact OD1-NH2 3.36Å; D1708-R1751 IonicContact OD2-NH2 2.93Å; D1708-R1751 PolarHBondContact OD2-NH2 2.88Å |
| 1709 | V | 86 | Confident | 89.4 | Confident | 60 Ų | 60 | 39.1 Ų | 39.1 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -90.4 | -39.1 | 179.1 | -177.4 | 0 | 0 | 0 | 0 | 111 | P1610 F1706 Y1707 I1713 | P1610-V1709 HydrophobicContact CG-CG1 4.06Å; F1706-V1709 PolarHBondContact O-N 3.48Å; Y1707-V1709 PolarHBondContact O-N 3.1Å; Y1707-V1709 VanDerWaalsContact O-N 3.16Å; V1709-I1713 HydrophobicContact CG1-CD1 4.36Å; V1709-I1713 WeakPolarHBondContact O-CD1 3.47Å |
| 1710 | L | 89.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -85 | -26.8 | -167.3 | -66.2 | -176.4 | 0 | 0 | 0 | 114.6 | W1613 F1617 I1702 F1703 F1706 Y1707 D1712 I1713 L1714 | W1613-L1710 HydrophobicContact CB-CD2 3.43Å; W1613-L1710 VanDerWaalsContact CB-CD2 3.43Å; W1613-L1710 HydrophobicContact CD2-CD1 4.49Å; W1613-L1710 HydrophobicContact CD2-CD2 3.63Å; W1613-L1710 HydrophobicContact CE3-CD2 4.21Å; W1613-L1710 HydrophobicContact CG-CD2 3.29Å; F1617-L1710 HydrophobicContact CE2-CD1 4.08Å; F1617-L1710 HydrophobicContact CZ-CD1 4.19Å; I1702-L1710 HydrophobicContact CG2-CD1 4.4Å; F1703-L1710 HydrophobicContact CD2-CB 3.64Å; F1703-L1710 HydrophobicContact CD2-CD1 4.24Å; F1703-L1710 HydrophobicContact CE2-CB 3.75Å; F1706-L1710 HydrophobicContact CB-CD1 3.73Å; F1706-L1710 HydrophobicContact CB-CG 3.96Å; F1706-L1710 WeakPolarHBondContact O-CG 3.2Å; F1706-L1710 PolarHBondContact O-N 3.26Å; Y1707-L1710 PolarHBondContact O-N 3.32Å; L1710-D1712 PolarHBondContact O-N 2.73Å; L1710-I1713 PolarHBondContact O-N 2.66Å; L1710-I1713 VanDerWaalsContact O-N 3.12Å; L1710-L1714 HydrophobicContact CD2-CD1 3.87Å; L1710-L1714 PolarHBondContact O-N 3.02Å |
| 1711 | H | 87.9 | Confident | 89.3 | Confident | 35 Ų | 35 | 44.7 Ų | 44.7 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | -172.8 | 79.6 | -72.1 | 0 | 0 | 0 | 113 | F1703 Y1707 D1708 I1713 L1715 | F1703-H1711 HydrophobicContact CZ-CB 4.01Å; Y1707-H1711 HydrophobicContact CD1-CB 4.47Å; Y1707-H1711 HydrophobicContact CD2-CB 4.03Å; Y1707-H1711 HydrophobicContact CE1-CB 4.19Å; Y1707-H1711 HydrophobicContact CE2-CB 3.67Å; Y1707-H1711 HydrophobicContact CG-CB 4.41Å; Y1707-H1711 WeakPolarHBondContact O-CB 3.4Å; Y1707-H1711 PolarHBondContact O-N 2.88Å; Y1707-H1711 PolarHBondContact O-ND1 3.42Å; D1708-H1711 PolarHBondContact O-ND1 3.22Å; H1711-I1713 PolarHBondContact O-N 3.12Å; H1711-L1715 WeakPolarHBondContact O-CB 3.1Å; H1711-L1715 PolarHBondContact O-N 3.12Å |
| 1712 | D | 82.9 | Confident | 89.4 | Confident | 134 Ų | 134 | 41 Ų | 41 | 72% | 0.717 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -68.3 | -20.5 | 178.4 | -76.6 | -35 | 0 | 0 | 0 | 113.3 | L1710 | L1710-D1712 PolarHBondContact O-N 2.73Å |
| 1713 | I | 84.4 | Confident | 89.4 | Confident | 34 Ų | 34 | 44.9 Ų | 44.9 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -104.4 | -39.6 | -169.1 | -51.2 | 167.6 | 0 | 0 | 0 | 111.7 | P1610 R1614 V1709 L1710 H1711 | P1610-I1713 VanDerWaalsContact CA-CD1 3.46Å; P1610-I1713 HydrophobicContact CB-CD1 3.4Å; P1610-I1713 VanDerWaalsContact CB-CD1 3.4Å; P1610-I1713 HydrophobicContact CG-CD1 4.17Å; R1614-I1713 HydrophobicContact CB-CG2 4Å; V1709-I1713 HydrophobicContact CG1-CD1 4.36Å; V1709-I1713 WeakPolarHBondContact O-CD1 3.47Å; L1710-I1713 PolarHBondContact O-N 2.66Å; L1710-I1713 VanDerWaalsContact O-N 3.12Å; H1711-I1713 PolarHBondContact O-N 3.12Å |
| 1714 | L | 89 | Confident | 89.3 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -128.3 | -4.8 | -162.6 | -68.3 | 177.9 | 0 | 0 | 0 | 114.8 | F1617 L1710 D1716 D1717 I1718 | F1617-L1714 HydrophobicContact CB-CD1 3.74Å; F1617-L1714 HydrophobicContact CB-CD2 3.87Å; F1617-L1714 HydrophobicContact CB-CG 4.49Å; F1617-L1714 HydrophobicContact CD1-CD1 3.8Å; F1617-L1714 HydrophobicContact CD2-CD1 3.28Å; F1617-L1714 HydrophobicContact CE1-CD1 4.14Å; F1617-L1714 HydrophobicContact CE2-CD1 3.68Å; F1617-L1714 HydrophobicContact CG-CD1 3.33Å; F1617-L1714 HydrophobicContact CG-CD2 4.35Å; F1617-L1714 HydrophobicContact CG-CG 4.46Å; F1617-L1714 HydrophobicContact CZ-CD1 4.09Å; L1710-L1714 HydrophobicContact CD2-CD1 3.87Å; L1710-L1714 PolarHBondContact O-N 3.02Å; L1714-D1716 VanDerWaalsContact C-N 3.31Å; L1714-D1716 PolarHBondContact O-N 3.34Å; L1714-D1717 PolarHBondContact O-N 2.86Å; L1714-I1718 HydrophobicContact CB-CD1 4.31Å; L1714-I1718 WeakPolarHBondContact O-CG1 3.45Å; L1714-I1718 PolarHBondContact O-N 3.27Å |
| 1715 | L | 90 | Very high | 89.1 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59 | -44 | -175.8 | -178.3 | 67.9 | 0 | 0 | 0 | 111.9 | F1703 H1711 D1717 I1718 Y1719 I1756 | F1703-L1715 HydrophobicContact CE1-CD1 4.16Å; F1703-L1715 HydrophobicContact CZ-CB 4.29Å; F1703-L1715 HydrophobicContact CZ-CD1 3.76Å; H1711-L1715 WeakPolarHBondContact O-CB 3.1Å; H1711-L1715 PolarHBondContact O-N 3.12Å; L1715-D1717 PolarHBondContact O-N 3.2Å; L1715-I1718 PolarHBondContact O-N 3.34Å; L1715-Y1719 HydrophobicContact CD1-CD1 4.07Å; L1715-Y1719 HydrophobicContact CD1-CE1 3.51Å; L1715-Y1719 HydrophobicContact CD1-CE2 4.13Å; L1715-Y1719 HydrophobicContact CD2-CE2 4.2Å; L1715-Y1719 HydrophobicContact CG-CD2 4.31Å; L1715-Y1719 HydrophobicContact CG-CE1 4.2Å; L1715-Y1719 HydrophobicContact CG-CE2 3.99Å; L1715-Y1719 WeakPolarHBondContact O-CB 3.41Å; L1715-Y1719 PolarHBondContact O-N 2.86Å; L1715-I1756 HydrophobicContact CD2-CB 4.36Å; L1715-I1756 HydrophobicContact CD2-CD1 4.28Å; L1715-I1756 HydrophobicContact CD2-CG1 3.87Å; L1715-I1756 HydrophobicContact CD2-CG2 3.72Å |
| 1716 | D | 87.8 | Confident | 88.9 | Confident | 116 Ų | 116 | 41 Ų | 41 | 62% | 0.62 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -63.7 | -40.6 | 178 | -70.9 | -21.6 | 0 | 0 | 0 | 111.7 | L1714 Y1719 Q1720 | L1714-D1716 VanDerWaalsContact C-N 3.31Å; L1714-D1716 PolarHBondContact O-N 3.34Å; D1716-Y1719 PolarHBondContact O-N 3.1Å; D1716-Q1720 WeakPolarHBondContact O-CB 3.47Å; D1716-Q1720 PolarHBondContact O-N 3.39Å |
| 1717 | D | 88.3 | Confident | 88.7 | Confident | 63 Ų | 63 | 42.1 Ų | 42.1 | 34% | 0.337 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 177.1 | -64.6 | -42.3 | 0 | 0 | 0 | 111.5 | F1621 L1714 L1715 Q1720 Q1721 | F1621-D1717 HydrophobicContact CE2-CB 3.74Å; F1621-D1717 HydrophobicContact CZ-CB 4.32Å; L1714-D1717 PolarHBondContact O-N 2.86Å; L1715-D1717 PolarHBondContact O-N 3.2Å; D1717-Q1720 PolarHBondContact O-N 2.72Å; D1717-Q1721 WeakPolarHBondContact O-CB 3.2Å; D1717-Q1721 PolarHBondContact O-N 3.3Å |
| 1718 | I | 90.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | 176 | -71 | 170.7 | 0 | 0 | 0 | 110.7 | F1617 F1621 V1699 F1703 L1714 L1715 Q1721 L1722 L1744 | F1617-I1718 HydrophobicContact CE1-CD1 4.26Å; F1621-I1718 HydrophobicContact CZ-CG1 3.9Å; V1699-I1718 HydrophobicContact CG1-CG1 4.4Å; F1703-I1718 HydrophobicContact CB-CD1 3.82Å; F1703-I1718 HydrophobicContact CD1-CD1 4.29Å; F1703-I1718 HydrophobicContact CD2-CD1 3.06Å; F1703-I1718 HydrophobicContact CE2-CD1 3.57Å; F1703-I1718 HydrophobicContact CG-CD1 3.46Å; F1703-I1718 VanDerWaalsContact CG-CD1 3.46Å; F1703-I1718 HydrophobicContact CZ-CD1 4.35Å; L1714-I1718 HydrophobicContact CB-CD1 4.31Å; L1714-I1718 WeakPolarHBondContact O-CG1 3.45Å; L1714-I1718 PolarHBondContact O-N 3.27Å; L1715-I1718 PolarHBondContact O-N 3.34Å; I1718-Q1721 PolarHBondContact O-N 3.43Å; I1718-L1722 HydrophobicContact CG2-CD1 3.82Å; I1718-L1722 HydrophobicContact CG2-CG 4.3Å; I1718-L1722 WeakPolarHBondContact O-CB 3.12Å; I1718-L1722 WeakPolarHBondContact O-CG 3.45Å; I1718-L1722 PolarHBondContact O-N 2.87Å; I1718-L1744 HydrophobicContact CG2-CD2 3.98Å |
| 1719 | Y | 93.5 | Very high | 88.1 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 174.8 | -78.3 | 2.1 | 0 | 0 | 0 | 111.5 | L1715 D1716 Q1721 L1722 R1723 L1744 T1760 L1763 | L1715-Y1719 HydrophobicContact CD1-CD1 4.07Å; L1715-Y1719 HydrophobicContact CD1-CE1 3.51Å; L1715-Y1719 HydrophobicContact CD1-CE2 4.13Å; L1715-Y1719 HydrophobicContact CD2-CE2 4.2Å; L1715-Y1719 HydrophobicContact CG-CD2 4.31Å; L1715-Y1719 HydrophobicContact CG-CE1 4.2Å; L1715-Y1719 HydrophobicContact CG-CE2 3.99Å; L1715-Y1719 WeakPolarHBondContact O-CB 3.41Å; L1715-Y1719 PolarHBondContact O-N 2.86Å; D1716-Y1719 PolarHBondContact O-N 3.1Å; Y1719-Q1721 VanDerWaalsContact C-N 3.34Å; Y1719-Q1721 PolarHBondContact O-N 2.89Å; Y1719-L1722 PolarHBondContact O-N 3.11Å; Y1719-R1723 WeakPolarHBondContact O-CB 3.24Å; Y1719-R1723 PolarHBondContact O-N 3.36Å; Y1719-L1744 HydrophobicContact CD1-CD2 4.36Å; Y1719-L1744 HydrophobicContact CE1-CD2 3.85Å; Y1719-T1760 PolarHBondContact OH-OG1 3.23Å; Y1719-L1763 HydrophobicContact CD1-CD2 3.75Å; Y1719-L1763 HydrophobicContact CD2-CD2 4.07Å; Y1719-L1763 HydrophobicContact CE1-CD2 4.26Å; Y1719-L1763 HydrophobicContact CG-CD2 3.63Å |
| 1720 | Q | 90 | Very high | 87.8 | Confident | 121 Ų | 121 | 42.5 Ų | 42.5 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64 | -39.5 | 175.2 | -166.3 | -179.2 | 41.3 | 0 | 0 | 111.9 | D1716 D1717 R1723 W1724 | D1716-Q1720 WeakPolarHBondContact O-CB 3.47Å; D1716-Q1720 PolarHBondContact O-N 3.39Å; D1717-Q1720 PolarHBondContact O-N 2.72Å; Q1720-R1723 WeakPolarHBondContact O-CB 3.25Å; Q1720-W1724 WeakPolarHBondContact O-CB 3.4Å; Q1720-W1724 PolarHBondContact O-N 3.01Å |
| 1721 | Q | 90.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.3 | -44.7 | 178.2 | -175.6 | 58.4 | 46.6 | 0 | 0 | 112.3 | F1621 F1624 D1717 I1718 Y1719 R1723 W1724 C1725 | F1621-Q1721 HydrophobicContact CD1-CB 4.1Å; F1621-Q1721 HydrophobicContact CD1-CG 3.72Å; F1621-Q1721 HydrophobicContact CE1-CB 3.75Å; F1621-Q1721 HydrophobicContact CE1-CG 3.68Å; F1621-Q1721 HydrophobicContact CZ-CB 4.32Å; F1624-Q1721 HydrophobicContact CD2-CG 4.33Å; F1624-Q1721 HydrophobicContact CE2-CG 4.29Å; D1717-Q1721 WeakPolarHBondContact O-CB 3.2Å; D1717-Q1721 PolarHBondContact O-N 3.3Å; I1718-Q1721 PolarHBondContact O-N 3.43Å; Y1719-Q1721 VanDerWaalsContact C-N 3.34Å; Y1719-Q1721 PolarHBondContact O-N 2.89Å; Q1721-R1723 VanDerWaalsContact C-N 3.33Å; Q1721-W1724 VanDerWaalsContact NE2-CE3 3.27Å; Q1721-W1724 WeakPolarHBondContact O-CB 3.31Å; Q1721-W1724 PolarHBondContact O-N 2.87Å; Q1721-C1725 PolarHBondContact NE2-SG 3.49Å; Q1721-C1725 PolarHBondContact O-N 3.34Å; Q1721-C1725 PolarHBondContact O-SG 3.49Å; Q1721-C1725 VanDerWaalsContact O-SG 3.37Å |
| 1722 | L | 91 | Very high | 87.3 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 175.5 | -75.3 | 170.7 | 0 | 0 | 0 | 110.9 | L1696 I1718 Y1719 W1724 C1725 C1726 C1740 L1741 L1744 | L1696-L1722 HydrophobicContact CD1-CD2 3.96Å; L1696-L1722 HydrophobicContact CD2-CD2 4.41Å; L1696-L1722 HydrophobicContact CG-CD2 4.29Å; I1718-L1722 HydrophobicContact CG2-CD1 3.82Å; I1718-L1722 HydrophobicContact CG2-CG 4.3Å; I1718-L1722 WeakPolarHBondContact O-CB 3.12Å; I1718-L1722 WeakPolarHBondContact O-CG 3.45Å; I1718-L1722 PolarHBondContact O-N 2.87Å; Y1719-L1722 PolarHBondContact O-N 3.11Å; L1722-W1724 VanDerWaalsContact C-N 3.3Å; L1722-W1724 PolarHBondContact O-N 3.32Å; L1722-C1725 PolarHBondContact O-N 3.14Å; L1722-C1726 PolarHBondContact O-N 2.9Å; L1722-C1726 PolarHBondContact O-SG 2.9Å; L1722-C1740 HydrophobicContact CD2-CB 3.62Å; L1722-L1741 HydrophobicContact CD1-CB 4.34Å; L1722-L1741 HydrophobicContact CD1-CD1 4.07Å; L1722-L1744 HydrophobicContact CD1-CD2 3.71Å |
| 1723 | R | 92.6 | Very high | 87.4 | Confident | 87 Ų | 87 | 42.2 Ų | 42.2 | 33% | 0.328 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -54.3 | -50.4 | 172.3 | -174.7 | -169.9 | -176.9 | -81.6 | -7.5 | 111 | Y1719 Q1720 Q1721 C1725 C1726 L1727 L1763 D1766 L1767 S1770 | Y1719-R1723 WeakPolarHBondContact O-CB 3.24Å; Y1719-R1723 PolarHBondContact O-N 3.36Å; Q1720-R1723 WeakPolarHBondContact O-CB 3.25Å; Q1721-R1723 VanDerWaalsContact C-N 3.33Å; R1723-C1725 VanDerWaalsContact C-N 3.34Å; R1723-C1725 PolarHBondContact O-N 3.48Å; R1723-C1726 PolarHBondContact O-N 3.14Å; R1723-L1727 HydrophobicContact CG-CD1 4.07Å; R1723-L1727 VanDerWaalsContact O-CG 3.27Å; R1723-L1727 WeakPolarHBondContact O-CG 3.21Å; R1723-L1727 PolarHBondContact O-N 3.46Å; R1723-L1763 HydrophobicContact CB-CD1 3.85Å; R1723-L1763 HydrophobicContact CG-CD1 4.21Å; R1723-D1766 IonicContact CZ-OD2 3.97Å; R1723-D1766 VanDerWaalsContact CZ-OD2 3.26Å; R1723-D1766 IonicContact NE-OD2 3.09Å; R1723-D1766 PolarHBondContact NE-OD2 3.4Å; R1723-D1766 IonicContact NH2-OD1 3.43Å; R1723-D1766 IonicContact NH2-OD2 3.35Å; R1723-D1766 PolarHBondContact NH2-OD2 3.17Å; R1723-L1767 HydrophobicContact CG-CD2 4.08Å; R1723-S1770 PolarHBondContact NH2-OG 3.27Å |
| 1724 | W | 90.1 | Very high | 87.5 | Confident | 36 Ų | 36 | 40.6 Ų | 40.6 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 178.6 | 179.7 | 88.6 | 0 | 0 | 0 | 111.4 | F1624 F1627 R1628 Q1720 Q1721 L1722 L1727 Q1728 L1733 | F1624-W1724 HydrophobicContact CB-CH2 4.3Å; F1624-W1724 HydrophobicContact CB-CZ3 4.02Å; F1624-W1724 AromaticContact CD1-CZ3 3.92Å; F1624-W1724 HydrophobicContact CD1-CZ3 3.92Å; F1624-W1724 HydrophobicContact CG-CZ3 4.32Å; F1627-W1724 HydrophobicContact CB-CH2 3.55Å; F1627-W1724 HydrophobicContact CB-CZ2 3.54Å; F1627-W1724 HydrophobicContact CG-CH2 4.21Å; R1628-W1724 HydrophobicContact CG-CZ2 4.15Å; Q1720-W1724 WeakPolarHBondContact O-CB 3.4Å; Q1720-W1724 PolarHBondContact O-N 3.01Å; Q1721-W1724 VanDerWaalsContact NE2-CE3 3.27Å; Q1721-W1724 WeakPolarHBondContact O-CB 3.31Å; Q1721-W1724 PolarHBondContact O-N 2.87Å; L1722-W1724 VanDerWaalsContact C-N 3.3Å; L1722-W1724 PolarHBondContact O-N 3.32Å; W1724-L1727 PolarHBondContact O-N 3.34Å; W1724-Q1728 HydrophobicContact CD2-CG 4.22Å; W1724-Q1728 HydrophobicContact CE3-CG 4.03Å; W1724-Q1728 HydrophobicContact CH2-CG 3.8Å; W1724-Q1728 HydrophobicContact CZ2-CG 4.01Å; W1724-Q1728 HydrophobicContact CZ3-CG 3.82Å; W1724-Q1728 WeakPolarHBondContact O-CG 3.42Å; W1724-Q1728 PolarHBondContact O-N 2.72Å; W1724-Q1728 PolarHBondContact O-NE2 2.83Å; W1724-L1733 HydrophobicContact CH2-CD2 4.43Å; W1724-L1733 HydrophobicContact CZ3-CD2 4.04Å |
| 1725 | C | 88.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 178.2 | -73.3 | 0 | 0 | 0 | 0 | 112.5 | L1696 Q1721 L1722 R1723 L1727 Q1728 L1733 A1734 | L1696-C1725 HydrophobicContact CD2-CB 4.2Å; Q1721-C1725 PolarHBondContact NE2-SG 3.49Å; Q1721-C1725 PolarHBondContact O-N 3.34Å; Q1721-C1725 PolarHBondContact O-SG 3.49Å; Q1721-C1725 VanDerWaalsContact O-SG 3.37Å; L1722-C1725 PolarHBondContact O-N 3.14Å; R1723-C1725 VanDerWaalsContact C-N 3.34Å; R1723-C1725 PolarHBondContact O-N 3.48Å; C1725-L1727 PolarHBondContact O-N 3.17Å; C1725-Q1728 PolarHBondContact O-N 3.25Å; C1725-L1733 HydrophobicContact CB-CG 4.46Å; C1725-A1734 WeakPolarHBondContact O-CA 3.39Å |
| 1726 | C | 88 | Confident | 87.4 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -21.6 | 178.3 | -67.1 | 0 | 0 | 0 | 0 | 113.6 | L1722 R1723 T1738 L1767 | L1722-C1726 PolarHBondContact O-N 2.9Å; L1722-C1726 PolarHBondContact O-SG 2.9Å; R1723-C1726 PolarHBondContact O-N 3.14Å; C1726-T1738 PolarHBondContact SG-N 2.94Å; C1726-L1767 HydrophobicContact CB-CD1 4.42Å; C1726-L1767 HydrophobicContact CB-CD2 3.6Å |
| 1727 | L | 87.8 | Confident | 87.5 | Confident | 50 Ų | 50 | 38.7 Ų | 38.7 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 3 | -177.9 | -63 | 177.3 | 0 | 0 | 0 | 113.8 | R1723 W1724 C1725 L1767 T1771 | R1723-L1727 HydrophobicContact CG-CD1 4.07Å; R1723-L1727 VanDerWaalsContact O-CG 3.27Å; R1723-L1727 WeakPolarHBondContact O-CG 3.21Å; R1723-L1727 PolarHBondContact O-N 3.46Å; W1724-L1727 PolarHBondContact O-N 3.34Å; C1725-L1727 PolarHBondContact O-N 3.17Å; L1727-L1767 HydrophobicContact CD2-CD2 4.4Å; L1727-L1767 HydrophobicContact CG-CD2 4.3Å; L1727-T1771 HydrophobicContact CD2-CG2 3.46Å; L1727-T1771 VanDerWaalsContact CD2-CG2 3.46Å |
| 1728 | Q | 84.7 | Confident | 87.7 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -74.7 | 144.1 | 176.9 | -64.1 | -48.3 | -72.1 | 0 | 0 | 111.6 | W1724 C1725 H1730 L1733 N1820 | W1724-Q1728 HydrophobicContact CD2-CG 4.22Å; W1724-Q1728 HydrophobicContact CE3-CG 4.03Å; W1724-Q1728 HydrophobicContact CH2-CG 3.8Å; W1724-Q1728 HydrophobicContact CZ2-CG 4.01Å; W1724-Q1728 HydrophobicContact CZ3-CG 3.82Å; W1724-Q1728 WeakPolarHBondContact O-CG 3.42Å; W1724-Q1728 PolarHBondContact O-N 2.72Å; W1724-Q1728 PolarHBondContact O-NE2 2.83Å; C1725-Q1728 PolarHBondContact O-N 3.25Å; Q1728-H1730 PolarHBondContact O-N 3.45Å; Q1728-L1733 HydrophobicContact CB-CD2 4.12Å; Q1728-L1733 HydrophobicContact CG-CD2 3.77Å; Q1728-N1820 PolarHBondContact O-ND2 3Å |
| 1729 | E | 77 | Confident | 87.7 | Confident | 115 Ų | 115 | 37.8 Ų | 37.8 | 54% | 0.537 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -58.9 | -20.3 | 177.4 | -64.5 | -177 | -175.3 | 0 | 0 | 113.6 | E1731 H1813 N1820 | E1729-E1731 PolarHBondContact O-N 3.39Å; E1729-H1813 IonicContact OE2-ND1 3.27Å; E1729-N1820 PolarHBondContact O-ND2 3.37Å |
| 1730 | H | 81.1 | Confident | 87.6 | Confident | 43 Ų | 43 | 37.3 Ų | 37.3 | 20% | 0.199 | 17% | 0.173 | C | C | . | . | trans | -84.1 | 107.4 | -177 | -169.9 | -89.6 | 0 | 0 | 0 | 112.4 | M1688 N1689 Q1728 Q1732 L1733 A1734 | M1688-H1730 HydrophobicContact CE-CB 3.27Å; M1688-H1730 WeakPolarHBondContact CE-CD2 3.46Å; M1688-H1730 HydrophobicContact SD-CB 4.09Å; N1689-H1730 PolarHBondContact OD1-CE1 2.93Å; Q1728-H1730 PolarHBondContact O-N 3.45Å; H1730-Q1732 VanDerWaalsContact C-N 3.32Å; H1730-Q1732 PolarHBondContact O-N 2.9Å; H1730-Q1732 VanDerWaalsContact O-N 3.14Å; H1730-L1733 HydrophobicContact CB-CB 4.43Å; H1730-L1733 PolarHBondContact ND1-N 3.49Å; H1730-L1733 PolarHBondContact O-N 3.46Å; H1730-A1734 PolarHBondContact O-N 3.49Å | ||
| 1731 | E | 84 | Confident | 87.8 | Confident | 76 Ų | 76 | 31.6 Ų | 31.6 | 36% | 0.355 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -45.4 | -48 | -176 | -172.2 | -176.7 | 155 | 0 | 0 | 114.4 | E1729 L1733 A1734 R1735 N1820 V1823 | E1729-E1731 PolarHBondContact O-N 3.39Å; E1731-L1733 VanDerWaalsContact C-N 3.34Å; E1731-L1733 PolarHBondContact O-N 2.89Å; E1731-A1734 PolarHBondContact O-N 2.92Å; E1731-R1735 WeakPolarHBondContact O-CB 3.44Å; E1731-R1735 WeakPolarHBondContact O-CG 3.37Å; E1731-R1735 PolarHBondContact O-N 3.21Å; E1731-R1735 IonicContact OE1-CZ 3.96Å; E1731-R1735 IonicContact OE1-NH1 2.75Å; E1731-R1735 PolarHBondContact OE1-NH1 3.24Å; E1731-R1735 IonicContact OE1-NH2 2.84Å; E1731-R1735 PolarHBondContact OE1-NH2 2.82Å; E1731-N1820 WeakPolarHBondContact CA-OD1 3.49Å; E1731-V1823 HydrophobicContact CG-CG1 4.23Å |
| 1732 | Q | 83.2 | Confident | 87.9 | Confident | 87 Ų | 87 | 33.1 Ų | 33.1 | 41% | 0.407 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -68.2 | -33.3 | -176.8 | -170.8 | 61 | 23.8 | 0 | 0 | 113 | N1689 H1730 S1736 | N1689-Q1732 WeakPolarHBondContact OD1-CG 3.4Å; H1730-Q1732 VanDerWaalsContact C-N 3.32Å; H1730-Q1732 PolarHBondContact O-N 2.9Å; H1730-Q1732 VanDerWaalsContact O-N 3.14Å; Q1732-S1736 WeakPolarHBondContact O-CB 3.46Å; Q1732-S1736 PolarHBondContact O-N 3.41Å; Q1732-S1736 PolarHBondContact O-OG 2.81Å |
| 1733 | L | 84.4 | Confident | 88 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.8 | -39.3 | 178.8 | -179.7 | 63.2 | 0 | 0 | 0 | 110 | M1688 C1692 W1724 C1725 Q1728 H1730 E1731 S1736 G1737 | M1688-L1733 HydrophobicContact CG-CB 3.85Å; M1688-L1733 HydrophobicContact CG-CD1 4.43Å; M1688-L1733 HydrophobicContact CG-CD2 3.72Å; M1688-L1733 HydrophobicContact CG-CG 4.21Å; M1688-L1733 HydrophobicContact SD-CB 4.23Å; M1688-L1733 HydrophobicContact SD-CD2 3.44Å; M1688-L1733 WeakPolarHBondContact SD-CD2 3.22Å; M1688-L1733 HydrophobicContact SD-CG 4.42Å; C1692-L1733 HydrophobicContact CB-CD1 4.07Å; W1724-L1733 HydrophobicContact CH2-CD2 4.43Å; W1724-L1733 HydrophobicContact CZ3-CD2 4.04Å; C1725-L1733 HydrophobicContact CB-CG 4.46Å; Q1728-L1733 HydrophobicContact CB-CD2 4.12Å; Q1728-L1733 HydrophobicContact CG-CD2 3.77Å; H1730-L1733 HydrophobicContact CB-CB 4.43Å; H1730-L1733 PolarHBondContact ND1-N 3.49Å; H1730-L1733 PolarHBondContact O-N 3.46Å; E1731-L1733 VanDerWaalsContact C-N 3.34Å; E1731-L1733 PolarHBondContact O-N 2.89Å; L1733-S1736 PolarHBondContact O-N 3.5Å; L1733-G1737 PolarHBondContact O-N 3.26Å |
| 1734 | A | 87.1 | Confident | 88 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C1725 H1730 E1731 G1737 T1738 V1824 | C1725-A1734 WeakPolarHBondContact O-CA 3.39Å; H1730-A1734 PolarHBondContact O-N 3.49Å; E1731-A1734 PolarHBondContact O-N 2.92Å; A1734-G1737 PolarHBondContact O-N 3.24Å; A1734-T1738 PolarHBondContact O-N 2.99Å; A1734-V1824 HydrophobicContact CB-CG2 3.52Å |
| 1735 | R | 88.8 | Confident | 88.1 | Confident | 81 Ų | 81 | 29.6 Ų | 29.6 | 31% | 0.306 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 171.2 | -78.3 | -165.6 | 172.6 | 124.5 | 16.5 | 113.4 | E1731 G1737 T1738 S1739 V1823 E1827 | E1731-R1735 WeakPolarHBondContact O-CB 3.44Å; E1731-R1735 WeakPolarHBondContact O-CG 3.37Å; E1731-R1735 PolarHBondContact O-N 3.21Å; E1731-R1735 IonicContact OE1-CZ 3.96Å; E1731-R1735 IonicContact OE1-NH1 2.75Å; E1731-R1735 PolarHBondContact OE1-NH1 3.24Å; E1731-R1735 IonicContact OE1-NH2 2.84Å; E1731-R1735 PolarHBondContact OE1-NH2 2.82Å; R1735-G1737 VanDerWaalsContact C-N 3.27Å; R1735-G1737 PolarHBondContact O-N 3.19Å; R1735-T1738 WeakPolarHBondContact CA-OG1 3.44Å; R1735-T1738 PolarHBondContact O-N 2.91Å; R1735-T1738 PolarHBondContact O-OG1 3.46Å; R1735-S1739 WeakPolarHBondContact O-CB 3.35Å; R1735-S1739 PolarHBondContact O-N 2.91Å; R1735-V1823 HydrophobicContact CG-CG1 4.15Å; R1735-V1823 VanDerWaalsContact NH2-CG1 3.28Å; R1735-E1827 HydrophobicContact CG-CG 4.22Å; R1735-E1827 IonicContact NE-OE1 3.76Å; R1735-E1827 PolarHBondContact NE-OE1 3.5Å; R1735-E1827 VanDerWaalsContact NE-OE1 3.12Å |
| 1736 | S | 87.3 | Confident | 88.2 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.4 | -36.4 | 176.8 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | N1693 Q1732 L1733 S1739 C1740 | N1693-S1736 WeakPolarHBondContact OD1-CB 3.49Å; N1693-S1736 PolarHBondContact OD1-OG 2.88Å; Q1732-S1736 WeakPolarHBondContact O-CB 3.46Å; Q1732-S1736 PolarHBondContact O-N 3.41Å; Q1732-S1736 PolarHBondContact O-OG 2.81Å; L1733-S1736 PolarHBondContact O-N 3.5Å; S1736-S1739 PolarHBondContact O-N 3.49Å; S1736-C1740 WeakPolarHBondContact O-CB 3.41Å; S1736-C1740 PolarHBondContact O-N 3.28Å; S1736-C1740 PolarHBondContact O-SG 2.88Å |
| 1737 | G | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1733 A1734 R1735 C1740 L1741 | L1733-G1737 PolarHBondContact O-N 3.26Å; A1734-G1737 PolarHBondContact O-N 3.24Å; R1735-G1737 VanDerWaalsContact C-N 3.27Å; R1735-G1737 PolarHBondContact O-N 3.19Å; G1737-C1740 PolarHBondContact O-N 3.05Å; G1737-L1741 WeakPolarHBondContact O-CB 3.17Å; G1737-L1741 PolarHBondContact O-N 2.96Å |
| 1738 | T | 90.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 178.1 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | C1726 A1734 R1735 C1740 L1741 E1742 V1824 E1827 L1828 | C1726-T1738 PolarHBondContact SG-N 2.94Å; A1734-T1738 PolarHBondContact O-N 2.99Å; R1735-T1738 WeakPolarHBondContact CA-OG1 3.44Å; R1735-T1738 PolarHBondContact O-N 2.91Å; R1735-T1738 PolarHBondContact O-OG1 3.46Å; T1738-C1740 PolarHBondContact O-N 2.86Å; T1738-L1741 WeakPolarHBondContact O-CB 3.44Å; T1738-L1741 PolarHBondContact O-N 3.37Å; T1738-E1742 PolarHBondContact O-N 3.29Å; T1738-V1824 HydrophobicContact CG2-CG1 4.03Å; T1738-E1827 HydrophobicContact CG2-CB 4.37Å; T1738-L1828 HydrophobicContact CG2-CD2 3.91Å; T1738-L1828 HydrophobicContact CG2-CG 4.15Å |
| 1739 | S | 90.7 | Very high | 88.6 | Confident | 46 Ų | 46 | 30.4 Ų | 30.4 | 32% | 0.322 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 177.3 | -176.2 | 0 | 0 | 0 | 0 | 112.9 | R1735 S1736 E1742 T1743 | R1735-S1739 WeakPolarHBondContact O-CB 3.35Å; R1735-S1739 PolarHBondContact O-N 2.91Å; S1736-S1739 PolarHBondContact O-N 3.49Å; S1739-E1742 PolarHBondContact O-N 2.88Å; S1739-T1743 WeakPolarHBondContact O-CB 3.49Å; S1739-T1743 PolarHBondContact O-N 2.89Å; S1739-T1743 PolarHBondContact O-OG1 2.92Å |
| 1740 | C | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 173.1 | -77.2 | 0 | 0 | 0 | 0 | 111.5 | L1696 F1697 V1700 L1722 S1736 G1737 T1738 T1743 L1744 | L1696-C1740 HydrophobicContact CD2-CB 4.13Å; L1696-C1740 HydrophobicContact CG-CB 4.07Å; F1697-C1740 WeakPolarHBondContact CD1-SG 3.29Å; F1697-C1740 VanDerWaalsContact CE1-SG 3.55Å; V1700-C1740 HydrophobicContact CG2-CB 3.86Å; L1722-C1740 HydrophobicContact CD2-CB 3.62Å; S1736-C1740 WeakPolarHBondContact O-CB 3.41Å; S1736-C1740 PolarHBondContact O-N 3.28Å; S1736-C1740 PolarHBondContact O-SG 2.88Å; G1737-C1740 PolarHBondContact O-N 3.05Å; T1738-C1740 PolarHBondContact O-N 2.86Å; C1740-T1743 PolarHBondContact O-N 3.47Å; C1740-L1744 WeakPolarHBondContact O-CB 3.35Å; C1740-L1744 PolarHBondContact O-N 3.35Å |
| 1741 | L | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 173.9 | 179.7 | 64.2 | 0 | 0 | 0 | 111.3 | L1722 G1737 T1738 L1744 I1745 L1763 I1764 L1767 | L1722-L1741 HydrophobicContact CD1-CB 4.34Å; L1722-L1741 HydrophobicContact CD1-CD1 4.07Å; G1737-L1741 WeakPolarHBondContact O-CB 3.17Å; G1737-L1741 PolarHBondContact O-N 2.96Å; T1738-L1741 WeakPolarHBondContact O-CB 3.44Å; T1738-L1741 PolarHBondContact O-N 3.37Å; L1741-L1744 PolarHBondContact O-N 2.62Å; L1741-I1745 HydrophobicContact CD1-CD1 3.74Å; L1741-I1745 HydrophobicContact CD1-CG1 4.29Å; L1741-I1745 HydrophobicContact CG-CD1 3.88Å; L1741-I1745 VanDerWaalsContact O-CG1 3.26Å; L1741-I1745 WeakPolarHBondContact O-CG1 3.25Å; L1741-I1745 PolarHBondContact O-N 2.7Å; L1741-L1763 HydrophobicContact CD1-CD2 3.91Å; L1741-I1764 HydrophobicContact CD2-CG1 4.33Å; L1741-L1767 HydrophobicContact CD2-CD1 3.7Å |
| 1742 | E | 92.8 | Very high | 89.9 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 16% | 0.164 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.3 | -51.9 | 173.6 | -175.7 | -178.2 | 144.6 | 0 | 0 | 111 | T1738 S1739 L1744 I1745 L1746 T1831 H1834 | T1738-E1742 PolarHBondContact O-N 3.29Å; S1739-E1742 PolarHBondContact O-N 2.88Å; E1742-L1744 PolarHBondContact O-N 2.85Å; E1742-I1745 PolarHBondContact O-N 3.28Å; E1742-L1746 HydrophobicContact CG-CD1 3.69Å; E1742-L1746 HydrophobicContact CG-CG 4.4Å; E1742-L1746 WeakPolarHBondContact O-CB 3.28Å; E1742-L1746 VanDerWaalsContact O-CG 3.31Å; E1742-L1746 WeakPolarHBondContact O-CG 3.31Å; E1742-L1746 PolarHBondContact O-N 2.93Å; E1742-T1831 HydrophobicContact CB-CG2 3.78Å; E1742-T1831 HydrophobicContact CG-CG2 4.27Å; E1742-H1834 HydrophobicContact CG-CB 4.39Å; E1742-H1834 IonicContact OE1-CD2 3.72Å; E1742-H1834 PolarHBondContact OE1-CD2 3.25Å; E1742-H1834 IonicContact OE1-CE1 2.9Å; E1742-H1834 PolarHBondContact OE1-CE1 3.28Å; E1742-H1834 VanDerWaalsContact OE1-CE1 3.29Å; E1742-H1834 IonicContact OE1-CG 3.41Å; E1742-H1834 IonicContact OE1-ND1 3.65Å; E1742-H1834 PolarHBondContact OE1-ND1 2.95Å; E1742-H1834 IonicContact OE1-NE2 3.26Å |
| 1743 | T | 91.8 | Very high | 90.2 | Very high | 49 Ų | 49 | 30.2 Ų | 30.2 | 30% | 0.301 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61.7 | -43 | -178.7 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | V1700 S1739 C1740 I1745 L1746 S1747 | V1700-T1743 HydrophobicContact CG1-CG2 4.15Å; S1739-T1743 WeakPolarHBondContact O-CB 3.49Å; S1739-T1743 PolarHBondContact O-N 2.89Å; S1739-T1743 PolarHBondContact O-OG1 2.92Å; C1740-T1743 PolarHBondContact O-N 3.47Å; T1743-I1745 PolarHBondContact O-N 2.78Å; T1743-L1746 PolarHBondContact O-N 2.99Å; T1743-S1747 VanDerWaalsContact O-CB 3.25Å; T1743-S1747 WeakPolarHBondContact O-CB 3.17Å; T1743-S1747 PolarHBondContact O-N 3Å; T1743-S1747 PolarHBondContact O-OG 2.93Å |
| 1744 | L | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 177.6 | 179.3 | 70.8 | 0 | 0 | 0 | 111.3 | V1700 F1703 I1718 Y1719 L1722 C1740 L1741 E1742 S1747 N1748 | V1700-L1744 HydrophobicContact CG1-CB 3.91Å; V1700-L1744 HydrophobicContact CG1-CD1 4.17Å; V1700-L1744 HydrophobicContact CG2-CB 4.43Å; F1703-L1744 HydrophobicContact CD1-CD1 3.33Å; F1703-L1744 HydrophobicContact CE1-CD1 3.74Å; F1703-L1744 HydrophobicContact CG-CD1 4.3Å; I1718-L1744 HydrophobicContact CG2-CD2 3.98Å; Y1719-L1744 HydrophobicContact CD1-CD2 4.36Å; Y1719-L1744 HydrophobicContact CE1-CD2 3.85Å; L1722-L1744 HydrophobicContact CD1-CD2 3.71Å; C1740-L1744 WeakPolarHBondContact O-CB 3.35Å; C1740-L1744 PolarHBondContact O-N 3.35Å; L1741-L1744 PolarHBondContact O-N 2.62Å; E1742-L1744 PolarHBondContact O-N 2.85Å; L1744-S1747 PolarHBondContact O-OG 3.4Å; L1744-S1747 VanDerWaalsContact O-OG 3.13Å; L1744-N1748 WeakPolarHBondContact O-CB 3.5Å; L1744-N1748 PolarHBondContact O-N 2.81Å; L1744-N1748 VanDerWaalsContact O-N 3.1Å; L1744-N1748 PolarHBondContact O-ND2 3.25Å |
| 1745 | I | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.5 | -41.1 | -177.6 | -65.2 | 168.1 | 0 | 0 | 0 | 110.8 | L1741 E1742 T1743 S1747 G1749 F1752 W1757 T1760 I1764 I1835 | L1741-I1745 HydrophobicContact CD1-CD1 3.74Å; L1741-I1745 HydrophobicContact CD1-CG1 4.29Å; L1741-I1745 HydrophobicContact CG-CD1 3.88Å; L1741-I1745 VanDerWaalsContact O-CG1 3.26Å; L1741-I1745 WeakPolarHBondContact O-CG1 3.25Å; L1741-I1745 PolarHBondContact O-N 2.7Å; E1742-I1745 PolarHBondContact O-N 3.28Å; T1743-I1745 PolarHBondContact O-N 2.78Å; I1745-S1747 VanDerWaalsContact C-N 3.35Å; I1745-S1747 PolarHBondContact O-N 3.42Å; I1745-G1749 WeakPolarHBondContact O-CA 3.43Å; I1745-G1749 PolarHBondContact O-N 3.29Å; I1745-F1752 HydrophobicContact CG1-CE2 4.4Å; I1745-W1757 HydrophobicContact CG2-CH2 3.59Å; I1745-W1757 HydrophobicContact CG2-CZ3 3.9Å; I1745-T1760 HydrophobicContact CD1-CG2 3.49Å; I1745-T1760 VanDerWaalsContact CD1-CG2 3.49Å; I1745-T1760 HydrophobicContact CG1-CG2 3.86Å; I1745-I1764 HydrophobicContact CD1-CD1 4.09Å; I1745-I1835 HydrophobicContact CB-CD1 4.16Å; I1745-I1835 HydrophobicContact CB-CG1 4.26Å; I1745-I1835 HydrophobicContact CD1-CD1 3.56Å; I1745-I1835 HydrophobicContact CG1-CD1 4.46Å; I1745-I1835 HydrophobicContact CG2-CB 4.49Å; I1745-I1835 HydrophobicContact CG2-CD1 4.1Å; I1745-I1835 HydrophobicContact CG2-CG1 4.01Å; I1745-I1835 HydrophobicContact CG2-CG2 3.68Å |
| 1746 | L | 90.1 | Very high | 90.6 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.5 | -35.8 | 180 | -71.7 | 171.9 | 0 | 0 | 0 | 112.7 | E1742 T1743 H1834 M1969 | E1742-L1746 HydrophobicContact CG-CD1 3.69Å; E1742-L1746 HydrophobicContact CG-CG 4.4Å; E1742-L1746 WeakPolarHBondContact O-CB 3.28Å; E1742-L1746 VanDerWaalsContact O-CG 3.31Å; E1742-L1746 WeakPolarHBondContact O-CG 3.31Å; E1742-L1746 PolarHBondContact O-N 2.93Å; T1743-L1746 PolarHBondContact O-N 2.99Å; L1746-H1834 WeakPolarHBondContact CD1-CD2 3.45Å; L1746-M1969 WeakPolarHBondContact O-CE 3.26Å |
| 1747 | S | 90 | Very high | 90.9 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 39% | 0.392 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -77.9 | -33.2 | -179.4 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | T1704 T1743 L1744 I1745 | T1704-S1747 WeakPolarHBondContact CG2-OG 3.35Å; T1704-S1747 PolarHBondContact OG1-OG 3.42Å; T1743-S1747 VanDerWaalsContact O-CB 3.25Å; T1743-S1747 WeakPolarHBondContact O-CB 3.17Å; T1743-S1747 PolarHBondContact O-N 3Å; T1743-S1747 PolarHBondContact O-OG 2.93Å; L1744-S1747 PolarHBondContact O-OG 3.4Å; L1744-S1747 VanDerWaalsContact O-OG 3.13Å; I1745-S1747 VanDerWaalsContact C-N 3.35Å; I1745-S1747 PolarHBondContact O-N 3.42Å |
| 1748 | N | 91 | Very high | 91 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -113.5 | -11.1 | -174.7 | -58.9 | -73.1 | 0 | 0 | 0 | 114.5 | T1704 Y1707 L1744 K1750 R1751 F1752 | T1704-N1748 WeakPolarHBondContact CA-OD1 3.36Å; T1704-N1748 PolarHBondContact OG1-ND2 3.48Å; Y1707-N1748 HydrophobicContact CD2-CB 3.8Å; Y1707-N1748 HydrophobicContact CE2-CB 3.9Å; Y1707-N1748 HydrophobicContact CG-CB 4.49Å; L1744-N1748 WeakPolarHBondContact O-CB 3.5Å; L1744-N1748 PolarHBondContact O-N 2.81Å; L1744-N1748 VanDerWaalsContact O-N 3.1Å; L1744-N1748 PolarHBondContact O-ND2 3.25Å; N1748-K1750 VanDerWaalsContact C-N 3.27Å; N1748-K1750 PolarHBondContact O-N 3.34Å; N1748-K1750 VanDerWaalsContact O-N 3.12Å; N1748-R1751 WeakPolarHBondContact O-CA 3.3Å; N1748-R1751 VanDerWaalsContact O-CB 3.29Å; N1748-R1751 WeakPolarHBondContact O-CB 3.36Å; N1748-R1751 PolarHBondContact O-N 2.97Å; N1748-F1752 HydrophobicContact CB-CD1 4.31Å; N1748-F1752 HydrophobicContact CB-CE1 3.54Å; N1748-F1752 HydrophobicContact CB-CZ 4.23Å; N1748-F1752 VanDerWaalsContact O-CD1 3.24Å; N1748-F1752 WeakPolarHBondContact O-CD1 3.42Å |
| 1749 | G | 87.8 | Confident | 91.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -60.6 | -29.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115 | I1745 R1751 F1752 W1757 | I1745-G1749 WeakPolarHBondContact O-CA 3.43Å; I1745-G1749 PolarHBondContact O-N 3.29Å; G1749-R1751 PolarHBondContact O-N 3.22Å; G1749-F1752 WeakPolarHBondContact O-CB 3.22Å; G1749-F1752 PolarHBondContact O-N 3.38Å; G1749-W1757 WeakPolarHBondContact O-CZ2 3.43Å; G1749-W1757 PolarHBondContact O-NE1 3.4Å |
| 1750 | K | 87 | Confident | 91.2 | Very high | 120 Ų | 120 | 45.6 Ų | 45.6 | 52% | 0.522 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -65.7 | -18.4 | 173.7 | -60.4 | -171.5 | 176.3 | -173.5 | 0 | 113.3 | N1748 P1966 M1969 | N1748-K1750 VanDerWaalsContact C-N 3.27Å; N1748-K1750 PolarHBondContact O-N 3.34Å; N1748-K1750 VanDerWaalsContact O-N 3.12Å; K1750-P1966 PolarHBondContact NZ-O 2.83Å; K1750-M1969 HydrophobicContact CG-CE 3.9Å; K1750-M1969 HydrophobicContact CG-SD 3.86Å |
| 1751 | R | 91.6 | Very high | 91.3 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -102.5 | -0.8 | -178.4 | -53.8 | 165.3 | 68.2 | 175.3 | 8.1 | 112.1 | Y1707 D1708 N1748 G1749 | Y1707-R1751 HydrophobicContact CD1-CB 4.23Å; Y1707-R1751 HydrophobicContact CE1-CB 3.68Å; Y1707-R1751 PolarHBondContact OH-O 3.32Å; D1708-R1751 IonicContact OD1-CZ 3.4Å; D1708-R1751 IonicContact OD1-NH2 3.99Å; D1708-R1751 PolarHBondContact OD1-NH2 3.36Å; D1708-R1751 IonicContact OD2-NH2 2.93Å; D1708-R1751 PolarHBondContact OD2-NH2 2.88Å; N1748-R1751 WeakPolarHBondContact O-CA 3.3Å; N1748-R1751 VanDerWaalsContact O-CB 3.29Å; N1748-R1751 WeakPolarHBondContact O-CB 3.36Å; N1748-R1751 PolarHBondContact O-N 2.97Å; G1749-R1751 PolarHBondContact O-N 3.22Å |
| 1752 | F | 91.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 50 Ų | 50 | 8% | 0.075 | 25% | 0.25 | C | C | . | . | trans | -76.7 | 136.1 | 178.1 | -71.8 | 7.2 | 0 | 0 | 0 | 109.6 | Y1707 I1745 N1748 G1749 I1756 W1757 T1760 | Y1707-F1752 HydrophobicContact CE2-CD1 4Å; Y1707-F1752 AromaticContact CE2-CE1 3.62Å; Y1707-F1752 HydrophobicContact CE2-CE1 3.62Å; Y1707-F1752 AromaticContact CZ-CD1 3.86Å; Y1707-F1752 AromaticContact CZ-CE1 3.99Å; Y1707-F1752 WeakPolarHBondContact OH-CD1 3.39Å; I1745-F1752 HydrophobicContact CG1-CE2 4.4Å; N1748-F1752 HydrophobicContact CB-CD1 4.31Å; N1748-F1752 HydrophobicContact CB-CE1 3.54Å; N1748-F1752 HydrophobicContact CB-CZ 4.23Å; N1748-F1752 VanDerWaalsContact O-CD1 3.24Å; N1748-F1752 WeakPolarHBondContact O-CD1 3.42Å; G1749-F1752 WeakPolarHBondContact O-CB 3.22Å; G1749-F1752 PolarHBondContact O-N 3.38Å; F1752-I1756 HydrophobicContact CB-CB 4.18Å; F1752-I1756 HydrophobicContact CB-CG2 3.81Å; F1752-I1756 HydrophobicContact CD1-CG2 3.8Å; F1752-I1756 HydrophobicContact CD2-CG2 3.51Å; F1752-I1756 HydrophobicContact CE1-CG2 4.17Å; F1752-I1756 HydrophobicContact CE2-CG2 3.91Å; F1752-I1756 HydrophobicContact CG-CB 4.32Å; F1752-I1756 HydrophobicContact CG-CG2 3.43Å; F1752-I1756 VanDerWaalsContact CG-CG2 3.43Å; F1752-I1756 HydrophobicContact CZ-CG2 4.22Å; F1752-W1757 HydrophobicContact CB-CD2 4.27Å; F1752-W1757 HydrophobicContact CB-CG 4.07Å; F1752-W1757 AromaticContact CD2-CD2 3.96Å; F1752-W1757 HydrophobicContact CD2-CD2 3.96Å; F1752-W1757 AromaticContact CD2-CE2 3.91Å; F1752-W1757 HydrophobicContact CD2-CE3 4.23Å; F1752-W1757 HydrophobicContact CD2-CG 4.42Å; F1752-W1757 HydrophobicContact CD2-CH2 4.4Å; F1752-W1757 HydrophobicContact CD2-CZ2 4.14Å; F1752-W1757 HydrophobicContact CD2-CZ3 4.43Å; F1752-T1760 HydrophobicContact CE2-CG2 4.28Å | ||
| 1753 | N | 89.5 | Confident | 91.5 | Very high | 82 Ų | 82 | 49 Ų | 49 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | trans | -84.6 | 170.7 | 167.1 | 64.8 | 33 | 0 | 0 | 0 | 110.3 | K1755 I1756 W1757 | N1753-K1755 PolarHBondContact O-N 3.48Å; N1753-K1755 PolarHBondContact OD1-N 3.1Å; N1753-I1756 PolarHBondContact O-N 3.28Å; N1753-I1756 VanDerWaalsContact O-N 3.12Å; N1753-I1756 WeakPolarHBondContact OD1-CB 3.47Å; N1753-I1756 VanDerWaalsContact OD1-CG1 3.25Å; N1753-I1756 WeakPolarHBondContact OD1-CG1 3.12Å; N1753-I1756 PolarHBondContact OD1-N 3.13Å; N1753-W1757 PolarHBondContact O-N 2.97Å | ||
| 1754 | D | 87.2 | Confident | 91.6 | Very high | 118 Ų | 118 | 47 Ų | 47 | 63% | 0.631 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -58 | -35.9 | -175.9 | -66.6 | -32.1 | 0 | 0 | 0 | 113.2 | W1757 E1758 Q1977 | D1754-W1757 PolarHBondContact O-N 3.14Å; D1754-E1758 WeakPolarHBondContact O-CB 3.24Å; D1754-E1758 PolarHBondContact O-N 3.06Å; D1754-Q1977 PolarHBondContact O-NE2 3.06Å |
| 1755 | K | 88.3 | Confident | 91.7 | Very high | 169 Ų | 169 | 47.6 Ų | 47.6 | 74% | 0.735 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.9 | -41.8 | 178.2 | -173.1 | -174.2 | 177.3 | -168.8 | 0 | 111.8 | N1753 E1758 S1759 | N1753-K1755 PolarHBondContact O-N 3.48Å; N1753-K1755 PolarHBondContact OD1-N 3.1Å; K1755-E1758 PolarHBondContact O-N 3.33Å; K1755-S1759 PolarHBondContact O-N 3.04Å |
| 1756 | I | 92.5 | Very high | 91.8 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 175.2 | -69.1 | 167.8 | 0 | 0 | 0 | 109.5 | L1715 F1752 N1753 E1758 S1759 T1760 | L1715-I1756 HydrophobicContact CD2-CB 4.36Å; L1715-I1756 HydrophobicContact CD2-CD1 4.28Å; L1715-I1756 HydrophobicContact CD2-CG1 3.87Å; L1715-I1756 HydrophobicContact CD2-CG2 3.72Å; F1752-I1756 HydrophobicContact CB-CB 4.18Å; F1752-I1756 HydrophobicContact CB-CG2 3.81Å; F1752-I1756 HydrophobicContact CD1-CG2 3.8Å; F1752-I1756 HydrophobicContact CD2-CG2 3.51Å; F1752-I1756 HydrophobicContact CE1-CG2 4.17Å; F1752-I1756 HydrophobicContact CE2-CG2 3.91Å; F1752-I1756 HydrophobicContact CG-CB 4.32Å; F1752-I1756 HydrophobicContact CG-CG2 3.43Å; F1752-I1756 VanDerWaalsContact CG-CG2 3.43Å; F1752-I1756 HydrophobicContact CZ-CG2 4.22Å; N1753-I1756 PolarHBondContact O-N 3.28Å; N1753-I1756 VanDerWaalsContact O-N 3.12Å; N1753-I1756 WeakPolarHBondContact OD1-CB 3.47Å; N1753-I1756 VanDerWaalsContact OD1-CG1 3.25Å; N1753-I1756 WeakPolarHBondContact OD1-CG1 3.12Å; N1753-I1756 PolarHBondContact OD1-N 3.13Å; I1756-E1758 VanDerWaalsContact C-N 3.3Å; I1756-E1758 PolarHBondContact O-N 2.72Å; I1756-S1759 PolarHBondContact O-N 3.48Å; I1756-T1760 WeakPolarHBondContact O-CB 3.26Å; I1756-T1760 PolarHBondContact O-N 3.41Å; I1756-T1760 PolarHBondContact O-OG1 3.47Å |
| 1757 | W | 93.9 | Very high | 92 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 175 | -89.6 | 121.2 | 0 | 0 | 0 | 112.3 | I1745 G1749 F1752 N1753 D1754 T1760 V1761 I1835 M1969 H1972 L1973 | I1745-W1757 HydrophobicContact CG2-CH2 3.59Å; I1745-W1757 HydrophobicContact CG2-CZ3 3.9Å; G1749-W1757 WeakPolarHBondContact O-CZ2 3.43Å; G1749-W1757 PolarHBondContact O-NE1 3.4Å; F1752-W1757 HydrophobicContact CB-CD2 4.27Å; F1752-W1757 HydrophobicContact CB-CG 4.07Å; F1752-W1757 AromaticContact CD2-CD2 3.96Å; F1752-W1757 HydrophobicContact CD2-CD2 3.96Å; F1752-W1757 AromaticContact CD2-CE2 3.91Å; F1752-W1757 HydrophobicContact CD2-CE3 4.23Å; F1752-W1757 HydrophobicContact CD2-CG 4.42Å; F1752-W1757 HydrophobicContact CD2-CH2 4.4Å; F1752-W1757 HydrophobicContact CD2-CZ2 4.14Å; F1752-W1757 HydrophobicContact CD2-CZ3 4.43Å; N1753-W1757 PolarHBondContact O-N 2.97Å; D1754-W1757 PolarHBondContact O-N 3.14Å; W1757-T1760 HydrophobicContact CE3-CG2 4.41Å; W1757-T1760 HydrophobicContact CZ3-CG2 4.35Å; W1757-T1760 WeakPolarHBondContact O-CB 3.44Å; W1757-T1760 PolarHBondContact O-N 3.35Å; W1757-V1761 WeakPolarHBondContact O-CB 3.48Å; W1757-V1761 VanDerWaalsContact O-CG2 3.26Å; W1757-V1761 WeakPolarHBondContact O-CG2 3.37Å; W1757-V1761 PolarHBondContact O-N 3.06Å; W1757-I1835 HydrophobicContact CH2-CG2 4.45Å; W1757-M1969 HydrophobicContact CH2-CB 3.75Å; W1757-M1969 HydrophobicContact CH2-CG 4.03Å; W1757-M1969 HydrophobicContact CZ2-CB 3.95Å; W1757-M1969 HydrophobicContact CZ2-CG 4.21Å; W1757-M1969 HydrophobicContact CZ2-SD 4.47Å; W1757-H1972 HydrophobicContact CZ2-CB 4.22Å; W1757-L1973 HydrophobicContact CD2-CD1 4.24Å; W1757-L1973 HydrophobicContact CD2-CG 4.23Å; W1757-L1973 HydrophobicContact CE3-CD1 3.98Å; W1757-L1973 HydrophobicContact CE3-CD2 4.45Å; W1757-L1973 HydrophobicContact CE3-CG 3.94Å; W1757-L1973 HydrophobicContact CH2-CD1 3.71Å; W1757-L1973 HydrophobicContact CZ2-CD1 3.97Å; W1757-L1973 HydrophobicContact CZ3-CD1 3.72Å; W1757-L1973 HydrophobicContact CZ3-CD2 4.48Å; W1757-L1973 HydrophobicContact CZ3-CG 4.12Å |
| 1758 | E | 92.4 | Very high | 92.2 | Very high | 109 Ų | 109 | 45.9 Ų | 45.9 | 51% | 0.509 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 174.8 | -176.5 | 175.2 | -159.6 | 0 | 0 | 111.7 | D1754 K1755 I1756 T1760 V1761 N1762 | D1754-E1758 WeakPolarHBondContact O-CB 3.24Å; D1754-E1758 PolarHBondContact O-N 3.06Å; K1755-E1758 PolarHBondContact O-N 3.33Å; I1756-E1758 VanDerWaalsContact C-N 3.3Å; I1756-E1758 PolarHBondContact O-N 2.72Å; E1758-T1760 VanDerWaalsContact C-N 3.31Å; E1758-T1760 PolarHBondContact O-N 2.92Å; E1758-V1761 PolarHBondContact O-N 2.94Å; E1758-N1762 WeakPolarHBondContact O-CB 3.47Å; E1758-N1762 PolarHBondContact O-N 3.38Å; E1758-N1762 PolarHBondContact O-ND2 3.35Å |
| 1759 | S | 92.7 | Very high | 92.3 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 174.4 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | K1755 I1756 N1762 L1763 | K1755-S1759 PolarHBondContact O-N 3.04Å; I1756-S1759 PolarHBondContact O-N 3.48Å; S1759-N1762 PolarHBondContact O-N 3.38Å; S1759-L1763 WeakPolarHBondContact O-CB 3.47Å; S1759-L1763 PolarHBondContact O-N 3.2Å |
| 1760 | T | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 178.9 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | Y1719 I1745 F1752 I1756 W1757 E1758 L1763 I1764 | Y1719-T1760 PolarHBondContact OH-OG1 3.23Å; I1745-T1760 HydrophobicContact CD1-CG2 3.49Å; I1745-T1760 VanDerWaalsContact CD1-CG2 3.49Å; I1745-T1760 HydrophobicContact CG1-CG2 3.86Å; F1752-T1760 HydrophobicContact CE2-CG2 4.28Å; I1756-T1760 WeakPolarHBondContact O-CB 3.26Å; I1756-T1760 PolarHBondContact O-N 3.41Å; I1756-T1760 PolarHBondContact O-OG1 3.47Å; W1757-T1760 HydrophobicContact CE3-CG2 4.41Å; W1757-T1760 HydrophobicContact CZ3-CG2 4.35Å; W1757-T1760 WeakPolarHBondContact O-CB 3.44Å; W1757-T1760 PolarHBondContact O-N 3.35Å; E1758-T1760 VanDerWaalsContact C-N 3.31Å; E1758-T1760 PolarHBondContact O-N 2.92Å; T1760-L1763 WeakPolarHBondContact O-CB 3.41Å; T1760-L1763 PolarHBondContact O-N 2.96Å; T1760-I1764 HydrophobicContact CG2-CD1 4.38Å; T1760-I1764 WeakPolarHBondContact O-CG1 3.5Å; T1760-I1764 PolarHBondContact O-N 3.4Å |
| 1761 | V | 94.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 110.2 | W1757 E1758 L1763 I1764 V1765 L1973 Q1977 T1980 L1981 | W1757-V1761 WeakPolarHBondContact O-CB 3.48Å; W1757-V1761 VanDerWaalsContact O-CG2 3.26Å; W1757-V1761 WeakPolarHBondContact O-CG2 3.37Å; W1757-V1761 PolarHBondContact O-N 3.06Å; E1758-V1761 PolarHBondContact O-N 2.94Å; V1761-L1763 VanDerWaalsContact C-N 3.32Å; V1761-L1763 PolarHBondContact O-N 2.87Å; V1761-I1764 PolarHBondContact O-N 3.42Å; V1761-V1765 HydrophobicContact CG1-CG2 4.31Å; V1761-V1765 WeakPolarHBondContact O-CB 3.34Å; V1761-V1765 VanDerWaalsContact O-CG2 3.24Å; V1761-V1765 WeakPolarHBondContact O-CG2 3.38Å; V1761-V1765 PolarHBondContact O-N 3.48Å; V1761-L1973 HydrophobicContact CG2-CD2 4.11Å; V1761-Q1977 HydrophobicContact CG2-CB 4.11Å; V1761-Q1977 HydrophobicContact CG2-CG 4.22Å; V1761-T1980 HydrophobicContact CG1-CG2 4.39Å; V1761-L1981 HydrophobicContact CG1-CD2 4.07Å; V1761-L1981 HydrophobicContact CG1-CG 4.14Å; V1761-L1981 HydrophobicContact CG2-CD1 4.39Å |
| 1762 | N | 94 | Very high | 92.7 | Very high | 88 Ų | 88 | 45.8 Ų | 45.8 | 47% | 0.471 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.2 | -72.7 | -26.9 | 0 | 0 | 0 | 112 | E1758 S1759 V1765 D1766 | E1758-N1762 WeakPolarHBondContact O-CB 3.47Å; E1758-N1762 PolarHBondContact O-N 3.38Å; E1758-N1762 PolarHBondContact O-ND2 3.35Å; S1759-N1762 PolarHBondContact O-N 3.38Å; N1762-V1765 PolarHBondContact O-N 2.7Å; N1762-D1766 WeakPolarHBondContact O-CB 3.34Å; N1762-D1766 PolarHBondContact O-N 3.26Å |
| 1763 | L | 95.2 | Very high | 92.6 | Very high | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 173.4 | 172 | 65.1 | 0 | 0 | 0 | 111.6 | Y1719 R1723 L1741 S1759 T1760 V1761 V1765 D1766 L1767 | Y1719-L1763 HydrophobicContact CD1-CD2 3.75Å; Y1719-L1763 HydrophobicContact CD2-CD2 4.07Å; Y1719-L1763 HydrophobicContact CE1-CD2 4.26Å; Y1719-L1763 HydrophobicContact CG-CD2 3.63Å; R1723-L1763 HydrophobicContact CB-CD1 3.85Å; R1723-L1763 HydrophobicContact CG-CD1 4.21Å; L1741-L1763 HydrophobicContact CD1-CD2 3.91Å; S1759-L1763 WeakPolarHBondContact O-CB 3.47Å; S1759-L1763 PolarHBondContact O-N 3.2Å; T1760-L1763 WeakPolarHBondContact O-CB 3.41Å; T1760-L1763 PolarHBondContact O-N 2.96Å; V1761-L1763 VanDerWaalsContact C-N 3.32Å; V1761-L1763 PolarHBondContact O-N 2.87Å; L1763-V1765 VanDerWaalsContact C-N 3.33Å; L1763-V1765 PolarHBondContact O-N 3.31Å; L1763-D1766 PolarHBondContact O-N 3.36Å; L1763-L1767 HydrophobicContact CD1-CD1 4.27Å; L1763-L1767 HydrophobicContact CD1-CG 4.26Å; L1763-L1767 HydrophobicContact CG-CD1 4.25Å; L1763-L1767 WeakPolarHBondContact O-CB 3.27Å; L1763-L1767 WeakPolarHBondContact O-CG 3.41Å; L1763-L1767 PolarHBondContact O-N 3.23Å |
| 1764 | I | 94.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 178.5 | -68.9 | 168.5 | 0 | 0 | 0 | 110.3 | L1741 I1745 T1760 V1761 D1766 L1767 F1768 V1832 I1835 L1981 | L1741-I1764 HydrophobicContact CD2-CG1 4.33Å; I1745-I1764 HydrophobicContact CD1-CD1 4.09Å; T1760-I1764 HydrophobicContact CG2-CD1 4.38Å; T1760-I1764 WeakPolarHBondContact O-CG1 3.5Å; T1760-I1764 PolarHBondContact O-N 3.4Å; V1761-I1764 PolarHBondContact O-N 3.42Å; I1764-D1766 PolarHBondContact O-N 3.02Å; I1764-L1767 WeakPolarHBondContact O-CB 3.28Å; I1764-L1767 PolarHBondContact O-N 2.93Å; I1764-F1768 HydrophobicContact CG2-CD2 3.79Å; I1764-F1768 HydrophobicContact CG2-CE2 3.77Å; I1764-F1768 VanDerWaalsContact O-CD2 3.3Å; I1764-F1768 WeakPolarHBondContact O-CD2 3.46Å; I1764-F1768 PolarHBondContact O-N 3.18Å; I1764-V1832 HydrophobicContact CG2-CG2 3.76Å; I1764-I1835 HydrophobicContact CD1-CD1 4.28Å; I1764-L1981 HydrophobicContact CB-CD2 4.37Å; I1764-L1981 HydrophobicContact CG2-CD2 3.87Å |
| 1765 | V | 95 | Very high | 92.7 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 9% | 0.085 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 177.6 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | V1761 N1762 L1763 L1767 F1768 K1769 T1980 C1984 | V1761-V1765 HydrophobicContact CG1-CG2 4.31Å; V1761-V1765 WeakPolarHBondContact O-CB 3.34Å; V1761-V1765 VanDerWaalsContact O-CG2 3.24Å; V1761-V1765 WeakPolarHBondContact O-CG2 3.38Å; V1761-V1765 PolarHBondContact O-N 3.48Å; N1762-V1765 PolarHBondContact O-N 2.7Å; L1763-V1765 VanDerWaalsContact C-N 3.33Å; L1763-V1765 PolarHBondContact O-N 3.31Å; V1765-L1767 VanDerWaalsContact C-N 3.34Å; V1765-F1768 PolarHBondContact O-N 3.04Å; V1765-K1769 HydrophobicContact CG1-CD 4.12Å; V1765-K1769 WeakPolarHBondContact O-CG 3.34Å; V1765-K1769 PolarHBondContact O-N 2.89Å; V1765-T1980 HydrophobicContact CG2-CG2 4.02Å; V1765-C1984 HydrophobicContact CG2-CB 4.32Å |
| 1766 | D | 94.1 | Very high | 92.6 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 29% | 0.294 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 176.3 | -178 | 46.1 | 0 | 0 | 0 | 111.9 | R1723 N1762 L1763 I1764 K1769 S1770 | R1723-D1766 IonicContact CZ-OD2 3.97Å; R1723-D1766 VanDerWaalsContact CZ-OD2 3.26Å; R1723-D1766 IonicContact NE-OD2 3.09Å; R1723-D1766 PolarHBondContact NE-OD2 3.4Å; R1723-D1766 IonicContact NH2-OD1 3.43Å; R1723-D1766 IonicContact NH2-OD2 3.35Å; R1723-D1766 PolarHBondContact NH2-OD2 3.17Å; N1762-D1766 WeakPolarHBondContact O-CB 3.34Å; N1762-D1766 PolarHBondContact O-N 3.26Å; L1763-D1766 PolarHBondContact O-N 3.36Å; I1764-D1766 PolarHBondContact O-N 3.02Å; D1766-K1769 PolarHBondContact O-N 3.27Å; D1766-S1770 WeakPolarHBondContact O-CB 3.27Å; D1766-S1770 PolarHBondContact O-N 3.24Å; D1766-S1770 PolarHBondContact O-OG 3.19Å; D1766-S1770 PolarHBondContact OD1-OG 2.83Å |
| 1767 | L | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 173.7 | -77.6 | 175.9 | 0 | 0 | 0 | 111.9 | R1723 C1726 L1727 L1741 L1763 I1764 V1765 K1769 S1770 T1771 L1828 | R1723-L1767 HydrophobicContact CG-CD2 4.08Å; C1726-L1767 HydrophobicContact CB-CD1 4.42Å; C1726-L1767 HydrophobicContact CB-CD2 3.6Å; L1727-L1767 HydrophobicContact CD2-CD2 4.4Å; L1727-L1767 HydrophobicContact CG-CD2 4.3Å; L1741-L1767 HydrophobicContact CD2-CD1 3.7Å; L1763-L1767 HydrophobicContact CD1-CD1 4.27Å; L1763-L1767 HydrophobicContact CD1-CG 4.26Å; L1763-L1767 HydrophobicContact CG-CD1 4.25Å; L1763-L1767 WeakPolarHBondContact O-CB 3.27Å; L1763-L1767 WeakPolarHBondContact O-CG 3.41Å; L1763-L1767 PolarHBondContact O-N 3.23Å; I1764-L1767 WeakPolarHBondContact O-CB 3.28Å; I1764-L1767 PolarHBondContact O-N 2.93Å; V1765-L1767 VanDerWaalsContact C-N 3.34Å; L1767-K1769 PolarHBondContact O-N 3.48Å; L1767-S1770 PolarHBondContact O-N 3.44Å; L1767-T1771 WeakPolarHBondContact O-CB 3.19Å; L1767-T1771 VanDerWaalsContact O-CG2 3.27Å; L1767-T1771 WeakPolarHBondContact O-CG2 3.45Å; L1767-T1771 PolarHBondContact O-N 2.84Å; L1767-T1771 VanDerWaalsContact O-N 3.08Å; L1767-T1771 PolarHBondContact O-OG1 3.37Å; L1767-L1828 HydrophobicContact CB-CD1 3.92Å; L1767-L1828 HydrophobicContact CB-CD2 4.27Å; L1767-L1828 HydrophobicContact CD1-CD2 4.2Å |
| 1768 | F | 94.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 173 | -90.1 | -74.5 | 0 | 0 | 0 | 111.8 | I1764 V1765 T1771 V1772 Q1825 L1828 I1829 V1832 C1984 L1985 | I1764-F1768 HydrophobicContact CG2-CD2 3.79Å; I1764-F1768 HydrophobicContact CG2-CE2 3.77Å; I1764-F1768 VanDerWaalsContact O-CD2 3.3Å; I1764-F1768 WeakPolarHBondContact O-CD2 3.46Å; I1764-F1768 PolarHBondContact O-N 3.18Å; V1765-F1768 PolarHBondContact O-N 3.04Å; F1768-T1771 PolarHBondContact O-OG1 2.72Å; F1768-V1772 WeakPolarHBondContact O-CG2 3.34Å; F1768-Q1825 PolarHBondContact O-NE2 3.1Å; F1768-L1828 HydrophobicContact CD1-CB 4.45Å; F1768-L1828 HydrophobicContact CD1-CD1 4.47Å; F1768-L1828 HydrophobicContact CD2-CB 4.43Å; F1768-L1828 HydrophobicContact CD2-CD1 4.5Å; F1768-L1828 HydrophobicContact CE1-CB 3.86Å; F1768-L1828 HydrophobicContact CE2-CB 3.83Å; F1768-L1828 HydrophobicContact CG-CD1 4.38Å; F1768-L1828 HydrophobicContact CZ-CB 3.53Å; F1768-I1829 HydrophobicContact CE1-CG1 3.83Å; F1768-I1829 HydrophobicContact CZ-CG1 4.01Å; F1768-V1832 HydrophobicContact CE2-CG2 3.82Å; F1768-V1832 HydrophobicContact CZ-CG2 4.33Å; F1768-C1984 WeakPolarHBondContact CB-SG 3.37Å; F1768-C1984 VanDerWaalsContact CD2-SG 3.55Å; F1768-C1984 WeakPolarHBondContact CG-SG 3.29Å; F1768-L1985 HydrophobicContact CZ-CD2 4.05Å |
| 1769 | K | 92.7 | Very high | 91.9 | Very high | 139 Ų | 139 | 36.8 Ų | 36.8 | 60% | 0.604 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -66.1 | -42.1 | 179.2 | -73.2 | 175 | -179.8 | 178 | 0 | 112.5 | V1765 D1766 L1767 T1771 | V1765-K1769 HydrophobicContact CG1-CD 4.12Å; V1765-K1769 WeakPolarHBondContact O-CG 3.34Å; V1765-K1769 PolarHBondContact O-N 2.89Å; D1766-K1769 PolarHBondContact O-N 3.27Å; L1767-K1769 PolarHBondContact O-N 3.48Å; K1769-T1771 VanDerWaalsContact C-N 3.29Å; K1769-T1771 PolarHBondContact O-N 2.87Å |
| 1770 | S | 91.7 | Very high | 91.4 | Very high | 43 Ų | 43 | 39 Ų | 39 | 30% | 0.301 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -73.4 | -20.1 | -176.6 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | R1723 D1766 L1767 | R1723-S1770 PolarHBondContact NH2-OG 3.27Å; D1766-S1770 WeakPolarHBondContact O-CB 3.27Å; D1766-S1770 PolarHBondContact O-N 3.24Å; D1766-S1770 PolarHBondContact O-OG 3.19Å; D1766-S1770 PolarHBondContact OD1-OG 2.83Å; L1767-S1770 PolarHBondContact O-N 3.44Å |
| 1771 | T | 91.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 6.4 | -178 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | L1727 L1767 F1768 K1769 P1773 K1821 V1824 Q1825 | L1727-T1771 HydrophobicContact CD2-CG2 3.46Å; L1727-T1771 VanDerWaalsContact CD2-CG2 3.46Å; L1767-T1771 WeakPolarHBondContact O-CB 3.19Å; L1767-T1771 VanDerWaalsContact O-CG2 3.27Å; L1767-T1771 WeakPolarHBondContact O-CG2 3.45Å; L1767-T1771 PolarHBondContact O-N 2.84Å; L1767-T1771 VanDerWaalsContact O-N 3.08Å; L1767-T1771 PolarHBondContact O-OG1 3.37Å; F1768-T1771 PolarHBondContact O-OG1 2.72Å; K1769-T1771 VanDerWaalsContact C-N 3.29Å; K1769-T1771 PolarHBondContact O-N 2.87Å; T1771-P1773 VanDerWaalsContact O-CD 3.26Å; T1771-P1773 WeakPolarHBondContact O-CD 3.36Å; T1771-K1821 WeakPolarHBondContact O-CB 3.46Å; T1771-V1824 HydrophobicContact CG2-CB 4.27Å; T1771-V1824 HydrophobicContact CG2-CG1 3.73Å; T1771-Q1825 WeakPolarHBondContact O-CG 3.45Å; T1771-Q1825 PolarHBondContact OG1-NE2 2.79Å |
| 1772 | V | 91.3 | Very high | 89.1 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | trans | -70.2 | 119.5 | 176.8 | -169.4 | 0 | 0 | 0 | 0 | 109.7 | F1768 H1774 F1991 | F1768-V1772 WeakPolarHBondContact O-CG2 3.34Å; V1772-H1774 VanDerWaalsContact CB-CE1 3.47Å; V1772-H1774 WeakPolarHBondContact CB-CE1 3.31Å; V1772-H1774 WeakPolarHBondContact CG1-CE1 3.36Å; V1772-H1774 VanDerWaalsContact CG1-ND1 3.3Å; V1772-H1774 WeakPolarHBondContact CG1-ND1 3.31Å; V1772-H1774 PolarHBondContact O-N 3.29Å; V1772-F1991 HydrophobicContact CG1-CB 4.49Å; V1772-F1991 HydrophobicContact CG1-CD1 4.3Å; V1772-F1991 HydrophobicContact CG1-CD2 3.52Å; V1772-F1991 HydrophobicContact CG1-CE2 3.75Å; V1772-F1991 HydrophobicContact CG1-CG 3.82Å; V1772-F1991 HydrophobicContact CG1-CZ 4.25Å | ||
| 1773 | P | 90.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | trans | -83.1 | 64.8 | -175.9 | 32.1 | -30.9 | 0 | 0 | 0 | 110.9 | T1771 Q1775 L1776 L1818 K1821 F1991 | T1771-P1773 VanDerWaalsContact O-CD 3.26Å; T1771-P1773 WeakPolarHBondContact O-CD 3.36Å; P1773-Q1775 PolarHBondContact O-N 3.3Å; P1773-L1776 HydrophobicContact CB-CB 4.48Å; P1773-L1776 WeakPolarHBondContact O-CB 3.47Å; P1773-L1776 PolarHBondContact O-N 2.98Å; P1773-L1818 HydrophobicContact CB-CD2 3.74Å; P1773-K1821 HydrophobicContact CB-CB 4.03Å; P1773-F1991 HydrophobicContact CG-CE1 3.6Å; P1773-F1991 HydrophobicContact CG-CZ 3.7Å; P1773-F1991 VanDerWaalsContact O-CZ 3.32Å; P1773-F1991 WeakPolarHBondContact O-CZ 3.37Å | ||
| 1774 | H | 89.8 | Confident | 85.7 | Confident | 120 Ų | 120 | 52.1 Ų | 52.1 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -35.6 | -173 | -64.6 | -42.7 | 0 | 0 | 0 | 114.6 | V1772 L1776 L1777 | V1772-H1774 VanDerWaalsContact CB-CE1 3.47Å; V1772-H1774 WeakPolarHBondContact CB-CE1 3.31Å; V1772-H1774 WeakPolarHBondContact CG1-CE1 3.36Å; V1772-H1774 VanDerWaalsContact CG1-ND1 3.3Å; V1772-H1774 WeakPolarHBondContact CG1-ND1 3.31Å; V1772-H1774 PolarHBondContact O-N 3.29Å; H1774-L1776 PolarHBondContact O-N 2.66Å; H1774-L1777 PolarHBondContact O-N 3.1Å; H1774-L1777 VanDerWaalsContact O-N 3.07Å |
| 1775 | Q | 88.2 | Confident | 83.2 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 40% | 0.397 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.2 | -20.6 | 178.5 | -68.7 | 170.8 | -20.1 | 0 | 0 | 113.1 | P1773 L1777 T1778 W1779 L1818 | P1773-Q1775 PolarHBondContact O-N 3.3Å; Q1775-L1777 PolarHBondContact O-N 2.76Å; Q1775-L1777 VanDerWaalsContact O-N 3.16Å; Q1775-T1778 PolarHBondContact O-N 3.46Å; Q1775-T1778 VanDerWaalsContact O-N 3.12Å; Q1775-W1779 WeakPolarHBondContact O-CA 3.41Å; Q1775-W1779 WeakPolarHBondContact O-CB 3.31Å; Q1775-W1779 PolarHBondContact O-N 2.74Å; Q1775-L1818 HydrophobicContact CB-CD1 4.03Å; Q1775-L1818 HydrophobicContact CB-CD2 3.98Å |
| 1776 | L | 86.9 | Confident | 80.6 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.7 | -32 | 173.2 | -158.7 | 85.2 | 0 | 0 | 0 | 111.7 | P1773 H1774 F1991 F1995 Q2001 L2005 F2010 L2018 | P1773-L1776 HydrophobicContact CB-CB 4.48Å; P1773-L1776 WeakPolarHBondContact O-CB 3.47Å; P1773-L1776 PolarHBondContact O-N 2.98Å; H1774-L1776 PolarHBondContact O-N 2.66Å; L1776-F1991 HydrophobicContact CB-CZ 4.24Å; L1776-F1991 HydrophobicContact CD2-CE1 4.32Å; L1776-F1991 HydrophobicContact CD2-CZ 4.35Å; L1776-F1995 HydrophobicContact CD1-CE2 4.25Å; L1776-F1995 HydrophobicContact CD1-CZ 4.3Å; L1776-F1995 HydrophobicContact CD2-CB 4.29Å; L1776-F1995 HydrophobicContact CD2-CD1 3.73Å; L1776-F1995 HydrophobicContact CD2-CD2 3.29Å; L1776-F1995 HydrophobicContact CD2-CE1 3.75Å; L1776-F1995 HydrophobicContact CD2-CE2 3.33Å; L1776-F1995 HydrophobicContact CD2-CG 3.48Å; L1776-F1995 VanDerWaalsContact CD2-CG 3.48Å; L1776-F1995 HydrophobicContact CD2-CZ 3.54Å; L1776-F1995 HydrophobicContact CG-CD2 3.68Å; L1776-F1995 HydrophobicContact CG-CE2 3.4Å; L1776-F1995 HydrophobicContact CG-CG 4.37Å; L1776-F1995 HydrophobicContact CG-CZ 3.85Å; L1776-Q2001 WeakPolarHBondContact O-CG 3.15Å; L1776-Q2001 PolarHBondContact O-NE2 3.44Å; L1776-L2005 HydrophobicContact CD1-CD1 3.83Å; L1776-L2005 HydrophobicContact CG-CD1 3.89Å; L1776-L2005 WeakPolarHBondContact O-CD1 3.37Å; L1776-F2010 HydrophobicContact CD1-CD1 4.39Å; L1776-F2010 HydrophobicContact CD1-CE1 3.65Å; L1776-F2010 HydrophobicContact CD1-CE2 4.12Å; L1776-F2010 HydrophobicContact CD1-CZ 3.5Å; L1776-F2010 VanDerWaalsContact CD1-CZ 3.5Å; L1776-L2018 HydrophobicContact CD2-CD1 3.83Å |
| 1777 | L | 88.8 | Confident | 77.8 | Confident | 29 Ų | 29 | 68.5 Ų | 68.5 | 15% | 0.152 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -88.9 | -20.3 | 179.1 | -63 | 176.8 | 0 | 0 | 0 | 114 | H1774 Q1775 F1991 K1994 F1995 | H1774-L1777 PolarHBondContact O-N 3.1Å; H1774-L1777 VanDerWaalsContact O-N 3.07Å; Q1775-L1777 PolarHBondContact O-N 2.76Å; Q1775-L1777 VanDerWaalsContact O-N 3.16Å; L1777-F1991 HydrophobicContact CD1-CD2 3.81Å; L1777-F1991 HydrophobicContact CD1-CE2 3.49Å; L1777-F1991 VanDerWaalsContact CD1-CE2 3.49Å; L1777-F1991 HydrophobicContact CD1-CZ 4.32Å; L1777-F1991 HydrophobicContact CG-CE2 3.82Å; L1777-F1991 HydrophobicContact CG-CZ 4.21Å; L1777-K1994 HydrophobicContact CD1-CD 3.86Å; L1777-K1994 HydrophobicContact CD1-CG 4.19Å; L1777-K1994 HydrophobicContact CD2-CG 4.22Å; L1777-F1995 HydrophobicContact CD2-CB 3.84Å; L1777-F1995 HydrophobicContact CD2-CD2 4.1Å; L1777-F1995 HydrophobicContact CD2-CG 4.5Å |
| 1778 | T | 87.8 | Confident | 74.9 | Confident | 83 Ų | 83 | 75.6 Ų | 75.6 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -121.5 | -8 | -168.9 | 60.5 | 0 | 0 | 0 | 0 | 114.4 | Q1775 R1780 Q1783 | Q1775-T1778 PolarHBondContact O-N 3.46Å; Q1775-T1778 VanDerWaalsContact O-N 3.12Å; T1778-R1780 PolarHBondContact O-N 2.82Å; T1778-Q1783 PolarHBondContact O-NE2 3.03Å; T1778-Q1783 VanDerWaalsContact O-NE2 3.15Å |
| 1779 | W | 86.8 | Confident | 72.1 | Confident | 6 Ų | 6 | 82.5 Ų | 82.5 | 2% | 0.023 | 42% | 0.42 | C | S | . | . | trans | -64.1 | 128.5 | -178.2 | -175.1 | 88.6 | 0 | 0 | 0 | 110.6 | Q1775 P1781 R1811 F1815 Q2001 I2004 L2005 A2008 | Q1775-W1779 WeakPolarHBondContact O-CA 3.41Å; Q1775-W1779 WeakPolarHBondContact O-CB 3.31Å; Q1775-W1779 PolarHBondContact O-N 2.74Å; W1779-P1781 HydrophobicContact CH2-CB 4.29Å; W1779-P1781 HydrophobicContact CH2-CG 4.18Å; W1779-P1781 HydrophobicContact CZ3-CG 4.03Å; W1779-R1811 HydrophobicContact CZ2-CG 4.33Å; W1779-F1815 HydrophobicContact CD2-CE1 4.1Å; W1779-F1815 HydrophobicContact CD2-CZ 4.27Å; W1779-F1815 AromaticContact CE2-CE1 3.79Å; W1779-F1815 AromaticContact CE2-CZ 3.92Å; W1779-F1815 HydrophobicContact CE3-CZ 4.44Å; W1779-F1815 HydrophobicContact CG-CE1 4.46Å; W1779-F1815 AromaticContact CH2-CZ 3.98Å; W1779-F1815 HydrophobicContact CH2-CZ 3.98Å; W1779-F1815 HydrophobicContact CZ2-CE1 4.1Å; W1779-F1815 AromaticContact CZ2-CZ 3.77Å; W1779-F1815 HydrophobicContact CZ2-CZ 3.77Å; W1779-F1815 HydrophobicContact CZ3-CZ 4.31Å; W1779-F1815 AromaticContact NE1-CE1 3.95Å; W1779-Q2001 PolarHBondContact O-NE2 3.09Å; W1779-I2004 HydrophobicContact CE3-CG2 3.94Å; W1779-I2004 HydrophobicContact CZ3-CG2 3.76Å; W1779-L2005 HydrophobicContact CB-CD2 4.38Å; W1779-L2005 HydrophobicContact CD2-CD2 4.26Å; W1779-L2005 HydrophobicContact CE3-CD2 3.89Å; W1779-L2005 HydrophobicContact CG-CD2 4.48Å; W1779-A2008 HydrophobicContact CH2-CB 3.39Å; W1779-A2008 HydrophobicContact CZ2-CB 4.41Å; W1779-A2008 HydrophobicContact CZ3-CB 3.46Å; W1779-A2008 VanDerWaalsContact CZ3-CB 3.46Å | ||
| 1780 | R | 82.2 | Confident | 69.4 | Low | 88 Ų | 88 | 83 Ų | 83 | 33% | 0.332 | 43% | 0.43 | S | S | . | . | trans | -127.4 | 147.7 | 174.1 | -62.5 | -68.7 | 175.2 | 164.6 | -6.5 | 109.5 | T1778 E1782 Q1783 E2000 | T1778-R1780 PolarHBondContact O-N 2.82Å; R1780-E1782 PolarHBondContact O-N 2.88Å; R1780-E1782 VanDerWaalsContact O-N 3.16Å; R1780-Q1783 HydrophobicContact CB-CG 4.45Å; R1780-Q1783 PolarHBondContact O-N 3.4Å; R1780-E2000 IonicContact CZ-OE1 3.91Å; R1780-E2000 IonicContact NH1-OE1 2.97Å; R1780-E2000 PolarHBondContact NH1-OE1 3.48Å; R1780-E2000 IonicContact NH2-OE1 3.86Å | ||
| 1781 | P | 72.7 | Confident | 66.7 | Low | 63 Ų | 63 | 89.8 Ų | 89.8 | 41% | 0.409 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -56.2 | -31.8 | -178.1 | -24.5 | 33.8 | 0 | 0 | 0 | 114.3 | W1779 Q1783 I2004 | W1779-P1781 HydrophobicContact CH2-CB 4.29Å; W1779-P1781 HydrophobicContact CH2-CG 4.18Å; W1779-P1781 HydrophobicContact CZ3-CG 4.03Å; P1781-Q1783 VanDerWaalsContact C-N 3.29Å; P1781-Q1783 PolarHBondContact O-N 2.96Å; P1781-I2004 HydrophobicContact CG-CG2 4.33Å |
| 1782 | E | 68.7 | Low | 63.9 | Low | 150 Ų | 150 | 96.1 Ų | 96.1 | 70% | 0.701 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -74 | -13.5 | -177.2 | -54.8 | 87.3 | -175.5 | 0 | 0 | 114.3 | R1780 M1784 | R1780-E1782 PolarHBondContact O-N 2.88Å; R1780-E1782 VanDerWaalsContact O-N 3.16Å; E1782-M1784 PolarHBondContact O-N 3.38Å |
| 1783 | Q | 61.3 | Low | 61 | Low | 114 Ų | 114 | 102.5 Ų | 102.5 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -69.3 | 1.2 | -179.6 | -69.3 | 172.3 | -4.8 | 0 | 0 | 113.7 | T1778 R1780 P1781 | T1778-Q1783 PolarHBondContact O-NE2 3.03Å; T1778-Q1783 VanDerWaalsContact O-NE2 3.15Å; R1780-Q1783 HydrophobicContact CB-CG 4.45Å; R1780-Q1783 PolarHBondContact O-N 3.4Å; P1781-Q1783 VanDerWaalsContact C-N 3.29Å; P1781-Q1783 PolarHBondContact O-N 2.96Å |
| 1784 | M | 56.4 | Low | 58.3 | Low | 58 Ų | 58 | 107 Ų | 107 | 29% | 0.286 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -133.2 | 85.2 | 170 | -82.2 | -174.5 | 153.8 | 0 | 0 | 110.3 | E1782 I1786 A1810 R1811 | E1782-M1784 PolarHBondContact O-N 3.38Å; M1784-I1786 PolarHBondContact O-N 3.41Å; M1784-A1810 HydrophobicContact CE-CB 3.33Å; M1784-A1810 HydrophobicContact SD-CB 4.24Å; M1784-R1811 HydrophobicContact SD-CB 4.13Å |
| 1785 | P | 40.8 | Very low | 55.6 | Low | 120 Ų | 120 | 107.1 Ų | 107.1 | 78% | 0.779 | 57% | 0.573 | S | S | * | * | trans | -65.2 | 131.8 | -179.3 | 24.6 | -30.7 | 0 | 0 | 0 | 111.4 | ||||
| 1786 | I | 41.3 | Very low | 52.7 | Low | 127 Ų | 127 | 108.7 Ų | 108.7 | 65% | 0.651 | 59% | 0.594 | S | S | * | * | trans | -101.2 | 73.2 | 176.2 | -51.4 | 169.7 | 0 | 0 | 0 | 107.6 | M1784 | M1784-I1786 PolarHBondContact O-N 3.41Š| ||
| 1787 | E | 34.6 | Very low | 50.1 | Low | 170 Ų | 170 | 118.7 Ų | 118.7 | 79% | 0.794 | 64% | 0.638 | S | S | * | * | trans | -146.2 | 117.6 | 171.8 | -72.4 | -167.2 | 173 | 0 | 0 | 112.4 | ||||
| 1788 | I | 34.6 | Very low | 47.3 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | trans | -126.1 | 106.3 | 143.2 | -60.3 | -179.5 | 0 | 0 | 0 | 106 | ||||
| 1789 | N | 35.7 | Very low | 44.5 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 81% | 0.807 | 68% | 0.681 | S | S | * | * | trans | -86.3 | 134.8 | 170 | -149.6 | 7.6 | 0 | 0 | 0 | 107.9 | Q1791 | N1789-Q1791 PolarHBondContact O-N 3Š| ||
| 1790 | D | 35.1 | Very low | 41.8 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 81% | 0.807 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -86.1 | 33.8 | -146.7 | -126.3 | -7.2 | 0 | 0 | 0 | 116.4 | ||
| 1791 | Q | 34.7 | Very low | 39.4 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -131.3 | 14.3 | -165.2 | -74.1 | -166.9 | -5 | 0 | 0 | 120.5 | N1789 | N1789-Q1791 PolarHBondContact O-N 3Š| ||
| 1792 | T | 32.6 | Very low | 37.4 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -131.7 | 19.2 | 179.5 | -20.3 | 0 | 0 | 0 | 0 | 118 | ||
| 1793 | I | 31.7 | Very low | 36 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | trans | -122.9 | 65.3 | 168.8 | -48.3 | 179.8 | 0 | 0 | 0 | 110.1 | ||||
| 1794 | A | 33.5 | Very low | 34.8 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | -121.7 | 44 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1795 | T | 32.4 | Very low | 34.1 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -155 | 127.3 | 161 | 41 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1796 | S | 28.6 | Very low | 34.5 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 77.4 | 82 | -179 | 69.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1797 | F | 31.3 | Very low | 35.2 | Very low | 211 Ų | 211 | 140.2 Ų | 140.2 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | -62 | 130.1 | 152.3 | -91.3 | -108.3 | 0 | 0 | 0 | 109.8 | ||||
| 1798 | V | 30.1 | Very low | 36.6 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 169.4 | 118.4 | 134.2 | 159.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1799 | N | 29.5 | Very low | 38.1 | Very low | 149 Ų | 149 | 134.6 Ų | 134.6 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | 56.8 | 93 | 163.4 | -67.9 | -11.9 | 0 | 0 | 0 | 120.1 | ||||
| 1800 | T | 30 | Very low | 39.7 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | trans | -168.2 | 111.2 | 133.8 | 16.3 | 0 | 0 | 0 | 0 | 110.1 | Q1802 | T1800-Q1802 PolarHBondContact O-N 3.32Š| ||
| 1801 | N | 31.5 | Very low | 41.8 | Very low | 170 Ų | 170 | 123.8 Ų | 123.8 | 91% | 0.909 | 69% | 0.689 | S | S | * | * | trans | -97.8 | 51.1 | -179.1 | -103.6 | -20.7 | 0 | 0 | 0 | 111.6 | ||||
| 1802 | Q | 31.2 | Very low | 43.7 | Very low | 162 Ų | 162 | 117.9 Ų | 117.9 | 76% | 0.757 | 67% | 0.671 | S | S | * | * | trans | -93.4 | 96.5 | 167.8 | -82.3 | -176.5 | -11.1 | 0 | 0 | 109.3 | T1800 S1804 | T1800-Q1802 PolarHBondContact O-N 3.32Å; Q1802-S1804 PolarHBondContact O-N 3.25Å | ||
| 1803 | K | 38.1 | Very low | 45.8 | Very low | 200 Ų | 200 | 116.6 Ų | 116.6 | 87% | 0.87 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 118.2 | 168.6 | -76.5 | 178.8 | 175.7 | 177.7 | 0 | 108.6 | ||
| 1804 | S | 36.9 | Very low | 48.2 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 140.2 | 176.3 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | Q1802 | Q1802-S1804 PolarHBondContact O-N 3.25Š|
| 1805 | I | 41.7 | Very low | 50.8 | Low | 123 Ų | 123 | 106.7 Ų | 106.7 | 63% | 0.631 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 127 | 178.2 | -59.6 | 168.1 | 0 | 0 | 0 | 108.3 | G1807 V1809 A1810 | I1805-G1807 PolarHBondContact O-N 3.46Å; I1805-V1809 HydrophobicContact CG2-CB 4.08Å; I1805-V1809 HydrophobicContact CG2-CG1 4.17Å; I1805-A1810 HydrophobicContact CG2-CB 4.34Å |
| 1806 | P | 49.4 | Very low | 53.1 | Low | 88 Ų | 88 | 103.6 Ų | 103.6 | 57% | 0.571 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 132.2 | 177.6 | -22 | 31.7 | 0 | 0 | 0 | 111.4 | H1808 V1809 A1810 | P1806-H1808 PolarHBondContact O-N 2.87Å; P1806-V1809 HydrophobicContact CB-CG2 4.47Å; P1806-V1809 PolarHBondContact O-N 2.85Å; P1806-A1810 PolarHBondContact O-N 3.29Å |
| 1807 | G | 56.9 | Low | 55.8 | Low | 33 Ų | 33 | 99 Ų | 99 | 34% | 0.34 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -54.3 | -27.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1805 R1811 | I1805-G1807 PolarHBondContact O-N 3.46Å; G1807-R1811 WeakPolarHBondContact O-CB 3.46Å; G1807-R1811 PolarHBondContact O-N 3.11Å |
| 1808 | H | 63.5 | Low | 58.5 | Low | 131 Ų | 131 | 89.1 Ų | 89.1 | 61% | 0.606 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.8 | -38.1 | 173.5 | -81.1 | -77.6 | 0 | 0 | 0 | 113.6 | P1806 A1812 | P1806-H1808 PolarHBondContact O-N 2.87Å; H1808-A1812 WeakPolarHBondContact O-CB 3.39Å; H1808-A1812 PolarHBondContact O-N 3.44Å |
| 1809 | V | 66.7 | Low | 61.2 | Low | 71 Ų | 71 | 86.3 Ų | 86.3 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.3 | -41.5 | 177.4 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | I1805 P1806 R1811 A1812 H1813 | I1805-V1809 HydrophobicContact CG2-CB 4.08Å; I1805-V1809 HydrophobicContact CG2-CG1 4.17Å; P1806-V1809 HydrophobicContact CB-CG2 4.47Å; P1806-V1809 PolarHBondContact O-N 2.85Å; V1809-R1811 VanDerWaalsContact C-N 3.35Å; V1809-R1811 PolarHBondContact O-N 3.44Å; V1809-A1812 PolarHBondContact O-N 3.37Å; V1809-H1813 PolarHBondContact O-N 2.78Å |
| 1810 | A | 68.4 | Low | 63.9 | Low | 27 Ų | 27 | 79.5 Ų | 79.5 | 22% | 0.223 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1784 I1805 P1806 L1814 | M1784-A1810 HydrophobicContact CE-CB 3.33Å; M1784-A1810 HydrophobicContact SD-CB 4.24Å; I1805-A1810 HydrophobicContact CG2-CB 4.34Å; P1806-A1810 PolarHBondContact O-N 3.29Å; A1810-L1814 WeakPolarHBondContact O-CB 3.39Å; A1810-L1814 PolarHBondContact O-N 3.06Å |
| 1811 | R | 78.7 | Confident | 66.9 | Low | 47 Ų | 47 | 75.6 Ų | 75.6 | 18% | 0.177 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 172.9 | -173.7 | -173.4 | -60.2 | 164.8 | 0.5 | 112.4 | W1779 M1784 G1807 V1809 L1814 F1815 | W1779-R1811 HydrophobicContact CZ2-CG 4.33Å; M1784-R1811 HydrophobicContact SD-CB 4.13Å; G1807-R1811 WeakPolarHBondContact O-CB 3.46Å; G1807-R1811 PolarHBondContact O-N 3.11Å; V1809-R1811 VanDerWaalsContact C-N 3.35Å; V1809-R1811 PolarHBondContact O-N 3.44Å; R1811-L1814 WeakPolarHBondContact O-CB 3.47Å; R1811-L1814 PolarHBondContact O-N 3.35Å; R1811-F1815 HydrophobicContact CG-CD1 4.38Å; R1811-F1815 HydrophobicContact CG-CD2 4.16Å; R1811-F1815 HydrophobicContact CG-CE1 4.08Å; R1811-F1815 HydrophobicContact CG-CE2 3.83Å; R1811-F1815 HydrophobicContact CG-CG 4.43Å; R1811-F1815 HydrophobicContact CG-CZ 3.79Å; R1811-F1815 WeakPolarHBondContact O-CB 3.32Å; R1811-F1815 WeakPolarHBondContact O-CG 3.28Å; R1811-F1815 PolarHBondContact O-N 3.18Å |
| 1812 | A | 74.9 | Confident | 69.7 | Low | 60 Ų | 60 | 68 Ų | 68 | 50% | 0.496 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1808 V1809 F1815 A1816 | H1808-A1812 WeakPolarHBondContact O-CB 3.39Å; H1808-A1812 PolarHBondContact O-N 3.44Å; V1809-A1812 PolarHBondContact O-N 3.37Å; A1812-F1815 PolarHBondContact O-N 2.9Å; A1812-A1816 WeakPolarHBondContact O-CB 3.24Å; A1812-A1816 PolarHBondContact O-N 2.98Å |
| 1813 | H | 77.2 | Confident | 72.5 | Confident | 109 Ų | 109 | 61.4 Ų | 61.4 | 51% | 0.505 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 173.1 | -98.3 | -82.9 | 0 | 0 | 0 | 112 | E1729 V1809 F1815 A1816 D1817 | E1729-H1813 IonicContact OE2-ND1 3.27Å; V1809-H1813 PolarHBondContact O-N 2.78Å; H1813-F1815 VanDerWaalsContact C-N 3.3Å; H1813-F1815 PolarHBondContact O-N 2.73Å; H1813-A1816 PolarHBondContact O-N 2.94Å; H1813-D1817 PolarHBondContact O-N 3.1Å |
| 1814 | L | 82.2 | Confident | 75 | Confident | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.199 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.7 | -45.5 | 176.8 | -171.9 | 66.6 | 0 | 0 | 0 | 111.8 | A1810 R1811 D1817 L1818 | A1810-L1814 WeakPolarHBondContact O-CB 3.39Å; A1810-L1814 PolarHBondContact O-N 3.06Å; R1811-L1814 WeakPolarHBondContact O-CB 3.47Å; R1811-L1814 PolarHBondContact O-N 3.35Å; L1814-D1817 PolarHBondContact O-N 3.46Å; L1814-L1818 HydrophobicContact CG-CD1 4.16Å; L1814-L1818 WeakPolarHBondContact O-CB 3.36Å; L1814-L1818 VanDerWaalsContact O-CG 3.28Å; L1814-L1818 WeakPolarHBondContact O-CG 3.46Å; L1814-L1818 PolarHBondContact O-N 2.95Å |
| 1815 | F | 87.4 | Confident | 77.7 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.6 | -37 | -179.4 | -73.6 | 0.3 | 0 | 0 | 0 | 112.4 | W1779 R1811 A1812 H1813 L1819 L2005 A2008 F2010 | W1779-F1815 HydrophobicContact CD2-CE1 4.1Å; W1779-F1815 HydrophobicContact CD2-CZ 4.27Å; W1779-F1815 AromaticContact CE2-CE1 3.79Å; W1779-F1815 AromaticContact CE2-CZ 3.92Å; W1779-F1815 HydrophobicContact CE3-CZ 4.44Å; W1779-F1815 HydrophobicContact CG-CE1 4.46Å; W1779-F1815 AromaticContact CH2-CZ 3.98Å; W1779-F1815 HydrophobicContact CH2-CZ 3.98Å; W1779-F1815 HydrophobicContact CZ2-CE1 4.1Å; W1779-F1815 AromaticContact CZ2-CZ 3.77Å; W1779-F1815 HydrophobicContact CZ2-CZ 3.77Å; W1779-F1815 HydrophobicContact CZ3-CZ 4.31Å; W1779-F1815 AromaticContact NE1-CE1 3.95Å; R1811-F1815 HydrophobicContact CG-CD1 4.38Å; R1811-F1815 HydrophobicContact CG-CD2 4.16Å; R1811-F1815 HydrophobicContact CG-CE1 4.08Å; R1811-F1815 HydrophobicContact CG-CE2 3.83Å; R1811-F1815 HydrophobicContact CG-CG 4.43Å; R1811-F1815 HydrophobicContact CG-CZ 3.79Å; R1811-F1815 WeakPolarHBondContact O-CB 3.32Å; R1811-F1815 WeakPolarHBondContact O-CG 3.28Å; R1811-F1815 PolarHBondContact O-N 3.18Å; A1812-F1815 PolarHBondContact O-N 2.9Å; H1813-F1815 VanDerWaalsContact C-N 3.3Å; H1813-F1815 PolarHBondContact O-N 2.73Å; F1815-L1819 VanDerWaalsContact O-CB 3.29Å; F1815-L1819 WeakPolarHBondContact O-CB 3.41Å; F1815-L1819 PolarHBondContact O-N 2.85Å; F1815-L2005 HydrophobicContact CE1-CD2 4.28Å; F1815-L2005 HydrophobicContact CZ-CD2 4.36Å; F1815-A2008 HydrophobicContact CE2-CB 3.87Å; F1815-A2008 WeakPolarHBondContact CE2-O 3.27Å; F1815-A2008 HydrophobicContact CZ-CB 3.76Å; F1815-F2010 HydrophobicContact CB-CD2 3.75Å; F1815-F2010 HydrophobicContact CB-CE2 4.27Å; F1815-F2010 AromaticContact CD1-CD2 3.86Å; F1815-F2010 HydrophobicContact CD1-CD2 3.86Å; F1815-F2010 HydrophobicContact CD2-CB 4Å; F1815-F2010 HydrophobicContact CD2-CD2 4.11Å; F1815-F2010 HydrophobicContact CE1-CD2 4.45Å; F1815-F2010 HydrophobicContact CE2-CB 4.01Å; F1815-F2010 HydrophobicContact CG-CB 4.4Å; F1815-F2010 AromaticContact CG-CD2 3.66Å; F1815-F2010 HydrophobicContact CG-CD2 3.66Å; F1815-F2010 HydrophobicContact CZ-CB 4.44Å; F1815-F2010 WeakPolarHBondContact O-CE2 3.42Å |
| 1816 | A | 81.3 | Confident | 80.2 | Confident | 56 Ų | 56 | 43.6 Ų | 43.6 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1812 H1813 L1819 N1820 | A1812-A1816 WeakPolarHBondContact O-CB 3.24Å; A1812-A1816 PolarHBondContact O-N 2.98Å; H1813-A1816 PolarHBondContact O-N 2.94Å; A1816-L1819 PolarHBondContact O-N 3.03Å; A1816-N1820 WeakPolarHBondContact O-CB 3.45Å; A1816-N1820 PolarHBondContact O-N 3.19Å |
| 1817 | D | 84.9 | Confident | 82.2 | Confident | 24 Ų | 24 | 41.6 Ų | 41.6 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 176.7 | 176 | 47.8 | 0 | 0 | 0 | 112 | H1813 L1814 L1819 N1820 K1821 | H1813-D1817 PolarHBondContact O-N 3.1Å; L1814-D1817 PolarHBondContact O-N 3.46Å; D1817-L1819 VanDerWaalsContact C-N 3.34Å; D1817-L1819 PolarHBondContact O-N 2.87Å; D1817-N1820 WeakPolarHBondContact O-CB 3.49Å; D1817-N1820 PolarHBondContact O-N 2.71Å; D1817-K1821 WeakPolarHBondContact O-CG 3.3Å; D1817-K1821 PolarHBondContact O-N 3.24Å; D1817-K1821 WeakPolarHBondContact OD1-CE 3.19Å; D1817-K1821 IonicContact OD1-NZ 2.84Å; D1817-K1821 WeakPolarHBondContact OD2-CE 3.46Å; D1817-K1821 IonicContact OD2-NZ 3.25Å; D1817-K1821 PolarHBondContact OD2-NZ 3.04Å |
| 1818 | L | 88.4 | Confident | 84 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 176.8 | -70.3 | 174.2 | 0 | 0 | 0 | 112.4 | P1773 Q1775 L1814 K1821 C1822 F2010 | P1773-L1818 HydrophobicContact CB-CD2 3.74Å; Q1775-L1818 HydrophobicContact CB-CD1 4.03Å; Q1775-L1818 HydrophobicContact CB-CD2 3.98Å; L1814-L1818 HydrophobicContact CG-CD1 4.16Å; L1814-L1818 WeakPolarHBondContact O-CB 3.36Å; L1814-L1818 VanDerWaalsContact O-CG 3.28Å; L1814-L1818 WeakPolarHBondContact O-CG 3.46Å; L1814-L1818 PolarHBondContact O-N 2.95Å; L1818-K1821 PolarHBondContact O-N 3.12Å; L1818-C1822 PolarHBondContact O-N 3.35Å; L1818-C1822 PolarHBondContact O-SG 3.21Å; L1818-F2010 HydrophobicContact CB-CE2 3.83Å; L1818-F2010 HydrophobicContact CB-CZ 4.32Å |
| 1819 | L | 87.1 | Confident | 85.5 | Confident | 70 Ų | 70 | 34 Ų | 34 | 37% | 0.366 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 175.4 | -176.6 | 67.5 | 0 | 0 | 0 | 111.1 | F1815 A1816 D1817 C1822 V1823 F2010 | F1815-L1819 VanDerWaalsContact O-CB 3.29Å; F1815-L1819 WeakPolarHBondContact O-CB 3.41Å; F1815-L1819 PolarHBondContact O-N 2.85Å; A1816-L1819 PolarHBondContact O-N 3.03Å; D1817-L1819 VanDerWaalsContact C-N 3.34Å; D1817-L1819 PolarHBondContact O-N 2.87Å; L1819-C1822 WeakPolarHBondContact O-CB 3.31Å; L1819-C1822 PolarHBondContact O-N 2.87Å; L1819-V1823 WeakPolarHBondContact O-CG2 3.25Å; L1819-V1823 PolarHBondContact O-N 3.46Å; L1819-F2010 HydrophobicContact CB-CE2 4.44Å; L1819-F2010 HydrophobicContact CB-CZ 4.3Å; L1819-F2010 HydrophobicContact CD1-CZ 4.45Å |
| 1820 | N | 86 | Confident | 86.7 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | 176.9 | -178.6 | 49.6 | 0 | 0 | 0 | 111.6 | Q1728 E1729 E1731 A1816 D1817 C1822 V1823 V1824 | Q1728-N1820 PolarHBondContact O-ND2 3Å; E1729-N1820 PolarHBondContact O-ND2 3.37Å; E1731-N1820 WeakPolarHBondContact CA-OD1 3.49Å; A1816-N1820 WeakPolarHBondContact O-CB 3.45Å; A1816-N1820 PolarHBondContact O-N 3.19Å; D1817-N1820 WeakPolarHBondContact O-CB 3.49Å; D1817-N1820 PolarHBondContact O-N 2.71Å; N1820-C1822 VanDerWaalsContact C-N 3.32Å; N1820-C1822 PolarHBondContact O-N 2.73Å; N1820-V1823 WeakPolarHBondContact O-CA 3.37Å; N1820-V1823 WeakPolarHBondContact O-CB 3.43Å; N1820-V1823 PolarHBondContact O-N 3.49Å; N1820-V1824 WeakPolarHBondContact O-CG2 3.49Å; N1820-V1824 PolarHBondContact O-N 3.15Å |
| 1821 | K | 92 | Very high | 87.8 | Confident | 56 Ų | 56 | 32.9 Ų | 32.9 | 24% | 0.243 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.2 | -42.4 | 172.8 | -79.5 | 171 | 178.8 | 160.1 | 0 | 112.8 | T1771 P1773 D1817 L1818 V1824 Q1825 | T1771-K1821 WeakPolarHBondContact O-CB 3.46Å; P1773-K1821 HydrophobicContact CB-CB 4.03Å; D1817-K1821 WeakPolarHBondContact O-CG 3.3Å; D1817-K1821 PolarHBondContact O-N 3.24Å; D1817-K1821 WeakPolarHBondContact OD1-CE 3.19Å; D1817-K1821 IonicContact OD1-NZ 2.84Å; D1817-K1821 WeakPolarHBondContact OD2-CE 3.46Å; D1817-K1821 IonicContact OD2-NZ 3.25Å; D1817-K1821 PolarHBondContact OD2-NZ 3.04Å; L1818-K1821 PolarHBondContact O-N 3.12Å; K1821-V1824 PolarHBondContact O-N 3.28Å; K1821-Q1825 WeakPolarHBondContact O-CB 3.38Å; K1821-Q1825 WeakPolarHBondContact O-CG 3.19Å; K1821-Q1825 PolarHBondContact O-N 3.07Å |
| 1822 | C | 90.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -41.1 | 173.4 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | L1818 L1819 N1820 Y1826 L2018 | L1818-C1822 PolarHBondContact O-N 3.35Å; L1818-C1822 PolarHBondContact O-SG 3.21Å; L1819-C1822 WeakPolarHBondContact O-CB 3.31Å; L1819-C1822 PolarHBondContact O-N 2.87Å; N1820-C1822 VanDerWaalsContact C-N 3.32Å; N1820-C1822 PolarHBondContact O-N 2.73Å; C1822-Y1826 PolarHBondContact O-N 3.39Å; C1822-L2018 HydrophobicContact CB-CD2 3.98Å |
| 1823 | V | 90.3 | Very high | 89.4 | Confident | 24 Ų | 24 | 28.8 Ų | 28.8 | 15% | 0.145 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63 | -50.7 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 110 | E1731 R1735 L1819 N1820 Q1825 Y1826 E1827 | E1731-V1823 HydrophobicContact CG-CG1 4.23Å; R1735-V1823 HydrophobicContact CG-CG1 4.15Å; R1735-V1823 VanDerWaalsContact NH2-CG1 3.28Å; L1819-V1823 WeakPolarHBondContact O-CG2 3.25Å; L1819-V1823 PolarHBondContact O-N 3.46Å; N1820-V1823 WeakPolarHBondContact O-CA 3.37Å; N1820-V1823 WeakPolarHBondContact O-CB 3.43Å; N1820-V1823 PolarHBondContact O-N 3.49Å; V1823-Q1825 VanDerWaalsContact C-N 3.34Å; V1823-Q1825 PolarHBondContact O-N 3.28Å; V1823-Y1826 PolarHBondContact O-N 2.95Å; V1823-Y1826 VanDerWaalsContact O-N 3.1Å; V1823-E1827 HydrophobicContact CG1-CG 4.17Å; V1823-E1827 VanDerWaalsContact O-CG 3.31Å; V1823-E1827 WeakPolarHBondContact O-CG 3.49Å; V1823-E1827 PolarHBondContact O-N 3.24Å |
| 1824 | V | 90.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | -179.1 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | A1734 T1738 T1771 N1820 K1821 Y1826 E1827 L1828 | A1734-V1824 HydrophobicContact CB-CG2 3.52Å; T1738-V1824 HydrophobicContact CG2-CG1 4.03Å; T1771-V1824 HydrophobicContact CG2-CB 4.27Å; T1771-V1824 HydrophobicContact CG2-CG1 3.73Å; N1820-V1824 WeakPolarHBondContact O-CG2 3.49Å; N1820-V1824 PolarHBondContact O-N 3.15Å; K1821-V1824 PolarHBondContact O-N 3.28Å; V1824-Y1826 VanDerWaalsContact C-N 3.31Å; V1824-Y1826 PolarHBondContact O-N 3.2Å; V1824-E1827 PolarHBondContact O-N 3.36Å; V1824-L1828 HydrophobicContact CG1-CD1 3.97Å; V1824-L1828 HydrophobicContact CG1-CG 4.17Å; V1824-L1828 WeakPolarHBondContact O-CB 3.41Å; V1824-L1828 VanDerWaalsContact O-CG 3.25Å; V1824-L1828 WeakPolarHBondContact O-CG 3.27Å; V1824-L1828 PolarHBondContact O-N 3.44Å |
| 1825 | Q | 92.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.2 | -46.3 | 173.1 | -82.6 | -78 | -34.2 | 0 | 0 | 112.6 | F1768 T1771 K1821 V1823 L1828 I1829 S1988 | F1768-Q1825 PolarHBondContact O-NE2 3.1Å; T1771-Q1825 WeakPolarHBondContact O-CG 3.45Å; T1771-Q1825 PolarHBondContact OG1-NE2 2.79Å; K1821-Q1825 WeakPolarHBondContact O-CB 3.38Å; K1821-Q1825 WeakPolarHBondContact O-CG 3.19Å; K1821-Q1825 PolarHBondContact O-N 3.07Å; V1823-Q1825 VanDerWaalsContact C-N 3.34Å; V1823-Q1825 PolarHBondContact O-N 3.28Å; Q1825-L1828 PolarHBondContact O-N 2.93Å; Q1825-I1829 WeakPolarHBondContact O-CD1 3.2Å; Q1825-I1829 WeakPolarHBondContact O-CG1 3.45Å; Q1825-I1829 PolarHBondContact O-N 3.46Å; Q1825-I1829 VanDerWaalsContact O-N 3.13Å; Q1825-S1988 PolarHBondContact OE1-OG 3.23Å |
| 1826 | Y | 93.7 | Very high | 90.7 | Very high | 42 Ų | 42 | 22.7 Ų | 22.7 | 17% | 0.165 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 179.4 | -176.1 | -111.7 | 0 | 0 | 0 | 112.3 | C1822 V1823 V1824 L1828 I1829 Q1830 K2020 Q2021 H2024 | C1822-Y1826 PolarHBondContact O-N 3.39Å; V1823-Y1826 PolarHBondContact O-N 2.95Å; V1823-Y1826 VanDerWaalsContact O-N 3.1Å; V1824-Y1826 VanDerWaalsContact C-N 3.31Å; V1824-Y1826 PolarHBondContact O-N 3.2Å; Y1826-L1828 VanDerWaalsContact C-N 3.31Å; Y1826-L1828 PolarHBondContact O-N 2.96Å; Y1826-I1829 WeakPolarHBondContact O-CB 3.39Å; Y1826-I1829 PolarHBondContact O-N 3.36Å; Y1826-Q1830 VanDerWaalsContact CE1-CD 3.45Å; Y1826-Q1830 HydrophobicContact CE1-CG 4.2Å; Y1826-Q1830 VanDerWaalsContact CE1-OE1 3.25Å; Y1826-Q1830 WeakPolarHBondContact O-CG 3.13Å; Y1826-Q1830 PolarHBondContact O-N 2.83Å; Y1826-K2020 HydrophobicContact CD2-CB 4.23Å; Y1826-K2020 HydrophobicContact CE2-CB 3.58Å; Y1826-Q2021 HydrophobicContact CD2-CB 4.4Å; Y1826-H2024 HydrophobicContact CE2-CB 4.22Å; Y1826-H2024 AromaticContact CE2-CG 4Å; Y1826-H2024 AromaticContact CE2-ND1 3.84Å; Y1826-H2024 AromaticContact CZ-ND1 3.93Å; Y1826-H2024 PolarHBondContact OH-CE1 3.16Å; Y1826-H2024 PolarHBondContact OH-ND1 3.43Å |
| 1827 | E | 92.4 | Very high | 91.1 | Very high | 47 Ų | 47 | 20.1 Ų | 20.1 | 22% | 0.22 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 176.3 | -63.2 | -72.8 | 172.4 | 0 | 0 | 111.3 | R1735 T1738 V1823 V1824 I1829 Q1830 T1831 | R1735-E1827 HydrophobicContact CG-CG 4.22Å; R1735-E1827 IonicContact NE-OE1 3.76Å; R1735-E1827 PolarHBondContact NE-OE1 3.5Å; R1735-E1827 VanDerWaalsContact NE-OE1 3.12Å; T1738-E1827 HydrophobicContact CG2-CB 4.37Å; V1823-E1827 HydrophobicContact CG1-CG 4.17Å; V1823-E1827 VanDerWaalsContact O-CG 3.31Å; V1823-E1827 WeakPolarHBondContact O-CG 3.49Å; V1823-E1827 PolarHBondContact O-N 3.24Å; V1824-E1827 PolarHBondContact O-N 3.36Å; E1827-I1829 VanDerWaalsContact C-N 3.35Å; E1827-I1829 PolarHBondContact O-N 3.25Å; E1827-Q1830 CarbonylContact O-C 3.59Å; E1827-Q1830 PolarHBondContact O-N 3.48Å; E1827-T1831 VanDerWaalsContact O-CB 3.31Å; E1827-T1831 WeakPolarHBondContact O-CB 3.48Å; E1827-T1831 PolarHBondContact O-N 2.66Å; E1827-T1831 PolarHBondContact O-OG1 3.35Å |
| 1828 | L | 94.3 | Very high | 91 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.2 | -38.1 | 174.7 | -73.6 | 171.6 | 0 | 0 | 0 | 112 | T1738 L1767 F1768 V1824 Q1825 Y1826 Q1830 T1831 V1832 | T1738-L1828 HydrophobicContact CG2-CD2 3.91Å; T1738-L1828 HydrophobicContact CG2-CG 4.15Å; L1767-L1828 HydrophobicContact CB-CD1 3.92Å; L1767-L1828 HydrophobicContact CB-CD2 4.27Å; L1767-L1828 HydrophobicContact CD1-CD2 4.2Å; F1768-L1828 HydrophobicContact CD1-CB 4.45Å; F1768-L1828 HydrophobicContact CD1-CD1 4.47Å; F1768-L1828 HydrophobicContact CD2-CB 4.43Å; F1768-L1828 HydrophobicContact CD2-CD1 4.5Å; F1768-L1828 HydrophobicContact CE1-CB 3.86Å; F1768-L1828 HydrophobicContact CE2-CB 3.83Å; F1768-L1828 HydrophobicContact CG-CD1 4.38Å; F1768-L1828 HydrophobicContact CZ-CB 3.53Å; V1824-L1828 HydrophobicContact CG1-CD1 3.97Å; V1824-L1828 HydrophobicContact CG1-CG 4.17Å; V1824-L1828 WeakPolarHBondContact O-CB 3.41Å; V1824-L1828 VanDerWaalsContact O-CG 3.25Å; V1824-L1828 WeakPolarHBondContact O-CG 3.27Å; V1824-L1828 PolarHBondContact O-N 3.44Å; Q1825-L1828 PolarHBondContact O-N 2.93Å; Y1826-L1828 VanDerWaalsContact C-N 3.31Å; Y1826-L1828 PolarHBondContact O-N 2.96Å; L1828-Q1830 VanDerWaalsContact C-N 3.35Å; L1828-T1831 WeakPolarHBondContact O-CB 3.4Å; L1828-T1831 PolarHBondContact O-N 3.47Å; L1828-V1832 WeakPolarHBondContact O-CG2 3.39Å; L1828-V1832 PolarHBondContact O-N 2.93Å |
| 1829 | I | 94.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 173.5 | -67.8 | 156.6 | 0 | 0 | 0 | 110.2 | F1768 Q1825 Y1826 E1827 T1831 V1832 D1833 L1985 Q2021 H2024 | F1768-I1829 HydrophobicContact CE1-CG1 3.83Å; F1768-I1829 HydrophobicContact CZ-CG1 4.01Å; Q1825-I1829 WeakPolarHBondContact O-CD1 3.2Å; Q1825-I1829 WeakPolarHBondContact O-CG1 3.45Å; Q1825-I1829 PolarHBondContact O-N 3.46Å; Q1825-I1829 VanDerWaalsContact O-N 3.13Å; Y1826-I1829 WeakPolarHBondContact O-CB 3.39Å; Y1826-I1829 PolarHBondContact O-N 3.36Å; E1827-I1829 VanDerWaalsContact C-N 3.35Å; E1827-I1829 PolarHBondContact O-N 3.25Å; I1829-T1831 VanDerWaalsContact C-N 3.29Å; I1829-T1831 PolarHBondContact O-N 2.78Å; I1829-V1832 PolarHBondContact O-N 3.08Å; I1829-D1833 WeakPolarHBondContact O-CB 3.45Å; I1829-D1833 PolarHBondContact O-N 2.99Å; I1829-L1985 HydrophobicContact CB-CD2 4.36Å; I1829-L1985 HydrophobicContact CG1-CD2 3.95Å; I1829-L1985 HydrophobicContact CG2-CD2 4.21Å; I1829-Q2021 HydrophobicContact CD1-CB 4.39Å; I1829-Q2021 HydrophobicContact CD1-CG 3.5Å; I1829-Q2021 VanDerWaalsContact CD1-CG 3.5Å; I1829-H2024 HydrophobicContact CG2-CB 4.05Å |
| 1830 | Q | 93.2 | Very high | 90.1 | Very high | 72 Ų | 72 | 21.1 Ų | 21.1 | 34% | 0.336 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -64 | -38.2 | 177.2 | -65.3 | -177.3 | -70 | 0 | 0 | 111.6 | Y1826 E1827 L1828 D1833 H1834 | Y1826-Q1830 VanDerWaalsContact CE1-CD 3.45Å; Y1826-Q1830 HydrophobicContact CE1-CG 4.2Å; Y1826-Q1830 VanDerWaalsContact CE1-OE1 3.25Å; Y1826-Q1830 WeakPolarHBondContact O-CG 3.13Å; Y1826-Q1830 PolarHBondContact O-N 2.83Å; E1827-Q1830 CarbonylContact O-C 3.59Å; E1827-Q1830 PolarHBondContact O-N 3.48Å; L1828-Q1830 VanDerWaalsContact C-N 3.35Å; Q1830-D1833 PolarHBondContact O-N 3.13Å; Q1830-H1834 VanDerWaalsContact O-CB 3.29Å; Q1830-H1834 WeakPolarHBondContact O-CB 3.36Å; Q1830-H1834 PolarHBondContact O-N 3.45Å |
| 1831 | T | 91.7 | Very high | 89.9 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.9 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | E1742 E1827 L1828 I1829 H1834 I1835 | E1742-T1831 HydrophobicContact CB-CG2 3.78Å; E1742-T1831 HydrophobicContact CG-CG2 4.27Å; E1827-T1831 VanDerWaalsContact O-CB 3.31Å; E1827-T1831 WeakPolarHBondContact O-CB 3.48Å; E1827-T1831 PolarHBondContact O-N 2.66Å; E1827-T1831 PolarHBondContact O-OG1 3.35Å; L1828-T1831 WeakPolarHBondContact O-CB 3.4Å; L1828-T1831 PolarHBondContact O-N 3.47Å; I1829-T1831 VanDerWaalsContact C-N 3.29Å; I1829-T1831 PolarHBondContact O-N 2.78Å; T1831-H1834 PolarHBondContact O-N 3.45Å; T1831-I1835 HydrophobicContact CG2-CD1 3.5Å; T1831-I1835 VanDerWaalsContact CG2-CD1 3.5Å; T1831-I1835 HydrophobicContact CG2-CG1 4.26Å; T1831-I1835 WeakPolarHBondContact O-CB 3.25Å; T1831-I1835 WeakPolarHBondContact O-CD1 3.3Å; T1831-I1835 WeakPolarHBondContact O-CG1 3.33Å; T1831-I1835 PolarHBondContact O-N 2.8Å |
| 1832 | V | 93.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | I1764 F1768 L1828 I1829 H1834 I1835 L1836 L1981 L1985 | I1764-V1832 HydrophobicContact CG2-CG2 3.76Å; F1768-V1832 HydrophobicContact CE2-CG2 3.82Å; F1768-V1832 HydrophobicContact CZ-CG2 4.33Å; L1828-V1832 WeakPolarHBondContact O-CG2 3.39Å; L1828-V1832 PolarHBondContact O-N 2.93Å; I1829-V1832 PolarHBondContact O-N 3.08Å; V1832-H1834 VanDerWaalsContact C-N 3.28Å; V1832-H1834 PolarHBondContact O-N 2.87Å; V1832-I1835 PolarHBondContact O-N 2.91Å; V1832-L1836 HydrophobicContact CG1-CD1 3.71Å; V1832-L1836 HydrophobicContact CG1-CG 4.28Å; V1832-L1836 WeakPolarHBondContact O-CB 3.44Å; V1832-L1836 VanDerWaalsContact O-CG 3.31Å; V1832-L1836 WeakPolarHBondContact O-CG 3.27Å; V1832-L1836 PolarHBondContact O-N 2.79Å; V1832-L1981 HydrophobicContact CG1-CD1 4.49Å; V1832-L1985 HydrophobicContact CG1-CD1 4.01Å |
| 1833 | D | 92.8 | Very high | 89.2 | Confident | 19 Ų | 19 | 25.5 Ų | 25.5 | 10% | 0.102 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 175.7 | -175.3 | 78.9 | 0 | 0 | 0 | 111 | I1829 Q1830 F1837 S1842 C2028 R2031 | I1829-D1833 WeakPolarHBondContact O-CB 3.45Å; I1829-D1833 PolarHBondContact O-N 2.99Å; Q1830-D1833 PolarHBondContact O-N 3.13Å; D1833-F1837 WeakPolarHBondContact O-CB 3.44Å; D1833-F1837 PolarHBondContact O-N 2.78Å; D1833-S1842 WeakPolarHBondContact OD2-CB 3.43Å; D1833-S1842 PolarHBondContact OD2-OG 3.45Å; D1833-C2028 HydrophobicContact CB-CB 4.39Å; D1833-R2031 IonicContact OD1-NH1 3.28Å; D1833-R2031 PolarHBondContact OD1-NH1 3.49Å; D1833-R2031 VanDerWaalsContact OD1-NH1 3.11Å |
| 1834 | H | 91.6 | Very high | 88.7 | Confident | 30 Ų | 30 | 28.9 Ų | 28.9 | 14% | 0.139 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.9 | -47.3 | 176.9 | -157.9 | 129.4 | 0 | 0 | 0 | 112.4 | E1742 L1746 Q1830 T1831 V1832 L1836 Y1838 S1839 | E1742-H1834 HydrophobicContact CG-CB 4.39Å; E1742-H1834 IonicContact OE1-CD2 3.72Å; E1742-H1834 PolarHBondContact OE1-CD2 3.25Å; E1742-H1834 IonicContact OE1-CE1 2.9Å; E1742-H1834 PolarHBondContact OE1-CE1 3.28Å; E1742-H1834 VanDerWaalsContact OE1-CE1 3.29Å; E1742-H1834 IonicContact OE1-CG 3.41Å; E1742-H1834 IonicContact OE1-ND1 3.65Å; E1742-H1834 PolarHBondContact OE1-ND1 2.95Å; E1742-H1834 IonicContact OE1-NE2 3.26Å; L1746-H1834 WeakPolarHBondContact CD1-CD2 3.45Å; Q1830-H1834 VanDerWaalsContact O-CB 3.29Å; Q1830-H1834 WeakPolarHBondContact O-CB 3.36Å; Q1830-H1834 PolarHBondContact O-N 3.45Å; T1831-H1834 PolarHBondContact O-N 3.45Å; V1832-H1834 VanDerWaalsContact C-N 3.28Å; V1832-H1834 PolarHBondContact O-N 2.87Å; H1834-L1836 VanDerWaalsContact C-N 3.31Å; H1834-L1836 PolarHBondContact O-N 3.28Å; H1834-Y1838 AromaticContact CD2-CD2 3.78Å; H1834-Y1838 AromaticContact NE2-CD2 3.25Å; H1834-Y1838 VanDerWaalsContact NE2-CD2 3.25Å; H1834-Y1838 WeakPolarHBondContact NE2-CD2 3.33Å; H1834-Y1838 AromaticContact NE2-CE2 3.35Å; H1834-Y1838 WeakPolarHBondContact NE2-CE2 3.35Å; H1834-Y1838 WeakPolarHBondContact O-CA 3.21Å; H1834-Y1838 PolarHBondContact O-N 2.92Å; H1834-S1839 PolarHBondContact ND1-OG 3.49Å |
| 1835 | I | 91.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.3 | -46.7 | 179.2 | -73.7 | 164.2 | 0 | 0 | 0 | 110.2 | I1745 W1757 I1764 T1831 V1832 M1969 | I1745-I1835 HydrophobicContact CB-CD1 4.16Å; I1745-I1835 HydrophobicContact CB-CG1 4.26Å; I1745-I1835 HydrophobicContact CD1-CD1 3.56Å; I1745-I1835 HydrophobicContact CG1-CD1 4.46Å; I1745-I1835 HydrophobicContact CG2-CB 4.49Å; I1745-I1835 HydrophobicContact CG2-CD1 4.1Å; I1745-I1835 HydrophobicContact CG2-CG1 4.01Å; I1745-I1835 HydrophobicContact CG2-CG2 3.68Å; W1757-I1835 HydrophobicContact CH2-CG2 4.45Å; I1764-I1835 HydrophobicContact CD1-CD1 4.28Å; T1831-I1835 HydrophobicContact CG2-CD1 3.5Å; T1831-I1835 VanDerWaalsContact CG2-CD1 3.5Å; T1831-I1835 HydrophobicContact CG2-CG1 4.26Å; T1831-I1835 WeakPolarHBondContact O-CB 3.25Å; T1831-I1835 WeakPolarHBondContact O-CD1 3.3Å; T1831-I1835 WeakPolarHBondContact O-CG1 3.33Å; T1831-I1835 PolarHBondContact O-N 2.8Å; V1832-I1835 PolarHBondContact O-N 2.91Å; I1835-M1969 HydrophobicContact CG2-CB 4.22Å; I1835-M1969 HydrophobicContact CG2-CG 4.45Å; I1835-M1969 VanDerWaalsContact O-CB 3.3Å; I1835-M1969 WeakPolarHBondContact O-CB 3.35Å; I1835-M1969 PolarHBondContact O-N 3.35Å |
| 1836 | L | 91.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -76.5 | -49.9 | -175.3 | -66 | 178.4 | 0 | 0 | 0 | 111.8 | V1832 H1834 G1968 M1969 Y1970 L1973 L1981 I2032 | V1832-L1836 HydrophobicContact CG1-CD1 3.71Å; V1832-L1836 HydrophobicContact CG1-CG 4.28Å; V1832-L1836 WeakPolarHBondContact O-CB 3.44Å; V1832-L1836 VanDerWaalsContact O-CG 3.31Å; V1832-L1836 WeakPolarHBondContact O-CG 3.27Å; V1832-L1836 PolarHBondContact O-N 2.79Å; H1834-L1836 VanDerWaalsContact C-N 3.31Å; H1834-L1836 PolarHBondContact O-N 3.28Å; L1836-G1968 CarbonylContact O-C 3.58Å; L1836-G1968 VanDerWaalsContact O-CA 3.24Å; L1836-G1968 WeakPolarHBondContact O-CA 3.44Å; L1836-M1969 PolarHBondContact O-N 3.05Å; L1836-Y1970 HydrophobicContact CB-CD2 4.31Å; L1836-Y1970 HydrophobicContact CD2-CD2 4.44Å; L1836-Y1970 VanDerWaalsContact O-CB 3.28Å; L1836-Y1970 WeakPolarHBondContact O-CB 3.37Å; L1836-Y1970 PolarHBondContact O-N 3.36Å; L1836-Y1970 VanDerWaalsContact O-N 3.11Å; L1836-L1973 HydrophobicContact CD2-CD1 4Å; L1836-L1973 HydrophobicContact CD2-CD2 3.76Å; L1836-L1973 HydrophobicContact CD2-CG 4.48Å; L1836-L1981 HydrophobicContact CD1-CD1 4.28Å; L1836-L1981 HydrophobicContact CD2-CD1 4.3Å; L1836-I2032 HydrophobicContact CD1-CD1 3.44Å; L1836-I2032 VanDerWaalsContact CD1-CD1 3.44Å; L1836-I2032 HydrophobicContact CD1-CG1 3.8Å |
| 1837 | F | 88.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.013 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -112.8 | -11.1 | -165.4 | -54.9 | -59.3 | 0 | 0 | 0 | 114.4 | D1833 H1841 Y1970 R2031 I2032 R2035 | D1833-F1837 WeakPolarHBondContact O-CB 3.44Å; D1833-F1837 PolarHBondContact O-N 2.78Å; F1837-H1841 WeakPolarHBondContact O-CB 3.46Å; F1837-Y1970 HydrophobicContact CD1-CD2 4.16Å; F1837-Y1970 AromaticContact CE1-CD2 3.31Å; F1837-Y1970 HydrophobicContact CE1-CD2 3.31Å; F1837-Y1970 AromaticContact CE1-CE2 3.69Å; F1837-Y1970 HydrophobicContact CE1-CE2 3.69Å; F1837-Y1970 HydrophobicContact CE1-CG 4.02Å; F1837-Y1970 AromaticContact CZ-CD2 3.79Å; F1837-Y1970 HydrophobicContact CZ-CD2 3.79Å; F1837-Y1970 AromaticContact CZ-CE2 3.89Å; F1837-Y1970 HydrophobicContact CZ-CE2 3.89Å; F1837-R2031 HydrophobicContact CE2-CB 3.84Å; F1837-R2031 HydrophobicContact CZ-CB 3.76Å; F1837-I2032 HydrophobicContact CE2-CG1 3.96Å; F1837-I2032 HydrophobicContact CZ-CG1 3.67Å; F1837-R2035 VanDerWaalsContact CD1-NH1 3.33Å |
| 1838 | Y | 84.6 | Confident | 87.1 | Confident | 63 Ų | 63 | 33.5 Ų | 33.5 | 25% | 0.247 | 16% | 0.163 | C | C | . | . | trans | 61.9 | 104.8 | -165.6 | -166.3 | -107.6 | 0 | 0 | 0 | 110.7 | H1834 A1840 H1841 R1967 | H1834-Y1838 AromaticContact CD2-CD2 3.78Å; H1834-Y1838 AromaticContact NE2-CD2 3.25Å; H1834-Y1838 VanDerWaalsContact NE2-CD2 3.25Å; H1834-Y1838 WeakPolarHBondContact NE2-CD2 3.33Å; H1834-Y1838 AromaticContact NE2-CE2 3.35Å; H1834-Y1838 WeakPolarHBondContact NE2-CE2 3.35Å; H1834-Y1838 WeakPolarHBondContact O-CA 3.21Å; H1834-Y1838 PolarHBondContact O-N 2.92Å; Y1838-A1840 HydrophobicContact CD1-CB 4.11Å; Y1838-A1840 HydrophobicContact CE1-CB 4.04Å; Y1838-A1840 PolarHBondContact O-N 2.88Å; Y1838-H1841 WeakPolarHBondContact O-CA 3.09Å; Y1838-H1841 VanDerWaalsContact O-CB 3.31Å; Y1838-H1841 WeakPolarHBondContact O-CB 3.47Å; Y1838-H1841 PolarHBondContact O-N 2.83Å; Y1838-R1967 HydrophobicContact CD2-CB 3.95Å; Y1838-R1967 VanDerWaalsContact CE1-NH1 3.35Å; Y1838-R1967 HydrophobicContact CE2-CB 4.38Å; Y1838-R1967 HydrophobicContact CG-CB 4.04Å; Y1838-R1967 PolarHBondContact OH-NH1 3.33Å | ||
| 1839 | S | 78.3 | Confident | 86.6 | Confident | 23 Ų | 23 | 33.5 Ų | 33.5 | 16% | 0.161 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -17 | -159.4 | 73 | 0 | 0 | 0 | 0 | 115.8 | H1834 S1842 R1843 | H1834-S1839 PolarHBondContact ND1-OG 3.49Å; S1839-S1842 WeakPolarHBondContact CA-OG 3.07Å; S1839-S1842 PolarHBondContact O-OG 3.38Å; S1839-S1842 VanDerWaalsContact O-OG 3.04Å; S1839-R1843 WeakPolarHBondContact O-CB 3.34Å; S1839-R1843 VanDerWaalsContact O-CG 3.28Å; S1839-R1843 WeakPolarHBondContact O-CG 3.47Å; S1839-R1843 PolarHBondContact O-N 2.58Å; S1839-R1843 PolarHBondContact O-NE 3.11Å; S1839-R1843 PolarHBondContact OG-NH2 3.5Å |
| 1840 | A | 78.1 | Confident | 86 | Confident | 31 Ų | 31 | 35.5 Ų | 35.5 | 26% | 0.256 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67.7 | -38.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1838 N1844 | Y1838-A1840 HydrophobicContact CD1-CB 4.11Å; Y1838-A1840 HydrophobicContact CE1-CB 4.04Å; Y1838-A1840 PolarHBondContact O-N 2.88Å; A1840-N1844 VanDerWaalsContact O-CB 3.27Å; A1840-N1844 WeakPolarHBondContact O-CB 3.5Å; A1840-N1844 PolarHBondContact O-N 3.34Å; A1840-N1844 PolarHBondContact O-ND2 3.33Å; A1840-N1844 PolarHBondContact O-OD1 3.15Å |
| 1841 | H | 80.3 | Confident | 85.4 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.8 | -44.6 | 177.6 | 177.1 | 78.2 | 0 | 0 | 0 | 111.8 | F1837 Y1838 R1843 N1844 E1845 P1963 D1965 | F1837-H1841 WeakPolarHBondContact O-CB 3.46Å; Y1838-H1841 WeakPolarHBondContact O-CA 3.09Å; Y1838-H1841 VanDerWaalsContact O-CB 3.31Å; Y1838-H1841 WeakPolarHBondContact O-CB 3.47Å; Y1838-H1841 PolarHBondContact O-N 2.83Å; H1841-R1843 PolarHBondContact O-N 3.32Å; H1841-N1844 PolarHBondContact O-N 3.4Å; H1841-E1845 VanDerWaalsContact O-CB 3.25Å; H1841-E1845 WeakPolarHBondContact O-CB 3.19Å; H1841-E1845 PolarHBondContact O-N 2.8Å; H1841-P1963 PolarHBondContact CE1-O 2.79Å; H1841-D1965 HydrophobicContact CB-CB 3.89Å |
| 1842 | S | 84.8 | Confident | 84.8 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 175.8 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | D1833 S1839 E1845 D1846 R2031 | D1833-S1842 WeakPolarHBondContact OD2-CB 3.43Å; D1833-S1842 PolarHBondContact OD2-OG 3.45Å; S1839-S1842 WeakPolarHBondContact CA-OG 3.07Å; S1839-S1842 PolarHBondContact O-OG 3.38Å; S1839-S1842 VanDerWaalsContact O-OG 3.04Å; S1842-E1845 WeakPolarHBondContact O-CB 3.44Å; S1842-E1845 PolarHBondContact O-N 3.2Å; S1842-D1846 PolarHBondContact O-N 3.03Å; S1842-R2031 PolarHBondContact O-NH2 3.3Å |
| 1843 | R | 83.3 | Confident | 84.3 | Confident | 145 Ų | 145 | 38.8 Ų | 38.8 | 55% | 0.547 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 173.7 | -74.9 | -179.7 | -71.6 | 164.9 | -5.6 | 112.5 | S1839 H1841 E1845 D1846 I1847 | S1839-R1843 WeakPolarHBondContact O-CB 3.34Å; S1839-R1843 VanDerWaalsContact O-CG 3.28Å; S1839-R1843 WeakPolarHBondContact O-CG 3.47Å; S1839-R1843 PolarHBondContact O-N 2.58Å; S1839-R1843 PolarHBondContact O-NE 3.11Å; S1839-R1843 PolarHBondContact OG-NH2 3.5Å; H1841-R1843 PolarHBondContact O-N 3.32Å; R1843-E1845 VanDerWaalsContact C-N 3.28Å; R1843-E1845 PolarHBondContact O-N 2.86Å; R1843-D1846 PolarHBondContact O-N 3.41Å; R1843-I1847 WeakPolarHBondContact O-CB 3.27Å; R1843-I1847 WeakPolarHBondContact O-CD1 3.46Å; R1843-I1847 WeakPolarHBondContact O-CG1 3.48Å; R1843-I1847 PolarHBondContact O-N 2.93Å |
| 1844 | N | 80.9 | Confident | 83.7 | Confident | 95 Ų | 95 | 43.7 Ų | 43.7 | 51% | 0.508 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.4 | -35.4 | 175.3 | -73.9 | -15.8 | 0 | 0 | 0 | 111.5 | A1840 H1841 I1847 H1848 | A1840-N1844 VanDerWaalsContact O-CB 3.27Å; A1840-N1844 WeakPolarHBondContact O-CB 3.5Å; A1840-N1844 PolarHBondContact O-N 3.34Å; A1840-N1844 PolarHBondContact O-ND2 3.33Å; A1840-N1844 PolarHBondContact O-OD1 3.15Å; H1841-N1844 PolarHBondContact O-N 3.4Å; N1844-I1847 PolarHBondContact O-N 3Å; N1844-H1848 WeakPolarHBondContact O-CB 3.39Å; N1844-H1848 PolarHBondContact O-N 3.38Å |
| 1845 | E | 82.3 | Confident | 83.2 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 174.2 | -177.7 | 173.2 | -151.3 | 0 | 0 | 111.2 | H1841 S1842 R1843 H1848 Y1849 L1962 R2031 R2035 | H1841-E1845 VanDerWaalsContact O-CB 3.25Å; H1841-E1845 WeakPolarHBondContact O-CB 3.19Å; H1841-E1845 PolarHBondContact O-N 2.8Å; S1842-E1845 WeakPolarHBondContact O-CB 3.44Å; S1842-E1845 PolarHBondContact O-N 3.2Å; R1843-E1845 VanDerWaalsContact C-N 3.28Å; R1843-E1845 PolarHBondContact O-N 2.86Å; E1845-H1848 WeakPolarHBondContact O-CB 3.43Å; E1845-H1848 PolarHBondContact O-N 3.17Å; E1845-Y1849 HydrophobicContact CG-CD2 3.75Å; E1845-Y1849 HydrophobicContact CG-CE2 3.15Å; E1845-Y1849 VanDerWaalsContact O-CD2 3.24Å; E1845-Y1849 WeakPolarHBondContact O-CD2 3.29Å; E1845-Y1849 PolarHBondContact O-N 2.96Å; E1845-Y1849 WeakPolarHBondContact OE1-CE2 3.37Å; E1845-Y1849 PolarHBondContact OE1-OH 2.99Å; E1845-L1962 HydrophobicContact CB-CD1 3.89Å; E1845-L1962 HydrophobicContact CG-CD1 4.35Å; E1845-R2031 IonicContact OE2-NE 3.91Å; E1845-R2035 IonicContact OE1-NH2 3.58Å; E1845-R2035 IonicContact OE2-NH2 2.67Å; E1845-R2035 PolarHBondContact OE2-NH2 3.27Å; E1845-R2035 VanDerWaalsContact OE2-NH2 3.15Å |
| 1846 | D | 84.6 | Confident | 82.6 | Confident | 34 Ų | 34 | 49.6 Ų | 49.6 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 173.5 | -70.2 | -27.9 | 0 | 0 | 0 | 112.7 | S1842 R1843 H1848 Y1849 L1850 L2027 R2031 | S1842-D1846 PolarHBondContact O-N 3.03Å; R1843-D1846 PolarHBondContact O-N 3.41Å; D1846-H1848 VanDerWaalsContact C-N 3.28Å; D1846-H1848 PolarHBondContact O-N 3.34Å; D1846-Y1849 PolarHBondContact O-N 3.25Å; D1846-L1850 WeakPolarHBondContact O-CB 3.39Å; D1846-L1850 PolarHBondContact O-N 3.13Å; D1846-L2027 WeakPolarHBondContact OD2-CD2 3.4Å; D1846-R2031 IonicContact OD1-CZ 3.76Å; D1846-R2031 IonicContact OD1-NH2 3.74Å; D1846-R2031 PolarHBondContact OD1-NH2 3.27Å; D1846-R2031 IonicContact OD2-CZ 3.69Å; D1846-R2031 IonicContact OD2-NH2 2.82Å; D1846-R2031 PolarHBondContact OD2-NH2 3.42Å |
| 1847 | I | 84.2 | Confident | 82 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 44% | 0.441 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 177.3 | -72.1 | 167.5 | 0 | 0 | 0 | 109.2 | R1843 N1844 L1850 H1851 | R1843-I1847 WeakPolarHBondContact O-CB 3.27Å; R1843-I1847 WeakPolarHBondContact O-CD1 3.46Å; R1843-I1847 WeakPolarHBondContact O-CG1 3.48Å; R1843-I1847 PolarHBondContact O-N 2.93Å; N1844-I1847 PolarHBondContact O-N 3Å; I1847-L1850 PolarHBondContact O-N 3.47Å; I1847-H1851 VanDerWaalsContact CG2-CD2 3.41Å; I1847-H1851 WeakPolarHBondContact CG2-CD2 3.34Å; I1847-H1851 WeakPolarHBondContact O-CB 3.46Å; I1847-H1851 PolarHBondContact O-CD2 3.04Å; I1847-H1851 PolarHBondContact O-N 3.05Å |
| 1848 | H | 83.6 | Confident | 81.4 | Confident | 63 Ų | 63 | 55 Ų | 55 | 29% | 0.292 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -52.3 | 178.4 | 178.7 | -106.3 | 0 | 0 | 0 | 112 | N1844 E1845 D1846 L1850 H1851 E1852 A1959 L1962 | N1844-H1848 WeakPolarHBondContact O-CB 3.39Å; N1844-H1848 PolarHBondContact O-N 3.38Å; E1845-H1848 WeakPolarHBondContact O-CB 3.43Å; E1845-H1848 PolarHBondContact O-N 3.17Å; D1846-H1848 VanDerWaalsContact C-N 3.28Å; D1846-H1848 PolarHBondContact O-N 3.34Å; H1848-L1850 VanDerWaalsContact C-N 3.32Å; H1848-L1850 PolarHBondContact O-N 3.5Å; H1848-H1851 PolarHBondContact O-N 3.39Å; H1848-E1852 WeakPolarHBondContact O-CB 3.46Å; H1848-E1852 PolarHBondContact O-N 2.96Å; H1848-A1959 VanDerWaalsContact CE1-CB 3.41Å; H1848-A1959 WeakPolarHBondContact CE1-CB 3.15Å; H1848-L1962 HydrophobicContact CB-CD1 4.13Å |
| 1849 | Y | 84.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.9 | -36.4 | 178.3 | -64.2 | -44.1 | 0 | 0 | 0 | 112.2 | E1845 D1846 E1852 A1853 A1959 L2080 T2083 Q2084 | E1845-Y1849 HydrophobicContact CG-CD2 3.75Å; E1845-Y1849 HydrophobicContact CG-CE2 3.15Å; E1845-Y1849 VanDerWaalsContact O-CD2 3.24Å; E1845-Y1849 WeakPolarHBondContact O-CD2 3.29Å; E1845-Y1849 PolarHBondContact O-N 2.96Å; E1845-Y1849 WeakPolarHBondContact OE1-CE2 3.37Å; E1845-Y1849 PolarHBondContact OE1-OH 2.99Å; D1846-Y1849 PolarHBondContact O-N 3.25Å; Y1849-E1852 PolarHBondContact O-N 2.77Å; Y1849-A1853 VanDerWaalsContact O-CB 3.27Å; Y1849-A1853 WeakPolarHBondContact O-CB 3.45Å; Y1849-A1853 PolarHBondContact O-N 3.34Å; Y1849-A1959 HydrophobicContact CD1-CB 4.12Å; Y1849-A1959 HydrophobicContact CE1-CB 4.15Å; Y1849-L2080 HydrophobicContact CD2-CD1 3.7Å; Y1849-L2080 HydrophobicContact CE2-CD1 3.56Å; Y1849-T2083 HydrophobicContact CD1-CG2 3.67Å; Y1849-T2083 HydrophobicContact CE1-CG2 4.04Å; Y1849-T2083 HydrophobicContact CG-CG2 4.29Å; Y1849-Q2084 PolarHBondContact OH-NE2 3.47Å |
| 1850 | L | 83.3 | Confident | 80.1 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 176.2 | -171.9 | 67.6 | 0 | 0 | 0 | 112.2 | D1846 I1847 H1848 E1852 A1853 R1854 V2079 Q2118 | D1846-L1850 WeakPolarHBondContact O-CB 3.39Å; D1846-L1850 PolarHBondContact O-N 3.13Å; I1847-L1850 PolarHBondContact O-N 3.47Å; H1848-L1850 VanDerWaalsContact C-N 3.32Å; H1848-L1850 PolarHBondContact O-N 3.5Å; L1850-E1852 VanDerWaalsContact C-N 3.34Å; L1850-A1853 PolarHBondContact O-N 2.91Å; L1850-R1854 WeakPolarHBondContact O-CB 3.26Å; L1850-R1854 VanDerWaalsContact O-CG 3.31Å; L1850-R1854 WeakPolarHBondContact O-CG 3.18Å; L1850-R1854 PolarHBondContact O-N 3.24Å; L1850-V2079 HydrophobicContact CD1-CG2 4.04Å; L1850-Q2118 HydrophobicContact CD1-CG 4.39Å |
| 1851 | H | 79.8 | Confident | 79.1 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 173.8 | -86.8 | -73.1 | 0 | 0 | 0 | 111.7 | I1847 H1848 R1854 R1855 | I1847-H1851 VanDerWaalsContact CG2-CD2 3.41Å; I1847-H1851 WeakPolarHBondContact CG2-CD2 3.34Å; I1847-H1851 WeakPolarHBondContact O-CB 3.46Å; I1847-H1851 PolarHBondContact O-CD2 3.04Å; I1847-H1851 PolarHBondContact O-N 3.05Å; H1848-H1851 PolarHBondContact O-N 3.39Å; H1851-R1854 WeakPolarHBondContact O-CB 3.41Å; H1851-R1854 PolarHBondContact O-N 2.94Å; H1851-R1855 WeakPolarHBondContact O-CB 3.29Å; H1851-R1855 PolarHBondContact O-N 2.9Å |
| 1852 | E | 79.7 | Confident | 78 | Confident | 31 Ų | 31 | 64.1 Ų | 64.1 | 15% | 0.145 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 176.6 | -176.8 | 62.8 | -176.2 | 0 | 0 | 111.4 | H1848 Y1849 L1850 R1854 R1855 L1856 A1959 | H1848-E1852 WeakPolarHBondContact O-CB 3.46Å; H1848-E1852 PolarHBondContact O-N 2.96Å; Y1849-E1852 PolarHBondContact O-N 2.77Å; L1850-E1852 VanDerWaalsContact C-N 3.34Å; E1852-R1854 VanDerWaalsContact C-N 3.3Å; E1852-R1854 PolarHBondContact O-N 3.36Å; E1852-R1855 WeakPolarHBondContact O-CB 3.44Å; E1852-R1855 PolarHBondContact O-N 3Å; E1852-R1855 VanDerWaalsContact O-N 3.13Å; E1852-R1855 IonicContact OE1-CZ 2.76Å; E1852-R1855 IonicContact OE1-NE 3.68Å; E1852-R1855 PolarHBondContact OE1-NE 3.24Å; E1852-R1855 IonicContact OE1-NH2 3.55Å; E1852-R1855 PolarHBondContact OE1-NH2 3.05Å; E1852-R1855 IonicContact OE2-CZ 3.86Å; E1852-R1855 IonicContact OE2-NE 2.74Å; E1852-R1855 PolarHBondContact OE2-NE 2.94Å; E1852-R1855 IonicContact OE2-NH2 2.64Å; E1852-L1856 WeakPolarHBondContact O-CG 3.43Å; E1852-L1856 PolarHBondContact O-N 3.41Å; E1852-A1959 HydrophobicContact CB-CB 4.36Å; E1852-A1959 HydrophobicContact CG-CB 3.96Å |
| 1853 | A | 82.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1849 L1850 L1856 A1857 V2079 Q2118 L2122 | Y1849-A1853 VanDerWaalsContact O-CB 3.27Å; Y1849-A1853 WeakPolarHBondContact O-CB 3.45Å; Y1849-A1853 PolarHBondContact O-N 3.34Å; L1850-A1853 PolarHBondContact O-N 2.91Å; A1853-L1856 PolarHBondContact O-N 3.23Å; A1853-A1857 WeakPolarHBondContact O-CB 3.12Å; A1853-A1857 PolarHBondContact O-N 3.43Å; A1853-V2079 HydrophobicContact CB-CG1 4.14Å; A1853-V2079 HydrophobicContact CB-CG2 4.22Å; A1853-Q2118 HydrophobicContact CB-CB 3.84Å; A1853-Q2118 HydrophobicContact CB-CG 4.47Å; A1853-L2122 HydrophobicContact CB-CD1 3.65Å; A1853-L2122 HydrophobicContact CB-CD2 4.4Å; A1853-L2122 HydrophobicContact CB-CG 3.92Å |
| 1854 | R | 81.6 | Confident | 75 | Confident | 123 Ų | 123 | 65 Ų | 65 | 46% | 0.464 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 171 | -81.1 | 178.9 | 179.2 | -175 | 0.7 | 111.8 | L1850 H1851 E1852 L1856 A1857 V1858 Q2118 | L1850-R1854 WeakPolarHBondContact O-CB 3.26Å; L1850-R1854 VanDerWaalsContact O-CG 3.31Å; L1850-R1854 WeakPolarHBondContact O-CG 3.18Å; L1850-R1854 PolarHBondContact O-N 3.24Å; H1851-R1854 WeakPolarHBondContact O-CB 3.41Å; H1851-R1854 PolarHBondContact O-N 2.94Å; E1852-R1854 VanDerWaalsContact C-N 3.3Å; E1852-R1854 PolarHBondContact O-N 3.36Å; R1854-L1856 VanDerWaalsContact C-N 3.33Å; R1854-L1856 PolarHBondContact O-N 3.44Å; R1854-A1857 WeakPolarHBondContact O-CB 3.47Å; R1854-A1857 PolarHBondContact O-N 3.28Å; R1854-V1858 WeakPolarHBondContact O-CG2 3.44Å; R1854-V1858 PolarHBondContact O-N 3.15Å; R1854-Q2118 HydrophobicContact CB-CG 4.27Å; R1854-Q2118 HydrophobicContact CG-CG 3.39Å |
| 1855 | R | 80.6 | Confident | 73.6 | Confident | 142 Ų | 142 | 65.8 Ų | 65.8 | 54% | 0.536 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 177.3 | -169.9 | -174.1 | 72.6 | 83.9 | 0.1 | 110.9 | H1851 E1852 V1858 A1859 | H1851-R1855 WeakPolarHBondContact O-CB 3.29Å; H1851-R1855 PolarHBondContact O-N 2.9Å; E1852-R1855 WeakPolarHBondContact O-CB 3.44Å; E1852-R1855 PolarHBondContact O-N 3Å; E1852-R1855 VanDerWaalsContact O-N 3.13Å; E1852-R1855 IonicContact OE1-CZ 2.76Å; E1852-R1855 IonicContact OE1-NE 3.68Å; E1852-R1855 PolarHBondContact OE1-NE 3.24Å; E1852-R1855 IonicContact OE1-NH2 3.55Å; E1852-R1855 PolarHBondContact OE1-NH2 3.05Å; E1852-R1855 IonicContact OE2-CZ 3.86Å; E1852-R1855 IonicContact OE2-NE 2.74Å; E1852-R1855 PolarHBondContact OE2-NE 2.94Å; E1852-R1855 IonicContact OE2-NH2 2.64Å; R1855-V1858 PolarHBondContact O-N 3.24Å; R1855-A1859 VanDerWaalsContact O-CB 3.25Å; R1855-A1859 WeakPolarHBondContact O-CB 3.43Å; R1855-A1859 PolarHBondContact O-N 3.1Å |
| 1856 | L | 78.8 | Confident | 72.2 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 175 | -73.6 | 169.4 | 0 | 0 | 0 | 112.3 | E1852 A1853 R1854 A1859 S1860 A2121 L2122 V2125 | E1852-L1856 WeakPolarHBondContact O-CG 3.43Å; E1852-L1856 PolarHBondContact O-N 3.41Å; A1853-L1856 PolarHBondContact O-N 3.23Å; R1854-L1856 VanDerWaalsContact C-N 3.33Å; R1854-L1856 PolarHBondContact O-N 3.44Å; L1856-A1859 PolarHBondContact O-N 3.47Å; L1856-S1860 WeakPolarHBondContact O-CB 3.34Å; L1856-S1860 PolarHBondContact O-N 2.7Å; L1856-S1860 PolarHBondContact O-OG 2.87Å; L1856-A2121 HydrophobicContact CB-CB 4Å; L1856-L2122 HydrophobicContact CD1-CD2 3.66Å; L1856-V2125 HydrophobicContact CD1-CG2 4.47Å; L1856-V2125 HydrophobicContact CD2-CG2 4.39Å |
| 1857 | A | 78.5 | Confident | 70.6 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1853 R1854 S1860 Y1861 P2117 A2121 | A1853-A1857 WeakPolarHBondContact O-CB 3.12Å; A1853-A1857 PolarHBondContact O-N 3.43Å; R1854-A1857 WeakPolarHBondContact O-CB 3.47Å; R1854-A1857 PolarHBondContact O-N 3.28Å; A1857-S1860 PolarHBondContact O-N 2.69Å; A1857-Y1861 PolarHBondContact O-N 2.79Å; A1857-P2117 HydrophobicContact CB-CB 4.09Å; A1857-P2117 VanDerWaalsContact CB-O 3.28Å; A1857-P2117 WeakPolarHBondContact CB-O 3.36Å; A1857-A2121 VanDerWaalsContact CA-CB 3.46Å; A1857-A2121 HydrophobicContact CB-CB 3.81Å |
| 1858 | V | 75.2 | Confident | 68.9 | Low | 106 Ų | 106 | 71.3 Ų | 71.3 | 64% | 0.642 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64 | -43.7 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | R1854 R1855 S1860 Y1861 P1862 | R1854-V1858 WeakPolarHBondContact O-CG2 3.44Å; R1854-V1858 PolarHBondContact O-N 3.15Å; R1855-V1858 PolarHBondContact O-N 3.24Å; V1858-S1860 VanDerWaalsContact C-N 3.3Å; V1858-S1860 PolarHBondContact O-N 3.22Å; V1858-Y1861 WeakPolarHBondContact O-CB 3.43Å; V1858-Y1861 PolarHBondContact O-N 2.89Å; V1858-Y1861 VanDerWaalsContact O-N 3.16Å; V1858-P1862 WeakPolarHBondContact O-CD 3.24Å |
| 1859 | A | 68.6 | Low | 67.2 | Low | 57 Ų | 57 | 73.6 Ų | 73.6 | 47% | 0.471 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.8 | -29.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1855 L1856 Y1861 P1862 | R1855-A1859 VanDerWaalsContact O-CB 3.25Å; R1855-A1859 WeakPolarHBondContact O-CB 3.43Å; R1855-A1859 PolarHBondContact O-N 3.1Å; L1856-A1859 PolarHBondContact O-N 3.47Å; A1859-Y1861 VanDerWaalsContact C-N 3.27Å; A1859-Y1861 PolarHBondContact O-N 2.94Å; A1859-P1862 WeakPolarHBondContact O-CD 3.4Å |
| 1860 | S | 66.6 | Low | 65.6 | Low | 26 Ų | 26 | 76.2 Ų | 76.2 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.8 | -20.8 | 174.6 | -65.7 | 0 | 0 | 0 | 0 | 112.6 | L1856 A1857 V1858 A1863 F1864 | L1856-S1860 WeakPolarHBondContact O-CB 3.34Å; L1856-S1860 PolarHBondContact O-N 2.7Å; L1856-S1860 PolarHBondContact O-OG 2.87Å; A1857-S1860 PolarHBondContact O-N 2.69Å; V1858-S1860 VanDerWaalsContact C-N 3.3Å; V1858-S1860 PolarHBondContact O-N 3.22Å; S1860-A1863 PolarHBondContact O-N 3.31Å; S1860-F1864 VanDerWaalsContact O-CB 3.29Å; S1860-F1864 WeakPolarHBondContact O-CB 3.46Å; S1860-F1864 PolarHBondContact O-N 3.08Å |
| 1861 | Y | 58 | Low | 63.9 | Low | 171 Ų | 171 | 77.8 Ų | 77.8 | 67% | 0.671 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.9 | -46.3 | -175.2 | -139.7 | -93.4 | 0 | 0 | 0 | 113 | A1857 V1858 A1859 A1863 F1864 E1865 | A1857-Y1861 PolarHBondContact O-N 2.79Å; V1858-Y1861 WeakPolarHBondContact O-CB 3.43Å; V1858-Y1861 PolarHBondContact O-N 2.89Å; V1858-Y1861 VanDerWaalsContact O-N 3.16Å; A1859-Y1861 VanDerWaalsContact C-N 3.27Å; A1859-Y1861 PolarHBondContact O-N 2.94Å; Y1861-A1863 VanDerWaalsContact C-N 3.34Å; Y1861-A1863 PolarHBondContact O-N 2.7Å; Y1861-F1864 PolarHBondContact O-N 3.41Å; Y1861-E1865 WeakPolarHBondContact O-CB 3.43Å; Y1861-E1865 PolarHBondContact O-N 2.92Å |
| 1862 | P | 57.1 | Low | 62.2 | Low | 73 Ų | 73 | 76.8 Ų | 76.8 | 47% | 0.474 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 170.3 | -21.5 | 31.2 | 0 | 0 | 0 | 112.4 | V1858 A1859 F1864 E1865 V1866 | V1858-P1862 WeakPolarHBondContact O-CD 3.24Å; A1859-P1862 WeakPolarHBondContact O-CD 3.4Å; P1862-F1864 VanDerWaalsContact C-N 3.29Å; P1862-F1864 PolarHBondContact O-N 3.44Å; P1862-E1865 PolarHBondContact O-N 3.44Å; P1862-V1866 VanDerWaalsContact O-CB 3.31Å; P1862-V1866 WeakPolarHBondContact O-CB 3.32Å; P1862-V1866 WeakPolarHBondContact O-CG2 3.36Å; P1862-V1866 PolarHBondContact O-N 2.9Å |
| 1863 | A | 53.5 | Low | 60.4 | Low | 42 Ų | 42 | 79.8 Ų | 79.8 | 35% | 0.347 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.8 | -33.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1860 Y1861 A1867 | S1860-A1863 PolarHBondContact O-N 3.31Å; Y1861-A1863 VanDerWaalsContact C-N 3.34Å; Y1861-A1863 PolarHBondContact O-N 2.7Å; A1863-A1867 WeakPolarHBondContact O-CB 3.44Å; A1863-A1867 PolarHBondContact O-N 3.4Å |
| 1864 | F | 52.5 | Low | 58.2 | Low | 122 Ų | 122 | 84.3 Ų | 84.3 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.5 | -41.8 | 172.2 | -177.5 | -96.4 | 0 | 0 | 0 | 111.2 | S1860 Y1861 P1862 A1867 L1868 | S1860-F1864 VanDerWaalsContact O-CB 3.29Å; S1860-F1864 WeakPolarHBondContact O-CB 3.46Å; S1860-F1864 PolarHBondContact O-N 3.08Å; Y1861-F1864 PolarHBondContact O-N 3.41Å; P1862-F1864 VanDerWaalsContact C-N 3.29Å; P1862-F1864 PolarHBondContact O-N 3.44Å; F1864-A1867 PolarHBondContact O-N 3.42Å; F1864-L1868 HydrophobicContact CE1-CD2 4.43Å; F1864-L1868 WeakPolarHBondContact O-CB 3.41Å; F1864-L1868 PolarHBondContact O-N 2.91Å |
| 1865 | E | 50.3 | Low | 55.9 | Low | 112 Ų | 112 | 85.5 Ų | 85.5 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 176.1 | -157.5 | -167.6 | -162.2 | 0 | 0 | 111.7 | Y1861 P1862 L1868 Q1869 | Y1861-E1865 WeakPolarHBondContact O-CB 3.43Å; Y1861-E1865 PolarHBondContact O-N 2.92Å; P1862-E1865 PolarHBondContact O-N 3.44Å; E1865-L1868 CarbonylContact O-C 3.56Å; E1865-L1868 PolarHBondContact O-N 3.29Å; E1865-Q1869 VanDerWaalsContact O-CB 3.26Å; E1865-Q1869 WeakPolarHBondContact O-CB 3.16Å; E1865-Q1869 PolarHBondContact O-N 2.82Å |
| 1866 | V | 53.7 | Low | 53.4 | Low | 89 Ų | 89 | 86.6 Ų | 86.6 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.4 | -39.2 | 173.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | P1862 L1868 Q1869 A1870 | P1862-V1866 VanDerWaalsContact O-CB 3.31Å; P1862-V1866 WeakPolarHBondContact O-CB 3.32Å; P1862-V1866 WeakPolarHBondContact O-CG2 3.36Å; P1862-V1866 PolarHBondContact O-N 2.9Å; V1866-L1868 VanDerWaalsContact C-N 3.32Å; V1866-Q1869 PolarHBondContact O-N 3.06Å; V1866-A1870 WeakPolarHBondContact O-CB 3.4Å; V1866-A1870 PolarHBondContact O-N 3Å |
| 1867 | A | 51.7 | Low | 51.1 | Low | 58 Ų | 58 | 91.2 Ų | 91.2 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1863 F1864 A1871 | A1863-A1867 WeakPolarHBondContact O-CB 3.44Å; A1863-A1867 PolarHBondContact O-N 3.4Å; F1864-A1867 PolarHBondContact O-N 3.42Å; A1867-A1871 WeakPolarHBondContact O-CB 3.33Å; A1867-A1871 PolarHBondContact O-N 3.41Å |
| 1868 | L | 47.5 | Very low | 48.7 | Very low | 94 Ų | 94 | 96.4 Ų | 96.4 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.6 | -38.5 | 174.6 | -166.9 | 70.3 | 0 | 0 | 0 | 111.4 | F1864 E1865 V1866 T1872 | F1864-L1868 HydrophobicContact CE1-CD2 4.43Å; F1864-L1868 WeakPolarHBondContact O-CB 3.41Å; F1864-L1868 PolarHBondContact O-N 2.91Å; E1865-L1868 CarbonylContact O-C 3.56Å; E1865-L1868 PolarHBondContact O-N 3.29Å; V1866-L1868 VanDerWaalsContact C-N 3.32Å; L1868-T1872 WeakPolarHBondContact O-CB 3.3Å; L1868-T1872 WeakPolarHBondContact O-CG2 3.47Å; L1868-T1872 PolarHBondContact O-N 2.86Å; L1868-T1872 PolarHBondContact O-OG1 2.57Å |
| 1869 | Q | 47.7 | Very low | 46.4 | Very low | 111 Ų | 111 | 98.2 Ų | 98.2 | 52% | 0.519 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.5 | -45.1 | 173 | -91 | -177.9 | -8.1 | 0 | 0 | 111.4 | E1865 V1866 A1871 T1872 S1873 | E1865-Q1869 VanDerWaalsContact O-CB 3.26Å; E1865-Q1869 WeakPolarHBondContact O-CB 3.16Å; E1865-Q1869 PolarHBondContact O-N 2.82Å; V1866-Q1869 PolarHBondContact O-N 3.06Å; Q1869-A1871 VanDerWaalsContact C-N 3.31Å; Q1869-A1871 PolarHBondContact O-N 3.46Å; Q1869-T1872 VanDerWaalsContact CA-OG1 3.27Å; Q1869-T1872 WeakPolarHBondContact CA-OG1 3.15Å; Q1869-T1872 CarbonylContact O-C 3.46Å; Q1869-T1872 PolarHBondContact O-N 2.92Å; Q1869-T1872 PolarHBondContact O-OG1 3.44Å; Q1869-T1872 VanDerWaalsContact O-OG1 3.08Å; Q1869-S1873 WeakPolarHBondContact O-CB 3.39Å; Q1869-S1873 PolarHBondContact O-N 3.22Å; Q1869-S1873 PolarHBondContact O-OG 2.9Å |
| 1870 | A | 50.9 | Low | 44.4 | Very low | 57 Ų | 57 | 105 Ų | 105 | 47% | 0.471 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.1 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1866 T1872 | V1866-A1870 WeakPolarHBondContact O-CB 3.4Å; V1866-A1870 PolarHBondContact O-N 3Å; A1870-T1872 PolarHBondContact O-N 3.43Å |
| 1871 | A | 47 | Very low | 42.5 | Very low | 78 Ų | 78 | 109.6 Ų | 109.6 | 65% | 0.645 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.9 | -23.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1867 Q1869 | A1867-A1871 WeakPolarHBondContact O-CB 3.33Å; A1867-A1871 PolarHBondContact O-N 3.41Å; Q1869-A1871 VanDerWaalsContact C-N 3.31Å; Q1869-A1871 PolarHBondContact O-N 3.46Å |
| 1872 | T | 45.5 | Very low | 40.9 | Very low | 93 Ų | 93 | 106.6 Ų | 106.6 | 57% | 0.571 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -102.6 | -19.2 | -179 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | L1868 Q1869 A1870 | L1868-T1872 WeakPolarHBondContact O-CB 3.3Å; L1868-T1872 WeakPolarHBondContact O-CG2 3.47Å; L1868-T1872 PolarHBondContact O-N 2.86Å; L1868-T1872 PolarHBondContact O-OG1 2.57Å; Q1869-T1872 VanDerWaalsContact CA-OG1 3.27Å; Q1869-T1872 WeakPolarHBondContact CA-OG1 3.15Å; Q1869-T1872 CarbonylContact O-C 3.46Å; Q1869-T1872 PolarHBondContact O-N 2.92Å; Q1869-T1872 PolarHBondContact O-OG1 3.44Å; Q1869-T1872 VanDerWaalsContact O-OG1 3.08Å; A1870-T1872 PolarHBondContact O-N 3.43Å |
| 1873 | S | 40.6 | Very low | 39.5 | Very low | 94 Ų | 94 | 109 Ų | 109 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -92.1 | -5.6 | 179.1 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | Q1869 N1875 | Q1869-S1873 WeakPolarHBondContact O-CB 3.39Å; Q1869-S1873 PolarHBondContact O-N 3.22Å; Q1869-S1873 PolarHBondContact O-OG 2.9Å; S1873-N1875 PolarHBondContact O-N 3.29Å |
| 1874 | S | 36 | Very low | 38.1 | Very low | 94 Ų | 94 | 112.5 Ų | 112.5 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | trans | -79 | 64.6 | 169.2 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | Q1876 | S1874-Q1876 VanDerWaalsContact C-N 3.31Å; S1874-Q1876 PolarHBondContact O-N 3.13Å | ||
| 1875 | N | 33.7 | Very low | 36.8 | Very low | 149 Ų | 149 | 116.6 Ų | 116.6 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | trans | -86.1 | 68.3 | 169.2 | -103.3 | -12.2 | 0 | 0 | 0 | 110.5 | S1873 | S1873-N1875 PolarHBondContact O-N 3.29Š| ||
| 1876 | Q | 27.3 | Very low | 35.6 | Very low | 164 Ų | 164 | 119.3 Ų | 119.3 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | trans | -117.1 | 109.2 | 142.5 | -87.4 | -150.8 | -16.3 | 0 | 0 | 107.4 | S1874 T1878 | S1874-Q1876 VanDerWaalsContact C-N 3.31Å; S1874-Q1876 PolarHBondContact O-N 3.13Å; Q1876-T1878 PolarHBondContact O-N 3.34Å | ||
| 1877 | P | 30.5 | Very low | 34.3 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -78.2 | 88.1 | -172.5 | 31.5 | -32.1 | 0 | 0 | 0 | 109.1 | L1879 | P1877-L1879 PolarHBondContact O-N 2.81Š| ||
| 1878 | T | 29.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -78.7 | 102.1 | 159.7 | 49.1 | 0 | 0 | 0 | 0 | 107.7 | Q1876 F1880 | Q1876-T1878 PolarHBondContact O-N 3.34Å; T1878-F1880 PolarHBondContact O-N 3.01Å; T1878-F1880 VanDerWaalsContact O-N 3.09Å | ||
| 1879 | L | 26.7 | Very low | 32.1 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | -41.4 | 110.8 | 170.2 | -78 | 88.6 | 0 | 0 | 0 | 111.1 | P1877 T1881 | P1877-L1879 PolarHBondContact O-N 2.81Å; L1879-T1881 HydrophobicContact CD2-CG2 4.44Å | ||
| 1880 | F | 26.1 | Very low | 31.1 | Very low | 200 Ų | 200 | 126.5 Ų | 126.5 | 88% | 0.877 | 73% | 0.731 | S | S | * | * | trans | -114.7 | 102 | 143.4 | -90.7 | -81 | 0 | 0 | 0 | 107.1 | T1878 S1882 | T1878-F1880 PolarHBondContact O-N 3.01Å; T1878-F1880 VanDerWaalsContact O-N 3.09Å; F1880-S1882 PolarHBondContact O-N 3.48Å | ||
| 1881 | T | 27 | Very low | 29.8 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | -57.6 | 124.4 | 178.6 | 42.5 | 0 | 0 | 0 | 0 | 111.2 | L1879 | L1879-T1881 HydrophobicContact CD2-CG2 4.44Š| ||
| 1882 | S | 24.5 | Very low | 28.7 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -63.7 | 142.4 | 170.8 | -43 | 0 | 0 | 0 | 0 | 112.3 | F1880 S1884 | F1880-S1882 PolarHBondContact O-N 3.48Å; S1882-S1884 PolarHBondContact O-N 3.36Å | ||
| 1883 | P | 27.1 | Very low | 27.7 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -81.6 | 108.1 | 152.5 | 29 | -21.4 | 0 | 0 | 0 | 108.8 | ||||
| 1884 | S | 25.1 | Very low | 26.9 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -16.7 | 117 | 160.3 | 46 | 0 | 0 | 0 | 0 | 117.1 | S1882 | S1882-S1884 PolarHBondContact O-N 3.36Š| ||
| 1885 | F | 24.7 | Very low | 26.4 | Very low | 209 Ų | 209 | 141.4 Ų | 141.4 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -114.6 | 135.1 | 152.8 | -138 | -93.2 | 0 | 0 | 0 | 109.2 | ||||
| 1886 | L | 24.5 | Very low | 26 | Very low | 169 Ų | 169 | 140 Ų | 140 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | -71.2 | 129.6 | -167.1 | -75 | 157 | 0 | 0 | 0 | 113 | ||||
| 1887 | T | 27 | Very low | 25.8 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | trans | -85.4 | 155.2 | 164.5 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1888 | K | 25.9 | Very low | 25.5 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 155.1 | 140.4 | 131.9 | -87 | -160.9 | 161.6 | -174.5 | 0 | 109.9 | ||||
| 1889 | D | 27.1 | Very low | 25.2 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 59% | 0.588 | 80% | 0.802 | S | S | * | * | cis | -169.4 | 121.8 | -6.8 | -96.8 | -25.6 | 0 | 0 | 0 | 103.3 | ||||
| 1890 | S | 25.2 | Very low | 25 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | 59.7 | 109.1 | 81.3 | 74.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 1891 | N | 24.7 | Very low | 24.9 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | trans | -175.5 | 121.4 | 141.8 | -104.1 | -14.7 | 0 | 0 | 0 | 112.6 | ||||
| 1892 | G | 24.2 | Very low | 24.8 | Very low | 74 Ų | 74 | 136.3 Ų | 136.3 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 138.2 | 90.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1893 | N | 23.4 | Very low | 24.7 | Very low | 161 Ų | 161 | 137.3 Ų | 137.3 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | 67.4 | 97.6 | 156.2 | -80.2 | -4.9 | 0 | 0 | 0 | 120.5 | ||||
| 1894 | N | 24.6 | Very low | 24.7 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | trans | -126.2 | 103.3 | 142 | -92.8 | -20 | 0 | 0 | 0 | 108.8 | ||||
| 1895 | N | 25.1 | Very low | 24.7 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -96 | 124 | 155.5 | -126.4 | 2.2 | 0 | 0 | 0 | 106.5 | ||||
| 1896 | T | 26 | Very low | 24.7 | Very low | 118 Ų | 118 | 135 Ų | 135 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | 52.7 | 96.2 | 150.7 | 64.2 | 0 | 0 | 0 | 0 | 115.7 | S1898 | T1896-S1898 PolarHBondContact O-N 3.36Š| ||
| 1897 | G | 22.4 | Very low | 24.6 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 92% | 0.918 | 76% | 0.756 | S | S | * | * | 62.2 | 28.3 | 59.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1898 | S | 23.5 | Very low | 24.4 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -92.3 | 113.6 | 162.8 | -160.3 | 0 | 0 | 0 | 0 | 109 | T1896 I1900 | T1896-S1898 PolarHBondContact O-N 3.36Å; S1898-I1900 PolarHBondContact O-N 3.14Å | ||
| 1899 | R | 24 | Very low | 24.3 | Very low | 241 Ų | 241 | 135.1 Ų | 135.1 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -60.5 | 87.3 | 179.1 | -161.6 | -179.4 | -167.6 | 176.8 | 2.2 | 109.1 | S1901 | R1899-S1901 PolarHBondContact O-N 3.17Å; R1899-S1901 VanDerWaalsContact O-N 3.16Å | ||
| 1900 | I | 23.5 | Very low | 24.1 | Very low | 144 Ų | 144 | 137 Ų | 137 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -77.4 | 98.1 | 164.8 | -62.8 | 176.5 | 0 | 0 | 0 | 105.6 | S1898 V1902 | S1898-I1900 PolarHBondContact O-N 3.14Å; I1900-V1902 VanDerWaalsContact C-N 3.33Å; I1900-V1902 PolarHBondContact O-N 3.21Å | ||
| 1901 | S | 23.6 | Very low | 24 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -49.4 | 105.9 | 154.6 | -79 | 0 | 0 | 0 | 0 | 106.8 | R1899 D1903 | R1899-S1901 PolarHBondContact O-N 3.17Å; R1899-S1901 VanDerWaalsContact O-N 3.16Å; S1901-D1903 PolarHBondContact O-N 2.82Å | ||
| 1902 | V | 25.5 | Very low | 23.8 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | trans | -70.3 | 88.7 | 160.6 | 178.1 | 0 | 0 | 0 | 0 | 104.2 | I1900 I1904 | I1900-V1902 VanDerWaalsContact C-N 3.33Å; I1900-V1902 PolarHBondContact O-N 3.21Å; V1902-I1904 VanDerWaalsContact C-N 3.27Å; V1902-I1904 PolarHBondContact O-N 3.48Å | ||
| 1903 | D | 22.5 | Very low | 23.8 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | trans | -49.4 | 108.4 | 149.6 | -74.6 | -34.3 | 0 | 0 | 0 | 104.5 | S1901 I1905 | S1901-D1903 PolarHBondContact O-N 2.82Å; D1903-I1905 PolarHBondContact O-N 2.88Å | ||
| 1904 | I | 26.2 | Very low | 23.8 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | trans | -62.8 | 88.6 | 159.4 | -64.4 | 174.4 | 0 | 0 | 0 | 102.9 | V1902 N1906 | V1902-I1904 VanDerWaalsContact C-N 3.27Å; V1902-I1904 PolarHBondContact O-N 3.48Å; I1904-N1906 PolarHBondContact O-N 3.44Å | ||
| 1905 | I | 24.2 | Very low | 23.6 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 65% | 0.646 | 74% | 0.743 | S | S | * | * | trans | -50.7 | 102.6 | 159.4 | -66.8 | 170.9 | 0 | 0 | 0 | 102.8 | D1903 H1907 | D1903-I1905 PolarHBondContact O-N 2.88Å; I1905-H1907 PolarHBondContact O-N 3.35Å | ||
| 1906 | N | 25 | Very low | 23.4 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | trans | -50.2 | 92.8 | 153.3 | -81.8 | -24.2 | 0 | 0 | 0 | 104.4 | I1904 D1908 | I1904-N1906 PolarHBondContact O-N 3.44Å; N1906-D1908 PolarHBondContact O-N 2.9Å | ||
| 1907 | H | 23.1 | Very low | 23.3 | Very low | 153 Ų | 153 | 138 Ų | 138 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | -70.4 | 73.2 | 158.9 | -116 | -69.2 | 0 | 0 | 0 | 104.4 | I1905 Y1909 | I1905-H1907 PolarHBondContact O-N 3.35Å; H1907-Y1909 PolarHBondContact O-N 3.23Å | ||
| 1908 | D | 23.4 | Very low | 23.3 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | trans | -48.6 | 105.1 | 151.6 | -76.9 | -27.7 | 0 | 0 | 0 | 104 | N1906 L1910 | N1906-D1908 PolarHBondContact O-N 2.9Å; D1908-L1910 HydrophobicContact CB-CD1 4.47Å; D1908-L1910 PolarHBondContact O-N 3.49Å | ||
| 1909 | Y | 22.7 | Very low | 23.3 | Very low | 203 Ų | 203 | 144.1 Ų | 144.1 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | trans | -66.5 | 64.6 | 155.7 | -89.8 | -90.4 | 0 | 0 | 0 | 107.2 | H1907 S1911 | H1907-Y1909 PolarHBondContact O-N 3.23Å; Y1909-S1911 PolarHBondContact O-N 3.01Å | ||
| 1910 | L | 22.5 | Very low | 23.3 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -69 | 79.6 | 140.6 | -111.1 | 95 | 0 | 0 | 0 | 105.1 | D1908 T1912 | D1908-L1910 HydrophobicContact CB-CD1 4.47Å; D1908-L1910 PolarHBondContact O-N 3.49Å; L1910-T1912 PolarHBondContact O-N 3.41Å | ||
| 1911 | S | 23.6 | Very low | 23.4 | Very low | 80 Ų | 80 | 142.9 Ų | 142.9 | 56% | 0.559 | 74% | 0.744 | S | S | * | * | trans | -58.7 | 99 | 159 | -68.3 | 0 | 0 | 0 | 0 | 106.7 | Y1909 N1913 | Y1909-S1911 PolarHBondContact O-N 3.01Å; S1911-N1913 PolarHBondContact O-N 2.95Å | ||
| 1912 | T | 21.5 | Very low | 23.4 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | trans | 24.9 | 90 | 139 | 29.5 | 0 | 0 | 0 | 0 | 113.4 | L1910 K1914 | L1910-T1912 PolarHBondContact O-N 3.41Å; T1912-K1914 PolarHBondContact O-N 2.82Å | ||
| 1913 | N | 22.7 | Very low | 23.3 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -56.1 | 85.3 | 158.5 | -84.8 | -22.5 | 0 | 0 | 0 | 108.7 | S1911 T1915 | S1911-N1913 PolarHBondContact O-N 2.95Å; N1913-T1915 PolarHBondContact O-N 2.72Å; N1913-T1915 VanDerWaalsContact O-N 3.1Å | ||
| 1914 | K | 23.3 | Very low | 23.4 | Very low | 205 Ų | 205 | 146.1 Ų | 146.1 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | trans | -71.7 | 92.4 | 150.3 | -99.1 | -175.3 | 175.1 | -179.6 | 0 | 106.2 | T1912 M1916 | T1912-K1914 PolarHBondContact O-N 2.82Å; K1914-M1916 PolarHBondContact O-N 3.2Å | ||
| 1915 | T | 21.8 | Very low | 23.3 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | trans | -43.1 | 112.8 | 161.4 | 38.2 | 0 | 0 | 0 | 0 | 112.7 | N1913 | N1913-T1915 PolarHBondContact O-N 2.72Å; N1913-T1915 VanDerWaalsContact O-N 3.1Å | ||
| 1916 | M | 21 | Very low | 23.2 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -140.8 | 93.6 | 140 | -85.3 | -160.6 | 88.4 | 0 | 0 | 106.1 | K1914 | K1914-M1916 PolarHBondContact O-N 3.2Š| ||
| 1917 | T | 23 | Very low | 23.2 | Very low | 103 Ų | 103 | 149 Ų | 149 | 63% | 0.632 | 78% | 0.778 | S | S | * | * | 70.2 | 107.1 | 99.4 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1918 | N | 22.3 | Very low | 23.2 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 66.5 | 109.8 | 142.2 | -65.1 | -18.1 | 0 | 0 | 0 | 119.3 | ||||
| 1919 | H | 24.4 | Very low | 23.2 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | 177.3 | 82.4 | 121.1 | -92.6 | -70.8 | 0 | 0 | 0 | 106.2 | |||||
| 1920 | K | 22.9 | Very low | 23.2 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | 37.3 | 83.9 | 91.2 | -86.7 | -167.7 | 178.1 | -178.7 | 0 | 113.7 | |||||
| 1921 | D | 25.7 | Very low | 23.2 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | trans | -131 | 108.7 | 136.5 | -84.9 | -37.4 | 0 | 0 | 0 | 107.4 | ||||
| 1922 | G | 24.9 | Very low | 23.2 | Very low | 79 Ų | 79 | 150.3 Ų | 150.3 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -90.3 | 127.4 | -164.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1923 | L | 23.6 | Very low | 23.2 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -130.6 | 129.8 | 162.1 | -154.4 | 72.9 | 0 | 0 | 0 | 109.4 | I1925 | L1923-I1925 PolarHBondContact O-N 3.44Š| ||
| 1924 | H | 23.4 | Very low | 23.3 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -45.3 | 117.1 | -171.2 | -85.8 | -112.6 | 0 | 0 | 0 | 114.9 | L1926 | H1924-L1926 HydrophobicContact CB-CD1 4.43Å; H1924-L1926 HydrophobicContact CB-CG 4.33Å; H1924-L1926 PolarHBondContact O-N 3.41Å | ||
| 1925 | I | 24.6 | Very low | 23.3 | Very low | 170 Ų | 170 | 148 Ų | 148 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -80.1 | 94.3 | 149.3 | -60.4 | 174.3 | 0 | 0 | 0 | 105.2 | L1923 | L1923-I1925 PolarHBondContact O-N 3.44Š| ||
| 1926 | L | 22.4 | Very low | 23.4 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | -87.7 | 114.1 | 165.7 | -89.1 | 161.9 | 0 | 0 | 0 | 107.9 | H1924 S1928 | H1924-L1926 HydrophobicContact CB-CD1 4.43Å; H1924-L1926 HydrophobicContact CB-CG 4.33Å; H1924-L1926 PolarHBondContact O-N 3.41Å; L1926-S1928 PolarHBondContact O-N 2.82Å | ||
| 1927 | D | 25 | Very low | 23.5 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -41.7 | 126.7 | 160.3 | -86.8 | -41.4 | 0 | 0 | 0 | 111.8 | ||||
| 1928 | S | 22.3 | Very low | 23.5 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | 179.6 | 89.7 | 148.7 | 34.5 | 0 | 0 | 0 | 0 | 105.8 | L1926 E1930 | L1926-S1928 PolarHBondContact O-N 2.82Å; S1928-E1930 PolarHBondContact O-N 2.78Å | ||
| 1929 | S | 24 | Very low | 23.9 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | 22.4 | 63.3 | 88 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1930 | E | 22.3 | Very low | 23.9 | Very low | 177 Ų | 177 | 146.1 Ų | 146.1 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -103.5 | 96.7 | 146 | -77.8 | -166 | 164.2 | 0 | 0 | 108.6 | S1928 F1932 | S1928-E1930 PolarHBondContact O-N 2.78Å; E1930-F1932 PolarHBondContact O-N 3.31Å | ||
| 1931 | N | 23 | Very low | 23.9 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -42.8 | 106.9 | 158.8 | -73.9 | -36.8 | 0 | 0 | 0 | 109.2 | N1933 | N1931-N1933 PolarHBondContact O-N 3.05Š| ||
| 1932 | F | 22.6 | Very low | 23.9 | Very low | 210 Ų | 210 | 141.2 Ų | 141.2 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -68.4 | 96.9 | 150.9 | -109.5 | -86.4 | 0 | 0 | 0 | 106.2 | E1930 V1934 | E1930-F1932 PolarHBondContact O-N 3.31Å; F1932-V1934 PolarHBondContact O-N 2.86Å | ||
| 1933 | N | 22.6 | Very low | 23.8 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -41.1 | 119.5 | 173.3 | -74.5 | -42.5 | 0 | 0 | 0 | 110.2 | N1931 L1935 | N1931-N1933 PolarHBondContact O-N 3.05Å; N1933-L1935 VanDerWaalsContact C-N 3.32Å; N1933-L1935 PolarHBondContact O-N 3.26Å | ||
| 1934 | V | 24.4 | Very low | 23.7 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -42.2 | 106.6 | 133.8 | 173.4 | 0 | 0 | 0 | 0 | 107 | F1932 G1936 | F1932-V1934 PolarHBondContact O-N 2.86Å; V1934-G1936 VanDerWaalsContact C-N 3.29Å; V1934-G1936 PolarHBondContact O-N 2.88Å; V1934-G1936 VanDerWaalsContact O-N 3.1Å | ||
| 1935 | L | 23.2 | Very low | 23.9 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -61.1 | 103.9 | 147.9 | -100.7 | 136.9 | 0 | 0 | 0 | 105.1 | N1933 | N1933-L1935 VanDerWaalsContact C-N 3.32Å; N1933-L1935 PolarHBondContact O-N 3.26Å | ||
| 1936 | G | 24.1 | Very low | 24 | Very low | 48 Ų | 48 | 146.1 Ų | 146.1 | 50% | 0.495 | 79% | 0.785 | S | S | . | * | trans | -70.3 | 154.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1934 | V1934-G1936 VanDerWaalsContact C-N 3.29Å; V1934-G1936 PolarHBondContact O-N 2.88Å; V1934-G1936 VanDerWaalsContact O-N 3.1Å | ||
| 1937 | D | 23.6 | Very low | 24.1 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | 61.2 | 132.5 | 161 | -68.1 | -23 | 0 | 0 | 0 | 116.9 | ||||
| 1938 | E | 23 | Very low | 24.4 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | cis | -167.1 | 161.2 | 26.9 | -128.8 | 175.4 | 179.2 | 0 | 0 | 108.4 | ||||
| 1939 | K | 29.8 | Very low | 24.6 | Very low | 203 Ų | 203 | 149.1 Ų | 149.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -50 | 137.7 | -175.1 | -63.7 | 161.1 | 177.9 | 168.7 | 0 | 115.4 | ||||
| 1940 | A | 24.1 | Very low | 25.2 | Very low | 98 Ų | 98 | 149.3 Ų | 149.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -145 | 82.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1941 | S | 23.7 | Very low | 25.8 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 35.8 | 100.1 | 143.4 | -45.7 | 0 | 0 | 0 | 0 | 119.6 | Q1943 | S1941-Q1943 PolarHBondContact O-N 3.12Š| ||
| 1942 | T | 24.7 | Very low | 26.3 | Very low | 143 Ų | 143 | 146 Ų | 146 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -15.8 | 113.7 | 138.9 | -5.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1943 | Q | 23.7 | Very low | 27.1 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -166.8 | 87.3 | 140.8 | -110.6 | 178.6 | 9.5 | 0 | 0 | 109.1 | S1941 | S1941-Q1943 PolarHBondContact O-N 3.12Š| ||
| 1944 | C | 22 | Very low | 28 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 58% | 0.581 | 75% | 0.751 | S | S | * | * | trans | -139.6 | 94.1 | 161.9 | -98.4 | 0 | 0 | 0 | 0 | 108.5 | Y1946 | C1944-Y1946 HydrophobicContact CB-CD2 3.58Å; C1944-Y1946 HydrophobicContact CB-CE2 3.41Å; C1944-Y1946 VanDerWaalsContact CB-CE2 3.41Å; C1944-Y1946 PolarHBondContact O-N 3.29Å; C1944-Y1946 WeakPolarHBondContact SG-CE2 3.45Å | ||
| 1945 | F | 26 | Very low | 28.9 | Very low | 212 Ų | 212 | 141.3 Ų | 141.3 | 93% | 0.93 | 75% | 0.751 | S | S | * | * | trans | -53 | 119.4 | 142.6 | -85.1 | -97.3 | 0 | 0 | 0 | 106.9 | ||||
| 1946 | Y | 27.4 | Very low | 30.1 | Very low | 196 Ų | 196 | 138.5 Ų | 138.5 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -120.5 | 110.4 | 163.6 | -85.9 | -66.1 | 0 | 0 | 0 | 109 | C1944 | C1944-Y1946 HydrophobicContact CB-CD2 3.58Å; C1944-Y1946 HydrophobicContact CB-CE2 3.41Å; C1944-Y1946 VanDerWaalsContact CB-CE2 3.41Å; C1944-Y1946 PolarHBondContact O-N 3.29Å; C1944-Y1946 WeakPolarHBondContact SG-CE2 3.45Å | ||
| 1947 | E | 25.2 | Very low | 31.2 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | trans | -51.2 | 134 | 164 | -69.2 | 171.1 | 142 | 0 | 0 | 110.5 | N1949 | E1947-N1949 PolarHBondContact O-N 2.88Š| ||
| 1948 | T | 30.9 | Very low | 32.5 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | trans | -68.4 | 96.8 | 178.8 | -23.4 | 0 | 0 | 0 | 0 | 109.7 | L1950 | T1948-L1950 PolarHBondContact O-N 2.99Š| ||
| 1949 | N | 26.9 | Very low | 34 | Very low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 66% | 0.659 | S | S | * | * | trans | -75.3 | 105 | 173.6 | -160.6 | -21.5 | 0 | 0 | 0 | 109.3 | E1947 N1951 | E1947-N1949 PolarHBondContact O-N 2.88Å; N1949-N1951 PolarHBondContact O-N 3.04Å; N1949-N1951 VanDerWaalsContact O-N 3.09Å | ||
| 1950 | L | 36.1 | Very low | 35.2 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -68.9 | -1.6 | -174.7 | -141.2 | 82.6 | 0 | 0 | 0 | 114.2 | T1948 N1952 M2137 | T1948-L1950 PolarHBondContact O-N 2.99Å; L1950-N1952 VanDerWaalsContact C-N 3.3Å; L1950-N1952 PolarHBondContact O-N 3.39Å; L1950-M2137 HydrophobicContact CD2-CE 4.35Å |
| 1951 | N | 35 | Very low | 37.1 | Very low | 139 Ų | 139 | 118 Ų | 118 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -83.6 | 3.9 | -179.2 | -74.1 | -13.3 | 0 | 0 | 0 | 114.8 | N1949 | N1949-N1951 PolarHBondContact O-N 3.04Å; N1949-N1951 VanDerWaalsContact O-N 3.09Å |
| 1952 | N | 34.2 | Very low | 39.3 | Very low | 106 Ų | 106 | 115 Ų | 115 | 57% | 0.567 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -101.6 | 23.4 | 177.6 | -90.4 | -4.1 | 0 | 0 | 0 | 114.4 | L1950 N1954 Q1955 | L1950-N1952 VanDerWaalsContact C-N 3.3Å; L1950-N1952 PolarHBondContact O-N 3.39Å; N1952-N1954 PolarHBondContact O-N 3.31Å; N1952-Q1955 PolarHBondContact O-N 3.38Å |
| 1953 | T | 38 | Very low | 41.5 | Very low | 61 Ų | 61 | 113.3 Ų | 113.3 | 37% | 0.374 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -56.1 | -24.1 | 178.2 | 32.1 | 0 | 0 | 0 | 0 | 114 | Q1955 L1956 T2132 | T1953-Q1955 VanDerWaalsContact C-N 3.26Å; T1953-Q1955 PolarHBondContact O-N 3.31Å; T1953-L1956 PolarHBondContact O-N 2.93Å; T1953-T2132 HydrophobicContact CG2-CG2 4.47Å |
| 1954 | N | 41.7 | Very low | 43.8 | Very low | 143 Ų | 143 | 109.6 Ų | 109.6 | 77% | 0.765 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -68.1 | -15.5 | 174.6 | -74.4 | -15 | 0 | 0 | 0 | 114.8 | N1952 | N1952-N1954 PolarHBondContact O-N 3.31Š|
| 1955 | Q | 44.7 | Very low | 46.3 | Very low | 166 Ų | 166 | 106.8 Ų | 106.8 | 78% | 0.776 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -96 | -8 | 173.8 | -79.9 | -174.2 | -5.9 | 0 | 0 | 114.1 | N1952 T1953 | N1952-Q1955 PolarHBondContact O-N 3.38Å; T1953-Q1955 VanDerWaalsContact C-N 3.26Å; T1953-Q1955 PolarHBondContact O-N 3.31Å |
| 1956 | L | 46.3 | Very low | 48.5 | Very low | 117 Ų | 117 | 101.6 Ų | 101.6 | 61% | 0.613 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -93.3 | -5.2 | 173.8 | -84.5 | 156 | 0 | 0 | 0 | 113 | T1953 | T1953-L1956 PolarHBondContact O-N 2.93Š|
| 1957 | I | 48.3 | Very low | 50.9 | Low | 45 Ų | 45 | 98.1 Ų | 98.1 | 23% | 0.231 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -89.7 | 110.5 | 175.6 | -67 | 172 | 0 | 0 | 0 | 107.1 | I2086 Q2087 | I1957-I2086 HydrophobicContact CB-CG2 4.41Å; I1957-I2086 HydrophobicContact CG1-CG2 4.31Å; I1957-I2086 HydrophobicContact CG2-CG2 3.84Å; I1957-I2086 WeakPolarHBondContact CG2-O 3.49Å; I1957-Q2087 HydrophobicContact CG2-CG 4.41Å |
| 1958 | G | 50.6 | Low | 53.7 | Low | 19 Ų | 19 | 89.5 Ų | 89.5 | 20% | 0.196 | 50% | 0.495 | C | S | . | . | trans | -70.6 | 175.1 | -162.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q2087 | G1958-Q2087 PolarHBondContact O-NE2 2.99Š| ||
| 1959 | A | 54.2 | Low | 56.4 | Low | 13 Ų | 13 | 83.3 Ų | 83.3 | 11% | 0.107 | 46% | 0.457 | C | S | . | . | trans | 28.1 | 102.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | H1848 Y1849 E1852 Q2087 | H1848-A1959 VanDerWaalsContact CE1-CB 3.41Å; H1848-A1959 WeakPolarHBondContact CE1-CB 3.15Å; Y1849-A1959 HydrophobicContact CD1-CB 4.12Å; Y1849-A1959 HydrophobicContact CE1-CB 4.15Å; E1852-A1959 HydrophobicContact CB-CB 4.36Å; E1852-A1959 HydrophobicContact CG-CB 3.96Å; A1959-Q2087 PolarHBondContact O-NE2 2.98Å | ||
| 1960 | S | 56.5 | Low | 59.3 | Low | 100 Ų | 100 | 77.6 Ų | 77.6 | 70% | 0.699 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 132.8 | 165.9 | 41.2 | 0 | 0 | 0 | 0 | 110.2 | L1962 | S1960-L1962 PolarHBondContact O-N 3Š|
| 1961 | P | 63.2 | Low | 61.7 | Low | 73 Ų | 73 | 76.2 Ų | 76.2 | 47% | 0.474 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -50 | 133.9 | 177.3 | -26.2 | 32.6 | 0 | 0 | 0 | 110 | ||
| 1962 | L | 69.3 | Low | 64.2 | Low | 51 Ų | 51 | 73.4 Ų | 73.4 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 134.3 | 177.4 | -74.3 | 172.4 | 0 | 0 | 0 | 108.8 | E1845 H1848 S1960 | E1845-L1962 HydrophobicContact CB-CD1 3.89Å; E1845-L1962 HydrophobicContact CG-CD1 4.35Å; H1848-L1962 HydrophobicContact CB-CD1 4.13Å; S1960-L1962 PolarHBondContact O-N 3Å |
| 1963 | P | 70.8 | Confident | 66.8 | Low | 108 Ų | 108 | 68.6 Ų | 68.6 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 142.2 | 177.5 | 23.8 | -31.9 | 0 | 0 | 0 | 110.2 | H1841 D1965 | H1841-P1963 PolarHBondContact CE1-O 2.79Å; P1963-D1965 PolarHBondContact O-N 2.95Å |
| 1964 | F | 71.7 | Confident | 69.3 | Low | 109 Ų | 109 | 67.6 Ų | 67.6 | 48% | 0.478 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 132.7 | 179.1 | -67.2 | -85.6 | 0 | 0 | 0 | 111.5 | P1966 Y1970 | F1964-P1966 WeakPolarHBondContact O-CD 3.39Å; F1964-Y1970 HydrophobicContact CE1-CD1 4.01Å; F1964-Y1970 HydrophobicContact CE1-CE1 4.32Å |
| 1965 | D | 74.8 | Confident | 71.6 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 14% | 0.144 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 119.2 | 167.4 | -166.3 | -43.8 | 0 | 0 | 0 | 108.7 | H1841 P1963 R1967 G1968 | H1841-D1965 HydrophobicContact CB-CB 3.89Å; P1963-D1965 PolarHBondContact O-N 2.95Å; D1965-R1967 PolarHBondContact O-N 3.09Å; D1965-R1967 WeakPolarHBondContact OD1-CB 3.49Å; D1965-R1967 WeakPolarHBondContact OD1-CG 3.14Å; D1965-R1967 IonicContact OD1-CZ 2.71Å; D1965-R1967 PolarHBondContact OD1-N 2.74Å; D1965-R1967 IonicContact OD1-NE 2.81Å; D1965-R1967 PolarHBondContact OD1-NE 2.93Å; D1965-R1967 IonicContact OD1-NH2 2.62Å; D1965-R1967 IonicContact OD2-CZ 3.49Å; D1965-R1967 IonicContact OD2-NE 2.91Å; D1965-R1967 PolarHBondContact OD2-NE 3.41Å; D1965-R1967 IonicContact OD2-NH2 2.91Å; D1965-R1967 PolarHBondContact OD2-NH2 3.3Å; D1965-G1968 PolarHBondContact O-N 2.75Å |
| 1966 | P | 72.1 | Confident | 73.8 | Confident | 102 Ų | 102 | 59.8 Ų | 59.8 | 66% | 0.662 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -4.1 | -178.3 | 28.4 | -36 | 0 | 0 | 0 | 113.8 | K1750 F1964 | K1750-P1966 PolarHBondContact NZ-O 2.83Å; F1964-P1966 WeakPolarHBondContact O-CD 3.39Å |
| 1967 | R | 78.5 | Confident | 76 | Confident | 124 Ų | 124 | 55.1 Ų | 55.1 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -20.6 | 171.6 | -63.8 | 173.5 | -73.1 | -169.9 | -2.2 | 113 | Y1838 D1965 M1969 | Y1838-R1967 HydrophobicContact CD2-CB 3.95Å; Y1838-R1967 VanDerWaalsContact CE1-NH1 3.35Å; Y1838-R1967 HydrophobicContact CE2-CB 4.38Å; Y1838-R1967 HydrophobicContact CG-CB 4.04Å; Y1838-R1967 PolarHBondContact OH-NH1 3.33Å; D1965-R1967 PolarHBondContact O-N 3.09Å; D1965-R1967 WeakPolarHBondContact OD1-CB 3.49Å; D1965-R1967 WeakPolarHBondContact OD1-CG 3.14Å; D1965-R1967 IonicContact OD1-CZ 2.71Å; D1965-R1967 PolarHBondContact OD1-N 2.74Å; D1965-R1967 IonicContact OD1-NE 2.81Å; D1965-R1967 PolarHBondContact OD1-NE 2.93Å; D1965-R1967 IonicContact OD1-NH2 2.62Å; D1965-R1967 IonicContact OD2-CZ 3.49Å; D1965-R1967 IonicContact OD2-NE 2.91Å; D1965-R1967 PolarHBondContact OD2-NE 3.41Å; D1965-R1967 IonicContact OD2-NH2 2.91Å; D1965-R1967 PolarHBondContact OD2-NH2 3.3Å; R1967-M1969 WeakPolarHBondContact O-CE 3.47Å |
| 1968 | G | 83.3 | Confident | 78.2 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -72.2 | 143.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1836 D1965 Y1970 | L1836-G1968 CarbonylContact O-C 3.58Å; L1836-G1968 VanDerWaalsContact O-CA 3.24Å; L1836-G1968 WeakPolarHBondContact O-CA 3.44Å; D1965-G1968 PolarHBondContact O-N 2.75Å; G1968-Y1970 VanDerWaalsContact C-N 3.29Å |
| 1969 | M | 88.8 | Confident | 80.2 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | trans | -85.4 | 0.9 | 179.5 | -60.4 | -62.7 | 141.1 | 0 | 0 | 113.1 | L1746 K1750 W1757 I1835 L1836 R1967 P1971 H1972 L1973 | L1746-M1969 WeakPolarHBondContact O-CE 3.26Å; K1750-M1969 HydrophobicContact CG-CE 3.9Å; K1750-M1969 HydrophobicContact CG-SD 3.86Å; W1757-M1969 HydrophobicContact CH2-CB 3.75Å; W1757-M1969 HydrophobicContact CH2-CG 4.03Å; W1757-M1969 HydrophobicContact CZ2-CB 3.95Å; W1757-M1969 HydrophobicContact CZ2-CG 4.21Å; W1757-M1969 HydrophobicContact CZ2-SD 4.47Å; I1835-M1969 HydrophobicContact CG2-CB 4.22Å; I1835-M1969 HydrophobicContact CG2-CG 4.45Å; I1835-M1969 VanDerWaalsContact O-CB 3.3Å; I1835-M1969 WeakPolarHBondContact O-CB 3.35Å; I1835-M1969 PolarHBondContact O-N 3.35Å; L1836-M1969 PolarHBondContact O-N 3.05Å; R1967-M1969 WeakPolarHBondContact O-CE 3.47Å; M1969-P1971 VanDerWaalsContact C-CD 3.43Å; M1969-P1971 VanDerWaalsContact C-N 3.33Å; M1969-P1971 VanDerWaalsContact O-N 3.14Å; M1969-H1972 WeakPolarHBondContact O-CB 3.48Å; M1969-H1972 PolarHBondContact O-N 3.4Å; M1969-L1973 HydrophobicContact CB-CD1 4.09Å; M1969-L1973 WeakPolarHBondContact O-CD1 3.48Å | ||
| 1970 | Y | 88 | Confident | 82.1 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -44 | -49.8 | -177.3 | -170.6 | -90.1 | 0 | 0 | 0 | 113.7 | L1836 F1837 F1964 G1968 H1972 L1973 R1978 I2032 R2035 L2036 E2039 | L1836-Y1970 HydrophobicContact CB-CD2 4.31Å; L1836-Y1970 HydrophobicContact CD2-CD2 4.44Å; L1836-Y1970 VanDerWaalsContact O-CB 3.28Å; L1836-Y1970 WeakPolarHBondContact O-CB 3.37Å; L1836-Y1970 PolarHBondContact O-N 3.36Å; L1836-Y1970 VanDerWaalsContact O-N 3.11Å; F1837-Y1970 HydrophobicContact CD1-CD2 4.16Å; F1837-Y1970 AromaticContact CE1-CD2 3.31Å; F1837-Y1970 HydrophobicContact CE1-CD2 3.31Å; F1837-Y1970 AromaticContact CE1-CE2 3.69Å; F1837-Y1970 HydrophobicContact CE1-CE2 3.69Å; F1837-Y1970 HydrophobicContact CE1-CG 4.02Å; F1837-Y1970 AromaticContact CZ-CD2 3.79Å; F1837-Y1970 HydrophobicContact CZ-CD2 3.79Å; F1837-Y1970 AromaticContact CZ-CE2 3.89Å; F1837-Y1970 HydrophobicContact CZ-CE2 3.89Å; F1964-Y1970 HydrophobicContact CE1-CD1 4.01Å; F1964-Y1970 HydrophobicContact CE1-CE1 4.32Å; G1968-Y1970 VanDerWaalsContact C-N 3.29Å; Y1970-H1972 VanDerWaalsContact C-N 3.25Å; Y1970-H1972 PolarHBondContact O-N 2.98Å; Y1970-L1973 PolarHBondContact O-N 3.47Å; Y1970-R1978 HydrophobicContact CE2-CG 4.5Å; Y1970-R1978 PolarHBondContact O-NE 3.16Å; Y1970-R1978 PolarHBondContact O-NH2 3.32Å; Y1970-I2032 HydrophobicContact CE2-CG1 4.45Å; Y1970-I2032 HydrophobicContact CE2-CG2 4.39Å; Y1970-I2032 PolarHBondContact OH-O 2.9Å; Y1970-R2035 HydrophobicContact CE1-CB 4.06Å; Y1970-R2035 HydrophobicContact CE2-CB 4.37Å; Y1970-R2035 WeakPolarHBondContact OH-CB 3.43Å; Y1970-L2036 PolarHBondContact OH-N 3.36Å; Y1970-E2039 WeakPolarHBondContact CE1-OE1 3.47Å |
| 1971 | P | 85.8 | Confident | 84 | Confident | 87 Ų | 87 | 49.9 Ų | 49.9 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -66.2 | -22.8 | -177.7 | -20.1 | 34.6 | 0 | 0 | 0 | 114.8 | M1969 R1978 | M1969-P1971 VanDerWaalsContact C-CD 3.43Å; M1969-P1971 VanDerWaalsContact C-N 3.33Å; M1969-P1971 VanDerWaalsContact O-N 3.14Å; P1971-R1978 PolarHBondContact O-NH2 3.06Å |
| 1972 | H | 86.9 | Confident | 85.5 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 37% | 0.37 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -82.9 | -16.3 | -176.4 | -67.7 | -74.1 | 0 | 0 | 0 | 113.5 | W1757 M1969 Y1970 | W1757-H1972 HydrophobicContact CZ2-CB 4.22Å; M1969-H1972 WeakPolarHBondContact O-CB 3.48Å; M1969-H1972 PolarHBondContact O-N 3.4Å; Y1970-H1972 VanDerWaalsContact C-N 3.25Å; Y1970-H1972 PolarHBondContact O-N 2.98Å |
| 1973 | L | 90.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -86.1 | 144.8 | 174.8 | -74.3 | 78.7 | 0 | 0 | 0 | 110.1 | W1757 V1761 L1836 M1969 Y1970 Q1977 R1978 L1981 | W1757-L1973 HydrophobicContact CD2-CD1 4.24Å; W1757-L1973 HydrophobicContact CD2-CG 4.23Å; W1757-L1973 HydrophobicContact CE3-CD1 3.98Å; W1757-L1973 HydrophobicContact CE3-CD2 4.45Å; W1757-L1973 HydrophobicContact CE3-CG 3.94Å; W1757-L1973 HydrophobicContact CH2-CD1 3.71Å; W1757-L1973 HydrophobicContact CZ2-CD1 3.97Å; W1757-L1973 HydrophobicContact CZ3-CD1 3.72Å; W1757-L1973 HydrophobicContact CZ3-CD2 4.48Å; W1757-L1973 HydrophobicContact CZ3-CG 4.12Å; V1761-L1973 HydrophobicContact CG2-CD2 4.11Å; L1836-L1973 HydrophobicContact CD2-CD1 4Å; L1836-L1973 HydrophobicContact CD2-CD2 3.76Å; L1836-L1973 HydrophobicContact CD2-CG 4.48Å; M1969-L1973 HydrophobicContact CB-CD1 4.09Å; M1969-L1973 WeakPolarHBondContact O-CD1 3.48Å; Y1970-L1973 PolarHBondContact O-N 3.47Å; L1973-Q1977 HydrophobicContact CB-CB 4.34Å; L1973-Q1977 HydrophobicContact CD2-CB 4.44Å; L1973-R1978 HydrophobicContact CB-CG 3.75Å; L1973-R1978 HydrophobicContact CD2-CG 4.48Å; L1973-R1978 PolarHBondContact O-NE 3.13Å; L1973-R1978 PolarHBondContact O-NH2 2.86Å; L1973-L1981 HydrophobicContact CD2-CD1 3.68Å |
| 1974 | S | 90.1 | Very high | 87.8 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | trans | -68.7 | 154.4 | 172 | 77.7 | 0 | 0 | 0 | 0 | 111.3 | Q1976 Q1977 R1978 | S1974-Q1976 PolarHBondContact O-N 3.44Å; S1974-Q1977 WeakPolarHBondContact O-CB 3.48Å; S1974-Q1977 PolarHBondContact O-N 3.46Å; S1974-Q1977 VanDerWaalsContact O-N 3.1Å; S1974-Q1977 VanDerWaalsContact OG-CG 3.3Å; S1974-Q1977 WeakPolarHBondContact OG-CG 3.46Å; S1974-Q1977 PolarHBondContact OG-N 3.37Å; S1974-Q1977 PolarHBondContact OG-OE1 2.79Å; S1974-R1978 WeakPolarHBondContact O-CG 3.17Å; S1974-R1978 PolarHBondContact O-N 2.76Å | ||
| 1975 | P | 90.3 | Very high | 89 | Confident | 44 Ų | 44 | 38.4 Ų | 38.4 | 29% | 0.286 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -53.2 | -40.3 | 176.6 | -28 | 35.7 | 0 | 0 | 0 | 112.7 | R1978 L1979 L2036 I2043 | P1975-R1978 PolarHBondContact O-N 3.31Å; P1975-L1979 WeakPolarHBondContact O-CB 3.44Å; P1975-L1979 PolarHBondContact O-N 3.48Å; P1975-L2036 HydrophobicContact CB-CD2 3.99Å; P1975-I2043 HydrophobicContact CB-CD1 3.46Å; P1975-I2043 VanDerWaalsContact CB-CD1 3.46Å; P1975-I2043 HydrophobicContact CB-CG1 3.8Å; P1975-I2043 WeakPolarHBondContact O-CD1 3.28Å |
| 1976 | Q | 90.9 | Very high | 90 | Very high | 101 Ų | 101 | 38 Ų | 38 | 47% | 0.472 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64 | -42.4 | 178.7 | -173.5 | 64.1 | 17.7 | 0 | 0 | 112.4 | S1974 L1979 T1980 | S1974-Q1976 PolarHBondContact O-N 3.44Å; Q1976-L1979 PolarHBondContact O-N 2.85Å; Q1976-T1980 WeakPolarHBondContact O-CB 3.45Å; Q1976-T1980 PolarHBondContact O-N 3.41Å; Q1976-T1980 PolarHBondContact O-OG1 3.36Å |
| 1977 | Q | 92.7 | Very high | 91.1 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.6 | -76 | 165.7 | -8.9 | 0 | 0 | 111.6 | D1754 V1761 L1973 S1974 L1979 T1980 L1981 | D1754-Q1977 PolarHBondContact O-NE2 3.06Å; V1761-Q1977 HydrophobicContact CG2-CB 4.11Å; V1761-Q1977 HydrophobicContact CG2-CG 4.22Å; L1973-Q1977 HydrophobicContact CB-CB 4.34Å; L1973-Q1977 HydrophobicContact CD2-CB 4.44Å; S1974-Q1977 WeakPolarHBondContact O-CB 3.48Å; S1974-Q1977 PolarHBondContact O-N 3.46Å; S1974-Q1977 VanDerWaalsContact O-N 3.1Å; S1974-Q1977 VanDerWaalsContact OG-CG 3.3Å; S1974-Q1977 WeakPolarHBondContact OG-CG 3.46Å; S1974-Q1977 PolarHBondContact OG-N 3.37Å; S1974-Q1977 PolarHBondContact OG-OE1 2.79Å; Q1977-L1979 PolarHBondContact O-N 2.87Å; Q1977-T1980 WeakPolarHBondContact O-CB 3.42Å; Q1977-T1980 PolarHBondContact O-N 2.92Å; Q1977-L1981 PolarHBondContact O-N 2.91Å |
| 1978 | R | 93.1 | Very high | 91.9 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.8 | -62.6 | 176.9 | -158.5 | 163.2 | 7 | 111.7 | Y1970 P1971 L1973 S1974 P1975 T1980 L1981 A1982 I2032 L2036 E2039 | Y1970-R1978 HydrophobicContact CE2-CG 4.5Å; Y1970-R1978 PolarHBondContact O-NE 3.16Å; Y1970-R1978 PolarHBondContact O-NH2 3.32Å; P1971-R1978 PolarHBondContact O-NH2 3.06Å; L1973-R1978 HydrophobicContact CB-CG 3.75Å; L1973-R1978 HydrophobicContact CD2-CG 4.48Å; L1973-R1978 PolarHBondContact O-NE 3.13Å; L1973-R1978 PolarHBondContact O-NH2 2.86Å; S1974-R1978 WeakPolarHBondContact O-CG 3.17Å; S1974-R1978 PolarHBondContact O-N 2.76Å; P1975-R1978 PolarHBondContact O-N 3.31Å; R1978-T1980 VanDerWaalsContact C-N 3.26Å; R1978-T1980 PolarHBondContact O-N 3.06Å; R1978-L1981 PolarHBondContact O-N 3.36Å; R1978-A1982 PolarHBondContact O-N 3.3Å; R1978-I2032 HydrophobicContact CB-CG2 3.95Å; R1978-I2032 WeakPolarHBondContact O-CG2 3.5Å; R1978-L2036 HydrophobicContact CB-CD1 4.09Å; R1978-L2036 HydrophobicContact CB-CD2 4.12Å; R1978-L2036 HydrophobicContact CB-CG 4.34Å; R1978-E2039 IonicContact CZ-OE2 2.79Å; R1978-E2039 IonicContact NH1-OE1 3.65Å; R1978-E2039 PolarHBondContact NH1-OE1 2.82Å; R1978-E2039 IonicContact NH1-OE2 2.62Å; R1978-E2039 PolarHBondContact NH1-OE2 3.41Å |
| 1979 | L | 93.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -36.1 | 176.2 | -178.5 | 61.5 | 0 | 0 | 0 | 111.7 | P1975 Q1976 Q1977 A1982 K1983 L2033 L2036 I2043 L2050 | P1975-L1979 WeakPolarHBondContact O-CB 3.44Å; P1975-L1979 PolarHBondContact O-N 3.48Å; Q1976-L1979 PolarHBondContact O-N 2.85Å; Q1977-L1979 PolarHBondContact O-N 2.87Å; L1979-A1982 PolarHBondContact O-N 2.95Å; L1979-K1983 WeakPolarHBondContact O-CG 3.31Å; L1979-K1983 PolarHBondContact O-N 3.27Å; L1979-L2033 HydrophobicContact CD1-CD2 4.06Å; L1979-L2036 HydrophobicContact CB-CD1 3.97Å; L1979-L2036 HydrophobicContact CD1-CD1 4.39Å; L1979-I2043 HydrophobicContact CB-CD1 3.85Å; L1979-I2043 HydrophobicContact CD2-CB 4.22Å; L1979-I2043 HydrophobicContact CD2-CD1 4.06Å; L1979-I2043 HydrophobicContact CD2-CG2 4.48Å; L1979-L2050 HydrophobicContact CD1-CD2 4.13Å |
| 1980 | T | 94.4 | Very high | 92.8 | Very high | 48 Ų | 48 | 35.2 Ų | 35.2 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.7 | -42.9 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | V1761 V1765 Q1976 Q1977 R1978 K1983 C1984 | V1761-T1980 HydrophobicContact CG1-CG2 4.39Å; V1765-T1980 HydrophobicContact CG2-CG2 4.02Å; Q1976-T1980 WeakPolarHBondContact O-CB 3.45Å; Q1976-T1980 PolarHBondContact O-N 3.41Å; Q1976-T1980 PolarHBondContact O-OG1 3.36Å; Q1977-T1980 WeakPolarHBondContact O-CB 3.42Å; Q1977-T1980 PolarHBondContact O-N 2.92Å; R1978-T1980 VanDerWaalsContact C-N 3.26Å; R1978-T1980 PolarHBondContact O-N 3.06Å; T1980-K1983 PolarHBondContact O-N 3.37Å; T1980-C1984 WeakPolarHBondContact O-CB 3.4Å; T1980-C1984 PolarHBondContact O-N 2.81Å |
| 1981 | L | 94.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 171.8 | -68.5 | 177.2 | 0 | 0 | 0 | 112 | V1761 I1764 V1832 L1836 L1973 Q1977 R1978 K1983 C1984 L1985 | V1761-L1981 HydrophobicContact CG1-CD2 4.07Å; V1761-L1981 HydrophobicContact CG1-CG 4.14Å; V1761-L1981 HydrophobicContact CG2-CD1 4.39Å; I1764-L1981 HydrophobicContact CB-CD2 4.37Å; I1764-L1981 HydrophobicContact CG2-CD2 3.87Å; V1832-L1981 HydrophobicContact CG1-CD1 4.49Å; L1836-L1981 HydrophobicContact CD1-CD1 4.28Å; L1836-L1981 HydrophobicContact CD2-CD1 4.3Å; L1973-L1981 HydrophobicContact CD2-CD1 3.68Å; Q1977-L1981 PolarHBondContact O-N 2.91Å; R1978-L1981 PolarHBondContact O-N 3.36Å; L1981-K1983 PolarHBondContact O-N 2.82Å; L1981-C1984 WeakPolarHBondContact O-CB 3.38Å; L1981-C1984 PolarHBondContact O-N 2.83Å; L1981-L1985 WeakPolarHBondContact O-CG 3.18Å; L1981-L1985 PolarHBondContact O-N 3.43Å |
| 1982 | A | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1978 L1979 C1984 L1985 L1986 I2032 L2033 | R1978-A1982 PolarHBondContact O-N 3.3Å; L1979-A1982 PolarHBondContact O-N 2.95Å; A1982-C1984 VanDerWaalsContact C-N 3.33Å; A1982-C1984 PolarHBondContact O-N 3.16Å; A1982-L1985 PolarHBondContact O-N 2.65Å; A1982-L1986 VanDerWaalsContact O-CG 3.3Å; A1982-L1986 WeakPolarHBondContact O-CG 3.49Å; A1982-L1986 PolarHBondContact O-N 3.43Å; A1982-I2032 HydrophobicContact CB-CB 4.16Å; A1982-I2032 HydrophobicContact CB-CD1 4.39Å; A1982-I2032 HydrophobicContact CB-CG2 3.89Å; A1982-L2033 HydrophobicContact CB-CD2 4.07Å; A1982-L2033 HydrophobicContact CB-CG 4.22Å |
| 1983 | K | 95.3 | Very high | 93.9 | Very high | 91 Ų | 91 | 29.3 Ų | 29.3 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 174.7 | -72.9 | 175.3 | 179.4 | 177.5 | 0 | 111.8 | L1979 T1980 L1981 L1985 L1986 D1987 L2050 | L1979-K1983 WeakPolarHBondContact O-CG 3.31Å; L1979-K1983 PolarHBondContact O-N 3.27Å; T1980-K1983 PolarHBondContact O-N 3.37Å; L1981-K1983 PolarHBondContact O-N 2.82Å; K1983-L1985 PolarHBondContact O-N 3.47Å; K1983-L1986 WeakPolarHBondContact O-CB 3.32Å; K1983-L1986 PolarHBondContact O-N 3.47Å; K1983-L1986 VanDerWaalsContact O-N 3.16Å; K1983-D1987 PolarHBondContact O-N 2.93Å; K1983-L2050 HydrophobicContact CG-CD2 4.1Å |
| 1984 | C | 94.2 | Very high | 94 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.054 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 178.1 | -169.6 | 0 | 0 | 0 | 0 | 112.8 | V1765 F1768 T1980 L1981 A1982 D1987 S1988 | V1765-C1984 HydrophobicContact CG2-CB 4.32Å; F1768-C1984 WeakPolarHBondContact CB-SG 3.37Å; F1768-C1984 VanDerWaalsContact CD2-SG 3.55Å; F1768-C1984 WeakPolarHBondContact CG-SG 3.29Å; T1980-C1984 WeakPolarHBondContact O-CB 3.4Å; T1980-C1984 PolarHBondContact O-N 2.81Å; L1981-C1984 WeakPolarHBondContact O-CB 3.38Å; L1981-C1984 PolarHBondContact O-N 2.83Å; A1982-C1984 VanDerWaalsContact C-N 3.33Å; A1982-C1984 PolarHBondContact O-N 3.16Å; C1984-D1987 PolarHBondContact O-N 2.9Å; C1984-S1988 PolarHBondContact O-N 2.68Å; C1984-S1988 VanDerWaalsContact O-N 3.13Å |
| 1985 | L | 96.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 173.5 | -72.2 | 166.3 | 0 | 0 | 0 | 111.9 | F1768 I1829 V1832 L1981 A1982 K1983 S1988 H1989 S2025 C2028 A2029 I2032 | F1768-L1985 HydrophobicContact CZ-CD2 4.05Å; I1829-L1985 HydrophobicContact CB-CD2 4.36Å; I1829-L1985 HydrophobicContact CG1-CD2 3.95Å; I1829-L1985 HydrophobicContact CG2-CD2 4.21Å; V1832-L1985 HydrophobicContact CG1-CD1 4.01Å; L1981-L1985 WeakPolarHBondContact O-CG 3.18Å; L1981-L1985 PolarHBondContact O-N 3.43Å; A1982-L1985 PolarHBondContact O-N 2.65Å; K1983-L1985 PolarHBondContact O-N 3.47Å; L1985-S1988 PolarHBondContact O-N 2.97Å; L1985-H1989 PolarHBondContact O-N 3.14Å; L1985-S2025 WeakPolarHBondContact O-CB 3.31Å; L1985-C2028 HydrophobicContact CD1-CB 3.92Å; L1985-C2028 VanDerWaalsContact CD1-SG 3.52Å; L1985-A2029 HydrophobicContact CB-CB 3.93Å; L1985-A2029 HydrophobicContact CD1-CB 4.44Å; L1985-I2032 HydrophobicContact CD1-CD1 3.72Å |
| 1986 | L | 95.9 | Very high | 94.2 | Very high | 19 Ų | 19 | 32 Ų | 32 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.2 | -35.5 | 175 | -69.1 | 172.1 | 0 | 0 | 0 | 112.4 | A1982 K1983 S1988 H1989 A1990 L2026 A2029 L2033 L2050 V2054 | A1982-L1986 VanDerWaalsContact O-CG 3.3Å; A1982-L1986 WeakPolarHBondContact O-CG 3.49Å; A1982-L1986 PolarHBondContact O-N 3.43Å; K1983-L1986 WeakPolarHBondContact O-CB 3.32Å; K1983-L1986 PolarHBondContact O-N 3.47Å; K1983-L1986 VanDerWaalsContact O-N 3.16Å; L1986-S1988 VanDerWaalsContact C-N 3.33Å; L1986-H1989 WeakPolarHBondContact O-CB 3.39Å; L1986-H1989 PolarHBondContact O-N 3.41Å; L1986-A1990 WeakPolarHBondContact O-CB 3.48Å; L1986-A1990 PolarHBondContact O-N 2.9Å; L1986-L2026 HydrophobicContact CD2-CD1 4.12Å; L1986-A2029 HydrophobicContact CD2-CB 3.82Å; L1986-A2029 HydrophobicContact CG-CB 3.91Å; L1986-L2033 HydrophobicContact CD1-CD1 4.29Å; L1986-L2050 HydrophobicContact CD1-CD1 4.06Å; L1986-L2050 HydrophobicContact CD1-CD2 3.99Å; L1986-L2050 HydrophobicContact CD1-CG 4.08Å; L1986-V2054 HydrophobicContact CD1-CG2 3.64Å; L1986-V2054 HydrophobicContact CD2-CG1 3.87Å; L1986-V2054 HydrophobicContact CD2-CG2 3.75Å; L1986-V2054 HydrophobicContact CG-CG2 4.35Å |
| 1987 | D | 94.9 | Very high | 94.1 | Very high | 108 Ų | 108 | 30.6 Ų | 30.6 | 58% | 0.578 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -63.1 | -42.1 | 172.8 | -66.8 | -26 | 0 | 0 | 0 | 110.8 | K1983 C1984 A1990 F1991 | K1983-D1987 PolarHBondContact O-N 2.93Å; C1984-D1987 PolarHBondContact O-N 2.9Å; D1987-A1990 PolarHBondContact O-N 3.48Å; D1987-F1991 PolarHBondContact O-N 3.12Å |
| 1988 | S | 95.3 | Very high | 94 | Very high | 5 Ų | 5 | 32 Ų | 32 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | 174.8 | -166.8 | 0 | 0 | 0 | 0 | 112.1 | Q1825 C1984 L1985 L1986 A1992 Q2021 | Q1825-S1988 PolarHBondContact OE1-OG 3.23Å; C1984-S1988 PolarHBondContact O-N 2.68Å; C1984-S1988 VanDerWaalsContact O-N 3.13Å; L1985-S1988 PolarHBondContact O-N 2.97Å; L1986-S1988 VanDerWaalsContact C-N 3.33Å; S1988-A1992 WeakPolarHBondContact O-CB 3.23Å; S1988-A1992 PolarHBondContact O-N 3.43Å; S1988-Q2021 PolarHBondContact OG-NE2 3Å |
| 1989 | H | 95.7 | Very high | 93.6 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -52.3 | 170.9 | 173.8 | 65.5 | 0 | 0 | 0 | 111.4 | L1985 L1986 F1991 A1992 K1993 E2022 S2025 W2074 | L1985-H1989 PolarHBondContact O-N 3.14Å; L1986-H1989 WeakPolarHBondContact O-CB 3.39Å; L1986-H1989 PolarHBondContact O-N 3.41Å; H1989-F1991 VanDerWaalsContact C-N 3.31Å; H1989-F1991 PolarHBondContact O-N 3.28Å; H1989-A1992 PolarHBondContact O-N 2.93Å; H1989-K1993 VanDerWaalsContact O-CB 3.27Å; H1989-K1993 WeakPolarHBondContact O-CB 3.19Å; H1989-K1993 PolarHBondContact O-N 3.31Å; H1989-E2022 PolarHBondContact ND1-O 3.18Å; H1989-S2025 WeakPolarHBondContact CA-OG 3.29Å; H1989-S2025 VanDerWaalsContact CB-OG 3.23Å; H1989-S2025 WeakPolarHBondContact CB-OG 3.25Å; H1989-S2025 PolarHBondContact N-OG 3.43Å; H1989-W2074 AromaticContact CE1-CH2 3.56Å; H1989-W2074 AromaticContact CE1-CZ2 3.69Å; H1989-W2074 AromaticContact NE2-CH2 3.97Å |
| 1990 | A | 95.3 | Very high | 93.5 | Very high | 53 Ų | 53 | 40 Ų | 40 | 44% | 0.438 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.8 | -40.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1986 D1987 K1994 | L1986-A1990 WeakPolarHBondContact O-CB 3.48Å; L1986-A1990 PolarHBondContact O-N 2.9Å; D1987-A1990 PolarHBondContact O-N 3.48Å; A1990-K1994 VanDerWaalsContact O-CB 3.28Å; A1990-K1994 WeakPolarHBondContact O-CB 3.46Å; A1990-K1994 PolarHBondContact O-N 2.99Å |
| 1991 | F | 95 | Very high | 93.3 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -49.9 | 174 | 178.9 | -91.1 | 0 | 0 | 0 | 111.9 | V1772 P1773 L1776 L1777 D1987 H1989 K1994 F1995 L2018 | V1772-F1991 HydrophobicContact CG1-CB 4.49Å; V1772-F1991 HydrophobicContact CG1-CD1 4.3Å; V1772-F1991 HydrophobicContact CG1-CD2 3.52Å; V1772-F1991 HydrophobicContact CG1-CE2 3.75Å; V1772-F1991 HydrophobicContact CG1-CG 3.82Å; V1772-F1991 HydrophobicContact CG1-CZ 4.25Å; P1773-F1991 HydrophobicContact CG-CE1 3.6Å; P1773-F1991 HydrophobicContact CG-CZ 3.7Å; P1773-F1991 VanDerWaalsContact O-CZ 3.32Å; P1773-F1991 WeakPolarHBondContact O-CZ 3.37Å; L1776-F1991 HydrophobicContact CB-CZ 4.24Å; L1776-F1991 HydrophobicContact CD2-CE1 4.32Å; L1776-F1991 HydrophobicContact CD2-CZ 4.35Å; L1777-F1991 HydrophobicContact CD1-CD2 3.81Å; L1777-F1991 HydrophobicContact CD1-CE2 3.49Å; L1777-F1991 VanDerWaalsContact CD1-CE2 3.49Å; L1777-F1991 HydrophobicContact CD1-CZ 4.32Å; L1777-F1991 HydrophobicContact CG-CE2 3.82Å; L1777-F1991 HydrophobicContact CG-CZ 4.21Å; D1987-F1991 PolarHBondContact O-N 3.12Å; H1989-F1991 VanDerWaalsContact C-N 3.31Å; H1989-F1991 PolarHBondContact O-N 3.28Å; F1991-K1994 PolarHBondContact O-N 3.28Å; F1991-F1995 PolarHBondContact O-N 3.05Å; F1991-L2018 HydrophobicContact CD1-CD1 4.34Å; F1991-L2018 HydrophobicContact CE1-CD1 3.93Å |
| 1992 | A | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | S1988 H1989 F1995 N1996 L2018 Q2021 E2022 | S1988-A1992 WeakPolarHBondContact O-CB 3.23Å; S1988-A1992 PolarHBondContact O-N 3.43Å; H1989-A1992 PolarHBondContact O-N 2.93Å; A1992-F1995 PolarHBondContact O-N 3.44Å; A1992-N1996 WeakPolarHBondContact O-CB 3.27Å; A1992-N1996 VanDerWaalsContact O-CG 3.32Å; A1992-N1996 PolarHBondContact O-N 3.09Å; A1992-N1996 PolarHBondContact O-ND2 2.81Å; A1992-L2018 HydrophobicContact CB-CB 3.96Å; A1992-Q2021 HydrophobicContact CB-CB 4.1Å; A1992-Q2021 HydrophobicContact CB-CG 4.03Å; A1992-E2022 HydrophobicContact CB-CB 3.8Å |
| 1993 | K | 93.7 | Very high | 92.8 | Very high | 29 Ų | 29 | 41 Ų | 41 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.9 | -49.7 | 172.7 | 169.6 | 171.3 | 163.9 | 172.7 | 0 | 111.4 | H1989 F1995 N1996 S1997 E2022 D2057 Y2061 | H1989-K1993 VanDerWaalsContact O-CB 3.27Å; H1989-K1993 WeakPolarHBondContact O-CB 3.19Å; H1989-K1993 PolarHBondContact O-N 3.31Å; K1993-F1995 VanDerWaalsContact C-N 3.32Å; K1993-F1995 PolarHBondContact O-N 2.64Å; K1993-N1996 PolarHBondContact O-N 3.44Å; K1993-S1997 WeakPolarHBondContact O-CB 3.4Å; K1993-S1997 PolarHBondContact O-N 3.33Å; K1993-S1997 PolarHBondContact O-OG 2.63Å; K1993-E2022 HydrophobicContact CB-CG 4.28Å; K1993-D2057 IonicContact NZ-OD1 2.74Å; K1993-D2057 PolarHBondContact NZ-OD1 2.81Å; K1993-D2057 IonicContact NZ-OD2 2.58Å; K1993-D2057 PolarHBondContact NZ-OD2 3.25Å; K1993-Y2061 HydrophobicContact CD-CD1 4.32Å; K1993-Y2061 HydrophobicContact CD-CD2 3.91Å; K1993-Y2061 HydrophobicContact CD-CE1 4.43Å; K1993-Y2061 HydrophobicContact CD-CE2 4.01Å; K1993-Y2061 HydrophobicContact CD-CG 4.04Å; K1993-Y2061 HydrophobicContact CG-CD2 4.11Å; K1993-Y2061 HydrophobicContact CG-CE1 4.22Å; K1993-Y2061 HydrophobicContact CG-CE2 3.67Å |
| 1994 | K | 93.2 | Very high | 92.4 | Very high | 137 Ų | 137 | 37.9 Ų | 37.9 | 60% | 0.596 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -59.5 | -42.4 | 178.4 | -173.6 | 171.9 | 178.6 | 179.6 | 0 | 111.8 | L1777 A1990 F1991 D1998 | L1777-K1994 HydrophobicContact CD1-CD 3.86Å; L1777-K1994 HydrophobicContact CD1-CG 4.19Å; L1777-K1994 HydrophobicContact CD2-CG 4.22Å; A1990-K1994 VanDerWaalsContact O-CB 3.28Å; A1990-K1994 WeakPolarHBondContact O-CB 3.46Å; A1990-K1994 PolarHBondContact O-N 2.99Å; F1991-K1994 PolarHBondContact O-N 3.28Å; K1994-D1998 PolarHBondContact O-N 3.33Å |
| 1995 | F | 93.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 175.8 | 178.1 | -110.7 | 0 | 0 | 0 | 112.7 | L1776 L1777 F1991 A1992 K1993 S1997 D1998 R2002 L2005 P2016 L2018 | L1776-F1995 HydrophobicContact CD1-CE2 4.25Å; L1776-F1995 HydrophobicContact CD1-CZ 4.3Å; L1776-F1995 HydrophobicContact CD2-CB 4.29Å; L1776-F1995 HydrophobicContact CD2-CD1 3.73Å; L1776-F1995 HydrophobicContact CD2-CD2 3.29Å; L1776-F1995 HydrophobicContact CD2-CE1 3.75Å; L1776-F1995 HydrophobicContact CD2-CE2 3.33Å; L1776-F1995 HydrophobicContact CD2-CG 3.48Å; L1776-F1995 VanDerWaalsContact CD2-CG 3.48Å; L1776-F1995 HydrophobicContact CD2-CZ 3.54Å; L1776-F1995 HydrophobicContact CG-CD2 3.68Å; L1776-F1995 HydrophobicContact CG-CE2 3.4Å; L1776-F1995 HydrophobicContact CG-CG 4.37Å; L1776-F1995 HydrophobicContact CG-CZ 3.85Å; L1777-F1995 HydrophobicContact CD2-CB 3.84Å; L1777-F1995 HydrophobicContact CD2-CD2 4.1Å; L1777-F1995 HydrophobicContact CD2-CG 4.5Å; F1991-F1995 PolarHBondContact O-N 3.05Å; A1992-F1995 PolarHBondContact O-N 3.44Å; K1993-F1995 VanDerWaalsContact C-N 3.32Å; K1993-F1995 PolarHBondContact O-N 2.64Å; F1995-S1997 VanDerWaalsContact C-N 3.29Å; F1995-S1997 PolarHBondContact O-N 2.99Å; F1995-D1998 PolarHBondContact O-N 3.43Å; F1995-R2002 HydrophobicContact CD2-CG 4.31Å; F1995-R2002 HydrophobicContact CE1-CG 4.03Å; F1995-R2002 HydrophobicContact CE2-CG 3.74Å; F1995-R2002 HydrophobicContact CZ-CG 3.61Å; F1995-R2002 WeakPolarHBondContact O-CD 3.3Å; F1995-L2005 HydrophobicContact CE2-CD1 3.72Å; F1995-L2005 HydrophobicContact CZ-CD1 4.15Å; F1995-P2016 HydrophobicContact CE1-CB 4.37Å; F1995-P2016 HydrophobicContact CZ-CB 4.05Å; F1995-P2016 HydrophobicContact CZ-CG 4.08Å; F1995-L2018 HydrophobicContact CB-CD1 4.29Å; F1995-L2018 HydrophobicContact CD1-CB 4.22Å; F1995-L2018 HydrophobicContact CD1-CD1 3.71Å; F1995-L2018 HydrophobicContact CD1-CG 3.66Å; F1995-L2018 HydrophobicContact CE1-CD1 4.37Å; F1995-L2018 HydrophobicContact CE1-CG 4.03Å; F1995-L2018 HydrophobicContact CG-CD1 4.19Å |
| 1996 | N | 91 | Very high | 91.6 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.2 | -24.3 | -178.5 | -71.4 | -34.5 | 0 | 0 | 0 | 113.2 | A1992 K1993 R2002 N2017 L2018 L2019 E2022 | A1992-N1996 WeakPolarHBondContact O-CB 3.27Å; A1992-N1996 VanDerWaalsContact O-CG 3.32Å; A1992-N1996 PolarHBondContact O-N 3.09Å; A1992-N1996 PolarHBondContact O-ND2 2.81Å; K1993-N1996 PolarHBondContact O-N 3.44Å; N1996-R2002 PolarHBondContact O-NH1 3.33Å; N1996-R2002 PolarHBondContact O-NH2 3.15Å; N1996-N2017 WeakPolarHBondContact OD1-CA 3.21Å; N1996-L2018 PolarHBondContact ND2-O 3Å; N1996-L2018 PolarHBondContact OD1-N 3.3Å; N1996-L2019 PolarHBondContact ND2-N 3.07Å; N1996-E2022 VanDerWaalsContact CB-OE2 3.31Å; N1996-E2022 WeakPolarHBondContact CB-OE2 3.3Å; N1996-E2022 PolarHBondContact ND2-OE2 3.31Å |
| 1997 | S | 89.2 | Confident | 91.1 | Very high | 72 Ų | 72 | 48 Ų | 48 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -79.7 | -18.3 | 173 | -69.5 | 0 | 0 | 0 | 0 | 114.3 | K1993 F1995 D1999 Y2061 | K1993-S1997 WeakPolarHBondContact O-CB 3.4Å; K1993-S1997 PolarHBondContact O-N 3.33Å; K1993-S1997 PolarHBondContact O-OG 2.63Å; F1995-S1997 VanDerWaalsContact C-N 3.29Å; F1995-S1997 PolarHBondContact O-N 2.99Å; S1997-D1999 PolarHBondContact O-N 3.08Å; S1997-Y2061 WeakPolarHBondContact OG-CE2 3.35Å; S1997-Y2061 PolarHBondContact OG-OH 2.92Å |
| 1998 | D | 89.8 | Confident | 90.5 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 26% | 0.262 | 23% | 0.229 | S | C | . | . | trans | -91.4 | 80.2 | -178.8 | -164.9 | -22.2 | 0 | 0 | 0 | 111.1 | K1994 F1995 E2000 Q2001 R2002 | K1994-D1998 PolarHBondContact O-N 3.33Å; F1995-D1998 PolarHBondContact O-N 3.43Å; D1998-E2000 PolarHBondContact O-N 3.05Å; D1998-E2000 PolarHBondContact OD1-N 2.97Å; D1998-Q2001 HydrophobicContact CB-CB 4Å; D1998-Q2001 PolarHBondContact O-N 2.99Å; D1998-Q2001 VanDerWaalsContact OD1-CB 3.29Å; D1998-Q2001 WeakPolarHBondContact OD1-CB 3.46Å; D1998-Q2001 PolarHBondContact OD1-N 2.89Å; D1998-Q2001 VanDerWaalsContact OD2-CB 3.31Å; D1998-Q2001 WeakPolarHBondContact OD2-CB 3.46Å; D1998-R2002 VanDerWaalsContact O-CG 3.31Å; D1998-R2002 WeakPolarHBondContact O-CG 3.27Å; D1998-R2002 PolarHBondContact O-N 3.45Å; D1998-R2002 VanDerWaalsContact O-N 3.1Å | ||
| 1999 | D | 85.9 | Confident | 89.9 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 34% | 0.342 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.7 | -31.6 | 179.7 | -158.9 | 64.8 | 0 | 0 | 0 | 112.5 | S1997 R2002 N2003 K2015 | S1997-D1999 PolarHBondContact O-N 3.08Å; D1999-R2002 IonicContact OD1-CZ 3.96Å; D1999-R2002 IonicContact OD1-NE 3.82Å; D1999-R2002 IonicContact OD1-NH2 3.45Å; D1999-R2002 PolarHBondContact OD1-NH2 3.16Å; D1999-N2003 WeakPolarHBondContact O-CB 3.37Å; D1999-N2003 PolarHBondContact O-N 3.44Å; D1999-N2003 PolarHBondContact O-ND2 3.02Å; D1999-N2003 PolarHBondContact OD2-ND2 2.96Å; D1999-K2015 IonicContact OD1-NZ 2.63Å; D1999-K2015 PolarHBondContact OD1-NZ 3.2Å; D1999-K2015 IonicContact OD2-NZ 3.82Å; D1999-K2015 PolarHBondContact OD2-NZ 2.67Å |
| 2000 | E | 89.2 | Confident | 89.3 | Confident | 116 Ų | 116 | 46.4 Ų | 46.4 | 54% | 0.542 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.7 | -52.7 | 177 | -170.5 | -167.2 | 138.7 | 0 | 0 | 110.6 | R1780 D1998 R2002 N2003 I2004 | R1780-E2000 IonicContact CZ-OE1 3.91Å; R1780-E2000 IonicContact NH1-OE1 2.97Å; R1780-E2000 PolarHBondContact NH1-OE1 3.48Å; R1780-E2000 IonicContact NH2-OE1 3.86Å; D1998-E2000 PolarHBondContact O-N 3.05Å; D1998-E2000 PolarHBondContact OD1-N 2.97Å; E2000-R2002 VanDerWaalsContact C-N 3.33Å; E2000-R2002 PolarHBondContact O-N 2.92Å; E2000-N2003 WeakPolarHBondContact O-CB 3.18Å; E2000-N2003 PolarHBondContact O-N 3.42Å; E2000-N2003 VanDerWaalsContact O-N 3.1Å; E2000-I2004 HydrophobicContact CG-CD1 4.17Å; E2000-I2004 WeakPolarHBondContact O-CG1 3.43Å; E2000-I2004 PolarHBondContact O-N 2.73Å |
| 2001 | Q | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | -179.7 | -173.2 | 62.5 | 14.2 | 0 | 0 | 112.1 | L1776 W1779 D1998 N2003 I2004 L2005 | L1776-Q2001 WeakPolarHBondContact O-CG 3.15Å; L1776-Q2001 PolarHBondContact O-NE2 3.44Å; W1779-Q2001 PolarHBondContact O-NE2 3.09Å; D1998-Q2001 HydrophobicContact CB-CB 4Å; D1998-Q2001 PolarHBondContact O-N 2.99Å; D1998-Q2001 VanDerWaalsContact OD1-CB 3.29Å; D1998-Q2001 WeakPolarHBondContact OD1-CB 3.46Å; D1998-Q2001 PolarHBondContact OD1-N 2.89Å; D1998-Q2001 VanDerWaalsContact OD2-CB 3.31Å; D1998-Q2001 WeakPolarHBondContact OD2-CB 3.46Å; Q2001-N2003 VanDerWaalsContact C-N 3.32Å; Q2001-N2003 PolarHBondContact O-N 3.45Å; Q2001-I2004 PolarHBondContact O-N 3.47Å; Q2001-L2005 HydrophobicContact CG-CD1 4.49Å; Q2001-L2005 WeakPolarHBondContact O-CG 3.23Å; Q2001-L2005 PolarHBondContact O-N 3.03Å |
| 2002 | R | 91.5 | Very high | 87.4 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 174 | -67.8 | -175.6 | -48.6 | 178.8 | 3.5 | 112.1 | F1995 N1996 D1998 D1999 E2000 F2006 P2016 | F1995-R2002 HydrophobicContact CD2-CG 4.31Å; F1995-R2002 HydrophobicContact CE1-CG 4.03Å; F1995-R2002 HydrophobicContact CE2-CG 3.74Å; F1995-R2002 HydrophobicContact CZ-CG 3.61Å; F1995-R2002 WeakPolarHBondContact O-CD 3.3Å; N1996-R2002 PolarHBondContact O-NH1 3.33Å; N1996-R2002 PolarHBondContact O-NH2 3.15Å; D1998-R2002 VanDerWaalsContact O-CG 3.31Å; D1998-R2002 WeakPolarHBondContact O-CG 3.27Å; D1998-R2002 PolarHBondContact O-N 3.45Å; D1998-R2002 VanDerWaalsContact O-N 3.1Å; D1999-R2002 IonicContact OD1-CZ 3.96Å; D1999-R2002 IonicContact OD1-NE 3.82Å; D1999-R2002 IonicContact OD1-NH2 3.45Å; D1999-R2002 PolarHBondContact OD1-NH2 3.16Å; E2000-R2002 VanDerWaalsContact C-N 3.33Å; E2000-R2002 PolarHBondContact O-N 2.92Å; R2002-F2006 WeakPolarHBondContact O-CB 3.37Å; R2002-F2006 PolarHBondContact O-N 3.18Å; R2002-P2016 VanDerWaalsContact CD-O 3.22Å; R2002-P2016 WeakPolarHBondContact CD-O 3.35Å |
| 2003 | N | 87.4 | Confident | 86.7 | Confident | 47 Ų | 47 | 63.1 Ų | 63.1 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 174.3 | -72.6 | -31.2 | 0 | 0 | 0 | 111.2 | D1999 E2000 Q2001 F2006 Q2007 K2015 | D1999-N2003 WeakPolarHBondContact O-CB 3.37Å; D1999-N2003 PolarHBondContact O-N 3.44Å; D1999-N2003 PolarHBondContact O-ND2 3.02Å; D1999-N2003 PolarHBondContact OD2-ND2 2.96Å; E2000-N2003 WeakPolarHBondContact O-CB 3.18Å; E2000-N2003 PolarHBondContact O-N 3.42Å; E2000-N2003 VanDerWaalsContact O-N 3.1Å; Q2001-N2003 VanDerWaalsContact C-N 3.32Å; Q2001-N2003 PolarHBondContact O-N 3.45Å; N2003-F2006 PolarHBondContact O-N 2.89Å; N2003-Q2007 WeakPolarHBondContact O-CB 3.35Å; N2003-Q2007 VanDerWaalsContact O-CG 3.26Å; N2003-Q2007 WeakPolarHBondContact O-CG 3.36Å; N2003-Q2007 PolarHBondContact O-N 3.16Å; N2003-K2015 WeakPolarHBondContact OD1-CE 3.47Å; N2003-K2015 PolarHBondContact OD1-NZ 2.87Å |
| 2004 | I | 88.2 | Confident | 86.1 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 14% | 0.138 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -50 | 176.4 | -69.7 | 166.7 | 0 | 0 | 0 | 110.6 | W1779 P1781 E2000 Q2001 F2006 Q2007 A2008 | W1779-I2004 HydrophobicContact CE3-CG2 3.94Å; W1779-I2004 HydrophobicContact CZ3-CG2 3.76Å; P1781-I2004 HydrophobicContact CG-CG2 4.33Å; E2000-I2004 HydrophobicContact CG-CD1 4.17Å; E2000-I2004 WeakPolarHBondContact O-CG1 3.43Å; E2000-I2004 PolarHBondContact O-N 2.73Å; Q2001-I2004 PolarHBondContact O-N 3.47Å; I2004-F2006 PolarHBondContact O-N 2.8Å; I2004-Q2007 PolarHBondContact O-N 3.31Å; I2004-A2008 VanDerWaalsContact O-CB 3.29Å; I2004-A2008 WeakPolarHBondContact O-CB 3.12Å; I2004-A2008 PolarHBondContact O-N 3.34Å |
| 2005 | L | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 178.8 | -72.6 | 171.7 | 0 | 0 | 0 | 112.5 | L1776 W1779 F1815 F1995 Q2001 A2008 G2009 F2010 P2016 | L1776-L2005 HydrophobicContact CD1-CD1 3.83Å; L1776-L2005 HydrophobicContact CG-CD1 3.89Å; L1776-L2005 WeakPolarHBondContact O-CD1 3.37Å; W1779-L2005 HydrophobicContact CB-CD2 4.38Å; W1779-L2005 HydrophobicContact CD2-CD2 4.26Å; W1779-L2005 HydrophobicContact CE3-CD2 3.89Å; W1779-L2005 HydrophobicContact CG-CD2 4.48Å; F1815-L2005 HydrophobicContact CE1-CD2 4.28Å; F1815-L2005 HydrophobicContact CZ-CD2 4.36Å; F1995-L2005 HydrophobicContact CE2-CD1 3.72Å; F1995-L2005 HydrophobicContact CZ-CD1 4.15Å; Q2001-L2005 HydrophobicContact CG-CD1 4.49Å; Q2001-L2005 WeakPolarHBondContact O-CG 3.23Å; Q2001-L2005 PolarHBondContact O-N 3.03Å; L2005-A2008 PolarHBondContact O-N 2.88Å; L2005-G2009 PolarHBondContact O-N 3.46Å; L2005-G2009 VanDerWaalsContact O-N 3.16Å; L2005-F2010 HydrophobicContact CB-CB 3.94Å; L2005-F2010 HydrophobicContact CB-CG 4.4Å; L2005-F2010 HydrophobicContact CD2-CB 4.33Å; L2005-F2010 HydrophobicContact CD2-CG 4.45Å; L2005-F2010 VanDerWaalsContact O-CB 3.25Å; L2005-F2010 WeakPolarHBondContact O-CB 3.25Å; L2005-F2010 PolarHBondContact O-N 3.38Å; L2005-P2016 HydrophobicContact CB-CG 4.22Å |
| 2006 | F | 85.8 | Confident | 85.3 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 35% | 0.346 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -46 | 175.9 | -176.5 | -113 | 0 | 0 | 0 | 111.2 | R2002 N2003 I2004 A2008 G2009 K2011 K2015 | R2002-F2006 WeakPolarHBondContact O-CB 3.37Å; R2002-F2006 PolarHBondContact O-N 3.18Å; N2003-F2006 PolarHBondContact O-N 2.89Å; I2004-F2006 PolarHBondContact O-N 2.8Å; F2006-A2008 VanDerWaalsContact C-N 3.32Å; F2006-A2008 PolarHBondContact O-N 3.12Å; F2006-G2009 PolarHBondContact O-N 3.19Å; F2006-G2009 VanDerWaalsContact O-N 3.15Å; F2006-K2011 WeakPolarHBondContact CD2-O 3.15Å; F2006-K2011 VanDerWaalsContact CE2-O 3.31Å; F2006-K2011 WeakPolarHBondContact CE2-O 3.32Å; F2006-K2015 HydrophobicContact CD1-CG 4.39Å; F2006-K2015 HydrophobicContact CG-CG 4.25Å |
| 2007 | Q | 83.8 | Confident | 85.2 | Confident | 162 Ų | 162 | 64.9 Ų | 64.9 | 76% | 0.757 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65 | -34.6 | 175.3 | -72.3 | 176.5 | 6.4 | 0 | 0 | 112.5 | N2003 I2004 G2009 | N2003-Q2007 WeakPolarHBondContact O-CB 3.35Å; N2003-Q2007 VanDerWaalsContact O-CG 3.26Å; N2003-Q2007 WeakPolarHBondContact O-CG 3.36Å; N2003-Q2007 PolarHBondContact O-N 3.16Å; I2004-Q2007 PolarHBondContact O-N 3.31Å; Q2007-G2009 PolarHBondContact O-N 3.3Å |
| 2008 | A | 83.4 | Confident | 85.4 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 21% | 0.207 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.2 | -11.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1779 F1815 I2004 L2005 F2006 | W1779-A2008 HydrophobicContact CH2-CB 3.39Å; W1779-A2008 HydrophobicContact CZ2-CB 4.41Å; W1779-A2008 HydrophobicContact CZ3-CB 3.46Å; W1779-A2008 VanDerWaalsContact CZ3-CB 3.46Å; F1815-A2008 HydrophobicContact CE2-CB 3.87Å; F1815-A2008 WeakPolarHBondContact CE2-O 3.27Å; F1815-A2008 HydrophobicContact CZ-CB 3.76Å; I2004-A2008 VanDerWaalsContact O-CB 3.29Å; I2004-A2008 WeakPolarHBondContact O-CB 3.12Å; I2004-A2008 PolarHBondContact O-N 3.34Å; L2005-A2008 PolarHBondContact O-N 2.88Å; F2006-A2008 VanDerWaalsContact C-N 3.32Å; F2006-A2008 PolarHBondContact O-N 3.12Å |
| 2009 | G | 82 | Confident | 85.5 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 17.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L2005 F2006 Q2007 K2011 | L2005-G2009 PolarHBondContact O-N 3.46Å; L2005-G2009 VanDerWaalsContact O-N 3.16Å; F2006-G2009 PolarHBondContact O-N 3.19Å; F2006-G2009 VanDerWaalsContact O-N 3.15Å; Q2007-G2009 PolarHBondContact O-N 3.3Å; G2009-K2011 VanDerWaalsContact C-N 3.32Å; G2009-K2011 PolarHBondContact O-N 3.26Å |
| 2010 | F | 82.7 | Confident | 85.8 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 9% | 0.088 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -59.9 | -37.9 | 178.9 | -179.1 | -104.2 | 0 | 0 | 0 | 113 | L1776 F1815 L1818 L1819 L2005 P2016 | L1776-F2010 HydrophobicContact CD1-CD1 4.39Å; L1776-F2010 HydrophobicContact CD1-CE1 3.65Å; L1776-F2010 HydrophobicContact CD1-CE2 4.12Å; L1776-F2010 HydrophobicContact CD1-CZ 3.5Å; L1776-F2010 VanDerWaalsContact CD1-CZ 3.5Å; F1815-F2010 HydrophobicContact CB-CD2 3.75Å; F1815-F2010 HydrophobicContact CB-CE2 4.27Å; F1815-F2010 AromaticContact CD1-CD2 3.86Å; F1815-F2010 HydrophobicContact CD1-CD2 3.86Å; F1815-F2010 HydrophobicContact CD2-CB 4Å; F1815-F2010 HydrophobicContact CD2-CD2 4.11Å; F1815-F2010 HydrophobicContact CE1-CD2 4.45Å; F1815-F2010 HydrophobicContact CE2-CB 4.01Å; F1815-F2010 HydrophobicContact CG-CB 4.4Å; F1815-F2010 AromaticContact CG-CD2 3.66Å; F1815-F2010 HydrophobicContact CG-CD2 3.66Å; F1815-F2010 HydrophobicContact CZ-CB 4.44Å; F1815-F2010 WeakPolarHBondContact O-CE2 3.42Å; L1818-F2010 HydrophobicContact CB-CE2 3.83Å; L1818-F2010 HydrophobicContact CB-CZ 4.32Å; L1819-F2010 HydrophobicContact CB-CE2 4.44Å; L1819-F2010 HydrophobicContact CB-CZ 4.3Å; L1819-F2010 HydrophobicContact CD1-CZ 4.45Å; L2005-F2010 HydrophobicContact CB-CB 3.94Å; L2005-F2010 HydrophobicContact CB-CG 4.4Å; L2005-F2010 HydrophobicContact CD2-CB 4.33Å; L2005-F2010 HydrophobicContact CD2-CG 4.45Å; L2005-F2010 VanDerWaalsContact O-CB 3.25Å; L2005-F2010 WeakPolarHBondContact O-CB 3.25Å; L2005-F2010 PolarHBondContact O-N 3.38Å; F2010-P2016 HydrophobicContact CD1-CB 3.76Å; F2010-P2016 HydrophobicContact CD1-CG 4.03Å; F2010-P2016 HydrophobicContact CE1-CB 4.02Å |
| 2011 | K | 77.1 | Confident | 86 | Confident | 84 Ų | 84 | 59.9 Ų | 59.9 | 37% | 0.365 | 31% | 0.308 | S | S | . | . | trans | -142.7 | 114.6 | 175.4 | -166.5 | 177.4 | -171.5 | 171.9 | 0 | 110.6 | F2006 G2009 P2016 | F2006-K2011 WeakPolarHBondContact CD2-O 3.15Å; F2006-K2011 VanDerWaalsContact CE2-O 3.31Å; F2006-K2011 WeakPolarHBondContact CE2-O 3.32Å; G2009-K2011 VanDerWaalsContact C-N 3.32Å; G2009-K2011 PolarHBondContact O-N 3.26Å; K2011-P2016 HydrophobicContact CB-CB 4.11Å; K2011-P2016 HydrophobicContact CD-CB 4.18Å | ||
| 2012 | V | 74.4 | Confident | 86.2 | Confident | 130 Ų | 130 | 59.9 Ų | 59.9 | 79% | 0.788 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -74.7 | -35.2 | -167.9 | -173.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 2013 | K | 79.3 | Confident | 86.3 | Confident | 208 Ų | 208 | 59 Ų | 59 | 90% | 0.904 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -85.2 | -26.1 | -167.6 | -68.5 | -175.6 | 178.3 | 178.5 | 0 | 115.1 | ||
| 2014 | A | 81.3 | Confident | 86.7 | Confident | 50 Ų | 50 | 60.4 Ų | 60.4 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -164 | 158 | -177 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 2015 | K | 82.4 | Confident | 87 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | trans | -49.4 | 128.3 | 171.7 | -70.4 | -173.3 | 179.7 | -167.1 | 0 | 109.7 | D1999 N2003 F2006 N2017 | D1999-K2015 IonicContact OD1-NZ 2.63Å; D1999-K2015 PolarHBondContact OD1-NZ 3.2Å; D1999-K2015 IonicContact OD2-NZ 3.82Å; D1999-K2015 PolarHBondContact OD2-NZ 2.67Å; N2003-K2015 WeakPolarHBondContact OD1-CE 3.47Å; N2003-K2015 PolarHBondContact OD1-NZ 2.87Å; F2006-K2015 HydrophobicContact CD1-CG 4.39Å; F2006-K2015 HydrophobicContact CG-CG 4.25Å; K2015-N2017 PolarHBondContact O-N 2.84Å; K2015-N2017 PolarHBondContact O-ND2 2.85Å | ||
| 2016 | P | 87.3 | Confident | 87.4 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.019 | 30% | 0.304 | C | S | . | . | trans | -61.8 | 134.7 | -179.9 | 25.9 | -32.6 | 0 | 0 | 0 | 109.6 | F1995 R2002 L2005 F2010 K2011 | F1995-P2016 HydrophobicContact CE1-CB 4.37Å; F1995-P2016 HydrophobicContact CZ-CB 4.05Å; F1995-P2016 HydrophobicContact CZ-CG 4.08Å; R2002-P2016 VanDerWaalsContact CD-O 3.22Å; R2002-P2016 WeakPolarHBondContact CD-O 3.35Å; L2005-P2016 HydrophobicContact CB-CG 4.22Å; F2010-P2016 HydrophobicContact CD1-CB 3.76Å; F2010-P2016 HydrophobicContact CD1-CG 4.03Å; F2010-P2016 HydrophobicContact CE1-CB 4.02Å; K2011-P2016 HydrophobicContact CB-CB 4.11Å; K2011-P2016 HydrophobicContact CD-CB 4.18Å | ||
| 2017 | N | 89.9 | Confident | 87.8 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | trans | -144 | 153.7 | 176.8 | 67 | 82.9 | 0 | 0 | 0 | 109 | N1996 K2015 L2019 | N1996-N2017 WeakPolarHBondContact OD1-CA 3.21Å; K2015-N2017 PolarHBondContact O-N 2.84Å; K2015-N2017 PolarHBondContact O-ND2 2.85Å; N2017-L2019 PolarHBondContact OD1-N 3.23Å | ||
| 2018 | L | 93.1 | Very high | 88.3 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | trans | -116.4 | 34.9 | 177.6 | -63.1 | 178.1 | 0 | 0 | 0 | 110.3 | L1776 C1822 F1991 A1992 F1995 N1996 K2020 Q2021 E2022 | L1776-L2018 HydrophobicContact CD2-CD1 3.83Å; C1822-L2018 HydrophobicContact CB-CD2 3.98Å; F1991-L2018 HydrophobicContact CD1-CD1 4.34Å; F1991-L2018 HydrophobicContact CE1-CD1 3.93Å; A1992-L2018 HydrophobicContact CB-CB 3.96Å; F1995-L2018 HydrophobicContact CB-CD1 4.29Å; F1995-L2018 HydrophobicContact CD1-CB 4.22Å; F1995-L2018 HydrophobicContact CD1-CD1 3.71Å; F1995-L2018 HydrophobicContact CD1-CG 3.66Å; F1995-L2018 HydrophobicContact CE1-CD1 4.37Å; F1995-L2018 HydrophobicContact CE1-CG 4.03Å; F1995-L2018 HydrophobicContact CG-CD1 4.19Å; N1996-L2018 PolarHBondContact ND2-O 3Å; N1996-L2018 PolarHBondContact OD1-N 3.3Å; L2018-K2020 VanDerWaalsContact C-N 3.3Å; L2018-K2020 PolarHBondContact O-N 3.04Å; L2018-Q2021 HydrophobicContact CB-CB 4.17Å; L2018-Q2021 WeakPolarHBondContact O-CB 3.22Å; L2018-Q2021 PolarHBondContact O-N 2.81Å; L2018-Q2021 VanDerWaalsContact O-N 3.09Å; L2018-E2022 WeakPolarHBondContact O-CB 3.48Å; L2018-E2022 PolarHBondContact O-N 3.39Å | ||
| 2019 | L | 90.9 | Very high | 88.8 | Confident | 35 Ų | 35 | 47 Ų | 47 | 18% | 0.183 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -37 | -169.9 | -177.4 | 58.1 | 0 | 0 | 0 | 112.8 | N1996 N2017 T2023 H2070 A2073 | N1996-L2019 PolarHBondContact ND2-N 3.07Å; N2017-L2019 PolarHBondContact OD1-N 3.23Å; L2019-T2023 HydrophobicContact CD1-CG2 4.29Å; L2019-T2023 WeakPolarHBondContact O-CG2 3.16Å; L2019-T2023 PolarHBondContact O-N 2.71Å; L2019-T2023 PolarHBondContact O-OG1 3.34Å; L2019-H2070 WeakPolarHBondContact CD1-CD2 3.24Å; L2019-H2070 VanDerWaalsContact CD1-NE2 3.34Å; L2019-H2070 WeakPolarHBondContact CD1-NE2 3Å; L2019-A2073 HydrophobicContact CD1-CB 3.96Å; L2019-A2073 HydrophobicContact CD2-CB 3.57Å; L2019-A2073 HydrophobicContact CG-CB 3.75Å |
| 2020 | K | 92.6 | Very high | 89.4 | Confident | 136 Ų | 136 | 45 Ų | 45 | 59% | 0.591 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -68.5 | -40.5 | 174.7 | -66.8 | -173.3 | 176.4 | -174.5 | 0 | 112.2 | Y1826 L2018 T2023 H2024 | Y1826-K2020 HydrophobicContact CD2-CB 4.23Å; Y1826-K2020 HydrophobicContact CE2-CB 3.58Å; L2018-K2020 VanDerWaalsContact C-N 3.3Å; L2018-K2020 PolarHBondContact O-N 3.04Å; K2020-T2023 PolarHBondContact O-OG1 2.98Å; K2020-H2024 WeakPolarHBondContact O-CB 3.48Å; K2020-H2024 PolarHBondContact O-CD2 2.68Å; K2020-H2024 PolarHBondContact O-N 2.95Å |
| 2021 | Q | 93.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 2% | 0.023 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -48.7 | 176 | -173.4 | -178.1 | -21.1 | 0 | 0 | 109.8 | Y1826 I1829 S1988 A1992 L2018 T2023 S2025 | Y1826-Q2021 HydrophobicContact CD2-CB 4.4Å; I1829-Q2021 HydrophobicContact CD1-CB 4.39Å; I1829-Q2021 HydrophobicContact CD1-CG 3.5Å; I1829-Q2021 VanDerWaalsContact CD1-CG 3.5Å; S1988-Q2021 PolarHBondContact OG-NE2 3Å; A1992-Q2021 HydrophobicContact CB-CB 4.1Å; A1992-Q2021 HydrophobicContact CB-CG 4.03Å; L2018-Q2021 HydrophobicContact CB-CB 4.17Å; L2018-Q2021 WeakPolarHBondContact O-CB 3.22Å; L2018-Q2021 PolarHBondContact O-N 2.81Å; L2018-Q2021 VanDerWaalsContact O-N 3.09Å; Q2021-T2023 PolarHBondContact O-N 3.3Å; Q2021-S2025 VanDerWaalsContact O-CB 3.29Å; Q2021-S2025 WeakPolarHBondContact O-CB 3.19Å; Q2021-S2025 PolarHBondContact O-N 3.42Å; Q2021-S2025 VanDerWaalsContact O-N 3.08Å; Q2021-S2025 PolarHBondContact O-OG 2.88Å |
| 2022 | E | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.6 | -50.6 | 178 | -179 | -175.2 | 122.9 | 0 | 0 | 112.4 | H1989 A1992 K1993 N1996 L2018 S2025 Y2061 H2070 W2074 | H1989-E2022 PolarHBondContact ND1-O 3.18Å; A1992-E2022 HydrophobicContact CB-CB 3.8Å; K1993-E2022 HydrophobicContact CB-CG 4.28Å; N1996-E2022 VanDerWaalsContact CB-OE2 3.31Å; N1996-E2022 WeakPolarHBondContact CB-OE2 3.3Å; N1996-E2022 PolarHBondContact ND2-OE2 3.31Å; L2018-E2022 WeakPolarHBondContact O-CB 3.48Å; L2018-E2022 PolarHBondContact O-N 3.39Å; E2022-S2025 PolarHBondContact O-OG 3.37Å; E2022-Y2061 WeakPolarHBondContact OE1-CE1 3.44Å; E2022-H2070 IonicContact OE1-CD2 3.04Å; E2022-H2070 IonicContact OE1-CE1 3.53Å; E2022-H2070 IonicContact OE1-NE2 3Å; E2022-H2070 PolarHBondContact OE1-NE2 3.06Å; E2022-H2070 IonicContact OE2-NE2 3.56Å; E2022-W2074 HydrophobicContact CG-CZ2 3.95Å; E2022-W2074 VanDerWaalsContact OE1-CE2 3.23Å; E2022-W2074 VanDerWaalsContact OE1-CZ2 3.24Å; E2022-W2074 WeakPolarHBondContact OE1-CZ2 3.18Å; E2022-W2074 PolarHBondContact OE1-NE1 3.43Å |
| 2023 | T | 94.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 34.2 Ų | 34.2 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -76.9 | -44.3 | -174.4 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | L2019 K2020 Q2021 L2026 L2027 A2073 W2074 C2077 | L2019-T2023 HydrophobicContact CD1-CG2 4.29Å; L2019-T2023 WeakPolarHBondContact O-CG2 3.16Å; L2019-T2023 PolarHBondContact O-N 2.71Å; L2019-T2023 PolarHBondContact O-OG1 3.34Å; K2020-T2023 PolarHBondContact O-OG1 2.98Å; Q2021-T2023 PolarHBondContact O-N 3.3Å; T2023-L2026 PolarHBondContact O-N 2.92Å; T2023-L2027 WeakPolarHBondContact O-CB 3.47Å; T2023-L2027 PolarHBondContact O-N 2.99Å; T2023-A2073 HydrophobicContact CG2-CB 4.36Å; T2023-A2073 WeakPolarHBondContact CG2-O 3.49Å; T2023-W2074 HydrophobicContact CG2-CD2 4.49Å; T2023-W2074 HydrophobicContact CG2-CG 4.14Å; T2023-C2077 PolarHBondContact O-SG 2.84Å |
| 2024 | H | 94.6 | Very high | 91.9 | Very high | 76 Ų | 76 | 24.5 Ų | 24.5 | 35% | 0.352 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -71 | -36.8 | -176.5 | -72.3 | -142.9 | 0 | 0 | 0 | 112.7 | Y1826 I1829 K2020 L2026 L2027 C2028 | Y1826-H2024 HydrophobicContact CE2-CB 4.22Å; Y1826-H2024 AromaticContact CE2-CG 4Å; Y1826-H2024 AromaticContact CE2-ND1 3.84Å; Y1826-H2024 AromaticContact CZ-ND1 3.93Å; Y1826-H2024 PolarHBondContact OH-CE1 3.16Å; Y1826-H2024 PolarHBondContact OH-ND1 3.43Å; I1829-H2024 HydrophobicContact CG2-CB 4.05Å; K2020-H2024 WeakPolarHBondContact O-CB 3.48Å; K2020-H2024 PolarHBondContact O-CD2 2.68Å; K2020-H2024 PolarHBondContact O-N 2.95Å; H2024-L2026 VanDerWaalsContact C-N 3.35Å; H2024-L2027 PolarHBondContact O-N 3.48Å; H2024-C2028 WeakPolarHBondContact O-CB 3.45Å; H2024-C2028 PolarHBondContact O-N 3.43Å |
| 2025 | S | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.6 | -41.3 | 177.3 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | L1985 H1989 Q2021 E2022 A2029 | L1985-S2025 WeakPolarHBondContact O-CB 3.31Å; H1989-S2025 WeakPolarHBondContact CA-OG 3.29Å; H1989-S2025 VanDerWaalsContact CB-OG 3.23Å; H1989-S2025 WeakPolarHBondContact CB-OG 3.25Å; H1989-S2025 PolarHBondContact N-OG 3.43Å; Q2021-S2025 VanDerWaalsContact O-CB 3.29Å; Q2021-S2025 WeakPolarHBondContact O-CB 3.19Å; Q2021-S2025 PolarHBondContact O-N 3.42Å; Q2021-S2025 VanDerWaalsContact O-N 3.08Å; Q2021-S2025 PolarHBondContact O-OG 2.88Å; E2022-S2025 PolarHBondContact O-OG 3.37Å; S2025-A2029 VanDerWaalsContact O-CB 3.32Å; S2025-A2029 WeakPolarHBondContact O-CB 3.48Å; S2025-A2029 PolarHBondContact O-N 3.21Å |
| 2026 | L | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | 174.8 | 179.5 | 60.4 | 0 | 0 | 0 | 111.4 | L1986 T2023 H2024 C2028 A2029 L2030 V2054 A2058 W2074 C2077 | L1986-L2026 HydrophobicContact CD2-CD1 4.12Å; T2023-L2026 PolarHBondContact O-N 2.92Å; H2024-L2026 VanDerWaalsContact C-N 3.35Å; L2026-C2028 VanDerWaalsContact C-N 3.34Å; L2026-C2028 PolarHBondContact O-N 3.04Å; L2026-A2029 PolarHBondContact O-N 3.43Å; L2026-L2030 HydrophobicContact CD1-CD1 3.91Å; L2026-L2030 HydrophobicContact CD1-CD2 4.49Å; L2026-L2030 HydrophobicContact CD1-CG 3.93Å; L2026-L2030 HydrophobicContact CD2-CD1 4.41Å; L2026-L2030 HydrophobicContact CG-CD1 3.72Å; L2026-L2030 HydrophobicContact CG-CG 4.22Å; L2026-L2030 WeakPolarHBondContact O-CB 3.46Å; L2026-L2030 VanDerWaalsContact O-CG 3.23Å; L2026-L2030 WeakPolarHBondContact O-CG 3.39Å; L2026-L2030 PolarHBondContact O-N 3.21Å; L2026-V2054 HydrophobicContact CD1-CG1 3.51Å; L2026-A2058 HydrophobicContact CD2-CB 4.4Å; L2026-W2074 HydrophobicContact CD2-CE3 4.22Å; L2026-W2074 HydrophobicContact CD2-CH2 3.48Å; L2026-W2074 VanDerWaalsContact CD2-CH2 3.48Å; L2026-W2074 HydrophobicContact CD2-CZ2 4.43Å; L2026-W2074 HydrophobicContact CD2-CZ3 3.33Å; L2026-C2077 HydrophobicContact CD2-CB 4.36Å |
| 2027 | L | 94.2 | Very high | 91.9 | Very high | 11 Ų | 11 | 19 Ų | 19 | 6% | 0.058 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.5 | -46.2 | -179.7 | -159.7 | 73 | 0 | 0 | 0 | 111.5 | D1846 T2023 H2024 L2030 R2031 P2076 C2077 L2080 | D1846-L2027 WeakPolarHBondContact OD2-CD2 3.4Å; T2023-L2027 WeakPolarHBondContact O-CB 3.47Å; T2023-L2027 PolarHBondContact O-N 2.99Å; H2024-L2027 PolarHBondContact O-N 3.48Å; L2027-L2030 PolarHBondContact O-N 2.89Å; L2027-R2031 WeakPolarHBondContact O-CG 3.22Å; L2027-R2031 PolarHBondContact O-N 3.47Å; L2027-P2076 HydrophobicContact CD1-CB 4.44Å; L2027-C2077 HydrophobicContact CD1-CB 4.42Å; L2027-L2080 HydrophobicContact CD1-CB 3.99Å; L2027-L2080 HydrophobicContact CD1-CD2 3.6Å; L2027-L2080 HydrophobicContact CD1-CG 4.44Å; L2027-L2080 HydrophobicContact CG-CD2 4.09Å |
| 2028 | C | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 175.9 | -173 | 0 | 0 | 0 | 0 | 111.6 | D1833 L1985 H2024 L2026 L2030 R2031 I2032 | D1833-C2028 HydrophobicContact CB-CB 4.39Å; L1985-C2028 HydrophobicContact CD1-CB 3.92Å; L1985-C2028 VanDerWaalsContact CD1-SG 3.52Å; H2024-C2028 WeakPolarHBondContact O-CB 3.45Å; H2024-C2028 PolarHBondContact O-N 3.43Å; L2026-C2028 VanDerWaalsContact C-N 3.34Å; L2026-C2028 PolarHBondContact O-N 3.04Å; C2028-L2030 PolarHBondContact O-N 2.86Å; C2028-R2031 PolarHBondContact O-N 2.74Å; C2028-I2032 WeakPolarHBondContact O-CG1 3.46Å; C2028-I2032 PolarHBondContact O-N 2.89Å; C2028-I2032 VanDerWaalsContact O-N 3.14Å |
| 2029 | A | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1985 L1986 S2025 L2026 R2031 I2032 L2033 | L1985-A2029 HydrophobicContact CB-CB 3.93Å; L1985-A2029 HydrophobicContact CD1-CB 4.44Å; L1986-A2029 HydrophobicContact CD2-CB 3.82Å; L1986-A2029 HydrophobicContact CG-CB 3.91Å; S2025-A2029 VanDerWaalsContact O-CB 3.32Å; S2025-A2029 WeakPolarHBondContact O-CB 3.48Å; S2025-A2029 PolarHBondContact O-N 3.21Å; L2026-A2029 PolarHBondContact O-N 3.43Å; A2029-R2031 PolarHBondContact O-N 3.3Å; A2029-I2032 PolarHBondContact O-N 3.04Å; A2029-L2033 WeakPolarHBondContact O-CG 3.16Å; A2029-L2033 PolarHBondContact O-N 3.05Å |
| 2030 | L | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.6 | -74 | 167.5 | 0 | 0 | 0 | 111.7 | L2026 L2027 C2028 I2032 L2033 F2034 L2051 V2054 I2055 L2080 I2081 | L2026-L2030 HydrophobicContact CD1-CD1 3.91Å; L2026-L2030 HydrophobicContact CD1-CD2 4.49Å; L2026-L2030 HydrophobicContact CD1-CG 3.93Å; L2026-L2030 HydrophobicContact CD2-CD1 4.41Å; L2026-L2030 HydrophobicContact CG-CD1 3.72Å; L2026-L2030 HydrophobicContact CG-CG 4.22Å; L2026-L2030 WeakPolarHBondContact O-CB 3.46Å; L2026-L2030 VanDerWaalsContact O-CG 3.23Å; L2026-L2030 WeakPolarHBondContact O-CG 3.39Å; L2026-L2030 PolarHBondContact O-N 3.21Å; L2027-L2030 PolarHBondContact O-N 2.89Å; C2028-L2030 PolarHBondContact O-N 2.86Å; L2030-I2032 VanDerWaalsContact C-N 3.28Å; L2030-I2032 PolarHBondContact O-N 3.15Å; L2030-L2033 PolarHBondContact O-N 3.32Å; L2030-F2034 HydrophobicContact CB-CD2 4.21Å; L2030-F2034 HydrophobicContact CB-CE2 4.19Å; L2030-F2034 HydrophobicContact CD2-CE2 4.12Å; L2030-F2034 WeakPolarHBondContact O-CB 3.1Å; L2030-F2034 WeakPolarHBondContact O-CD2 3.1Å; L2030-F2034 PolarHBondContact O-N 2.85Å; L2030-L2051 HydrophobicContact CD2-CD1 3.9Å; L2030-V2054 HydrophobicContact CD2-CG1 4.02Å; L2030-I2055 HydrophobicContact CD2-CG1 4.19Å; L2030-L2080 HydrophobicContact CB-CD2 4.09Å; L2030-I2081 HydrophobicContact CD1-CD1 3.8Å; L2030-I2081 HydrophobicContact CD1-CG1 3.55Å; L2030-I2081 HydrophobicContact CD2-CG1 4.19Å; L2030-I2081 HydrophobicContact CG-CG1 4.5Å |
| 2031 | R | 92 | Very high | 89.4 | Confident | 8 Ų | 8 | 19.8 Ų | 19.8 | 3% | 0.03 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.6 | -42.9 | 174.3 | -73.1 | -172.4 | -167.6 | 98.9 | 9.2 | 112.1 | D1833 F1837 S1842 E1845 D1846 L2027 C2028 A2029 R2035 L2080 | D1833-R2031 IonicContact OD1-NH1 3.28Å; D1833-R2031 PolarHBondContact OD1-NH1 3.49Å; D1833-R2031 VanDerWaalsContact OD1-NH1 3.11Å; F1837-R2031 HydrophobicContact CE2-CB 3.84Å; F1837-R2031 HydrophobicContact CZ-CB 3.76Å; S1842-R2031 PolarHBondContact O-NH2 3.3Å; E1845-R2031 IonicContact OE2-NE 3.91Å; D1846-R2031 IonicContact OD1-CZ 3.76Å; D1846-R2031 IonicContact OD1-NH2 3.74Å; D1846-R2031 PolarHBondContact OD1-NH2 3.27Å; D1846-R2031 IonicContact OD2-CZ 3.69Å; D1846-R2031 IonicContact OD2-NH2 2.82Å; D1846-R2031 PolarHBondContact OD2-NH2 3.42Å; L2027-R2031 WeakPolarHBondContact O-CG 3.22Å; L2027-R2031 PolarHBondContact O-N 3.47Å; C2028-R2031 PolarHBondContact O-N 2.74Å; A2029-R2031 PolarHBondContact O-N 3.3Å; R2031-R2035 WeakPolarHBondContact O-CB 3.31Å; R2031-R2035 WeakPolarHBondContact O-CD 3.22Å; R2031-R2035 WeakPolarHBondContact O-CG 3.32Å; R2031-R2035 PolarHBondContact O-N 2.89Å; R2031-L2080 HydrophobicContact CG-CD2 3.86Å |
| 2032 | I | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.2 | -47.5 | 177.2 | -61.7 | 166.2 | 0 | 0 | 0 | 110.3 | L1836 F1837 Y1970 R1978 A1982 L1985 C2028 A2029 L2030 R2035 L2036 | L1836-I2032 HydrophobicContact CD1-CD1 3.44Å; L1836-I2032 VanDerWaalsContact CD1-CD1 3.44Å; L1836-I2032 HydrophobicContact CD1-CG1 3.8Å; F1837-I2032 HydrophobicContact CE2-CG1 3.96Å; F1837-I2032 HydrophobicContact CZ-CG1 3.67Å; Y1970-I2032 HydrophobicContact CE2-CG1 4.45Å; Y1970-I2032 HydrophobicContact CE2-CG2 4.39Å; Y1970-I2032 PolarHBondContact OH-O 2.9Å; R1978-I2032 HydrophobicContact CB-CG2 3.95Å; R1978-I2032 WeakPolarHBondContact O-CG2 3.5Å; A1982-I2032 HydrophobicContact CB-CB 4.16Å; A1982-I2032 HydrophobicContact CB-CD1 4.39Å; A1982-I2032 HydrophobicContact CB-CG2 3.89Å; L1985-I2032 HydrophobicContact CD1-CD1 3.72Å; C2028-I2032 WeakPolarHBondContact O-CG1 3.46Å; C2028-I2032 PolarHBondContact O-N 2.89Å; C2028-I2032 VanDerWaalsContact O-N 3.14Å; A2029-I2032 PolarHBondContact O-N 3.04Å; L2030-I2032 VanDerWaalsContact C-N 3.28Å; L2030-I2032 PolarHBondContact O-N 3.15Å; I2032-R2035 PolarHBondContact O-N 2.99Å; I2032-L2036 HydrophobicContact CG2-CD1 3.84Å; I2032-L2036 HydrophobicContact CG2-CG 4.22Å; I2032-L2036 WeakPolarHBondContact O-CB 3.49Å; I2032-L2036 WeakPolarHBondContact O-CG 3.26Å; I2032-L2036 PolarHBondContact O-N 3.47Å |
| 2033 | L | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.9 | -44.9 | -176.7 | -69.7 | 174.6 | 0 | 0 | 0 | 112.8 | L1979 A1982 L1986 A2029 L2030 R2035 L2036 A2037 A2047 L2050 L2051 | L1979-L2033 HydrophobicContact CD1-CD2 4.06Å; A1982-L2033 HydrophobicContact CB-CD2 4.07Å; A1982-L2033 HydrophobicContact CB-CG 4.22Å; L1986-L2033 HydrophobicContact CD1-CD1 4.29Å; A2029-L2033 WeakPolarHBondContact O-CG 3.16Å; A2029-L2033 PolarHBondContact O-N 3.05Å; L2030-L2033 PolarHBondContact O-N 3.32Å; L2033-R2035 VanDerWaalsContact C-N 3.32Å; L2033-R2035 PolarHBondContact O-N 3.5Å; L2033-L2036 PolarHBondContact O-N 2.92Å; L2033-A2037 WeakPolarHBondContact O-CB 3.34Å; L2033-A2037 PolarHBondContact O-N 2.92Å; L2033-A2047 HydrophobicContact CD2-CB 4.41Å; L2033-L2050 HydrophobicContact CD1-CD2 4.42Å; L2033-L2050 HydrophobicContact CD1-CG 4.26Å; L2033-L2050 HydrophobicContact CD2-CD2 3.95Å; L2033-L2050 HydrophobicContact CD2-CG 4.41Å; L2033-L2051 HydrophobicContact CB-CD1 3.99Å; L2033-L2051 HydrophobicContact CD1-CD1 4.47Å |
| 2034 | F | 89.4 | Confident | 87.8 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.022 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.5 | -79.2 | -62.5 | 0 | 0 | 0 | 111.3 | L2030 A2037 E2038 L2051 I2055 Q2084 L2085 | L2030-F2034 HydrophobicContact CB-CD2 4.21Å; L2030-F2034 HydrophobicContact CB-CE2 4.19Å; L2030-F2034 HydrophobicContact CD2-CE2 4.12Å; L2030-F2034 WeakPolarHBondContact O-CB 3.1Å; L2030-F2034 WeakPolarHBondContact O-CD2 3.1Å; L2030-F2034 PolarHBondContact O-N 2.85Å; F2034-A2037 WeakPolarHBondContact O-CB 3.19Å; F2034-A2037 PolarHBondContact O-N 2.91Å; F2034-E2038 WeakPolarHBondContact O-CG 3.47Å; F2034-E2038 PolarHBondContact O-N 3.39Å; F2034-L2051 HydrophobicContact CD1-CD1 4.19Å; F2034-L2051 HydrophobicContact CD1-CD2 3.68Å; F2034-L2051 HydrophobicContact CD2-CD1 4.36Å; F2034-L2051 HydrophobicContact CE1-CD1 3.98Å; F2034-L2051 HydrophobicContact CE1-CD2 3.67Å; F2034-L2051 HydrophobicContact CE1-CG 4.27Å; F2034-L2051 HydrophobicContact CE2-CD1 4.13Å; F2034-L2051 HydrophobicContact CG-CD1 4.37Å; F2034-L2051 HydrophobicContact CG-CD2 4.47Å; F2034-L2051 HydrophobicContact CZ-CD1 3.94Å; F2034-L2051 HydrophobicContact CZ-CD2 4.44Å; F2034-I2055 HydrophobicContact CE1-CD1 4.28Å; F2034-I2055 HydrophobicContact CZ-CD1 3.81Å; F2034-Q2084 HydrophobicContact CD1-CB 3.74Å; F2034-Q2084 HydrophobicContact CD2-CB 3.83Å; F2034-Q2084 HydrophobicContact CD2-CG 3.98Å; F2034-Q2084 HydrophobicContact CE1-CB 3.63Å; F2034-Q2084 HydrophobicContact CE2-CB 3.74Å; F2034-Q2084 HydrophobicContact CE2-CG 4.21Å; F2034-Q2084 HydrophobicContact CG-CB 3.85Å; F2034-Q2084 HydrophobicContact CG-CG 4.18Å; F2034-Q2084 HydrophobicContact CZ-CB 3.64Å; F2034-L2085 HydrophobicContact CE1-CD2 4.26Å; F2034-L2085 HydrophobicContact CE1-CG 4.39Å; F2034-L2085 HydrophobicContact CZ-CG 4.39Å |
| 2035 | R | 87.7 | Confident | 87.4 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69 | -39.6 | 177.3 | -69.1 | 173.3 | -173.1 | -146.1 | 3.6 | 112.4 | F1837 E1845 Y1970 R2031 I2032 L2033 A2037 E2038 E2039 | F1837-R2035 VanDerWaalsContact CD1-NH1 3.33Å; E1845-R2035 IonicContact OE1-NH2 3.58Å; E1845-R2035 IonicContact OE2-NH2 2.67Å; E1845-R2035 PolarHBondContact OE2-NH2 3.27Å; E1845-R2035 VanDerWaalsContact OE2-NH2 3.15Å; Y1970-R2035 HydrophobicContact CE1-CB 4.06Å; Y1970-R2035 HydrophobicContact CE2-CB 4.37Å; Y1970-R2035 WeakPolarHBondContact OH-CB 3.43Å; R2031-R2035 WeakPolarHBondContact O-CB 3.31Å; R2031-R2035 WeakPolarHBondContact O-CD 3.22Å; R2031-R2035 WeakPolarHBondContact O-CG 3.32Å; R2031-R2035 PolarHBondContact O-N 2.89Å; I2032-R2035 PolarHBondContact O-N 2.99Å; L2033-R2035 VanDerWaalsContact C-N 3.32Å; L2033-R2035 PolarHBondContact O-N 3.5Å; R2035-A2037 VanDerWaalsContact C-N 3.27Å; R2035-A2037 PolarHBondContact O-N 2.94Å; R2035-E2038 PolarHBondContact O-N 3.47Å; R2035-E2039 WeakPolarHBondContact O-CG 3.34Å; R2035-E2039 PolarHBondContact O-N 3.09Å; R2035-E2039 VanDerWaalsContact O-N 3.13Å |
| 2036 | L | 87.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -33.3 | 172.7 | -79.3 | 178.1 | 0 | 0 | 0 | 112.7 | Y1970 P1975 R1978 L1979 I2032 L2033 I2043 A2047 | Y1970-L2036 PolarHBondContact OH-N 3.36Å; P1975-L2036 HydrophobicContact CB-CD2 3.99Å; R1978-L2036 HydrophobicContact CB-CD1 4.09Å; R1978-L2036 HydrophobicContact CB-CD2 4.12Å; R1978-L2036 HydrophobicContact CB-CG 4.34Å; L1979-L2036 HydrophobicContact CB-CD1 3.97Å; L1979-L2036 HydrophobicContact CD1-CD1 4.39Å; I2032-L2036 HydrophobicContact CG2-CD1 3.84Å; I2032-L2036 HydrophobicContact CG2-CG 4.22Å; I2032-L2036 WeakPolarHBondContact O-CB 3.49Å; I2032-L2036 WeakPolarHBondContact O-CG 3.26Å; I2032-L2036 PolarHBondContact O-N 3.47Å; L2033-L2036 PolarHBondContact O-N 2.92Å; L2036-I2043 HydrophobicContact CD1-CD1 4.2Å; L2036-I2043 HydrophobicContact CD2-CD1 4.02Å; L2036-A2047 HydrophobicContact CB-CB 4.12Å |
| 2037 | A | 77.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.1 | -35.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2033 F2034 R2035 R2044 D2048 L2051 R2093 | L2033-A2037 WeakPolarHBondContact O-CB 3.34Å; L2033-A2037 PolarHBondContact O-N 2.92Å; F2034-A2037 WeakPolarHBondContact O-CB 3.19Å; F2034-A2037 PolarHBondContact O-N 2.91Å; R2035-A2037 VanDerWaalsContact C-N 3.27Å; R2035-A2037 PolarHBondContact O-N 2.94Å; A2037-R2044 WeakPolarHBondContact O-CD 3.48Å; A2037-R2044 WeakPolarHBondContact O-CG 3.4Å; A2037-D2048 WeakPolarHBondContact CB-OD1 3.39Å; A2037-L2051 HydrophobicContact CB-CD2 4.45Å; A2037-R2093 VanDerWaalsContact C-NH1 3.32Å; A2037-R2093 PolarHBondContact O-NH1 3.43Å |
| 2038 | E | 78.2 | Confident | 86.2 | Confident | 97 Ų | 97 | 39.7 Ų | 39.7 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -71.3 | -36.7 | 175.1 | -73.8 | -179.8 | 172.6 | 0 | 0 | 112.8 | F2034 R2035 | F2034-E2038 WeakPolarHBondContact O-CG 3.47Å; F2034-E2038 PolarHBondContact O-N 3.39Å; R2035-E2038 PolarHBondContact O-N 3.47Å |
| 2039 | E | 77.9 | Confident | 85.9 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 29% | 0.285 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -72.4 | 133.3 | -179.6 | -70.7 | 178.5 | -169.7 | 0 | 0 | 112.6 | Y1970 R1978 R2035 S2041 R2044 | Y1970-E2039 WeakPolarHBondContact CE1-OE1 3.47Å; R1978-E2039 IonicContact CZ-OE2 2.79Å; R1978-E2039 IonicContact NH1-OE1 3.65Å; R1978-E2039 PolarHBondContact NH1-OE1 2.82Å; R1978-E2039 IonicContact NH1-OE2 2.62Å; R1978-E2039 PolarHBondContact NH1-OE2 3.41Å; R2035-E2039 WeakPolarHBondContact O-CG 3.34Å; R2035-E2039 PolarHBondContact O-N 3.09Å; R2035-E2039 VanDerWaalsContact O-N 3.13Å; E2039-S2041 PolarHBondContact O-N 3.38Å; E2039-R2044 WeakPolarHBondContact O-CD 3.24Å |
| 2040 | A | 74.4 | Confident | 85.7 | Confident | 95 Ų | 95 | 47.3 Ų | 47.3 | 79% | 0.785 | 24% | 0.242 | S | C | * | . | trans | -72.5 | 96.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2041 | S | 82.3 | Confident | 85.6 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | trans | -139 | 158.1 | 179.3 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | E2039 I2043 R2044 | E2039-S2041 PolarHBondContact O-N 3.38Å; S2041-I2043 PolarHBondContact O-N 2.76Å; S2041-I2043 VanDerWaalsContact O-N 3.17Å; S2041-I2043 VanDerWaalsContact OG-CG1 3.27Å; S2041-I2043 WeakPolarHBondContact OG-CG1 3.35Å; S2041-R2044 WeakPolarHBondContact O-CB 3.27Å; S2041-R2044 PolarHBondContact O-N 3.28Å; S2041-R2044 PolarHBondContact OG-N 2.67Å | ||
| 2042 | D | 80.7 | Confident | 85.5 | Confident | 168 Ų | 168 | 47.8 Ų | 47.8 | 90% | 0.898 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.2 | 178.4 | -60 | -24.5 | 0 | 0 | 0 | 113 | ||
| 2043 | I | 85.2 | Confident | 85.5 | Confident | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -2.4 | 178.2 | 62.6 | 156.9 | 0 | 0 | 0 | 113.1 | P1975 L1979 L2036 S2041 E2045 Q2046 A2047 | P1975-I2043 HydrophobicContact CB-CD1 3.46Å; P1975-I2043 VanDerWaalsContact CB-CD1 3.46Å; P1975-I2043 HydrophobicContact CB-CG1 3.8Å; P1975-I2043 WeakPolarHBondContact O-CD1 3.28Å; L1979-I2043 HydrophobicContact CB-CD1 3.85Å; L1979-I2043 HydrophobicContact CD2-CB 4.22Å; L1979-I2043 HydrophobicContact CD2-CD1 4.06Å; L1979-I2043 HydrophobicContact CD2-CG2 4.48Å; L2036-I2043 HydrophobicContact CD1-CD1 4.2Å; L2036-I2043 HydrophobicContact CD2-CD1 4.02Å; S2041-I2043 PolarHBondContact O-N 2.76Å; S2041-I2043 VanDerWaalsContact O-N 3.17Å; S2041-I2043 VanDerWaalsContact OG-CG1 3.27Å; S2041-I2043 WeakPolarHBondContact OG-CG1 3.35Å; I2043-E2045 VanDerWaalsContact C-N 3.28Å; I2043-E2045 PolarHBondContact O-N 3.21Å; I2043-Q2046 WeakPolarHBondContact O-CB 3.28Å; I2043-Q2046 PolarHBondContact O-N 3.05Å; I2043-Q2046 VanDerWaalsContact O-N 3.12Å; I2043-A2047 PolarHBondContact O-N 3.09Å |
| 2044 | R | 84.2 | Confident | 85.6 | Confident | 99 Ų | 99 | 54.7 Ų | 54.7 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.7 | -40.3 | -176.2 | -179.7 | 174.6 | 60.4 | -178.8 | 0.1 | 112.3 | A2037 E2039 S2041 A2047 D2048 | A2037-R2044 WeakPolarHBondContact O-CD 3.48Å; A2037-R2044 WeakPolarHBondContact O-CG 3.4Å; E2039-R2044 WeakPolarHBondContact O-CD 3.24Å; S2041-R2044 WeakPolarHBondContact O-CB 3.27Å; S2041-R2044 PolarHBondContact O-N 3.28Å; S2041-R2044 PolarHBondContact OG-N 2.67Å; R2044-A2047 PolarHBondContact O-N 3.02Å; R2044-D2048 WeakPolarHBondContact O-CB 3Å; R2044-D2048 PolarHBondContact O-N 3.41Å |
| 2045 | E | 85.1 | Confident | 85.7 | Confident | 129 Ų | 129 | 54.4 Ų | 54.4 | 60% | 0.603 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.2 | -40.6 | 178.6 | -170.9 | 163 | -146.1 | 0 | 0 | 111.7 | I2043 A2047 D2048 E2049 | I2043-E2045 VanDerWaalsContact C-N 3.28Å; I2043-E2045 PolarHBondContact O-N 3.21Å; E2045-A2047 VanDerWaalsContact C-N 3.33Å; E2045-A2047 PolarHBondContact O-N 2.93Å; E2045-D2048 PolarHBondContact O-N 3.41Å; E2045-E2049 WeakPolarHBondContact O-CG 3.25Å; E2045-E2049 PolarHBondContact O-N 3.34Å |
| 2046 | Q | 86.6 | Confident | 85.9 | Confident | 100 Ų | 100 | 55.7 Ų | 55.7 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 173.1 | -61.4 | -179.4 | 23.7 | 0 | 0 | 111.9 | I2043 L2050 | I2043-Q2046 WeakPolarHBondContact O-CB 3.28Å; I2043-Q2046 PolarHBondContact O-N 3.05Å; I2043-Q2046 VanDerWaalsContact O-N 3.12Å; Q2046-L2050 VanDerWaalsContact O-CB 3.24Å; Q2046-L2050 WeakPolarHBondContact O-CB 3.39Å; Q2046-L2050 PolarHBondContact O-N 3.11Å |
| 2047 | A | 87.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L2033 L2036 I2043 R2044 E2045 L2050 L2051 | L2033-A2047 HydrophobicContact CD2-CB 4.41Å; L2036-A2047 HydrophobicContact CB-CB 4.12Å; I2043-A2047 PolarHBondContact O-N 3.09Å; R2044-A2047 PolarHBondContact O-N 3.02Å; E2045-A2047 VanDerWaalsContact C-N 3.33Å; E2045-A2047 PolarHBondContact O-N 2.93Å; A2047-L2050 PolarHBondContact O-N 3.28Å; A2047-L2051 WeakPolarHBondContact O-CB 3.5Å; A2047-L2051 PolarHBondContact O-N 3.07Å |
| 2048 | D | 86.7 | Confident | 86.8 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 177.5 | -81.8 | 1.3 | 0 | 0 | 0 | 112 | A2037 R2044 E2045 L2051 D2052 R2093 H2097 | A2037-D2048 WeakPolarHBondContact CB-OD1 3.39Å; R2044-D2048 WeakPolarHBondContact O-CB 3Å; R2044-D2048 PolarHBondContact O-N 3.41Å; E2045-D2048 PolarHBondContact O-N 3.41Å; D2048-L2051 WeakPolarHBondContact O-CB 3.37Å; D2048-L2051 PolarHBondContact O-N 3.07Å; D2048-D2052 PolarHBondContact O-N 3.47Å; D2048-R2093 IonicContact OD1-CZ 3.2Å; D2048-R2093 IonicContact OD1-NE 3.45Å; D2048-R2093 IonicContact OD1-NH2 2.96Å; D2048-R2093 PolarHBondContact OD1-NH2 3.34Å; D2048-R2093 IonicContact OD2-CZ 3.52Å; D2048-R2093 IonicContact OD2-NE 2.7Å; D2048-R2093 PolarHBondContact OD2-NE 2.89Å; D2048-R2093 VanDerWaalsContact OD2-NE 3.09Å; D2048-R2093 IonicContact OD2-NH2 3.54Å; D2048-R2093 PolarHBondContact OD2-NH2 2.85Å; D2048-R2093 VanDerWaalsContact OD2-NH2 3.08Å; D2048-H2097 IonicContact OD1-CE1 3.58Å; D2048-H2097 IonicContact OD1-NE2 2.75Å; D2048-H2097 IonicContact OD2-NE2 3.86Å |
| 2049 | E | 88.4 | Confident | 87.4 | Confident | 119 Ų | 119 | 54.3 Ų | 54.3 | 56% | 0.556 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 175.9 | -74.2 | -178.4 | 173.6 | 0 | 0 | 111.9 | E2045 L2051 D2052 H2053 | E2045-E2049 WeakPolarHBondContact O-CG 3.25Å; E2045-E2049 PolarHBondContact O-N 3.34Å; E2049-L2051 VanDerWaalsContact C-N 3.33Å; E2049-D2052 PolarHBondContact O-N 2.87Å; E2049-H2053 PolarHBondContact O-N 3.35Å; E2049-H2053 VanDerWaalsContact O-N 3.09Å |
| 2050 | L | 91.6 | Very high | 87.9 | Confident | 41 Ų | 41 | 56.3 Ų | 56.3 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 176.3 | -176.2 | 58.6 | 0 | 0 | 0 | 111.3 | L1979 K1983 L1986 L2033 Q2046 A2047 H2053 V2054 | L1979-L2050 HydrophobicContact CD1-CD2 4.13Å; K1983-L2050 HydrophobicContact CG-CD2 4.1Å; L1986-L2050 HydrophobicContact CD1-CD1 4.06Å; L1986-L2050 HydrophobicContact CD1-CD2 3.99Å; L1986-L2050 HydrophobicContact CD1-CG 4.08Å; L2033-L2050 HydrophobicContact CD1-CD2 4.42Å; L2033-L2050 HydrophobicContact CD1-CG 4.26Å; L2033-L2050 HydrophobicContact CD2-CD2 3.95Å; L2033-L2050 HydrophobicContact CD2-CG 4.41Å; Q2046-L2050 VanDerWaalsContact O-CB 3.24Å; Q2046-L2050 WeakPolarHBondContact O-CB 3.39Å; Q2046-L2050 PolarHBondContact O-N 3.11Å; A2047-L2050 PolarHBondContact O-N 3.28Å; L2050-H2053 PolarHBondContact O-N 2.89Å; L2050-V2054 HydrophobicContact CD1-CG2 4.12Å; L2050-V2054 HydrophobicContact CG-CG2 4.33Å; L2050-V2054 WeakPolarHBondContact O-CB 3.19Å; L2050-V2054 WeakPolarHBondContact O-CG2 3.22Å; L2050-V2054 PolarHBondContact O-N 3.48Å |
| 2051 | L | 90.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 177.1 | -177.5 | 66 | 0 | 0 | 0 | 111.4 | L2030 L2033 F2034 A2037 A2047 D2048 E2049 H2053 V2054 I2055 | L2030-L2051 HydrophobicContact CD2-CD1 3.9Å; L2033-L2051 HydrophobicContact CB-CD1 3.99Å; L2033-L2051 HydrophobicContact CD1-CD1 4.47Å; F2034-L2051 HydrophobicContact CD1-CD1 4.19Å; F2034-L2051 HydrophobicContact CD1-CD2 3.68Å; F2034-L2051 HydrophobicContact CD2-CD1 4.36Å; F2034-L2051 HydrophobicContact CE1-CD1 3.98Å; F2034-L2051 HydrophobicContact CE1-CD2 3.67Å; F2034-L2051 HydrophobicContact CE1-CG 4.27Å; F2034-L2051 HydrophobicContact CE2-CD1 4.13Å; F2034-L2051 HydrophobicContact CG-CD1 4.37Å; F2034-L2051 HydrophobicContact CG-CD2 4.47Å; F2034-L2051 HydrophobicContact CZ-CD1 3.94Å; F2034-L2051 HydrophobicContact CZ-CD2 4.44Å; A2037-L2051 HydrophobicContact CB-CD2 4.45Å; A2047-L2051 WeakPolarHBondContact O-CB 3.5Å; A2047-L2051 PolarHBondContact O-N 3.07Å; D2048-L2051 WeakPolarHBondContact O-CB 3.37Å; D2048-L2051 PolarHBondContact O-N 3.07Å; E2049-L2051 VanDerWaalsContact C-N 3.33Å; L2051-H2053 VanDerWaalsContact C-N 3.34Å; L2051-H2053 PolarHBondContact O-N 2.88Å; L2051-V2054 PolarHBondContact O-N 3.36Å; L2051-I2055 HydrophobicContact CD1-CD1 3.68Å; L2051-I2055 HydrophobicContact CD1-CG1 4.13Å; L2051-I2055 HydrophobicContact CD2-CD1 4.48Å; L2051-I2055 HydrophobicContact CG-CD1 3.69Å; L2051-I2055 HydrophobicContact CG-CG1 4.44Å; L2051-I2055 WeakPolarHBondContact O-CB 3.35Å; L2051-I2055 VanDerWaalsContact O-CG1 3.24Å; L2051-I2055 WeakPolarHBondContact O-CG1 3.25Å; L2051-I2055 PolarHBondContact O-N 3.28Å |
| 2052 | D | 90.1 | Very high | 89 | Confident | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.7 | -47.7 | 175.1 | -81.8 | -31.9 | 0 | 0 | 0 | 111.4 | D2048 E2049 V2054 L2056 H2097 | D2048-D2052 PolarHBondContact O-N 3.47Å; E2049-D2052 PolarHBondContact O-N 2.87Å; D2052-V2054 PolarHBondContact O-N 3.34Å; D2052-L2056 VanDerWaalsContact O-CB 3.27Å; D2052-L2056 WeakPolarHBondContact O-CB 3.28Å; D2052-L2056 PolarHBondContact O-N 2.93Å; D2052-H2097 IonicContact OD1-CE1 2.85Å; D2052-H2097 IonicContact OD1-CG 3.72Å; D2052-H2097 IonicContact OD1-ND1 3.48Å; D2052-H2097 PolarHBondContact OD1-ND1 3.39Å; D2052-H2097 IonicContact OD2-CE1 3.24Å; D2052-H2097 IonicContact OD2-ND1 2.67Å; D2052-H2097 PolarHBondContact OD2-ND1 3.41Å |
| 2053 | H | 92.5 | Very high | 89.2 | Confident | 132 Ų | 132 | 48 Ų | 48 | 61% | 0.611 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.7 | -47.6 | 178.6 | -175.4 | 67.1 | 0 | 0 | 0 | 112.2 | E2049 L2050 L2051 D2057 | E2049-H2053 PolarHBondContact O-N 3.35Å; E2049-H2053 VanDerWaalsContact O-N 3.09Å; L2050-H2053 PolarHBondContact O-N 2.89Å; L2051-H2053 VanDerWaalsContact C-N 3.34Å; L2051-H2053 PolarHBondContact O-N 2.88Å; H2053-D2057 WeakPolarHBondContact O-CB 3.44Å; H2053-D2057 PolarHBondContact O-N 2.92Å |
| 2054 | V | 93.9 | Very high | 89.2 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -43.2 | -178.3 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | L1986 L2026 L2030 L2050 L2051 D2052 A2058 | L1986-V2054 HydrophobicContact CD1-CG2 3.64Å; L1986-V2054 HydrophobicContact CD2-CG1 3.87Å; L1986-V2054 HydrophobicContact CD2-CG2 3.75Å; L1986-V2054 HydrophobicContact CG-CG2 4.35Å; L2026-V2054 HydrophobicContact CD1-CG1 3.51Å; L2030-V2054 HydrophobicContact CD2-CG1 4.02Å; L2050-V2054 HydrophobicContact CD1-CG2 4.12Å; L2050-V2054 HydrophobicContact CG-CG2 4.33Å; L2050-V2054 WeakPolarHBondContact O-CB 3.19Å; L2050-V2054 WeakPolarHBondContact O-CG2 3.22Å; L2050-V2054 PolarHBondContact O-N 3.48Å; L2051-V2054 PolarHBondContact O-N 3.36Å; D2052-V2054 PolarHBondContact O-N 3.34Å; V2054-A2058 VanDerWaalsContact O-CB 3.28Å; V2054-A2058 WeakPolarHBondContact O-CB 3.28Å; V2054-A2058 PolarHBondContact O-N 2.91Å |
| 2055 | I | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.9 | -43.2 | 179.8 | -67.2 | 168.7 | 0 | 0 | 0 | 110.8 | L2030 F2034 L2051 D2057 A2058 F2059 I2081 L2085 L2101 | L2030-I2055 HydrophobicContact CD2-CG1 4.19Å; F2034-I2055 HydrophobicContact CE1-CD1 4.28Å; F2034-I2055 HydrophobicContact CZ-CD1 3.81Å; L2051-I2055 HydrophobicContact CD1-CD1 3.68Å; L2051-I2055 HydrophobicContact CD1-CG1 4.13Å; L2051-I2055 HydrophobicContact CD2-CD1 4.48Å; L2051-I2055 HydrophobicContact CG-CD1 3.69Å; L2051-I2055 HydrophobicContact CG-CG1 4.44Å; L2051-I2055 WeakPolarHBondContact O-CB 3.35Å; L2051-I2055 VanDerWaalsContact O-CG1 3.24Å; L2051-I2055 WeakPolarHBondContact O-CG1 3.25Å; L2051-I2055 PolarHBondContact O-N 3.28Å; I2055-D2057 VanDerWaalsContact C-N 3.34Å; I2055-D2057 PolarHBondContact O-N 3.47Å; I2055-A2058 WeakPolarHBondContact O-CB 3.4Å; I2055-A2058 PolarHBondContact O-N 2.95Å; I2055-F2059 HydrophobicContact CG2-CD1 4.47Å; I2055-F2059 HydrophobicContact CG2-CD2 4.05Å; I2055-F2059 HydrophobicContact CG2-CE1 4.08Å; I2055-F2059 HydrophobicContact CG2-CE2 3.6Å; I2055-F2059 HydrophobicContact CG2-CG 4.47Å; I2055-F2059 HydrophobicContact CG2-CZ 3.62Å; I2055-F2059 WeakPolarHBondContact O-CG 3.33Å; I2055-F2059 PolarHBondContact O-N 3.16Å; I2055-I2081 HydrophobicContact CB-CG2 4.36Å; I2055-I2081 HydrophobicContact CD1-CG2 4.08Å; I2055-I2081 HydrophobicContact CG1-CD1 4.45Å; I2055-I2081 HydrophobicContact CG1-CG1 4.3Å; I2055-I2081 HydrophobicContact CG1-CG2 3.96Å; I2055-I2081 HydrophobicContact CG2-CG2 3.52Å; I2055-L2085 HydrophobicContact CD1-CD1 4.22Å; I2055-L2085 HydrophobicContact CD1-CD2 3.96Å; I2055-L2085 HydrophobicContact CD1-CG 4.21Å; I2055-L2085 HydrophobicContact CG2-CD1 4.33Å; I2055-L2101 HydrophobicContact CB-CD1 4.21Å; I2055-L2101 HydrophobicContact CB-CD2 4.01Å; I2055-L2101 HydrophobicContact CD1-CD1 4.09Å; I2055-L2101 HydrophobicContact CG2-CD1 3.83Å; I2055-L2101 HydrophobicContact CG2-CD2 3.83Å; I2055-L2101 HydrophobicContact CG2-CG 4.4Å |
| 2056 | L | 91.9 | Very high | 89 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -46 | 178.2 | -168.5 | 68.5 | 0 | 0 | 0 | 110.5 | D2052 A2058 F2059 H2060 L2101 | D2052-L2056 VanDerWaalsContact O-CB 3.27Å; D2052-L2056 WeakPolarHBondContact O-CB 3.28Å; D2052-L2056 PolarHBondContact O-N 2.93Å; L2056-A2058 VanDerWaalsContact C-N 3.31Å; L2056-A2058 PolarHBondContact O-N 3.18Å; L2056-F2059 PolarHBondContact O-N 3.39Å; L2056-H2060 PolarHBondContact O-N 2.95Å; L2056-H2060 PolarHBondContact O-ND1 3.1Å; L2056-L2101 HydrophobicContact CB-CD2 4Å; L2056-L2101 HydrophobicContact CD1-CD2 4.31Å |
| 2057 | D | 91.7 | Very high | 88.7 | Confident | 65 Ų | 65 | 47.1 Ų | 47.1 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.8 | -38 | 175.2 | -177.6 | 48.3 | 0 | 0 | 0 | 112.2 | K1993 H2053 I2055 Y2061 | K1993-D2057 IonicContact NZ-OD1 2.74Å; K1993-D2057 PolarHBondContact NZ-OD1 2.81Å; K1993-D2057 IonicContact NZ-OD2 2.58Å; K1993-D2057 PolarHBondContact NZ-OD2 3.25Å; H2053-D2057 WeakPolarHBondContact O-CB 3.44Å; H2053-D2057 PolarHBondContact O-N 2.92Å; I2055-D2057 VanDerWaalsContact C-N 3.34Å; I2055-D2057 PolarHBondContact O-N 3.47Å; D2057-Y2061 WeakPolarHBondContact O-CB 3.14Å; D2057-Y2061 PolarHBondContact O-N 3.1Å |
| 2058 | A | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2026 V2054 I2055 L2056 Y2061 Y2062 W2074 I2081 | L2026-A2058 HydrophobicContact CD2-CB 4.4Å; V2054-A2058 VanDerWaalsContact O-CB 3.28Å; V2054-A2058 WeakPolarHBondContact O-CB 3.28Å; V2054-A2058 PolarHBondContact O-N 2.91Å; I2055-A2058 WeakPolarHBondContact O-CB 3.4Å; I2055-A2058 PolarHBondContact O-N 2.95Å; L2056-A2058 VanDerWaalsContact C-N 3.31Å; L2056-A2058 PolarHBondContact O-N 3.18Å; A2058-Y2061 PolarHBondContact O-N 3.4Å; A2058-Y2062 VanDerWaalsContact O-CB 3.31Å; A2058-Y2062 WeakPolarHBondContact O-CB 3.24Å; A2058-Y2062 PolarHBondContact O-N 3.37Å; A2058-W2074 HydrophobicContact CB-CZ3 3.84Å; A2058-I2081 HydrophobicContact CB-CD1 4.04Å |
| 2059 | F | 90.9 | Very high | 87.8 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 176.8 | -69.2 | -18.4 | 0 | 0 | 0 | 112.1 | I2055 L2056 Y2061 Y2062 H2063 L2078 I2081 I2082 L2101 L2105 L2108 | I2055-F2059 HydrophobicContact CG2-CD1 4.47Å; I2055-F2059 HydrophobicContact CG2-CD2 4.05Å; I2055-F2059 HydrophobicContact CG2-CE1 4.08Å; I2055-F2059 HydrophobicContact CG2-CE2 3.6Å; I2055-F2059 HydrophobicContact CG2-CG 4.47Å; I2055-F2059 HydrophobicContact CG2-CZ 3.62Å; I2055-F2059 WeakPolarHBondContact O-CG 3.33Å; I2055-F2059 PolarHBondContact O-N 3.16Å; L2056-F2059 PolarHBondContact O-N 3.39Å; F2059-Y2061 VanDerWaalsContact C-N 3.31Å; F2059-Y2061 PolarHBondContact O-N 2.97Å; F2059-Y2062 PolarHBondContact O-N 2.82Å; F2059-H2063 WeakPolarHBondContact O-CB 3.36Å; F2059-H2063 PolarHBondContact O-N 3.34Å; F2059-L2078 HydrophobicContact CD1-CD2 3.87Å; F2059-L2078 HydrophobicContact CE1-CD2 3.94Å; F2059-I2081 HydrophobicContact CE1-CG2 3.87Å; F2059-I2081 HydrophobicContact CZ-CG2 3.8Å; F2059-I2082 HydrophobicContact CE1-CG1 4.39Å; F2059-I2082 HydrophobicContact CZ-CG1 4.33Å; F2059-L2101 HydrophobicContact CE2-CB 4.42Å; F2059-L2105 HydrophobicContact CE1-CD1 4.38Å; F2059-L2105 HydrophobicContact CE2-CB 4.32Å; F2059-L2105 HydrophobicContact CE2-CD1 3.96Å; F2059-L2105 HydrophobicContact CZ-CD1 3.77Å; F2059-L2108 HydrophobicContact CB-CD1 4.11Å; F2059-L2108 HydrophobicContact CB-CG 4.44Å; F2059-L2108 HydrophobicContact CD1-CD1 3.55Å; F2059-L2108 HydrophobicContact CE1-CD1 4.04Å; F2059-L2108 HydrophobicContact CG-CD1 3.83Å |
| 2060 | H | 89.4 | Confident | 87.7 | Confident | 102 Ų | 102 | 49.3 Ų | 49.3 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.7 | -76.4 | 83.5 | 0 | 0 | 0 | 111.4 | L2056 H2063 G2064 | L2056-H2060 PolarHBondContact O-N 2.95Å; L2056-H2060 PolarHBondContact O-ND1 3.1Å; H2060-H2063 PolarHBondContact O-N 3.45Å; H2060-G2064 PolarHBondContact O-N 3.2Å |
| 2061 | Y | 90.1 | Very high | 87.4 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 11% | 0.106 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -49 | 178.9 | -172.2 | -111.3 | 0 | 0 | 0 | 111.7 | K1993 S1997 E2022 D2057 A2058 F2059 H2063 G2064 L2065 W2074 | K1993-Y2061 HydrophobicContact CD-CD1 4.32Å; K1993-Y2061 HydrophobicContact CD-CD2 3.91Å; K1993-Y2061 HydrophobicContact CD-CE1 4.43Å; K1993-Y2061 HydrophobicContact CD-CE2 4.01Å; K1993-Y2061 HydrophobicContact CD-CG 4.04Å; K1993-Y2061 HydrophobicContact CG-CD2 4.11Å; K1993-Y2061 HydrophobicContact CG-CE1 4.22Å; K1993-Y2061 HydrophobicContact CG-CE2 3.67Å; S1997-Y2061 WeakPolarHBondContact OG-CE2 3.35Å; S1997-Y2061 PolarHBondContact OG-OH 2.92Å; E2022-Y2061 WeakPolarHBondContact OE1-CE1 3.44Å; D2057-Y2061 WeakPolarHBondContact O-CB 3.14Å; D2057-Y2061 PolarHBondContact O-N 3.1Å; A2058-Y2061 PolarHBondContact O-N 3.4Å; F2059-Y2061 VanDerWaalsContact C-N 3.31Å; F2059-Y2061 PolarHBondContact O-N 2.97Å; Y2061-H2063 VanDerWaalsContact C-N 3.31Å; Y2061-H2063 PolarHBondContact O-N 3.43Å; Y2061-G2064 PolarHBondContact O-N 2.87Å; Y2061-L2065 HydrophobicContact CD1-CD2 4.33Å; Y2061-L2065 HydrophobicContact CD1-CG 4.49Å; Y2061-L2065 HydrophobicContact CE1-CD1 4.45Å; Y2061-L2065 HydrophobicContact CE1-CD2 3.75Å; Y2061-L2065 HydrophobicContact CE1-CG 4.35Å; Y2061-L2065 WeakPolarHBondContact O-CG 3.27Å; Y2061-L2065 PolarHBondContact O-N 3.35Å; Y2061-W2074 AromaticContact CD1-CE2 3.91Å; Y2061-W2074 AromaticContact CD1-CH2 3.72Å; Y2061-W2074 HydrophobicContact CD1-CH2 3.72Å; Y2061-W2074 AromaticContact CD1-CZ2 3.34Å; Y2061-W2074 HydrophobicContact CD1-CZ2 3.34Å; Y2061-W2074 HydrophobicContact CE1-CH2 4.4Å; Y2061-W2074 AromaticContact CE1-CZ2 3.59Å; Y2061-W2074 HydrophobicContact CE1-CZ2 3.59Å |
| 2062 | Y | 88.5 | Confident | 87.1 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 178.5 | -176.4 | -88.9 | 0 | 0 | 0 | 112.2 | A2058 F2059 G2064 L2065 R2071 W2074 L2078 L2108 M2111 G2114 I2115 | A2058-Y2062 VanDerWaalsContact O-CB 3.31Å; A2058-Y2062 WeakPolarHBondContact O-CB 3.24Å; A2058-Y2062 PolarHBondContact O-N 3.37Å; F2059-Y2062 PolarHBondContact O-N 2.82Å; Y2062-G2064 PolarHBondContact O-N 3.15Å; Y2062-L2065 HydrophobicContact CD2-CD1 4.07Å; Y2062-L2065 WeakPolarHBondContact O-CB 3.43Å; Y2062-L2065 PolarHBondContact O-N 2.85Å; Y2062-L2065 VanDerWaalsContact O-N 3.13Å; Y2062-R2071 HydrophobicContact CE2-CB 3.94Å; Y2062-R2071 HydrophobicContact CE2-CG 4.21Å; Y2062-R2071 WeakPolarHBondContact CE2-O 3.45Å; Y2062-W2074 HydrophobicContact CD2-CB 3.61Å; Y2062-W2074 HydrophobicContact CD2-CG 4.17Å; Y2062-W2074 HydrophobicContact CE2-CB 3.79Å; Y2062-L2078 HydrophobicContact CD1-CD1 3.75Å; Y2062-L2078 HydrophobicContact CD2-CD1 3.56Å; Y2062-L2078 HydrophobicContact CD2-CG 4.24Å; Y2062-L2078 HydrophobicContact CE1-CD1 3.69Å; Y2062-L2078 HydrophobicContact CE2-CD1 3.46Å; Y2062-L2078 VanDerWaalsContact CE2-CD1 3.46Å; Y2062-L2078 HydrophobicContact CE2-CG 4.43Å; Y2062-L2078 HydrophobicContact CG-CD1 3.69Å; Y2062-L2078 HydrophobicContact CG-CD2 4.49Å; Y2062-L2078 HydrophobicContact CG-CG 4.45Å; Y2062-L2108 HydrophobicContact CD1-CD2 3.71Å; Y2062-L2108 HydrophobicContact CE1-CD2 4.47Å; Y2062-M2111 HydrophobicContact CD1-CE 4.07Å; Y2062-M2111 HydrophobicContact CE1-CE 4.2Å; Y2062-G2114 PolarHBondContact OH-O 3.31Å; Y2062-I2115 HydrophobicContact CE1-CG1 4.35Å |
| 2063 | H | 86.1 | Confident | 87 | Confident | 85 Ų | 85 | 55.3 Ų | 55.3 | 39% | 0.394 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.8 | -39.7 | 174.2 | 178.7 | -85.2 | 0 | 0 | 0 | 112.3 | F2059 H2060 Y2061 L2065 D2107 L2108 M2111 | F2059-H2063 WeakPolarHBondContact O-CB 3.36Å; F2059-H2063 PolarHBondContact O-N 3.34Å; H2060-H2063 PolarHBondContact O-N 3.45Å; Y2061-H2063 VanDerWaalsContact C-N 3.31Å; Y2061-H2063 PolarHBondContact O-N 3.43Å; H2063-L2065 VanDerWaalsContact C-N 3.34Å; H2063-L2065 PolarHBondContact O-N 3.06Å; H2063-D2107 PolarHBondContact CD2-O 2.94Å; H2063-L2108 HydrophobicContact CB-CD2 4.07Å; H2063-M2111 HydrophobicContact CB-CE 3.96Å; H2063-M2111 HydrophobicContact CB-SD 4.38Å |
| 2064 | G | 84.9 | Confident | 87 | Confident | 52 Ų | 52 | 49 Ų | 49 | 54% | 0.536 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -75.7 | -12 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H2060 Y2061 Y2062 I2066 | H2060-G2064 PolarHBondContact O-N 3.2Å; Y2061-G2064 PolarHBondContact O-N 2.87Å; Y2062-G2064 PolarHBondContact O-N 3.15Å; G2064-I2066 PolarHBondContact O-N 2.93Å |
| 2065 | L | 85.3 | Confident | 86.8 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | trans | -70 | 126.7 | -178.9 | -67.1 | 178.7 | 0 | 0 | 0 | 110.5 | Y2061 Y2062 H2063 H2070 R2071 W2074 | Y2061-L2065 HydrophobicContact CD1-CD2 4.33Å; Y2061-L2065 HydrophobicContact CD1-CG 4.49Å; Y2061-L2065 HydrophobicContact CE1-CD1 4.45Å; Y2061-L2065 HydrophobicContact CE1-CD2 3.75Å; Y2061-L2065 HydrophobicContact CE1-CG 4.35Å; Y2061-L2065 WeakPolarHBondContact O-CG 3.27Å; Y2061-L2065 PolarHBondContact O-N 3.35Å; Y2062-L2065 HydrophobicContact CD2-CD1 4.07Å; Y2062-L2065 WeakPolarHBondContact O-CB 3.43Å; Y2062-L2065 PolarHBondContact O-N 2.85Å; Y2062-L2065 VanDerWaalsContact O-N 3.13Å; H2063-L2065 VanDerWaalsContact C-N 3.34Å; H2063-L2065 PolarHBondContact O-N 3.06Å; L2065-H2070 HydrophobicContact CD1-CB 4.5Å; L2065-R2071 HydrophobicContact CB-CG 3.83Å; L2065-R2071 HydrophobicContact CD1-CG 4.42Å; L2065-R2071 PolarHBondContact O-NE 3.01Å; L2065-R2071 PolarHBondContact O-NH2 2.81Å; L2065-W2074 HydrophobicContact CD1-CG 4.26Å | ||
| 2066 | I | 79.6 | Confident | 86.7 | Confident | 155 Ų | 155 | 51.4 Ų | 51.4 | 80% | 0.795 | 29% | 0.287 | S | S | * | . | trans | -96.9 | -27.7 | 180 | -57 | 170.1 | 0 | 0 | 0 | 111.5 | G2064 | G2064-I2066 PolarHBondContact O-N 2.93Š| ||
| 2067 | I | 79.1 | Confident | 86.6 | Confident | 106 Ų | 106 | 49.1 Ų | 49.1 | 54% | 0.544 | 28% | 0.275 | S | S | . | . | trans | -87.8 | 118.5 | -171.4 | -58.3 | 172 | 0 | 0 | 0 | 109.8 | G2069 H2070 R2071 | I2067-G2069 VanDerWaalsContact C-N 3.25Å; I2067-G2069 PolarHBondContact O-N 3.35Å; I2067-H2070 HydrophobicContact CB-CB 4.18Å; I2067-H2070 WeakPolarHBondContact O-CB 3.46Å; I2067-H2070 PolarHBondContact O-N 3.46Å; I2067-R2071 PolarHBondContact O-N 3.39Å | ||
| 2068 | D | 77.3 | Confident | 86.6 | Confident | 106 Ų | 106 | 46 Ų | 46 | 57% | 0.567 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -55.5 | -38.3 | -178.4 | -66.6 | -37.7 | 0 | 0 | 0 | 113.3 | H2070 R2071 H2072 | D2068-H2070 VanDerWaalsContact C-N 3.32Å; D2068-H2070 PolarHBondContact O-N 3.42Å; D2068-R2071 WeakPolarHBondContact O-CB 3.27Å; D2068-R2071 PolarHBondContact O-N 3.26Å; D2068-H2072 PolarHBondContact O-N 3.48Å; D2068-H2072 PolarHBondContact O-ND1 3.02Å |
| 2069 | G | 78.8 | Confident | 86.6 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.7 | -31.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I2067 A2073 | I2067-G2069 VanDerWaalsContact C-N 3.25Å; I2067-G2069 PolarHBondContact O-N 3.35Å; G2069-A2073 PolarHBondContact O-N 3.29Å |
| 2070 | H | 85.4 | Confident | 86.5 | Confident | 19 Ų | 19 | 46 Ų | 46 | 9% | 0.088 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.5 | -43.5 | 173.9 | -160.7 | 153.9 | 0 | 0 | 0 | 109.6 | L2019 E2022 L2065 I2067 D2068 H2072 A2073 W2074 | L2019-H2070 WeakPolarHBondContact CD1-CD2 3.24Å; L2019-H2070 VanDerWaalsContact CD1-NE2 3.34Å; L2019-H2070 WeakPolarHBondContact CD1-NE2 3Å; E2022-H2070 IonicContact OE1-CD2 3.04Å; E2022-H2070 IonicContact OE1-CE1 3.53Å; E2022-H2070 IonicContact OE1-NE2 3Å; E2022-H2070 PolarHBondContact OE1-NE2 3.06Å; E2022-H2070 IonicContact OE2-NE2 3.56Å; L2065-H2070 HydrophobicContact CD1-CB 4.5Å; I2067-H2070 HydrophobicContact CB-CB 4.18Å; I2067-H2070 WeakPolarHBondContact O-CB 3.46Å; I2067-H2070 PolarHBondContact O-N 3.46Å; D2068-H2070 VanDerWaalsContact C-N 3.32Å; D2068-H2070 PolarHBondContact O-N 3.42Å; H2070-H2072 PolarHBondContact O-N 3.23Å; H2070-A2073 WeakPolarHBondContact O-CB 3.45Å; H2070-A2073 PolarHBondContact O-N 2.99Å; H2070-W2074 AromaticContact CD2-CD1 3.6Å; H2070-W2074 AromaticContact CD2-NE1 3.63Å; H2070-W2074 AromaticContact NE2-NE1 3.52Å; H2070-W2074 PolarHBondContact O-N 3.25Å |
| 2071 | R | 86.3 | Confident | 86.6 | Confident | 31 Ų | 31 | 41.2 Ų | 41.2 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.7 | -48.9 | 174.2 | -69.3 | -179.6 | 175.9 | -130.7 | -3.8 | 111.9 | Y2062 L2065 I2067 D2068 A2073 W2074 D2075 M2111 G2114 | Y2062-R2071 HydrophobicContact CE2-CB 3.94Å; Y2062-R2071 HydrophobicContact CE2-CG 4.21Å; Y2062-R2071 WeakPolarHBondContact CE2-O 3.45Å; L2065-R2071 HydrophobicContact CB-CG 3.83Å; L2065-R2071 HydrophobicContact CD1-CG 4.42Å; L2065-R2071 PolarHBondContact O-NE 3.01Å; L2065-R2071 PolarHBondContact O-NH2 2.81Å; I2067-R2071 PolarHBondContact O-N 3.39Å; D2068-R2071 WeakPolarHBondContact O-CB 3.27Å; D2068-R2071 PolarHBondContact O-N 3.26Å; R2071-A2073 VanDerWaalsContact C-N 3.26Å; R2071-A2073 PolarHBondContact O-N 2.93Å; R2071-W2074 WeakPolarHBondContact O-CA 3.26Å; R2071-W2074 WeakPolarHBondContact O-CB 3.39Å; R2071-W2074 PolarHBondContact O-N 3.38Å; R2071-D2075 PolarHBondContact O-N 2.87Å; R2071-M2111 PolarHBondContact NH1-SD 3.19Å; R2071-M2111 VanDerWaalsContact NH1-SD 3.37Å; R2071-M2111 PolarHBondContact NH2-SD 3.25Å; R2071-M2111 VanDerWaalsContact NH2-SD 3.38Å; R2071-G2114 PolarHBondContact NH1-O 2.78Å |
| 2072 | H | 84.1 | Confident | 86.5 | Confident | 122 Ų | 122 | 39.9 Ų | 39.9 | 57% | 0.565 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.6 | -34 | 178.7 | -81.5 | 70.8 | 0 | 0 | 0 | 113 | D2068 H2070 W2074 D2075 | D2068-H2072 PolarHBondContact O-N 3.48Å; D2068-H2072 PolarHBondContact O-ND1 3.02Å; H2070-H2072 PolarHBondContact O-N 3.23Å; H2072-W2074 PolarHBondContact O-N 3.5Å; H2072-D2075 IonicContact CD2-OD2 2.64Å; H2072-D2075 WeakPolarHBondContact O-CB 3.48Å; H2072-D2075 PolarHBondContact O-N 3.33Å |
| 2073 | A | 86.9 | Confident | 86.5 | Confident | 30 Ų | 30 | 40 Ų | 40 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.4 | -23.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L2019 T2023 G2069 H2070 R2071 P2076 | L2019-A2073 HydrophobicContact CD1-CB 3.96Å; L2019-A2073 HydrophobicContact CD2-CB 3.57Å; L2019-A2073 HydrophobicContact CG-CB 3.75Å; T2023-A2073 HydrophobicContact CG2-CB 4.36Å; T2023-A2073 WeakPolarHBondContact CG2-O 3.49Å; G2069-A2073 PolarHBondContact O-N 3.29Å; H2070-A2073 WeakPolarHBondContact O-CB 3.45Å; H2070-A2073 PolarHBondContact O-N 2.99Å; R2071-A2073 VanDerWaalsContact C-N 3.26Å; R2071-A2073 PolarHBondContact O-N 2.93Å; A2073-P2076 WeakPolarHBondContact O-CD 3.31Å |
| 2074 | W | 92.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -88 | -10.8 | 176.9 | -86.3 | 70.5 | 0 | 0 | 0 | 114.4 | H1989 E2022 T2023 L2026 A2058 Y2061 Y2062 L2065 H2070 R2071 H2072 P2076 C2077 L2078 | H1989-W2074 AromaticContact CE1-CH2 3.56Å; H1989-W2074 AromaticContact CE1-CZ2 3.69Å; H1989-W2074 AromaticContact NE2-CH2 3.97Å; E2022-W2074 HydrophobicContact CG-CZ2 3.95Å; E2022-W2074 VanDerWaalsContact OE1-CE2 3.23Å; E2022-W2074 VanDerWaalsContact OE1-CZ2 3.24Å; E2022-W2074 WeakPolarHBondContact OE1-CZ2 3.18Å; E2022-W2074 PolarHBondContact OE1-NE1 3.43Å; T2023-W2074 HydrophobicContact CG2-CD2 4.49Å; T2023-W2074 HydrophobicContact CG2-CG 4.14Å; L2026-W2074 HydrophobicContact CD2-CE3 4.22Å; L2026-W2074 HydrophobicContact CD2-CH2 3.48Å; L2026-W2074 VanDerWaalsContact CD2-CH2 3.48Å; L2026-W2074 HydrophobicContact CD2-CZ2 4.43Å; L2026-W2074 HydrophobicContact CD2-CZ3 3.33Å; A2058-W2074 HydrophobicContact CB-CZ3 3.84Å; Y2061-W2074 AromaticContact CD1-CE2 3.91Å; Y2061-W2074 AromaticContact CD1-CH2 3.72Å; Y2061-W2074 HydrophobicContact CD1-CH2 3.72Å; Y2061-W2074 AromaticContact CD1-CZ2 3.34Å; Y2061-W2074 HydrophobicContact CD1-CZ2 3.34Å; Y2061-W2074 HydrophobicContact CE1-CH2 4.4Å; Y2061-W2074 AromaticContact CE1-CZ2 3.59Å; Y2061-W2074 HydrophobicContact CE1-CZ2 3.59Å; Y2062-W2074 HydrophobicContact CD2-CB 3.61Å; Y2062-W2074 HydrophobicContact CD2-CG 4.17Å; Y2062-W2074 HydrophobicContact CE2-CB 3.79Å; L2065-W2074 HydrophobicContact CD1-CG 4.26Å; H2070-W2074 AromaticContact CD2-CD1 3.6Å; H2070-W2074 AromaticContact CD2-NE1 3.63Å; H2070-W2074 AromaticContact NE2-NE1 3.52Å; H2070-W2074 PolarHBondContact O-N 3.25Å; R2071-W2074 WeakPolarHBondContact O-CA 3.26Å; R2071-W2074 WeakPolarHBondContact O-CB 3.39Å; R2071-W2074 PolarHBondContact O-N 3.38Å; H2072-W2074 PolarHBondContact O-N 3.5Å; W2074-P2076 VanDerWaalsContact C-CD 3.45Å; W2074-P2076 VanDerWaalsContact C-N 3.32Å; W2074-C2077 HydrophobicContact CE3-CB 4.13Å; W2074-C2077 WeakPolarHBondContact O-CB 2.9Å; W2074-C2077 PolarHBondContact O-N 3.43Å; W2074-L2078 PolarHBondContact O-N 2.89Å |
| 2075 | D | 89.5 | Confident | 86.5 | Confident | 17 Ų | 17 | 34.2 Ų | 34.2 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -50.3 | -45.9 | 179.1 | -80.1 | -31.1 | 0 | 0 | 0 | 112.6 | R2071 H2072 C2077 L2078 V2079 S2116 | R2071-D2075 PolarHBondContact O-N 2.87Å; H2072-D2075 IonicContact CD2-OD2 2.64Å; H2072-D2075 WeakPolarHBondContact O-CB 3.48Å; H2072-D2075 PolarHBondContact O-N 3.33Å; D2075-C2077 VanDerWaalsContact C-N 3.32Å; D2075-C2077 PolarHBondContact O-N 2.74Å; D2075-L2078 PolarHBondContact O-N 2.64Å; D2075-V2079 VanDerWaalsContact O-CB 3.3Å; D2075-V2079 WeakPolarHBondContact O-CB 3.39Å; D2075-V2079 WeakPolarHBondContact O-CG2 3.44Å; D2075-V2079 PolarHBondContact O-N 2.77Å; D2075-S2116 VanDerWaalsContact OD1-CB 3.26Å; D2075-S2116 WeakPolarHBondContact OD1-CB 3.42Å; D2075-S2116 PolarHBondContact OD1-OG 3.33Å |
| 2076 | P | 90.3 | Very high | 86.5 | Confident | 46 Ų | 46 | 33.8 Ų | 33.8 | 30% | 0.299 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60 | -39.2 | 177 | -23.2 | 35 | 0 | 0 | 0 | 113.3 | L2027 A2073 W2074 L2080 | L2027-P2076 HydrophobicContact CD1-CB 4.44Å; A2073-P2076 WeakPolarHBondContact O-CD 3.31Å; W2074-P2076 VanDerWaalsContact C-CD 3.45Å; W2074-P2076 VanDerWaalsContact C-N 3.32Å; P2076-L2080 WeakPolarHBondContact O-CB 3.31Å; P2076-L2080 PolarHBondContact O-N 3.45Å |
| 2077 | C | 91.7 | Very high | 86.4 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -48.7 | 177.8 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | T2023 L2026 L2027 W2074 D2075 L2080 I2081 | T2023-C2077 PolarHBondContact O-SG 2.84Å; L2026-C2077 HydrophobicContact CD2-CB 4.36Å; L2027-C2077 HydrophobicContact CD1-CB 4.42Å; W2074-C2077 HydrophobicContact CE3-CB 4.13Å; W2074-C2077 WeakPolarHBondContact O-CB 2.9Å; W2074-C2077 PolarHBondContact O-N 3.43Å; D2075-C2077 VanDerWaalsContact C-N 3.32Å; D2075-C2077 PolarHBondContact O-N 2.74Å; C2077-L2080 PolarHBondContact O-N 2.8Å; C2077-I2081 WeakPolarHBondContact O-CB 3.29Å; C2077-I2081 WeakPolarHBondContact O-CG1 3.48Å; C2077-I2081 PolarHBondContact O-N 3.36Å |
| 2078 | L | 91 | Very high | 86.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 178.9 | -68 | -177.1 | 0 | 0 | 0 | 112.2 | F2059 Y2062 W2074 D2075 I2081 I2082 V2119 | F2059-L2078 HydrophobicContact CD1-CD2 3.87Å; F2059-L2078 HydrophobicContact CE1-CD2 3.94Å; Y2062-L2078 HydrophobicContact CD1-CD1 3.75Å; Y2062-L2078 HydrophobicContact CD2-CD1 3.56Å; Y2062-L2078 HydrophobicContact CD2-CG 4.24Å; Y2062-L2078 HydrophobicContact CE1-CD1 3.69Å; Y2062-L2078 HydrophobicContact CE2-CD1 3.46Å; Y2062-L2078 VanDerWaalsContact CE2-CD1 3.46Å; Y2062-L2078 HydrophobicContact CE2-CG 4.43Å; Y2062-L2078 HydrophobicContact CG-CD1 3.69Å; Y2062-L2078 HydrophobicContact CG-CD2 4.49Å; Y2062-L2078 HydrophobicContact CG-CG 4.45Å; W2074-L2078 PolarHBondContact O-N 2.89Å; D2075-L2078 PolarHBondContact O-N 2.64Å; L2078-I2081 PolarHBondContact O-N 3.04Å; L2078-I2082 WeakPolarHBondContact O-CB 3.47Å; L2078-I2082 VanDerWaalsContact O-CG1 3.25Å; L2078-I2082 WeakPolarHBondContact O-CG1 3.31Å; L2078-I2082 PolarHBondContact O-N 3.47Å; L2078-V2119 HydrophobicContact CB-CG1 4.29Å; L2078-V2119 HydrophobicContact CB-CG2 3.83Å; L2078-V2119 HydrophobicContact CD1-CG1 4.11Å; L2078-V2119 HydrophobicContact CD1-CG2 4.25Å |
| 2079 | V | 90.4 | Very high | 86 | Confident | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -48 | 175.7 | 165.5 | 0 | 0 | 0 | 0 | 110.2 | L1850 A1853 D2075 T2083 V2119 L2122 | L1850-V2079 HydrophobicContact CD1-CG2 4.04Å; A1853-V2079 HydrophobicContact CB-CG1 4.14Å; A1853-V2079 HydrophobicContact CB-CG2 4.22Å; D2075-V2079 VanDerWaalsContact O-CB 3.3Å; D2075-V2079 WeakPolarHBondContact O-CB 3.39Å; D2075-V2079 WeakPolarHBondContact O-CG2 3.44Å; D2075-V2079 PolarHBondContact O-N 2.77Å; V2079-T2083 WeakPolarHBondContact O-CB 3.41Å; V2079-T2083 PolarHBondContact O-N 2.85Å; V2079-T2083 PolarHBondContact O-OG1 3.28Å; V2079-V2119 HydrophobicContact CG2-CG2 4.01Å; V2079-L2122 HydrophobicContact CB-CD1 4.22Å; V2079-L2122 HydrophobicContact CG1-CD1 4.07Å; V2079-L2122 HydrophobicContact CG2-CD1 4.13Å |
| 2080 | L | 89.5 | Confident | 85.9 | Confident | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61 | -50.9 | 177 | -178.9 | 67.9 | 0 | 0 | 0 | 111.2 | Y1849 L2027 L2030 R2031 P2076 C2077 I2082 T2083 Q2084 | Y1849-L2080 HydrophobicContact CD2-CD1 3.7Å; Y1849-L2080 HydrophobicContact CE2-CD1 3.56Å; L2027-L2080 HydrophobicContact CD1-CB 3.99Å; L2027-L2080 HydrophobicContact CD1-CD2 3.6Å; L2027-L2080 HydrophobicContact CD1-CG 4.44Å; L2027-L2080 HydrophobicContact CG-CD2 4.09Å; L2030-L2080 HydrophobicContact CB-CD2 4.09Å; R2031-L2080 HydrophobicContact CG-CD2 3.86Å; P2076-L2080 WeakPolarHBondContact O-CB 3.31Å; P2076-L2080 PolarHBondContact O-N 3.45Å; C2077-L2080 PolarHBondContact O-N 2.8Å; L2080-I2082 PolarHBondContact O-N 3.19Å; L2080-T2083 PolarHBondContact O-N 3.01Å; L2080-Q2084 HydrophobicContact CD1-CG 3.84Å; L2080-Q2084 HydrophobicContact CG-CG 4.33Å; L2080-Q2084 VanDerWaalsContact O-CB 3.27Å; L2080-Q2084 WeakPolarHBondContact O-CB 3.49Å; L2080-Q2084 VanDerWaalsContact O-CG 3.25Å; L2080-Q2084 WeakPolarHBondContact O-CG 3.21Å; L2080-Q2084 PolarHBondContact O-N 3.35Å |
| 2081 | I | 90.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.4 | -56.5 | -179.8 | -72.2 | 168.1 | 0 | 0 | 0 | 110.6 | L2030 I2055 A2058 F2059 C2077 L2078 Q2084 L2085 | L2030-I2081 HydrophobicContact CD1-CD1 3.8Å; L2030-I2081 HydrophobicContact CD1-CG1 3.55Å; L2030-I2081 HydrophobicContact CD2-CG1 4.19Å; L2030-I2081 HydrophobicContact CG-CG1 4.5Å; I2055-I2081 HydrophobicContact CB-CG2 4.36Å; I2055-I2081 HydrophobicContact CD1-CG2 4.08Å; I2055-I2081 HydrophobicContact CG1-CD1 4.45Å; I2055-I2081 HydrophobicContact CG1-CG1 4.3Å; I2055-I2081 HydrophobicContact CG1-CG2 3.96Å; I2055-I2081 HydrophobicContact CG2-CG2 3.52Å; A2058-I2081 HydrophobicContact CB-CD1 4.04Å; F2059-I2081 HydrophobicContact CE1-CG2 3.87Å; F2059-I2081 HydrophobicContact CZ-CG2 3.8Å; C2077-I2081 WeakPolarHBondContact O-CB 3.29Å; C2077-I2081 WeakPolarHBondContact O-CG1 3.48Å; C2077-I2081 PolarHBondContact O-N 3.36Å; L2078-I2081 PolarHBondContact O-N 3.04Å; I2081-Q2084 PolarHBondContact O-N 2.91Å; I2081-L2085 HydrophobicContact CG2-CD1 3.77Å; I2081-L2085 HydrophobicContact CG2-CG 4.39Å; I2081-L2085 WeakPolarHBondContact O-CB 3.43Å; I2081-L2085 WeakPolarHBondContact O-CG 3.48Å; I2081-L2085 PolarHBondContact O-N 3.21Å |
| 2082 | I | 89.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.7 | -39.1 | -171.4 | -58.9 | 166.5 | 0 | 0 | 0 | 110 | F2059 L2078 L2080 L2085 I2086 L2105 V2119 L2122 M2123 F2126 | F2059-I2082 HydrophobicContact CE1-CG1 4.39Å; F2059-I2082 HydrophobicContact CZ-CG1 4.33Å; L2078-I2082 WeakPolarHBondContact O-CB 3.47Å; L2078-I2082 VanDerWaalsContact O-CG1 3.25Å; L2078-I2082 WeakPolarHBondContact O-CG1 3.31Å; L2078-I2082 PolarHBondContact O-N 3.47Å; L2080-I2082 PolarHBondContact O-N 3.19Å; I2082-L2085 PolarHBondContact O-N 3.49Å; I2082-I2086 HydrophobicContact CG2-CD1 3.7Å; I2082-I2086 HydrophobicContact CG2-CG1 4.32Å; I2082-I2086 WeakPolarHBondContact O-CB 3.43Å; I2082-I2086 WeakPolarHBondContact O-CD1 3.47Å; I2082-I2086 WeakPolarHBondContact O-CG1 3.25Å; I2082-I2086 PolarHBondContact O-N 2.99Å; I2082-L2105 HydrophobicContact CD1-CD1 4.26Å; I2082-L2105 HydrophobicContact CG1-CD1 4.39Å; I2082-V2119 HydrophobicContact CD1-CG1 3.79Å; I2082-L2122 HydrophobicContact CB-CB 4.15Å; I2082-L2122 HydrophobicContact CG2-CB 3.63Å; I2082-M2123 HydrophobicContact CD1-CG 3.81Å; I2082-F2126 HydrophobicContact CG2-CB 4.19Å |
| 2083 | T | 87.4 | Confident | 84.5 | Confident | 6 Ų | 6 | 22.9 Ų | 22.9 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | Y1849 V2079 L2080 I2086 Q2087 L2122 | Y1849-T2083 HydrophobicContact CD1-CG2 3.67Å; Y1849-T2083 HydrophobicContact CE1-CG2 4.04Å; Y1849-T2083 HydrophobicContact CG-CG2 4.29Å; V2079-T2083 WeakPolarHBondContact O-CB 3.41Å; V2079-T2083 PolarHBondContact O-N 2.85Å; V2079-T2083 PolarHBondContact O-OG1 3.28Å; L2080-T2083 PolarHBondContact O-N 3.01Å; T2083-I2086 WeakPolarHBondContact O-CB 3.18Å; T2083-I2086 PolarHBondContact O-N 2.75Å; T2083-Q2087 WeakPolarHBondContact O-CG 3.35Å; T2083-Q2087 PolarHBondContact O-N 2.96Å; T2083-Q2087 VanDerWaalsContact O-N 3.14Å; T2083-L2122 WeakPolarHBondContact OG1-CD1 3.21Å |
| 2084 | Q | 86.8 | Confident | 84.3 | Confident | 12 Ų | 12 | 21.5 Ų | 21.5 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | -179.9 | -71.3 | -68.1 | -16.2 | 0 | 0 | 112.2 | Y1849 F2034 L2080 I2081 I2086 Q2087 L2088 | Y1849-Q2084 PolarHBondContact OH-NE2 3.47Å; F2034-Q2084 HydrophobicContact CD1-CB 3.74Å; F2034-Q2084 HydrophobicContact CD2-CB 3.83Å; F2034-Q2084 HydrophobicContact CD2-CG 3.98Å; F2034-Q2084 HydrophobicContact CE1-CB 3.63Å; F2034-Q2084 HydrophobicContact CE2-CB 3.74Å; F2034-Q2084 HydrophobicContact CE2-CG 4.21Å; F2034-Q2084 HydrophobicContact CG-CB 3.85Å; F2034-Q2084 HydrophobicContact CG-CG 4.18Å; F2034-Q2084 HydrophobicContact CZ-CB 3.64Å; L2080-Q2084 HydrophobicContact CD1-CG 3.84Å; L2080-Q2084 HydrophobicContact CG-CG 4.33Å; L2080-Q2084 VanDerWaalsContact O-CB 3.27Å; L2080-Q2084 WeakPolarHBondContact O-CB 3.49Å; L2080-Q2084 VanDerWaalsContact O-CG 3.25Å; L2080-Q2084 WeakPolarHBondContact O-CG 3.21Å; L2080-Q2084 PolarHBondContact O-N 3.35Å; I2081-Q2084 PolarHBondContact O-N 2.91Å; Q2084-I2086 VanDerWaalsContact C-N 3.32Å; Q2084-I2086 PolarHBondContact O-N 3.45Å; Q2084-Q2087 PolarHBondContact O-N 3.41Å; Q2084-L2088 PolarHBondContact O-N 3.44Å; Q2084-L2088 VanDerWaalsContact O-N 3.12Å |
| 2085 | L | 85.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -43.3 | 172.5 | -74.4 | 174.7 | 0 | 0 | 0 | 111.9 | F2034 I2055 I2081 I2082 Q2087 L2088 F2094 H2097 L2101 F2126 R2129 | F2034-L2085 HydrophobicContact CE1-CD2 4.26Å; F2034-L2085 HydrophobicContact CE1-CG 4.39Å; F2034-L2085 HydrophobicContact CZ-CG 4.39Å; I2055-L2085 HydrophobicContact CD1-CD1 4.22Å; I2055-L2085 HydrophobicContact CD1-CD2 3.96Å; I2055-L2085 HydrophobicContact CD1-CG 4.21Å; I2055-L2085 HydrophobicContact CG2-CD1 4.33Å; I2081-L2085 HydrophobicContact CG2-CD1 3.77Å; I2081-L2085 HydrophobicContact CG2-CG 4.39Å; I2081-L2085 WeakPolarHBondContact O-CB 3.43Å; I2081-L2085 WeakPolarHBondContact O-CG 3.48Å; I2081-L2085 PolarHBondContact O-N 3.21Å; I2082-L2085 PolarHBondContact O-N 3.49Å; L2085-Q2087 PolarHBondContact O-N 2.88Å; L2085-L2088 HydrophobicContact CD2-CD1 3.67Å; L2085-L2088 PolarHBondContact O-N 3.36Å; L2085-F2094 VanDerWaalsContact O-CD2 3.22Å; L2085-F2094 WeakPolarHBondContact O-CD2 3.31Å; L2085-H2097 HydrophobicContact CD2-CB 4.15Å; L2085-L2101 HydrophobicContact CD1-CD1 3.71Å; L2085-L2101 HydrophobicContact CD2-CD1 3.76Å; L2085-L2101 HydrophobicContact CG-CD1 4.4Å; L2085-F2126 HydrophobicContact CB-CD2 4.24Å; L2085-F2126 HydrophobicContact CB-CE2 4.01Å; L2085-F2126 HydrophobicContact CD1-CE2 4.27Å; L2085-R2129 PolarHBondContact O-NH1 2.74Å |
| 2086 | I | 84 | Confident | 83.5 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -23.9 | 175.6 | -72.7 | 164.2 | 0 | 0 | 0 | 111.8 | I1957 I2082 T2083 Q2084 L2122 V2125 F2126 R2129 | I1957-I2086 HydrophobicContact CB-CG2 4.41Å; I1957-I2086 HydrophobicContact CG1-CG2 4.31Å; I1957-I2086 HydrophobicContact CG2-CG2 3.84Å; I1957-I2086 WeakPolarHBondContact CG2-O 3.49Å; I2082-I2086 HydrophobicContact CG2-CD1 3.7Å; I2082-I2086 HydrophobicContact CG2-CG1 4.32Å; I2082-I2086 WeakPolarHBondContact O-CB 3.43Å; I2082-I2086 WeakPolarHBondContact O-CD1 3.47Å; I2082-I2086 WeakPolarHBondContact O-CG1 3.25Å; I2082-I2086 PolarHBondContact O-N 2.99Å; T2083-I2086 WeakPolarHBondContact O-CB 3.18Å; T2083-I2086 PolarHBondContact O-N 2.75Å; Q2084-I2086 VanDerWaalsContact C-N 3.32Å; Q2084-I2086 PolarHBondContact O-N 3.45Å; I2086-L2122 HydrophobicContact CD1-CB 4.43Å; I2086-L2122 HydrophobicContact CD1-CD2 4.33Å; I2086-L2122 WeakPolarHBondContact CD1-O 3.34Å; I2086-V2125 HydrophobicContact CD1-CB 3.96Å; I2086-V2125 HydrophobicContact CD1-CG1 3.97Å; I2086-V2125 HydrophobicContact CG1-CG1 4.47Å; I2086-V2125 HydrophobicContact CG2-CG1 3.95Å; I2086-F2126 HydrophobicContact CD1-CB 4Å; I2086-F2126 HydrophobicContact CG1-CB 3.78Å; I2086-F2126 HydrophobicContact CG1-CD2 4.04Å; I2086-F2126 HydrophobicContact CG1-CG 4.42Å; I2086-R2129 VanDerWaalsContact O-CZ 3.3Å; I2086-R2129 PolarHBondContact O-NH1 2.72Å |
| 2087 | Q | 79.4 | Confident | 83.2 | Confident | 29 Ų | 29 | 26 Ų | 26 | 14% | 0.136 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -95.1 | -10.4 | -178.5 | -70.2 | 174.7 | 7.8 | 0 | 0 | 114.4 | I1957 G1958 A1959 T2083 Q2084 L2085 S2089 | I1957-Q2087 HydrophobicContact CG2-CG 4.41Å; G1958-Q2087 PolarHBondContact O-NE2 2.99Å; A1959-Q2087 PolarHBondContact O-NE2 2.98Å; T2083-Q2087 WeakPolarHBondContact O-CG 3.35Å; T2083-Q2087 PolarHBondContact O-N 2.96Å; T2083-Q2087 VanDerWaalsContact O-N 3.14Å; Q2084-Q2087 PolarHBondContact O-N 3.41Å; L2085-Q2087 PolarHBondContact O-N 2.88Å; Q2087-S2089 PolarHBondContact O-N 3.28Å |
| 2088 | L | 78.7 | Confident | 82.9 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | trans | -51.8 | 130.5 | -178.5 | -77.6 | 170.2 | 0 | 0 | 0 | 113.3 | Q2084 L2085 F2094 H2097 R2129 | Q2084-L2088 PolarHBondContact O-N 3.44Å; Q2084-L2088 VanDerWaalsContact O-N 3.12Å; L2085-L2088 HydrophobicContact CD2-CD1 3.67Å; L2085-L2088 PolarHBondContact O-N 3.36Å; L2088-F2094 HydrophobicContact CB-CB 4.24Å; L2088-H2097 HydrophobicContact CD1-CB 4.1Å; L2088-R2129 PolarHBondContact O-NH1 3Å; L2088-R2129 VanDerWaalsContact O-NH1 3.09Å; L2088-R2129 PolarHBondContact O-NH2 3Å | ||
| 2089 | S | 67.7 | Low | 82.7 | Confident | 90 Ų | 90 | 29.7 Ų | 29.7 | 63% | 0.629 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -138.9 | 144.4 | -179.8 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | Q2087 | Q2087-S2089 PolarHBondContact O-N 3.28Š|
| 2090 | P | 77 | Confident | 82.4 | Confident | 79 Ų | 79 | 32.3 Ų | 32.3 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | S | Bend | cis | -68.1 | 162.6 | -4.3 | 29.3 | -34.9 | 0 | 0 | 0 | 112.2 | S2092 R2093 | P2090-S2092 PolarHBondContact O-N 3.25Å; P2090-R2093 WeakPolarHBondContact O-CB 3.25Å; P2090-R2093 PolarHBondContact O-N 3.29Å |
| 2091 | S | 70.9 | Confident | 82.3 | Confident | 49 Ų | 49 | 32.2 Ų | 32.2 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.7 | -19.7 | -174.3 | -51.7 | 0 | 0 | 0 | 0 | 115.1 | R2093 F2094 H2095 | S2091-R2093 VanDerWaalsContact C-N 3.28Å; S2091-R2093 PolarHBondContact O-N 3.23Å; S2091-F2094 WeakPolarHBondContact O-CB 3.47Å; S2091-F2094 PolarHBondContact O-N 3.08Å; S2091-H2095 PolarHBondContact O-N 3.39Å |
| 2092 | S | 77.4 | Confident | 82.1 | Confident | 84 Ų | 84 | 37 Ų | 37 | 59% | 0.587 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.1 | -34.1 | 171.1 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | P2090 H2095 K2096 | P2090-S2092 PolarHBondContact O-N 3.25Å; S2092-H2095 WeakPolarHBondContact O-CB 3.27Å; S2092-H2095 PolarHBondContact O-N 2.88Å; S2092-K2096 PolarHBondContact O-N 2.89Å; S2092-K2096 VanDerWaalsContact O-N 3.07Å |
| 2093 | R | 79.3 | Confident | 81.9 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.4 | -44 | 173.6 | -73.1 | -164 | 64.8 | -132.2 | -20.4 | 111.7 | A2037 D2048 P2090 S2091 H2095 K2096 H2097 | A2037-R2093 VanDerWaalsContact C-NH1 3.32Å; A2037-R2093 PolarHBondContact O-NH1 3.43Å; D2048-R2093 IonicContact OD1-CZ 3.2Å; D2048-R2093 IonicContact OD1-NE 3.45Å; D2048-R2093 IonicContact OD1-NH2 2.96Å; D2048-R2093 PolarHBondContact OD1-NH2 3.34Å; D2048-R2093 IonicContact OD2-CZ 3.52Å; D2048-R2093 IonicContact OD2-NE 2.7Å; D2048-R2093 PolarHBondContact OD2-NE 2.89Å; D2048-R2093 VanDerWaalsContact OD2-NE 3.09Å; D2048-R2093 IonicContact OD2-NH2 3.54Å; D2048-R2093 PolarHBondContact OD2-NH2 2.85Å; D2048-R2093 VanDerWaalsContact OD2-NH2 3.08Å; P2090-R2093 WeakPolarHBondContact O-CB 3.25Å; P2090-R2093 PolarHBondContact O-N 3.29Å; S2091-R2093 VanDerWaalsContact C-N 3.28Å; S2091-R2093 PolarHBondContact O-N 3.23Å; R2093-H2095 PolarHBondContact O-N 3.36Å; R2093-K2096 PolarHBondContact O-N 3.34Å; R2093-K2096 VanDerWaalsContact O-N 3.11Å; R2093-H2097 PolarHBondContact NH2-NE2 2.94Å; R2093-H2097 PolarHBondContact O-CD2 3.43Å; R2093-H2097 PolarHBondContact O-N 3.19Å |
| 2094 | F | 82.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.2 | -43.7 | 171.1 | 174.2 | -103.5 | 0 | 0 | 0 | 110.5 | L2085 L2088 S2091 A2098 F2126 R2129 F2133 | L2085-F2094 VanDerWaalsContact O-CD2 3.22Å; L2085-F2094 WeakPolarHBondContact O-CD2 3.31Å; L2088-F2094 HydrophobicContact CB-CB 4.24Å; S2091-F2094 WeakPolarHBondContact O-CB 3.47Å; S2091-F2094 PolarHBondContact O-N 3.08Å; F2094-A2098 HydrophobicContact CD1-CB 4.42Å; F2094-A2098 HydrophobicContact CE1-CB 4.09Å; F2094-A2098 HydrophobicContact CE2-CB 4.28Å; F2094-A2098 HydrophobicContact CZ-CB 4.02Å; F2094-A2098 WeakPolarHBondContact O-CA 3.28Å; F2094-A2098 WeakPolarHBondContact O-CB 3.47Å; F2094-A2098 PolarHBondContact O-N 3.38Å; F2094-F2126 HydrophobicContact CD2-CE2 4.49Å; F2094-F2126 AromaticContact CE2-CD2 3.76Å; F2094-F2126 HydrophobicContact CE2-CD2 3.76Å; F2094-F2126 AromaticContact CE2-CE2 3.48Å; F2094-F2126 HydrophobicContact CE2-CE2 3.48Å; F2094-F2126 VanDerWaalsContact CE2-CE2 3.48Å; F2094-F2126 HydrophobicContact CE2-CZ 4.22Å; F2094-F2126 HydrophobicContact CZ-CD2 4.17Å; F2094-F2126 AromaticContact CZ-CE2 3.98Å; F2094-F2126 HydrophobicContact CZ-CE2 3.98Å; F2094-F2126 HydrophobicContact CZ-CZ 4.35Å; F2094-R2129 HydrophobicContact CD1-CG 4.13Å; F2094-R2129 VanDerWaalsContact CD2-NH1 3.29Å; F2094-R2129 HydrophobicContact CE1-CB 4.02Å; F2094-R2129 HydrophobicContact CE1-CG 3.58Å; F2094-R2129 HydrophobicContact CE2-CG 4.33Å; F2094-R2129 HydrophobicContact CZ-CB 3.76Å; F2094-R2129 HydrophobicContact CZ-CG 3.69Å; F2094-F2133 HydrophobicContact CD1-CD2 4.17Å; F2094-F2133 HydrophobicContact CD1-CE2 4.37Å; F2094-F2133 HydrophobicContact CE1-CD2 4.28Å |
| 2095 | H | 80.8 | Confident | 81.5 | Confident | 73 Ų | 73 | 40 Ų | 40 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 177.1 | -171.1 | 78.2 | 0 | 0 | 0 | 113.2 | S2091 S2092 R2093 T2099 F2134 | S2091-H2095 PolarHBondContact O-N 3.39Å; S2092-H2095 WeakPolarHBondContact O-CB 3.27Å; S2092-H2095 PolarHBondContact O-N 2.88Å; R2093-H2095 PolarHBondContact O-N 3.36Å; H2095-T2099 WeakPolarHBondContact O-CB 3.31Å; H2095-T2099 PolarHBondContact O-N 3.24Å; H2095-T2099 PolarHBondContact O-OG1 2.65Å; H2095-F2134 AromaticContact CE1-CD1 3.72Å; H2095-F2134 AromaticContact CE1-CE1 3.11Å; H2095-F2134 WeakPolarHBondContact CE1-CE1 3.27Å; H2095-F2134 AromaticContact CE1-CZ 3.49Å; H2095-F2134 VanDerWaalsContact CE1-CZ 3.49Å; H2095-F2134 WeakPolarHBondContact CE1-CZ 3.17Å; H2095-F2134 AromaticContact ND1-CE1 3.53Å; H2095-F2134 AromaticContact ND1-CE2 3.99Å; H2095-F2134 AromaticContact ND1-CZ 3.37Å; H2095-F2134 WeakPolarHBondContact ND1-CZ 3.35Å; H2095-F2134 AromaticContact NE2-CE1 3.94Å |
| 2096 | K | 82.8 | Confident | 81.5 | Confident | 86 Ų | 86 | 42 Ų | 42 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.8 | -57.1 | 175.4 | -178.8 | -174.8 | 173.6 | -176.1 | 0 | 111.1 | S2092 R2093 T2099 C2100 | S2092-K2096 PolarHBondContact O-N 2.89Å; S2092-K2096 VanDerWaalsContact O-N 3.07Å; R2093-K2096 PolarHBondContact O-N 3.34Å; R2093-K2096 VanDerWaalsContact O-N 3.11Å; K2096-T2099 PolarHBondContact O-N 2.96Å; K2096-C2100 PolarHBondContact O-N 3.22Å |
| 2097 | H | 85.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -43.5 | -178.4 | -68.5 | -68.5 | 0 | 0 | 0 | 111.6 | D2048 D2052 L2085 L2088 R2093 T2099 C2100 L2101 | D2048-H2097 IonicContact OD1-CE1 3.58Å; D2048-H2097 IonicContact OD1-NE2 2.75Å; D2048-H2097 IonicContact OD2-NE2 3.86Å; D2052-H2097 IonicContact OD1-CE1 2.85Å; D2052-H2097 IonicContact OD1-CG 3.72Å; D2052-H2097 IonicContact OD1-ND1 3.48Å; D2052-H2097 PolarHBondContact OD1-ND1 3.39Å; D2052-H2097 IonicContact OD2-CE1 3.24Å; D2052-H2097 IonicContact OD2-ND1 2.67Å; D2052-H2097 PolarHBondContact OD2-ND1 3.41Å; L2085-H2097 HydrophobicContact CD2-CB 4.15Å; L2088-H2097 HydrophobicContact CD1-CB 4.1Å; R2093-H2097 PolarHBondContact NH2-NE2 2.94Å; R2093-H2097 PolarHBondContact O-CD2 3.43Å; R2093-H2097 PolarHBondContact O-N 3.19Å; H2097-T2099 VanDerWaalsContact C-N 3.34Å; H2097-T2099 PolarHBondContact O-N 3.26Å; H2097-C2100 PolarHBondContact O-N 3.22Å; H2097-L2101 HydrophobicContact CB-CD1 4.29Å; H2097-L2101 VanDerWaalsContact O-CB 3.31Å; H2097-L2101 WeakPolarHBondContact O-CB 3.47Å; H2097-L2101 WeakPolarHBondContact O-CG 3.5Å; H2097-L2101 PolarHBondContact O-N 2.68Å |
| 2098 | A | 84.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2094 C2100 L2101 Y2102 F2126 F2134 | F2094-A2098 HydrophobicContact CD1-CB 4.42Å; F2094-A2098 HydrophobicContact CE1-CB 4.09Å; F2094-A2098 HydrophobicContact CE2-CB 4.28Å; F2094-A2098 HydrophobicContact CZ-CB 4.02Å; F2094-A2098 WeakPolarHBondContact O-CA 3.28Å; F2094-A2098 WeakPolarHBondContact O-CB 3.47Å; F2094-A2098 PolarHBondContact O-N 3.38Å; A2098-C2100 VanDerWaalsContact C-N 3.27Å; A2098-C2100 PolarHBondContact O-N 2.89Å; A2098-L2101 PolarHBondContact O-N 3.16Å; A2098-Y2102 WeakPolarHBondContact O-CB 3.21Å; A2098-Y2102 PolarHBondContact O-N 3.2Å; A2098-F2126 HydrophobicContact CB-CZ 3.88Å; A2098-F2134 HydrophobicContact CB-CE2 4.04Å; A2098-F2134 HydrophobicContact CB-CZ 4.36Å |
| 2099 | T | 86.1 | Confident | 81.5 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 47% | 0.466 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 177 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | H2095 K2096 H2097 F2134 | H2095-T2099 WeakPolarHBondContact O-CB 3.31Å; H2095-T2099 PolarHBondContact O-N 3.24Å; H2095-T2099 PolarHBondContact O-OG1 2.65Å; K2096-T2099 PolarHBondContact O-N 2.96Å; H2097-T2099 VanDerWaalsContact C-N 3.34Å; H2097-T2099 PolarHBondContact O-N 3.26Å; T2099-F2134 WeakPolarHBondContact OG1-CE1 3.2Å; T2099-F2134 VanDerWaalsContact OG1-CZ 3.29Å; T2099-F2134 WeakPolarHBondContact OG1-CZ 3.36Å |
| 2100 | C | 85.5 | Confident | 81.7 | Confident | 57 Ų | 57 | 47.3 Ų | 47.3 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.2 | -41.7 | 179.4 | -172.7 | 0 | 0 | 0 | 0 | 112.7 | K2096 H2097 A2098 | K2096-C2100 PolarHBondContact O-N 3.22Å; H2097-C2100 PolarHBondContact O-N 3.22Å; A2098-C2100 VanDerWaalsContact C-N 3.27Å; A2098-C2100 PolarHBondContact O-N 2.89Å |
| 2101 | L | 87.4 | Confident | 81.5 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -92.3 | -16.9 | -168.6 | -60.9 | 175.6 | 0 | 0 | 0 | 114.1 | I2055 L2056 F2059 L2085 H2097 A2098 G2104 L2105 | I2055-L2101 HydrophobicContact CB-CD1 4.21Å; I2055-L2101 HydrophobicContact CB-CD2 4.01Å; I2055-L2101 HydrophobicContact CD1-CD1 4.09Å; I2055-L2101 HydrophobicContact CG2-CD1 3.83Å; I2055-L2101 HydrophobicContact CG2-CD2 3.83Å; I2055-L2101 HydrophobicContact CG2-CG 4.4Å; L2056-L2101 HydrophobicContact CB-CD2 4Å; L2056-L2101 HydrophobicContact CD1-CD2 4.31Å; F2059-L2101 HydrophobicContact CE2-CB 4.42Å; L2085-L2101 HydrophobicContact CD1-CD1 3.71Å; L2085-L2101 HydrophobicContact CD2-CD1 3.76Å; L2085-L2101 HydrophobicContact CG-CD1 4.4Å; H2097-L2101 HydrophobicContact CB-CD1 4.29Å; H2097-L2101 VanDerWaalsContact O-CB 3.31Å; H2097-L2101 WeakPolarHBondContact O-CB 3.47Å; H2097-L2101 WeakPolarHBondContact O-CG 3.5Å; H2097-L2101 PolarHBondContact O-N 2.68Å; A2098-L2101 PolarHBondContact O-N 3.16Å; L2101-G2104 PolarHBondContact O-N 2.94Å; L2101-L2105 PolarHBondContact O-N 2.74Å |
| 2102 | Y | 85.8 | Confident | 80.9 | Confident | 101 Ų | 101 | 47.3 Ų | 47.3 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.7 | -44 | -177.7 | -175.2 | -89.2 | 0 | 0 | 0 | 113.8 | A2098 L2105 C2106 F2126 L2127 C2130 | A2098-Y2102 WeakPolarHBondContact O-CB 3.21Å; A2098-Y2102 PolarHBondContact O-N 3.2Å; Y2102-L2105 PolarHBondContact O-N 3.45Å; Y2102-C2106 WeakPolarHBondContact CE1-SG 3.28Å; Y2102-C2106 PolarHBondContact O-N 2.93Å; Y2102-C2106 PolarHBondContact O-SG 2.97Å; Y2102-F2126 HydrophobicContact CD2-CE1 4.46Å; Y2102-L2127 HydrophobicContact CD2-CD2 4.08Å; Y2102-L2127 HydrophobicContact CE2-CD2 3.41Å; Y2102-L2127 VanDerWaalsContact CE2-CD2 3.41Å; Y2102-C2130 HydrophobicContact CD2-CB 4.16Å; Y2102-C2130 HydrophobicContact CE2-CB 4.06Å |
| 2103 | P | 84.6 | Confident | 80.3 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 176.4 | -23.4 | 34.7 | 0 | 0 | 0 | 112.3 | L2105 C2106 D2107 | P2103-L2105 VanDerWaalsContact C-N 3.28Å; P2103-L2105 PolarHBondContact O-N 2.97Å; P2103-C2106 WeakPolarHBondContact O-CB 3.07Å; P2103-C2106 PolarHBondContact O-N 3.4Å; P2103-D2107 PolarHBondContact O-N 3.41Å |
| 2104 | G | 82 | Confident | 79.8 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -34.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2101 L2108 | L2101-G2104 PolarHBondContact O-N 2.94Å; G2104-L2108 PolarHBondContact O-N 3.27Å |
| 2105 | L | 84 | Confident | 79.7 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.7 | -35.6 | 173 | -163.8 | 78.2 | 0 | 0 | 0 | 112.2 | F2059 I2082 L2101 Y2102 P2103 L2108 V2109 M2123 F2126 L2127 | F2059-L2105 HydrophobicContact CE1-CD1 4.38Å; F2059-L2105 HydrophobicContact CE2-CB 4.32Å; F2059-L2105 HydrophobicContact CE2-CD1 3.96Å; F2059-L2105 HydrophobicContact CZ-CD1 3.77Å; I2082-L2105 HydrophobicContact CD1-CD1 4.26Å; I2082-L2105 HydrophobicContact CG1-CD1 4.39Å; L2101-L2105 PolarHBondContact O-N 2.74Å; Y2102-L2105 PolarHBondContact O-N 3.45Å; P2103-L2105 VanDerWaalsContact C-N 3.28Å; P2103-L2105 PolarHBondContact O-N 2.97Å; L2105-L2108 HydrophobicContact CD1-CD1 4.29Å; L2105-L2108 WeakPolarHBondContact O-CB 3.37Å; L2105-L2108 PolarHBondContact O-N 2.99Å; L2105-V2109 PolarHBondContact O-N 3.38Å; L2105-V2109 VanDerWaalsContact O-N 3.17Å; L2105-M2123 HydrophobicContact CD1-CE 3.99Å; L2105-M2123 HydrophobicContact CD1-CG 3.95Å; L2105-M2123 HydrophobicContact CG-CE 3.88Å; L2105-M2123 HydrophobicContact CG-CG 4.42Å; L2105-M2123 WeakPolarHBondContact O-CE 3.29Å; L2105-F2126 HydrophobicContact CD2-CB 4.22Å; L2105-F2126 HydrophobicContact CD2-CD1 3.08Å; L2105-F2126 HydrophobicContact CD2-CE1 3.47Å; L2105-F2126 VanDerWaalsContact CD2-CE1 3.47Å; L2105-F2126 HydrophobicContact CD2-CG 3.8Å; L2105-F2126 HydrophobicContact CD2-CZ 4.45Å; L2105-L2127 HydrophobicContact CD2-CD2 4.3Å; L2105-L2127 HydrophobicContact CD2-CG 4.41Å |
| 2106 | C | 84.5 | Confident | 79.8 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 30% | 0.297 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67 | -37.4 | 176.7 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | Y2102 P2103 L2108 V2109 A2110 | Y2102-C2106 WeakPolarHBondContact CE1-SG 3.28Å; Y2102-C2106 PolarHBondContact O-N 2.93Å; Y2102-C2106 PolarHBondContact O-SG 2.97Å; P2103-C2106 WeakPolarHBondContact O-CB 3.07Å; P2103-C2106 PolarHBondContact O-N 3.4Å; C2106-L2108 PolarHBondContact O-N 3.1Å; C2106-V2109 WeakPolarHBondContact O-CB 3.49Å; C2106-V2109 PolarHBondContact O-N 2.72Å; C2106-A2110 PolarHBondContact O-N 3.34Å |
| 2107 | D | 81.6 | Confident | 79.8 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60 | -37.6 | 173.6 | -65.4 | -27.8 | 0 | 0 | 0 | 111 | H2063 P2103 A2110 | H2063-D2107 PolarHBondContact CD2-O 2.94Å; P2103-D2107 PolarHBondContact O-N 3.41Å; D2107-A2110 PolarHBondContact O-N 3.13Å |
| 2108 | L | 81.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 171.1 | -63.9 | 179.3 | 0 | 0 | 0 | 111.3 | F2059 Y2062 H2063 G2104 L2105 C2106 A2110 M2111 I2115 M2123 | F2059-L2108 HydrophobicContact CB-CD1 4.11Å; F2059-L2108 HydrophobicContact CB-CG 4.44Å; F2059-L2108 HydrophobicContact CD1-CD1 3.55Å; F2059-L2108 HydrophobicContact CE1-CD1 4.04Å; F2059-L2108 HydrophobicContact CG-CD1 3.83Å; Y2062-L2108 HydrophobicContact CD1-CD2 3.71Å; Y2062-L2108 HydrophobicContact CE1-CD2 4.47Å; H2063-L2108 HydrophobicContact CB-CD2 4.07Å; G2104-L2108 PolarHBondContact O-N 3.27Å; L2105-L2108 HydrophobicContact CD1-CD1 4.29Å; L2105-L2108 WeakPolarHBondContact O-CB 3.37Å; L2105-L2108 PolarHBondContact O-N 2.99Å; C2106-L2108 PolarHBondContact O-N 3.1Å; L2108-A2110 PolarHBondContact O-N 3.37Å; L2108-A2110 VanDerWaalsContact O-N 3.14Å; L2108-M2111 HydrophobicContact CB-CE 4.26Å; L2108-M2111 HydrophobicContact CD2-CE 3.25Å; L2108-M2111 HydrophobicContact CG-CE 4.34Å; L2108-M2111 WeakPolarHBondContact O-CB 3.29Å; L2108-M2111 PolarHBondContact O-N 2.68Å; L2108-I2115 HydrophobicContact CB-CD1 3.98Å; L2108-I2115 WeakPolarHBondContact O-CD1 3.11Å; L2108-M2123 HydrophobicContact CB-CE 3.53Å; L2108-M2123 HydrophobicContact CB-SD 4.38Å |
| 2109 | V | 78.7 | Confident | 79.7 | Confident | 77 Ų | 77 | 47.3 Ų | 47.3 | 47% | 0.467 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.2 | -34.8 | -179.9 | 178.9 | 0 | 0 | 0 | 0 | 112 | L2105 C2106 M2111 M2123 L2127 | L2105-V2109 PolarHBondContact O-N 3.38Å; L2105-V2109 VanDerWaalsContact O-N 3.17Å; C2106-V2109 WeakPolarHBondContact O-CB 3.49Å; C2106-V2109 PolarHBondContact O-N 2.72Å; V2109-M2111 PolarHBondContact O-N 3.47Å; V2109-M2123 HydrophobicContact CB-CE 4.29Å; V2109-M2123 HydrophobicContact CG2-CE 3.33Å; V2109-L2127 HydrophobicContact CG2-CD1 4.17Å |
| 2110 | A | 73.4 | Confident | 79.6 | Confident | 81 Ų | 81 | 45.8 Ų | 45.8 | 67% | 0.669 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C2106 D2107 L2108 A2112 | C2106-A2110 PolarHBondContact O-N 3.34Å; D2107-A2110 PolarHBondContact O-N 3.13Å; L2108-A2110 PolarHBondContact O-N 3.37Å; L2108-A2110 VanDerWaalsContact O-N 3.14Å; A2110-A2112 PolarHBondContact O-N 2.71Å |
| 2111 | M | 72.3 | Confident | 79.5 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | trans | -78.8 | 59.8 | 174.9 | -68.9 | -168.3 | -78.9 | 0 | 0 | 112.9 | Y2062 H2063 R2071 L2108 V2109 G2113 G2114 I2115 | Y2062-M2111 HydrophobicContact CD1-CE 4.07Å; Y2062-M2111 HydrophobicContact CE1-CE 4.2Å; H2063-M2111 HydrophobicContact CB-CE 3.96Å; H2063-M2111 HydrophobicContact CB-SD 4.38Å; R2071-M2111 PolarHBondContact NH1-SD 3.19Å; R2071-M2111 VanDerWaalsContact NH1-SD 3.37Å; R2071-M2111 PolarHBondContact NH2-SD 3.25Å; R2071-M2111 VanDerWaalsContact NH2-SD 3.38Å; L2108-M2111 HydrophobicContact CB-CE 4.26Å; L2108-M2111 HydrophobicContact CD2-CE 3.25Å; L2108-M2111 HydrophobicContact CG-CE 4.34Å; L2108-M2111 WeakPolarHBondContact O-CB 3.29Å; L2108-M2111 PolarHBondContact O-N 2.68Å; V2109-M2111 PolarHBondContact O-N 3.47Å; M2111-G2113 PolarHBondContact O-N 3.43Å; M2111-G2114 PolarHBondContact O-N 3.3Å; M2111-G2114 VanDerWaalsContact O-N 3.1Å; M2111-I2115 HydrophobicContact CB-CD1 4.43Å; M2111-I2115 HydrophobicContact CE-CD1 4.35Å; M2111-I2115 HydrophobicContact CE-CG1 4.38Å | ||
| 2112 | A | 57.2 | Low | 79.5 | Confident | 102 Ų | 102 | 43.5 Ų | 43.5 | 84% | 0.843 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 103.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A2110 | A2110-A2112 PolarHBondContact O-N 2.71Š|
| 2113 | G | 66.1 | Low | 79.5 | Confident | 86 Ų | 86 | 39 Ų | 39 | 89% | 0.887 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.4 | -13.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | M2111 | M2111-G2113 PolarHBondContact O-N 3.43Š|
| 2114 | G | 69.6 | Low | 79.4 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -106 | 4.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y2062 R2071 M2111 | Y2062-G2114 PolarHBondContact OH-O 3.31Å; R2071-G2114 PolarHBondContact NH1-O 2.78Å; M2111-G2114 PolarHBondContact O-N 3.3Å; M2111-G2114 VanDerWaalsContact O-N 3.1Å |
| 2115 | I | 79.6 | Confident | 79.5 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -109.2 | 136.6 | -179.8 | -67.2 | 170 | 0 | 0 | 0 | 108.9 | Y2062 L2108 M2111 V2119 A2120 M2123 | Y2062-I2115 HydrophobicContact CE1-CG1 4.35Å; L2108-I2115 HydrophobicContact CB-CD1 3.98Å; L2108-I2115 WeakPolarHBondContact O-CD1 3.11Å; M2111-I2115 HydrophobicContact CB-CD1 4.43Å; M2111-I2115 HydrophobicContact CE-CD1 4.35Å; M2111-I2115 HydrophobicContact CE-CG1 4.38Å; I2115-V2119 HydrophobicContact CG2-CB 3.64Å; I2115-V2119 HydrophobicContact CG2-CG1 3.55Å; I2115-A2120 HydrophobicContact CG2-CB 4.16Å; I2115-M2123 HydrophobicContact CD1-CE 4.38Å; I2115-M2123 HydrophobicContact CD1-SD 3.98Å; I2115-M2123 HydrophobicContact CG2-SD 4.3Å |
| 2116 | S | 83.4 | Confident | 79.5 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | trans | -63.2 | 143 | 176.8 | 64 | 0 | 0 | 0 | 0 | 110.9 | D2075 Q2118 V2119 A2120 | D2075-S2116 VanDerWaalsContact OD1-CB 3.26Å; D2075-S2116 WeakPolarHBondContact OD1-CB 3.42Å; D2075-S2116 PolarHBondContact OD1-OG 3.33Å; S2116-Q2118 PolarHBondContact O-N 2.96Å; S2116-V2119 PolarHBondContact O-N 3.47Å; S2116-V2119 VanDerWaalsContact OG-CG2 3.22Å; S2116-V2119 WeakPolarHBondContact OG-CG2 3.46Å; S2116-A2120 PolarHBondContact O-N 3.2Å | ||
| 2117 | P | 81.3 | Confident | 79.5 | Confident | 83 Ų | 83 | 41.9 Ų | 41.9 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -53.3 | -32.5 | -179.8 | -27.8 | 34.3 | 0 | 0 | 0 | 113.5 | A1857 A2121 | A1857-P2117 HydrophobicContact CB-CB 4.09Å; A1857-P2117 VanDerWaalsContact CB-O 3.28Å; A1857-P2117 WeakPolarHBondContact CB-O 3.36Å; P2117-A2121 WeakPolarHBondContact O-CB 3.4Å; P2117-A2121 PolarHBondContact O-N 2.89Å |
| 2118 | Q | 84.1 | Confident | 79.5 | Confident | 36 Ų | 36 | 43.2 Ų | 43.2 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -50.4 | 177.1 | -62.6 | 79.2 | 10.1 | 0 | 0 | 111.6 | L1850 A1853 R1854 S2116 A2121 L2122 | L1850-Q2118 HydrophobicContact CD1-CG 4.39Å; A1853-Q2118 HydrophobicContact CB-CB 3.84Å; A1853-Q2118 HydrophobicContact CB-CG 4.47Å; R1854-Q2118 HydrophobicContact CB-CG 4.27Å; R1854-Q2118 HydrophobicContact CG-CG 3.39Å; S2116-Q2118 PolarHBondContact O-N 2.96Å; Q2118-A2121 PolarHBondContact O-N 3.14Å; Q2118-L2122 PolarHBondContact O-N 3.37Å |
| 2119 | V | 85.2 | Confident | 79.5 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | L2078 V2079 I2082 I2115 S2116 A2121 L2122 M2123 | L2078-V2119 HydrophobicContact CB-CG1 4.29Å; L2078-V2119 HydrophobicContact CB-CG2 3.83Å; L2078-V2119 HydrophobicContact CD1-CG1 4.11Å; L2078-V2119 HydrophobicContact CD1-CG2 4.25Å; V2079-V2119 HydrophobicContact CG2-CG2 4.01Å; I2082-V2119 HydrophobicContact CD1-CG1 3.79Å; I2115-V2119 HydrophobicContact CG2-CB 3.64Å; I2115-V2119 HydrophobicContact CG2-CG1 3.55Å; S2116-V2119 PolarHBondContact O-N 3.47Å; S2116-V2119 VanDerWaalsContact OG-CG2 3.22Å; S2116-V2119 WeakPolarHBondContact OG-CG2 3.46Å; V2119-A2121 VanDerWaalsContact C-N 3.28Å; V2119-A2121 PolarHBondContact O-N 3.17Å; V2119-L2122 PolarHBondContact O-N 3.36Å; V2119-L2122 VanDerWaalsContact O-N 3.15Å; V2119-M2123 HydrophobicContact CG1-CG 4.21Å; V2119-M2123 HydrophobicContact CG1-SD 3.94Å; V2119-M2123 VanDerWaalsContact O-CG 3.25Å; V2119-M2123 WeakPolarHBondContact O-CG 3.17Å; V2119-M2123 PolarHBondContact O-N 2.97Å |
| 2120 | A | 84 | Confident | 79.5 | Confident | 45 Ų | 45 | 41 Ų | 41 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.2 | -38.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I2115 S2116 M2123 R2124 | I2115-A2120 HydrophobicContact CG2-CB 4.16Å; S2116-A2120 PolarHBondContact O-N 3.2Å; A2120-M2123 PolarHBondContact O-N 3.01Å; A2120-R2124 PolarHBondContact O-N 3.32Å |
| 2121 | A | 83.2 | Confident | 79.6 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1856 A1857 P2117 Q2118 V2119 R2124 V2125 | L1856-A2121 HydrophobicContact CB-CB 4Å; A1857-A2121 VanDerWaalsContact CA-CB 3.46Å; A1857-A2121 HydrophobicContact CB-CB 3.81Å; P2117-A2121 WeakPolarHBondContact O-CB 3.4Å; P2117-A2121 PolarHBondContact O-N 2.89Å; Q2118-A2121 PolarHBondContact O-N 3.14Å; V2119-A2121 VanDerWaalsContact C-N 3.28Å; V2119-A2121 PolarHBondContact O-N 3.17Å; A2121-R2124 WeakPolarHBondContact O-CB 2.93Å; A2121-R2124 PolarHBondContact O-N 3.02Å; A2121-V2125 WeakPolarHBondContact O-CG2 3.38Å; A2121-V2125 PolarHBondContact O-N 3.26Å |
| 2122 | L | 86.6 | Confident | 79.5 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 174.9 | -70.6 | 174 | 0 | 0 | 0 | 111.5 | A1853 L1856 V2079 I2082 T2083 I2086 Q2118 V2119 R2124 V2125 F2126 | A1853-L2122 HydrophobicContact CB-CD1 3.65Å; A1853-L2122 HydrophobicContact CB-CD2 4.4Å; A1853-L2122 HydrophobicContact CB-CG 3.92Å; L1856-L2122 HydrophobicContact CD1-CD2 3.66Å; V2079-L2122 HydrophobicContact CB-CD1 4.22Å; V2079-L2122 HydrophobicContact CG1-CD1 4.07Å; V2079-L2122 HydrophobicContact CG2-CD1 4.13Å; I2082-L2122 HydrophobicContact CB-CB 4.15Å; I2082-L2122 HydrophobicContact CG2-CB 3.63Å; T2083-L2122 WeakPolarHBondContact OG1-CD1 3.21Å; I2086-L2122 HydrophobicContact CD1-CB 4.43Å; I2086-L2122 HydrophobicContact CD1-CD2 4.33Å; I2086-L2122 WeakPolarHBondContact CD1-O 3.34Å; Q2118-L2122 PolarHBondContact O-N 3.37Å; V2119-L2122 PolarHBondContact O-N 3.36Å; V2119-L2122 VanDerWaalsContact O-N 3.15Å; L2122-R2124 VanDerWaalsContact C-N 3.26Å; L2122-R2124 PolarHBondContact O-N 3.34Å; L2122-V2125 PolarHBondContact O-N 3.03Å; L2122-F2126 PolarHBondContact O-N 3.2Å |
| 2123 | M | 85.4 | Confident | 79.9 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.2 | -42.4 | 175.1 | -69.1 | 174.1 | 76.2 | 0 | 0 | 111.6 | I2082 L2105 L2108 V2109 I2115 V2119 A2120 V2125 F2126 L2127 | I2082-M2123 HydrophobicContact CD1-CG 3.81Å; L2105-M2123 HydrophobicContact CD1-CE 3.99Å; L2105-M2123 HydrophobicContact CD1-CG 3.95Å; L2105-M2123 HydrophobicContact CG-CE 3.88Å; L2105-M2123 HydrophobicContact CG-CG 4.42Å; L2105-M2123 WeakPolarHBondContact O-CE 3.29Å; L2108-M2123 HydrophobicContact CB-CE 3.53Å; L2108-M2123 HydrophobicContact CB-SD 4.38Å; V2109-M2123 HydrophobicContact CB-CE 4.29Å; V2109-M2123 HydrophobicContact CG2-CE 3.33Å; I2115-M2123 HydrophobicContact CD1-CE 4.38Å; I2115-M2123 HydrophobicContact CD1-SD 3.98Å; I2115-M2123 HydrophobicContact CG2-SD 4.3Å; V2119-M2123 HydrophobicContact CG1-CG 4.21Å; V2119-M2123 HydrophobicContact CG1-SD 3.94Å; V2119-M2123 VanDerWaalsContact O-CG 3.25Å; V2119-M2123 WeakPolarHBondContact O-CG 3.17Å; V2119-M2123 PolarHBondContact O-N 2.97Å; A2120-M2123 PolarHBondContact O-N 3.01Å; M2123-V2125 VanDerWaalsContact C-N 3.34Å; M2123-V2125 PolarHBondContact O-N 3.11Å; M2123-F2126 PolarHBondContact O-N 2.9Å; M2123-L2127 WeakPolarHBondContact O-CB 3.36Å; M2123-L2127 VanDerWaalsContact O-CG 3.28Å; M2123-L2127 WeakPolarHBondContact O-CG 3.26Å; M2123-L2127 PolarHBondContact O-N 2.98Å |
| 2124 | R | 83.8 | Confident | 80.2 | Confident | 109 Ų | 109 | 39.8 Ų | 39.8 | 41% | 0.411 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 174.7 | -179.9 | -176.3 | 177.4 | 175.3 | 2.5 | 111.6 | A2120 A2121 L2122 L2127 L2128 | A2120-R2124 PolarHBondContact O-N 3.32Å; A2121-R2124 WeakPolarHBondContact O-CB 2.93Å; A2121-R2124 PolarHBondContact O-N 3.02Å; L2122-R2124 VanDerWaalsContact C-N 3.26Å; L2122-R2124 PolarHBondContact O-N 3.34Å; R2124-L2127 PolarHBondContact O-N 3.31Å; R2124-L2128 HydrophobicContact CG-CD1 4.15Å; R2124-L2128 WeakPolarHBondContact O-CB 3.37Å; R2124-L2128 VanDerWaalsContact O-CG 3.25Å; R2124-L2128 WeakPolarHBondContact O-CG 3.21Å; R2124-L2128 PolarHBondContact O-N 3.28Å |
| 2125 | V | 83.3 | Confident | 79.8 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -42.1 | 178.4 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | L1856 I2086 A2121 L2122 M2123 L2128 R2129 | L1856-V2125 HydrophobicContact CD1-CG2 4.47Å; L1856-V2125 HydrophobicContact CD2-CG2 4.39Å; I2086-V2125 HydrophobicContact CD1-CB 3.96Å; I2086-V2125 HydrophobicContact CD1-CG1 3.97Å; I2086-V2125 HydrophobicContact CG1-CG1 4.47Å; I2086-V2125 HydrophobicContact CG2-CG1 3.95Å; A2121-V2125 WeakPolarHBondContact O-CG2 3.38Å; A2121-V2125 PolarHBondContact O-N 3.26Å; L2122-V2125 PolarHBondContact O-N 3.03Å; M2123-V2125 VanDerWaalsContact C-N 3.34Å; M2123-V2125 PolarHBondContact O-N 3.11Å; V2125-L2128 PolarHBondContact O-N 3.34Å; V2125-R2129 PolarHBondContact O-N 3.19Å |
| 2126 | F | 84.8 | Confident | 78.3 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 175.1 | -179.3 | -85.2 | 0 | 0 | 0 | 111.8 | I2082 L2085 I2086 F2094 A2098 Y2102 L2105 L2122 M2123 L2128 R2129 C2130 | I2082-F2126 HydrophobicContact CG2-CB 4.19Å; L2085-F2126 HydrophobicContact CB-CD2 4.24Å; L2085-F2126 HydrophobicContact CB-CE2 4.01Å; L2085-F2126 HydrophobicContact CD1-CE2 4.27Å; I2086-F2126 HydrophobicContact CD1-CB 4Å; I2086-F2126 HydrophobicContact CG1-CB 3.78Å; I2086-F2126 HydrophobicContact CG1-CD2 4.04Å; I2086-F2126 HydrophobicContact CG1-CG 4.42Å; F2094-F2126 HydrophobicContact CD2-CE2 4.49Å; F2094-F2126 AromaticContact CE2-CD2 3.76Å; F2094-F2126 HydrophobicContact CE2-CD2 3.76Å; F2094-F2126 AromaticContact CE2-CE2 3.48Å; F2094-F2126 HydrophobicContact CE2-CE2 3.48Å; F2094-F2126 VanDerWaalsContact CE2-CE2 3.48Å; F2094-F2126 HydrophobicContact CE2-CZ 4.22Å; F2094-F2126 HydrophobicContact CZ-CD2 4.17Å; F2094-F2126 AromaticContact CZ-CE2 3.98Å; F2094-F2126 HydrophobicContact CZ-CE2 3.98Å; F2094-F2126 HydrophobicContact CZ-CZ 4.35Å; A2098-F2126 HydrophobicContact CB-CZ 3.88Å; Y2102-F2126 HydrophobicContact CD2-CE1 4.46Å; L2105-F2126 HydrophobicContact CD2-CB 4.22Å; L2105-F2126 HydrophobicContact CD2-CD1 3.08Å; L2105-F2126 HydrophobicContact CD2-CE1 3.47Å; L2105-F2126 VanDerWaalsContact CD2-CE1 3.47Å; L2105-F2126 HydrophobicContact CD2-CG 3.8Å; L2105-F2126 HydrophobicContact CD2-CZ 4.45Å; L2122-F2126 PolarHBondContact O-N 3.2Å; M2123-F2126 PolarHBondContact O-N 2.9Å; F2126-L2128 VanDerWaalsContact C-N 3.31Å; F2126-L2128 PolarHBondContact O-N 2.73Å; F2126-R2129 CarbonylContact O-C 3.46Å; F2126-R2129 WeakPolarHBondContact O-CA 3.4Å; F2126-R2129 WeakPolarHBondContact O-CB 3.35Å; F2126-R2129 PolarHBondContact O-N 2.95Å; F2126-R2129 VanDerWaalsContact O-N 3.08Å; F2126-C2130 WeakPolarHBondContact CE1-SG 3.18Å; F2126-C2130 PolarHBondContact O-N 3.43Å; F2126-C2130 PolarHBondContact O-SG 3.4Å; F2126-C2130 VanDerWaalsContact O-SG 3.39Å |
| 2127 | L | 83.8 | Confident | 76.5 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 179 | -69.7 | 172.2 | 0 | 0 | 0 | 112 | Y2102 L2105 V2109 M2123 R2124 C2130 G2131 | Y2102-L2127 HydrophobicContact CD2-CD2 4.08Å; Y2102-L2127 HydrophobicContact CE2-CD2 3.41Å; Y2102-L2127 VanDerWaalsContact CE2-CD2 3.41Å; L2105-L2127 HydrophobicContact CD2-CD2 4.3Å; L2105-L2127 HydrophobicContact CD2-CG 4.41Å; V2109-L2127 HydrophobicContact CG2-CD1 4.17Å; M2123-L2127 WeakPolarHBondContact O-CB 3.36Å; M2123-L2127 VanDerWaalsContact O-CG 3.28Å; M2123-L2127 WeakPolarHBondContact O-CG 3.26Å; M2123-L2127 PolarHBondContact O-N 2.98Å; R2124-L2127 PolarHBondContact O-N 3.31Å; L2127-C2130 WeakPolarHBondContact O-CB 3.36Å; L2127-C2130 PolarHBondContact O-N 2.91Å; L2127-G2131 PolarHBondContact O-N 3.18Å |
| 2128 | L | 82.4 | Confident | 74.6 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 172.8 | -73.3 | 169.4 | 0 | 0 | 0 | 111.4 | R2124 V2125 F2126 G2131 T2132 | R2124-L2128 HydrophobicContact CG-CD1 4.15Å; R2124-L2128 WeakPolarHBondContact O-CB 3.37Å; R2124-L2128 VanDerWaalsContact O-CG 3.25Å; R2124-L2128 WeakPolarHBondContact O-CG 3.21Å; R2124-L2128 PolarHBondContact O-N 3.28Å; V2125-L2128 PolarHBondContact O-N 3.34Å; F2126-L2128 VanDerWaalsContact C-N 3.31Å; F2126-L2128 PolarHBondContact O-N 2.73Å; L2128-G2131 PolarHBondContact O-N 2.94Å; L2128-T2132 PolarHBondContact O-N 3.2Å |
| 2129 | R | 81 | Confident | 72.5 | Confident | 29 Ų | 29 | 63.9 Ų | 63.9 | 11% | 0.109 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 174.8 | -163.6 | 180 | -175.6 | -153 | -3.2 | 111 | L2085 I2086 L2088 F2094 V2125 F2126 G2131 T2132 F2133 | L2085-R2129 PolarHBondContact O-NH1 2.74Å; I2086-R2129 VanDerWaalsContact O-CZ 3.3Å; I2086-R2129 PolarHBondContact O-NH1 2.72Å; L2088-R2129 PolarHBondContact O-NH1 3Å; L2088-R2129 VanDerWaalsContact O-NH1 3.09Å; L2088-R2129 PolarHBondContact O-NH2 3Å; F2094-R2129 HydrophobicContact CD1-CG 4.13Å; F2094-R2129 VanDerWaalsContact CD2-NH1 3.29Å; F2094-R2129 HydrophobicContact CE1-CB 4.02Å; F2094-R2129 HydrophobicContact CE1-CG 3.58Å; F2094-R2129 HydrophobicContact CE2-CG 4.33Å; F2094-R2129 HydrophobicContact CZ-CB 3.76Å; F2094-R2129 HydrophobicContact CZ-CG 3.69Å; V2125-R2129 PolarHBondContact O-N 3.19Å; F2126-R2129 CarbonylContact O-C 3.46Å; F2126-R2129 WeakPolarHBondContact O-CA 3.4Å; F2126-R2129 WeakPolarHBondContact O-CB 3.35Å; F2126-R2129 PolarHBondContact O-N 2.95Å; F2126-R2129 VanDerWaalsContact O-N 3.08Å; R2129-G2131 VanDerWaalsContact C-N 3.33Å; R2129-G2131 PolarHBondContact O-N 2.96Å; R2129-T2132 PolarHBondContact O-N 2.98Å; R2129-T2132 PolarHBondContact O-OG1 3.08Å; R2129-F2133 WeakPolarHBondContact O-CD2 3.37Å |
| 2130 | C | 80 | Confident | 70.3 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.014 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.2 | -43.6 | 172.1 | -68.6 | 0 | 0 | 0 | 0 | 112 | Y2102 F2126 L2127 T2132 F2133 F2134 | Y2102-C2130 HydrophobicContact CD2-CB 4.16Å; Y2102-C2130 HydrophobicContact CE2-CB 4.06Å; F2126-C2130 WeakPolarHBondContact CE1-SG 3.18Å; F2126-C2130 PolarHBondContact O-N 3.43Å; F2126-C2130 PolarHBondContact O-SG 3.4Å; F2126-C2130 VanDerWaalsContact O-SG 3.39Å; L2127-C2130 WeakPolarHBondContact O-CB 3.36Å; L2127-C2130 PolarHBondContact O-N 2.91Å; C2130-T2132 PolarHBondContact O-N 2.99Å; C2130-F2133 PolarHBondContact O-N 3.01Å; C2130-F2134 HydrophobicContact CB-CD2 3.95Å; C2130-F2134 HydrophobicContact CB-CE2 4.29Å; C2130-F2134 VanDerWaalsContact O-CD2 3.28Å; C2130-F2134 WeakPolarHBondContact O-CD2 3.39Å; C2130-F2134 PolarHBondContact O-N 3.36Å |
| 2131 | G | 74.7 | Confident | 67.9 | Low | 21 Ų | 21 | 70.5 Ų | 70.5 | 22% | 0.216 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -55.7 | -36.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L2127 L2128 R2129 F2133 I2135 | L2127-G2131 PolarHBondContact O-N 3.18Å; L2128-G2131 PolarHBondContact O-N 2.94Å; R2129-G2131 VanDerWaalsContact C-N 3.33Å; R2129-G2131 PolarHBondContact O-N 2.96Å; G2131-F2133 PolarHBondContact O-N 3.4Å; G2131-I2135 WeakPolarHBondContact O-CB 3.15Å; G2131-I2135 PolarHBondContact O-N 3.24Å |
| 2132 | T | 70.3 | Confident | 65.4 | Low | 78 Ų | 78 | 74.3 Ų | 74.3 | 48% | 0.479 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.9 | -18.8 | 177 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | T1953 L2128 R2129 C2130 | T1953-T2132 HydrophobicContact CG2-CG2 4.47Å; L2128-T2132 PolarHBondContact O-N 3.2Å; R2129-T2132 PolarHBondContact O-N 2.98Å; R2129-T2132 PolarHBondContact O-OG1 3.08Å; C2130-T2132 PolarHBondContact O-N 2.99Å |
| 2133 | F | 66.4 | Low | 62.6 | Low | 89 Ų | 89 | 77.4 Ų | 77.4 | 39% | 0.39 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -108.4 | -40 | -178.9 | -76.8 | -81.3 | 0 | 0 | 0 | 113.8 | F2094 R2129 C2130 G2131 | F2094-F2133 HydrophobicContact CD1-CD2 4.17Å; F2094-F2133 HydrophobicContact CD1-CE2 4.37Å; F2094-F2133 HydrophobicContact CE1-CD2 4.28Å; R2129-F2133 WeakPolarHBondContact O-CD2 3.37Å; C2130-F2133 PolarHBondContact O-N 3.01Å; G2131-F2133 PolarHBondContact O-N 3.4Å |
| 2134 | F | 70.5 | Confident | 59.8 | Low | 81 Ų | 81 | 82.5 Ų | 82.5 | 36% | 0.355 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -96 | -16.9 | -172 | -64.6 | -77.1 | 0 | 0 | 0 | 114.1 | H2095 A2098 T2099 C2130 P2136 | H2095-F2134 AromaticContact CE1-CD1 3.72Å; H2095-F2134 AromaticContact CE1-CE1 3.11Å; H2095-F2134 WeakPolarHBondContact CE1-CE1 3.27Å; H2095-F2134 AromaticContact CE1-CZ 3.49Å; H2095-F2134 VanDerWaalsContact CE1-CZ 3.49Å; H2095-F2134 WeakPolarHBondContact CE1-CZ 3.17Å; H2095-F2134 AromaticContact ND1-CE1 3.53Å; H2095-F2134 AromaticContact ND1-CE2 3.99Å; H2095-F2134 AromaticContact ND1-CZ 3.37Å; H2095-F2134 WeakPolarHBondContact ND1-CZ 3.35Å; H2095-F2134 AromaticContact NE2-CE1 3.94Å; A2098-F2134 HydrophobicContact CB-CE2 4.04Å; A2098-F2134 HydrophobicContact CB-CZ 4.36Å; T2099-F2134 WeakPolarHBondContact OG1-CE1 3.2Å; T2099-F2134 VanDerWaalsContact OG1-CZ 3.29Å; T2099-F2134 WeakPolarHBondContact OG1-CZ 3.36Å; C2130-F2134 HydrophobicContact CB-CD2 3.95Å; C2130-F2134 HydrophobicContact CB-CE2 4.29Å; C2130-F2134 VanDerWaalsContact O-CD2 3.28Å; C2130-F2134 WeakPolarHBondContact O-CD2 3.39Å; C2130-F2134 PolarHBondContact O-N 3.36Å; F2134-P2136 WeakPolarHBondContact O-CD 3.42Å |
| 2135 | I | 62.3 | Low | 57.2 | Low | 117 Ų | 117 | 85.2 Ų | 85.2 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -100.5 | 108.5 | 177.9 | -54.4 | 173.3 | 0 | 0 | 0 | 108.1 | G2131 M2137 | G2131-I2135 WeakPolarHBondContact O-CB 3.15Å; G2131-I2135 PolarHBondContact O-N 3.24Å; I2135-M2137 PolarHBondContact O-N 3.25Å; I2135-M2137 VanDerWaalsContact O-N 3.11Å |
| 2136 | P | 47.3 | Very low | 54.6 | Low | 111 Ų | 111 | 89.5 Ų | 89.5 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | trans | -65.4 | 115 | 177.7 | -15.4 | 29.1 | 0 | 0 | 0 | 109.6 | F2134 T2138 | F2134-P2136 WeakPolarHBondContact O-CD 3.42Å; P2136-T2138 PolarHBondContact O-N 2.94Å | ||
| 2137 | M | 46.5 | Very low | 51.9 | Low | 161 Ų | 161 | 95.7 Ų | 95.7 | 79% | 0.793 | 61% | 0.611 | S | S | * | * | trans | -59.9 | 102.2 | 174.4 | -75.4 | -86.1 | -118.2 | 0 | 0 | 109.7 | L1950 I2135 N2139 | L1950-M2137 HydrophobicContact CD2-CE 4.35Å; I2135-M2137 PolarHBondContact O-N 3.25Å; I2135-M2137 VanDerWaalsContact O-N 3.11Å; M2137-N2139 PolarHBondContact O-N 3.21Å | ||
| 2138 | T | 42.1 | Very low | 49.2 | Very low | 132 Ų | 132 | 101.8 Ų | 101.8 | 81% | 0.81 | 64% | 0.64 | S | S | * | * | trans | -74.1 | 115.3 | 169.5 | 47.7 | 0 | 0 | 0 | 0 | 108.5 | P2136 A2140 | P2136-T2138 PolarHBondContact O-N 2.94Å; T2138-A2140 PolarHBondContact O-N 3.36Å | ||
| 2139 | N | 40 | Very low | 46.5 | Very low | 168 Ų | 168 | 106 Ų | 106 | 90% | 0.898 | 65% | 0.654 | S | S | * | * | trans | -52.6 | 107.1 | 176.8 | -95.9 | -13.8 | 0 | 0 | 0 | 110.6 | M2137 G2141 | M2137-N2139 PolarHBondContact O-N 3.21Å; N2139-G2141 PolarHBondContact O-N 3.25Å | ||
| 2140 | A | 38.6 | Very low | 44 | Very low | 113 Ų | 113 | 112.3 Ų | 112.3 | 93% | 0.934 | 69% | 0.688 | S | S | * | * | trans | -73 | 89.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T2138 | T2138-A2140 PolarHBondContact O-N 3.36Š| ||
| 2141 | G | 33.4 | Very low | 41.5 | Very low | 72 Ų | 72 | 120.9 Ų | 120.9 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | -143.7 | 72.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N2139 | N2139-G2141 PolarHBondContact O-N 3.25Š| ||
| 2142 | G | 29.5 | Very low | 39.3 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 88% | 0.876 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 84.9 | 117.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 2143 | G | 27.9 | Very low | 37.2 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 102.1 | 87.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2144 | S | 28 | Very low | 35.5 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | 43.6 | 113.6 | 137.1 | 46.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2145 | N | 29.2 | Very low | 33.8 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | 59.6 | 92.8 | 144.4 | -66.5 | -7.5 | 0 | 0 | 0 | 119.3 | ||||
| 2146 | S | 28.8 | Very low | 32.2 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | -152.7 | 118.5 | 127.9 | 62 | 0 | 0 | 0 | 0 | 111 | M2148 | S2146-M2148 PolarHBondContact O-N 3.09Š| |||
| 2147 | C | 26.8 | Very low | 31.4 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 90% | 0.899 | 86% | 0.861 | S | S | * | * | trans | -70.2 | 110.5 | 169.6 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2148 | M | 26.5 | Very low | 30.5 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 88% | 0.877 | 87% | 0.865 | S | S | * | * | trans | -75.3 | 137.6 | 172.7 | -91 | -158.7 | -178.3 | 0 | 0 | 111 | S2146 | S2146-M2148 PolarHBondContact O-N 3.09Š| ||
| 2149 | K | 27.6 | Very low | 29.8 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 85% | 0.852 | 87% | 0.869 | S | S | * | * | trans | -65.5 | 138.3 | 175.2 | -75.7 | 172.4 | 172.2 | 175.5 | 0 | 110.6 | E2151 | K2149-E2151 PolarHBondContact O-N 3.46Š| ||
| 2150 | I | 28.3 | Very low | 29.1 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 83% | 0.831 | 87% | 0.867 | S | S | * | * | trans | -61.6 | 110.2 | 165.7 | -63.1 | 164.9 | 0 | 0 | 0 | 107.3 | ||||
| 2151 | E | 26 | Very low | 28.4 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 86% | 0.855 | 86% | 0.862 | S | S | * | * | trans | -80.7 | 128.2 | 167.4 | -88.4 | -173.8 | 163.8 | 0 | 0 | 109.4 | K2149 S2153 | K2149-E2151 PolarHBondContact O-N 3.46Å; E2151-S2153 PolarHBondContact O-N 3.42Å | ||
| 2152 | N | 28.7 | Very low | 28.1 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 85% | 0.845 | 87% | 0.871 | S | S | * | * | trans | -60 | 112.3 | 178.8 | -68.8 | -34.1 | 0 | 0 | 0 | 111.3 | ||||
| 2153 | S | 27 | Very low | 27.9 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 80% | 0.804 | 87% | 0.871 | S | S | * | * | trans | -151.2 | 79.1 | 141.7 | 64.9 | 0 | 0 | 0 | 0 | 108 | E2151 | E2151-S2153 PolarHBondContact O-N 3.42Š| ||
| 2154 | S | 30.4 | Very low | 27.9 | Very low | 189 Ų | 189 | 154.8 Ų | 154.8 | 100% | 1.322 | 89% | 0.885 | S | S | * | * | trans | -78.1 | 0 | 150.8 | 58.5 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 2,154 of 2,154 residues in 598.9 ms
(Link to these results)