| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 38.8 | Very low | 251 Ų | 251 | 163.6 Ų | 163.6 | 100% | 1.236 | 85% | 0.854 | S | S | * | * | 0 | 125.9 | 0 | -83.2 | 170.8 | 174.4 | 0 | 0 | 107.9 | |||||
| 2 | T | 39.5 | Very low | 38.7 | Very low | 118 Ų | 118 | 162 Ų | 162 | 72% | 0.724 | 86% | 0.856 | S | S | * | * | trans | -63 | 146.3 | 175 | 37.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | M | 38.4 | Very low | 38.4 | Very low | 173 Ų | 173 | 161.2 Ų | 161.2 | 85% | 0.852 | 85% | 0.852 | S | S | * | * | 161.1 | 131.6 | 112.2 | -75.9 | -55.8 | 174.5 | 0 | 0 | 111.3 | |||||
| 4 | E | 46 | Very low | 38.5 | Very low | 182 Ų | 182 | 163.1 Ų | 163.1 | 85% | 0.85 | 85% | 0.854 | S | S | * | * | trans | -59.5 | 156.5 | 172.7 | -57.6 | -83.2 | 117.1 | 0 | 0 | 113.6 | ||||
| 5 | T | 40.4 | Very low | 38 | Very low | 149 Ų | 149 | 165.1 Ų | 165.1 | 91% | 0.914 | 85% | 0.853 | S | S | * | * | trans | -162.4 | 131 | 147.8 | 8.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 6 | L | 37.2 | Very low | 37.9 | Very low | 167 Ų | 167 | 161.5 Ų | 161.5 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -74.7 | 150.1 | -174.3 | 175.8 | 132.8 | 0 | 0 | 0 | 113.9 | ||||
| 7 | P | 44.3 | Very low | 38.4 | Very low | 103 Ų | 103 | 159 Ų | 159 | 67% | 0.669 | 84% | 0.842 | S | S | * | * | trans | -112.7 | 156.2 | 179 | 39.4 | -29.3 | 0 | 0 | 0 | 115.6 | ||||
| 8 | K | 33.7 | Very low | 38.3 | Very low | 206 Ų | 206 | 158.6 Ų | 158.6 | 90% | 0.896 | 84% | 0.835 | S | S | * | * | trans | 85.5 | 103.7 | 148.2 | -76.8 | 174.1 | 178.7 | 179 | 0 | 120.4 | ||||
| 9 | V | 34.8 | Very low | 39 | Very low | 138 Ų | 138 | 155.4 Ų | 155.4 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | -117 | 125.6 | 149.1 | 171 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 10 | L | 37.8 | Very low | 39.2 | Very low | 143 Ų | 143 | 155.2 Ų | 155.2 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | trans | -169.7 | 100.7 | 162.2 | -108 | 142.3 | 0 | 0 | 0 | 107.3 | ||||
| 11 | E | 36.7 | Very low | 39.5 | Very low | 170 Ų | 170 | 155.1 Ų | 155.1 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | 79.3 | 123.9 | 110.9 | -69.9 | -164 | 142.9 | 0 | 0 | 114.2 | |||||
| 12 | V | 37.1 | Very low | 39.8 | Very low | 144 Ų | 144 | 151.7 Ų | 151.7 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | -168.5 | 117 | 142.6 | 140.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 13 | D | 35.3 | Very low | 40 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | 84.1 | 117.9 | 138.5 | -139.1 | -115.1 | 0 | 0 | 0 | 121.6 | ||||
| 14 | E | 39.1 | Very low | 40.2 | Very low | 188 Ų | 188 | 150.4 Ų | 150.4 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -109.9 | 118 | 179.6 | -174.4 | -169.6 | 126.7 | 0 | 0 | 107.9 | ||||
| 15 | K | 31.6 | Very low | 39.8 | Very low | 193 Ų | 193 | 145.5 Ų | 145.5 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -156.1 | 103.5 | 159.3 | -158.3 | 151.9 | -177 | 174.4 | 0 | 115.2 | ||||
| 16 | S | 35.6 | Very low | 40 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 51 | 134 | 144.6 | -156 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 17 | P | 47.1 | Very low | 40.5 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -91.4 | 139.5 | 179 | 36.3 | -30.6 | 0 | 0 | 0 | 112.4 | ||||
| 18 | E | 36.6 | Very low | 40.5 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | trans | -131.1 | 103.7 | 163.5 | -128.9 | -166.8 | 117.8 | 0 | 0 | 109.7 | K20 | E18-K20 VanDerWaalsContact OE1-CE 3.26Å; E18-K20 WeakPolarHBondContact OE1-CE 3.19Å; E18-K20 IonicContact OE1-NZ 2.6Å; E18-K20 PolarHBondContact OE1-NZ 3.49Å; E18-K20 IonicContact OE2-NZ 3.9Å | ||
| 19 | A | 51.3 | Low | 41.4 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -77.2 | 130.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 20 | K | 43.1 | Very low | 42.2 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | -158.6 | 102.6 | 156.6 | 40.3 | -163.6 | 172.2 | -161.3 | 0 | 109.9 | E18 | E18-K20 VanDerWaalsContact OE1-CE 3.26Å; E18-K20 WeakPolarHBondContact OE1-CE 3.19Å; E18-K20 IonicContact OE1-NZ 2.6Å; E18-K20 PolarHBondContact OE1-NZ 3.49Å; E18-K20 IonicContact OE2-NZ 3.9Å | ||
| 21 | D | 46.3 | Very low | 42.8 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 8.8 | 110.6 | 147.2 | -55.9 | -79.6 | 0 | 0 | 0 | 117.3 | ||||
| 22 | L | 44 | Very low | 43.3 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | trans | -151.3 | 109.7 | 139.3 | -84.2 | -172.9 | 0 | 0 | 0 | 111.1 | ||||
| 23 | L | 43.2 | Very low | 44.1 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | 97 | 98.6 | 148.8 | -136.2 | -122 | 0 | 0 | 0 | 119 | S25 | L23-S25 VanDerWaalsContact CD1-OG 3.31Å; L23-S25 WeakPolarHBondContact CD1-OG 3.43Å | ||
| 24 | P | 43.6 | Very low | 45.1 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -94.9 | 108.5 | 160.8 | 33.2 | -22.1 | 0 | 0 | 0 | 109.6 | ||||
| 25 | S | 36.3 | Very low | 45.3 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 56% | 0.559 | 79% | 0.785 | S | S | * | * | trans | -157.6 | 96.3 | 162.9 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | L23 | L23-S25 VanDerWaalsContact CD1-OG 3.31Å; L23-S25 WeakPolarHBondContact CD1-OG 3.43Å | ||
| 26 | Q | 44.5 | Very low | 46.1 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | 59.6 | 119.8 | 128.7 | -69.1 | -138.1 | -22.6 | 0 | 0 | 119.5 | |||||
| 27 | T | 48.8 | Very low | 46.9 | Very low | 127 Ų | 127 | 135 Ų | 135 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 115.7 | 127.3 | 131.6 | -58.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 28 | A | 44.5 | Very low | 46.7 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | 85.3 | 51.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | S30 | A28-S30 VanDerWaalsContact C-N 3.26Å; A28-S30 PolarHBondContact O-N 2.86Å | ||
| 29 | S | 52.7 | Low | 47.3 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 94% | 0.944 | 78% | 0.784 | S | S | * | * | trans | -57.9 | 95.6 | 134 | -52.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 30 | S | 50.4 | Low | 47.2 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -135.4 | 85.2 | 169.4 | 167.9 | 0 | 0 | 0 | 0 | 108.8 | A28 C32 | A28-S30 VanDerWaalsContact C-N 3.26Å; A28-S30 PolarHBondContact O-N 2.86Å; S30-C32 PolarHBondContact O-N 2.9Å | ||
| 31 | L | 50 | Low | 47 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | 39.4 | 79.8 | 137.6 | -63.9 | 171.4 | 0 | 0 | 0 | 114.5 | I33 | L31-I33 PolarHBondContact O-N 3.11Š| ||
| 32 | C | 48.3 | Very low | 46.9 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -58.8 | 106.2 | 163.8 | -69.6 | 0 | 0 | 0 | 0 | 109.4 | S30 S34 | S30-C32 PolarHBondContact O-N 2.9Å; C32-S34 PolarHBondContact O-N 3.02Å | ||
| 33 | I | 53.6 | Low | 47 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 43.9 | 65.9 | 140.2 | -41.1 | -179.9 | 0 | 0 | 0 | 114.2 | L31 | L31-I33 PolarHBondContact O-N 3.11Š|
| 34 | S | 56.6 | Low | 47.2 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -133.5 | 80.1 | 156.2 | 174.8 | 0 | 0 | 0 | 0 | 108.2 | C32 | C32-S34 PolarHBondContact O-N 3.02Š| ||
| 35 | S | 43.6 | Very low | 47.4 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -156.2 | 115.6 | 162.2 | -160.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 36 | R | 48.8 | Very low | 48.1 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | 79.2 | 77 | 151 | -140.5 | 171.5 | -168 | 129.5 | 1.4 | 116.5 | E38 | R36-E38 VanDerWaalsContact C-N 3.32Å; R36-E38 PolarHBondContact O-N 2.83Å | ||
| 37 | S | 52.1 | Low | 48.6 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -57.8 | 100.9 | 139 | -74 | 0 | 0 | 0 | 0 | 108.5 | S39 | S37-S39 VanDerWaalsContact C-N 3.3Å; S37-S39 PolarHBondContact O-N 3.17Å | ||
| 38 | E | 42.8 | Very low | 48.9 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 88.1 | 168.6 | 23 | -165.9 | 80.7 | 0 | 0 | 108.7 | R36 V40 | R36-E38 VanDerWaalsContact C-N 3.32Å; R36-E38 PolarHBondContact O-N 2.83Å; E38-V40 PolarHBondContact O-N 3.47Å | ||
| 39 | S | 48.6 | Very low | 49.3 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -24.2 | 107.3 | 161.6 | 53.3 | 0 | 0 | 0 | 0 | 115.3 | S37 W41 | S37-S39 VanDerWaalsContact C-N 3.3Å; S37-S39 PolarHBondContact O-N 3.17Å; S39-W41 PolarHBondContact O-N 3.31Å | ||
| 40 | V | 49.8 | Very low | 49.6 | Very low | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | S | Bend | 49.2 | 8.9 | 98.8 | 178 | 0 | 0 | 0 | 0 | 119.1 | E38 | E38-V40 PolarHBondContact O-N 3.47Š| |
| 41 | W | 38.7 | Very low | 50.2 | Low | 217 Ų | 217 | 141 Ų | 141 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -144.9 | 85.2 | 171.8 | -60.3 | 94.6 | 0 | 0 | 0 | 112.3 | S39 | S39-W41 PolarHBondContact O-N 3.31Š| ||
| 42 | T | 44.3 | Very low | 50.7 | Low | 137 Ų | 137 | 137.4 Ų | 137.4 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | S | Bend | 170.3 | 116.1 | 125.4 | 38.5 | 0 | 0 | 0 | 0 | 111.3 | |||
| 43 | T | 45.9 | Very low | 51.8 | Low | 121 Ų | 121 | 138.7 Ų | 138.7 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | trans | 89.8 | 90.8 | 156 | -41 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 44 | T | 46.8 | Very low | 52.4 | Low | 131 Ų | 131 | 135.8 Ų | 135.8 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -58 | 154.5 | 143.4 | 23.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 45 | P | 47.4 | Very low | 53 | Low | 104 Ų | 104 | 131 Ų | 131 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | cis | -126.5 | 149.9 | 1.3 | 37.8 | -20.3 | 0 | 0 | 0 | 116.2 | ||||
| 46 | R | 52.3 | Low | 54.4 | Low | 231 Ų | 231 | 130.3 Ų | 130.3 | 87% | 0.872 | 65% | 0.648 | S | S | * | * | trans | 40.7 | 89.5 | 140.1 | -130.2 | 172.7 | -173.3 | -178.4 | 1.2 | 118.9 | N48 | R46-N48 VanDerWaalsContact C-N 3.28Å; R46-N48 PolarHBondContact O-N 2.95Å | ||
| 47 | S | 55.4 | Low | 55.8 | Low | 83 Ų | 83 | 124.3 Ų | 124.3 | 58% | 0.58 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 58.3 | -28.8 | 143.4 | 71.1 | 0 | 0 | 0 | 0 | 121.5 | I51 | S47-I51 WeakPolarHBondContact O-CD1 3.5Å; S47-I51 WeakPolarHBondContact O-CG1 3.33Å |
| 48 | N | 53.9 | Low | 56.9 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 58% | 0.578 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -95.5 | -36 | -173.7 | -67.5 | -70.2 | 0 | 0 | 0 | 112.9 | R46 I51 Y52 | R46-N48 VanDerWaalsContact C-N 3.28Å; R46-N48 PolarHBondContact O-N 2.95Å; N48-I51 PolarHBondContact O-N 3.49Å; N48-Y52 VanDerWaalsContact O-CD2 3.3Å; N48-Y52 WeakPolarHBondContact O-CD2 3.26Å |
| 49 | W | 52.8 | Low | 58.4 | Low | 189 Ų | 189 | 117.3 Ų | 117.3 | 72% | 0.716 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73 | -29.5 | -176.5 | -126.3 | 60.8 | 0 | 0 | 0 | 113.3 | I51 Y52 R53 | W49-I51 VanDerWaalsContact C-N 3.31Å; W49-I51 PolarHBondContact O-N 3.34Å; W49-Y52 PolarHBondContact O-N 2.87Å; W49-R53 PolarHBondContact O-N 2.89Å |
| 50 | E | 58.5 | Low | 60 | Low | 140 Ų | 140 | 116.3 Ų | 116.3 | 65% | 0.654 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.4 | -28.8 | 179.1 | -156.6 | 167.2 | 132.8 | 0 | 0 | 113.1 | Y52 R53 | E50-Y52 VanDerWaalsContact C-N 3.28Å; E50-Y52 PolarHBondContact O-N 3.47Å; E50-R53 PolarHBondContact O-N 3.47Å |
| 51 | I | 63.6 | Low | 61.6 | Low | 93 Ų | 93 | 113.6 Ų | 113.6 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.3 | -37.6 | 174.6 | -61.7 | 166.4 | 0 | 0 | 0 | 110 | S47 N48 W49 P55 | S47-I51 WeakPolarHBondContact O-CD1 3.5Å; S47-I51 WeakPolarHBondContact O-CG1 3.33Å; N48-I51 PolarHBondContact O-N 3.49Å; W49-I51 VanDerWaalsContact C-N 3.31Å; W49-I51 PolarHBondContact O-N 3.34Å; I51-P55 WeakPolarHBondContact O-CD 3.31Å |
| 52 | Y | 60.8 | Low | 63.6 | Low | 94 Ų | 94 | 103.5 Ų | 103.5 | 37% | 0.369 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -91.2 | -17.2 | -178.6 | -68.8 | -80 | 0 | 0 | 0 | 114 | N48 W49 E50 K54 P55 I56 K115 | N48-Y52 VanDerWaalsContact O-CD2 3.3Å; N48-Y52 WeakPolarHBondContact O-CD2 3.26Å; W49-Y52 PolarHBondContact O-N 2.87Å; E50-Y52 VanDerWaalsContact C-N 3.28Å; E50-Y52 PolarHBondContact O-N 3.47Å; Y52-K54 VanDerWaalsContact C-N 3.35Å; Y52-K54 PolarHBondContact O-N 3.38Å; Y52-P55 WeakPolarHBondContact O-CD 3.3Å; Y52-P55 VanDerWaalsContact O-CG 3.26Å; Y52-P55 WeakPolarHBondContact O-CG 3.2Å; Y52-I56 VanDerWaalsContact O-CB 3.24Å; Y52-I56 WeakPolarHBondContact O-CB 3.48Å; Y52-I56 WeakPolarHBondContact O-CD1 3.35Å; Y52-I56 WeakPolarHBondContact O-CG1 3.17Å; Y52-I56 PolarHBondContact O-N 3.45Å; Y52-K115 HydrophobicContact CE1-CD 4.38Å; Y52-K115 WeakPolarHBondContact OH-CE 3.4Å; Y52-K115 PolarHBondContact OH-NZ 2.81Å |
| 53 | R | 71 | Confident | 65.6 | Low | 148 Ų | 148 | 98 Ų | 98 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -56.7 | -45.2 | -179.4 | -127 | -176.9 | -164.3 | -125.5 | 5.2 | 112.8 | W49 E50 V57 | W49-R53 PolarHBondContact O-N 2.89Å; E50-R53 PolarHBondContact O-N 3.47Å; R53-V57 WeakPolarHBondContact O-CG2 3.43Å; R53-V57 PolarHBondContact O-N 3.35Å; R53-V57 VanDerWaalsContact O-N 3.1Å |
| 54 | K | 67 | Low | 67.5 | Low | 111 Ų | 111 | 94.9 Ų | 94.9 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.9 | -52.2 | -179.5 | -70.5 | 160.1 | -178.8 | 169 | 0 | 112.7 | Y52 I58 | Y52-K54 VanDerWaalsContact C-N 3.35Å; Y52-K54 PolarHBondContact O-N 3.38Å; K54-I58 VanDerWaalsContact O-CD1 3.32Å; K54-I58 WeakPolarHBondContact O-CD1 3.39Å; K54-I58 WeakPolarHBondContact O-CG1 3.28Å; K54-I58 PolarHBondContact O-N 2.76Å |
| 55 | P | 68.4 | Low | 69.3 | Low | 19 Ų | 19 | 92 Ų | 92 | 12% | 0.123 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -70.5 | -32.7 | 177.7 | 24.4 | -33.3 | 0 | 0 | 0 | 113.7 | I51 Y52 I58 M59 V111 | I51-P55 WeakPolarHBondContact O-CD 3.31Å; Y52-P55 WeakPolarHBondContact O-CD 3.3Å; Y52-P55 VanDerWaalsContact O-CG 3.26Å; Y52-P55 WeakPolarHBondContact O-CG 3.2Å; P55-I58 PolarHBondContact O-N 3.1Å; P55-M59 PolarHBondContact O-N 2.89Å; P55-V111 HydrophobicContact CB-CG1 4.01Å; P55-V111 HydrophobicContact CB-CG2 3.86Å |
| 56 | I | 74.5 | Confident | 71.2 | Confident | 96 Ų | 96 | 88.4 Ų | 88.4 | 49% | 0.492 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 177 | -75.7 | 166.5 | 0 | 0 | 0 | 111.2 | Y52 I58 M59 S60 | Y52-I56 VanDerWaalsContact O-CB 3.24Å; Y52-I56 WeakPolarHBondContact O-CB 3.48Å; Y52-I56 WeakPolarHBondContact O-CD1 3.35Å; Y52-I56 WeakPolarHBondContact O-CG1 3.17Å; Y52-I56 PolarHBondContact O-N 3.45Å; I56-I58 VanDerWaalsContact C-N 3.29Å; I56-I58 PolarHBondContact O-N 3.38Å; I56-M59 PolarHBondContact O-N 2.98Å; I56-S60 WeakPolarHBondContact O-CB 3.32Å; I56-S60 PolarHBondContact O-N 2.63Å; I56-S60 PolarHBondContact O-OG 2.87Å |
| 57 | V | 77.4 | Confident | 72.9 | Confident | 79 Ų | 79 | 83 Ų | 83 | 48% | 0.479 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 178 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | R53 S60 V61 | R53-V57 WeakPolarHBondContact O-CG2 3.43Å; R53-V57 PolarHBondContact O-N 3.35Å; R53-V57 VanDerWaalsContact O-N 3.1Å; V57-S60 WeakPolarHBondContact CA-OG 3.11Å; V57-S60 PolarHBondContact O-N 3.28Å; V57-S60 PolarHBondContact O-OG 3.18Å; V57-V61 HydrophobicContact CG1-CG2 4.39Å; V57-V61 WeakPolarHBondContact O-CB 3.15Å; V57-V61 WeakPolarHBondContact O-CG2 3.45Å; V57-V61 PolarHBondContact O-N 3.48Å |
| 58 | I | 74.3 | Confident | 74.4 | Confident | 83 Ų | 83 | 86.1 Ų | 86.1 | 43% | 0.426 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 177.9 | -65.4 | 159.3 | 0 | 0 | 0 | 110.6 | K54 P55 I56 V61 G62 | K54-I58 VanDerWaalsContact O-CD1 3.32Å; K54-I58 WeakPolarHBondContact O-CD1 3.39Å; K54-I58 WeakPolarHBondContact O-CG1 3.28Å; K54-I58 PolarHBondContact O-N 2.76Å; P55-I58 PolarHBondContact O-N 3.1Å; I56-I58 VanDerWaalsContact C-N 3.29Å; I56-I58 PolarHBondContact O-N 3.38Å; I58-V61 PolarHBondContact O-N 3.33Å; I58-G62 PolarHBondContact O-N 3.49Å |
| 59 | M | 74.8 | Confident | 75.8 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 30% | 0.296 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.5 | -163.3 | 67.2 | 75.7 | 0 | 0 | 111.4 | P55 I56 G62 G63 L104 L108 | P55-M59 PolarHBondContact O-N 2.89Å; I56-M59 PolarHBondContact O-N 2.98Å; M59-G62 PolarHBondContact O-N 3.43Å; M59-G63 PolarHBondContact O-N 2.95Å; M59-L104 HydrophobicContact SD-CD1 3.84Å; M59-L104 HydrophobicContact SD-CG 4.23Å; M59-L108 HydrophobicContact CE-CB 3.85Å; M59-L108 HydrophobicContact CE-CD1 3.31Å; M59-L108 HydrophobicContact CE-CG 4.15Å |
| 60 | S | 82.3 | Confident | 77.3 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 48% | 0.483 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.7 | -39.8 | 178.5 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | I56 V57 G63 A64 | I56-S60 WeakPolarHBondContact O-CB 3.32Å; I56-S60 PolarHBondContact O-N 2.63Å; I56-S60 PolarHBondContact O-OG 2.87Å; V57-S60 WeakPolarHBondContact CA-OG 3.11Å; V57-S60 PolarHBondContact O-N 3.28Å; V57-S60 PolarHBondContact O-OG 3.18Å; S60-G63 PolarHBondContact O-N 3.36Å; S60-A64 VanDerWaalsContact O-CB 3.3Å; S60-A64 WeakPolarHBondContact O-CB 3.44Å; S60-A64 PolarHBondContact O-N 2.87Å |
| 61 | V | 83.7 | Confident | 78.7 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 44% | 0.436 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V57 I58 G63 A64 I65 | V57-V61 HydrophobicContact CG1-CG2 4.39Å; V57-V61 WeakPolarHBondContact O-CB 3.15Å; V57-V61 WeakPolarHBondContact O-CG2 3.45Å; V57-V61 PolarHBondContact O-N 3.48Å; I58-V61 PolarHBondContact O-N 3.33Å; V61-G63 VanDerWaalsContact C-N 3.35Å; V61-G63 PolarHBondContact O-N 3.48Å; V61-A64 PolarHBondContact O-N 3.18Å; V61-I65 HydrophobicContact CG1-CD1 3.85Å; V61-I65 WeakPolarHBondContact O-CD1 3.3Å; V61-I65 VanDerWaalsContact O-CG1 3.26Å; V61-I65 WeakPolarHBondContact O-CG1 3.46Å; V61-I65 PolarHBondContact O-N 2.73Å |
| 62 | G | 80 | Confident | 79.7 | Confident | 5 Ų | 5 | 72.2 Ų | 72.2 | 5% | 0.052 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I58 M59 I65 L66 | I58-G62 PolarHBondContact O-N 3.49Å; M59-G62 PolarHBondContact O-N 3.43Å; G62-I65 PolarHBondContact O-N 2.96Å; G62-L66 PolarHBondContact O-N 3.46Å |
| 63 | G | 86.1 | Confident | 80.6 | Confident | 23 Ų | 23 | 70 Ų | 70 | 24% | 0.237 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | M59 S60 V61 L66 L67 | M59-G63 PolarHBondContact O-N 2.95Å; S60-G63 PolarHBondContact O-N 3.36Å; V61-G63 VanDerWaalsContact C-N 3.35Å; V61-G63 PolarHBondContact O-N 3.48Å; G63-L66 WeakPolarHBondContact O-CB 3.44Å; G63-L66 PolarHBondContact O-N 3.28Å; G63-L67 WeakPolarHBondContact O-CB 3.41Å; G63-L67 PolarHBondContact O-N 2.84Å |
| 64 | A | 87.5 | Confident | 81.1 | Confident | 55 Ų | 55 | 66.3 Ų | 66.3 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S60 V61 L66 L67 F68 | S60-A64 VanDerWaalsContact O-CB 3.3Å; S60-A64 WeakPolarHBondContact O-CB 3.44Å; S60-A64 PolarHBondContact O-N 2.87Å; V61-A64 PolarHBondContact O-N 3.18Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.4Å; A64-L67 PolarHBondContact O-N 3.48Å; A64-F68 WeakPolarHBondContact O-CB 3.31Å; A64-F68 PolarHBondContact O-N 3.34Å |
| 65 | I | 83.4 | Confident | 81.8 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 176.1 | -65.8 | 161.8 | 0 | 0 | 0 | 110.8 | V61 G62 F68 G69 | V61-I65 HydrophobicContact CG1-CD1 3.85Å; V61-I65 WeakPolarHBondContact O-CD1 3.3Å; V61-I65 VanDerWaalsContact O-CG1 3.26Å; V61-I65 WeakPolarHBondContact O-CG1 3.46Å; V61-I65 PolarHBondContact O-N 2.73Å; G62-I65 PolarHBondContact O-N 2.96Å; I65-F68 PolarHBondContact O-N 3.36Å; I65-G69 PolarHBondContact O-N 3.44Å |
| 66 | L | 86.8 | Confident | 82.1 | Confident | 27 Ų | 27 | 65.4 Ų | 65.4 | 14% | 0.141 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.2 | -49.9 | 174.6 | -90.6 | 176.8 | 0 | 0 | 0 | 112.3 | G62 G63 A64 F68 G69 V70 L97 G100 L104 | G62-L66 PolarHBondContact O-N 3.46Å; G63-L66 WeakPolarHBondContact O-CB 3.44Å; G63-L66 PolarHBondContact O-N 3.28Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.4Å; L66-F68 VanDerWaalsContact C-N 3.28Å; L66-F68 PolarHBondContact O-N 2.92Å; L66-G69 PolarHBondContact O-N 3.47Å; L66-V70 VanDerWaalsContact O-CG2 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.26Å; L66-V70 PolarHBondContact O-N 2.97Å; L66-L97 HydrophobicContact CD2-CD1 4.41Å; L66-G100 VanDerWaalsContact CD2-C 3.42Å; L66-L104 HydrophobicContact CD1-CB 3.96Å; L66-L104 HydrophobicContact CD1-CD1 4.16Å; L66-L104 HydrophobicContact CD1-CD2 3.97Å; L66-L104 HydrophobicContact CD1-CG 4.25Å |
| 67 | L | 89.4 | Confident | 82.1 | Confident | 119 Ų | 119 | 70.4 Ų | 70.4 | 62% | 0.623 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -56.3 | -45.2 | 176.4 | -99.8 | 155.1 | 0 | 0 | 0 | 111.1 | G63 A64 G69 V70 V71 | G63-L67 WeakPolarHBondContact O-CB 3.41Å; G63-L67 PolarHBondContact O-N 2.84Å; A64-L67 PolarHBondContact O-N 3.48Å; L67-G69 PolarHBondContact O-N 2.86Å; L67-V70 PolarHBondContact O-N 3.5Å; L67-V71 WeakPolarHBondContact O-CB 3.28Å; L67-V71 VanDerWaalsContact O-CG2 3.26Å; L67-V71 WeakPolarHBondContact O-CG2 3.3Å; L67-V71 PolarHBondContact O-N 3.47Å |
| 68 | F | 85.6 | Confident | 82.1 | Confident | 147 Ų | 147 | 71.5 Ų | 71.5 | 65% | 0.645 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 177.7 | -137.5 | -94.7 | 0 | 0 | 0 | 111.8 | A64 I65 L66 V70 V71 I72 | A64-F68 WeakPolarHBondContact O-CB 3.31Å; A64-F68 PolarHBondContact O-N 3.34Å; I65-F68 PolarHBondContact O-N 3.36Å; L66-F68 VanDerWaalsContact C-N 3.28Å; L66-F68 PolarHBondContact O-N 2.92Å; F68-V70 PolarHBondContact O-N 2.96Å; F68-V71 PolarHBondContact O-N 3.04Å; F68-I72 HydrophobicContact CD1-CD1 3.59Å; F68-I72 HydrophobicContact CD1-CG1 4.28Å; F68-I72 HydrophobicContact CE1-CD1 3.97Å; F68-I72 VanDerWaalsContact O-CG1 3.28Å; F68-I72 WeakPolarHBondContact O-CG1 3.37Å; F68-I72 PolarHBondContact O-N 2.98Å |
| 69 | G | 83.8 | Confident | 81.9 | Confident | 6 Ų | 6 | 72.7 Ų | 72.7 | 6% | 0.062 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I65 L66 L67 T73 | I65-G69 PolarHBondContact O-N 3.44Å; L66-G69 PolarHBondContact O-N 3.47Å; L67-G69 PolarHBondContact O-N 2.86Å; G69-T73 WeakPolarHBondContact O-CB 3.3Å; G69-T73 PolarHBondContact O-N 3.49Å; G69-T73 PolarHBondContact O-OG1 3.3Å |
| 70 | V | 85.4 | Confident | 81.3 | Confident | 69 Ų | 69 | 77.4 Ų | 77.4 | 42% | 0.418 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L66 L67 F68 I72 T73 C74 L97 | L66-V70 VanDerWaalsContact O-CG2 3.31Å; L66-V70 WeakPolarHBondContact O-CG2 3.26Å; L66-V70 PolarHBondContact O-N 2.97Å; L67-V70 PolarHBondContact O-N 3.5Å; F68-V70 PolarHBondContact O-N 2.96Å; V70-I72 PolarHBondContact O-N 3.12Å; V70-T73 PolarHBondContact O-N 2.9Å; V70-C74 WeakPolarHBondContact O-CB 3.16Å; V70-C74 PolarHBondContact O-N 3.47Å; V70-L97 HydrophobicContact CG2-CD1 3.51Å |
| 71 | V | 87.9 | Confident | 80.1 | Confident | 85 Ų | 85 | 77.6 Ų | 77.6 | 52% | 0.515 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 178.7 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | L67 F68 T73 C74 L75 | L67-V71 WeakPolarHBondContact O-CB 3.28Å; L67-V71 VanDerWaalsContact O-CG2 3.26Å; L67-V71 WeakPolarHBondContact O-CG2 3.3Å; L67-V71 PolarHBondContact O-N 3.47Å; F68-V71 PolarHBondContact O-N 3.04Å; V71-T73 PolarHBondContact O-N 3.44Å; V71-C74 PolarHBondContact O-N 3.01Å; V71-L75 WeakPolarHBondContact O-CB 3.26Å; V71-L75 PolarHBondContact O-N 2.81Å |
| 72 | I | 82.6 | Confident | 78.8 | Confident | 79 Ų | 79 | 77.8 Ų | 77.8 | 41% | 0.405 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.7 | -68 | 165.8 | 0 | 0 | 0 | 110.9 | F68 V70 L75 A76 L89 | F68-I72 HydrophobicContact CD1-CD1 3.59Å; F68-I72 HydrophobicContact CD1-CG1 4.28Å; F68-I72 HydrophobicContact CE1-CD1 3.97Å; F68-I72 VanDerWaalsContact O-CG1 3.28Å; F68-I72 WeakPolarHBondContact O-CG1 3.37Å; F68-I72 PolarHBondContact O-N 2.98Å; V70-I72 PolarHBondContact O-N 3.12Å; I72-L75 PolarHBondContact O-N 3.4Å; I72-A76 VanDerWaalsContact O-CB 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.24Å; I72-A76 PolarHBondContact O-N 2.83Å; I72-L89 HydrophobicContact CG2-CD1 4.16Å |
| 73 | T | 80.7 | Confident | 78 | Confident | 48 Ų | 48 | 86.9 Ų | 86.9 | 29% | 0.294 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 178.8 | -56 | 0 | 0 | 0 | 0 | 112 | G69 V70 V71 A76 Y77 G93 | G69-T73 WeakPolarHBondContact O-CB 3.3Å; G69-T73 PolarHBondContact O-N 3.49Å; G69-T73 PolarHBondContact O-OG1 3.3Å; V70-T73 PolarHBondContact O-N 2.9Å; V71-T73 PolarHBondContact O-N 3.44Å; T73-A76 WeakPolarHBondContact O-CB 3.18Å; T73-A76 PolarHBondContact O-N 3.23Å; T73-Y77 PolarHBondContact O-N 2.94Å; T73-Y77 VanDerWaalsContact O-N 3.1Å; T73-G93 WeakPolarHBondContact OG1-CA 3.27Å |
| 74 | C | 81.7 | Confident | 77 | Confident | 70 Ų | 70 | 91.8 Ų | 91.8 | 47% | 0.473 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.7 | -46.6 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | V70 V71 A76 Y77 T78 | V70-C74 WeakPolarHBondContact O-CB 3.16Å; V70-C74 PolarHBondContact O-N 3.47Å; V71-C74 PolarHBondContact O-N 3.01Å; C74-A76 VanDerWaalsContact C-N 3.29Å; C74-A76 PolarHBondContact O-N 2.95Å; C74-Y77 PolarHBondContact O-N 3.45Å; C74-Y77 VanDerWaalsContact O-N 3.17Å; C74-T78 WeakPolarHBondContact O-CB 3.17Å; C74-T78 PolarHBondContact O-N 2.81Å; C74-T78 PolarHBondContact O-OG1 2.76Å |
| 75 | L | 81.1 | Confident | 75.9 | Confident | 97 Ų | 97 | 93.3 Ų | 93.3 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 177.2 | -165.4 | 67.2 | 0 | 0 | 0 | 111.4 | V71 I72 Y77 L79 | V71-L75 WeakPolarHBondContact O-CB 3.26Å; V71-L75 PolarHBondContact O-N 2.81Å; I72-L75 PolarHBondContact O-N 3.4Å; L75-Y77 PolarHBondContact O-N 3.16Å; L75-L79 HydrophobicContact CD1-CD1 3.51Å; L75-L79 HydrophobicContact CD1-CG 3.87Å; L75-L79 HydrophobicContact CD2-CD1 4.33Å; L75-L79 HydrophobicContact CG-CD1 3.66Å; L75-L79 HydrophobicContact CG-CG 4.22Å; L75-L79 WeakPolarHBondContact O-CB 3.36Å; L75-L79 PolarHBondContact O-N 3.46Å |
| 76 | A | 75.9 | Confident | 75.2 | Confident | 14 Ų | 14 | 93 Ų | 93 | 12% | 0.116 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | I72 T73 C74 K80 L89 | I72-A76 VanDerWaalsContact O-CB 3.3Å; I72-A76 WeakPolarHBondContact O-CB 3.24Å; I72-A76 PolarHBondContact O-N 2.83Å; T73-A76 WeakPolarHBondContact O-CB 3.18Å; T73-A76 PolarHBondContact O-N 3.23Å; C74-A76 VanDerWaalsContact C-N 3.29Å; C74-A76 PolarHBondContact O-N 2.95Å; A76-K80 PolarHBondContact O-N 3.44Å; A76-L89 HydrophobicContact CB-CD1 4.36Å; A76-L89 HydrophobicContact CB-CD2 3.12Å; A76-L89 HydrophobicContact CB-CG 3.42Å; A76-L89 VanDerWaalsContact CB-CG 3.42Å |
| 77 | Y | 73.4 | Confident | 74.4 | Confident | 201 Ų | 201 | 95.4 Ų | 95.4 | 79% | 0.788 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73 | -46.3 | -177.3 | -170.8 | -97.5 | 0 | 0 | 0 | 111.1 | T73 C74 L75 K80 | T73-Y77 PolarHBondContact O-N 2.94Å; T73-Y77 VanDerWaalsContact O-N 3.1Å; C74-Y77 PolarHBondContact O-N 3.45Å; C74-Y77 VanDerWaalsContact O-N 3.17Å; L75-Y77 PolarHBondContact O-N 3.16Å; Y77-K80 PolarHBondContact O-N 2.99Å |
| 78 | T | 76.9 | Confident | 73.4 | Confident | 101 Ų | 101 | 94.9 Ų | 94.9 | 62% | 0.62 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.3 | -40.1 | -178.7 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | C74 K80 | C74-T78 WeakPolarHBondContact O-CB 3.17Å; C74-T78 PolarHBondContact O-N 2.81Å; C74-T78 PolarHBondContact O-OG1 2.76Å; T78-K80 VanDerWaalsContact C-N 3.33Å |
| 79 | L | 69.9 | Low | 72.7 | Confident | 108 Ų | 108 | 89.8 Ų | 89.8 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -1.5 | 178.8 | -68.7 | -179 | 0 | 0 | 0 | 114 | L75 L81 | L75-L79 HydrophobicContact CD1-CD1 3.51Å; L75-L79 HydrophobicContact CD1-CG 3.87Å; L75-L79 HydrophobicContact CD2-CD1 4.33Å; L75-L79 HydrophobicContact CG-CD1 3.66Å; L75-L79 HydrophobicContact CG-CG 4.22Å; L75-L79 WeakPolarHBondContact O-CB 3.36Å; L75-L79 PolarHBondContact O-N 3.46Å; L79-L81 WeakPolarHBondContact O-CA 3.16Å; L79-L81 PolarHBondContact O-N 3.24Å |
| 80 | K | 63.9 | Low | 72 | Confident | 159 Ų | 159 | 97.1 Ų | 97.1 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.5 | 40.7 | -179.2 | -116.7 | -83.1 | -173.8 | 173.2 | 0 | 110.9 | A76 Y77 T78 S82 L86 | A76-K80 PolarHBondContact O-N 3.44Å; Y77-K80 PolarHBondContact O-N 2.99Å; T78-K80 VanDerWaalsContact C-N 3.33Å; K80-S82 PolarHBondContact O-N 3.49Å; K80-S82 VanDerWaalsContact O-N 3.11Å; K80-L86 HydrophobicContact CD-CD1 4.3Å |
| 81 | L | 57.2 | Low | 71.3 | Confident | 73 Ų | 73 | 101.4 Ų | 101.4 | 38% | 0.382 | 52% | 0.524 | S | S | . | . | trans | -53 | 118.1 | -158.2 | -155.3 | 173.9 | 0 | 0 | 0 | 108.8 | L79 | L79-L81 WeakPolarHBondContact O-CA 3.16Å; L79-L81 PolarHBondContact O-N 3.24Å | ||
| 82 | S | 55.4 | Low | 70.7 | Confident | 76 Ų | 76 | 100.2 Ų | 100.2 | 53% | 0.531 | 52% | 0.517 | S | S | . | . | trans | 7.4 | 113.6 | 175 | -166.8 | 0 | 0 | 0 | 0 | 114.6 | K80 N84 N85 | K80-S82 PolarHBondContact O-N 3.49Å; K80-S82 VanDerWaalsContact O-N 3.11Å; S82-N84 PolarHBondContact O-N 3.1Å; S82-N85 PolarHBondContact O-N 3.49Å | ||
| 83 | K | 63.3 | Low | 70.3 | Confident | 196 Ų | 196 | 96.6 Ų | 96.6 | 85% | 0.852 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -32 | -25.2 | -171.9 | -68.9 | 168.1 | -179.8 | 165.3 | 0 | 116.9 | ||
| 84 | N | 65.1 | Low | 70.1 | Confident | 127 Ų | 127 | 98.2 Ų | 98.2 | 68% | 0.679 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -33.6 | -178.8 | -51.1 | 15.6 | 0 | 0 | 0 | 113.7 | S82 | S82-N84 PolarHBondContact O-N 3.1Š|
| 85 | N | 64.8 | Low | 70.1 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 46% | 0.46 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -104.2 | -4 | -176.1 | -64.8 | -60.7 | 0 | 0 | 0 | 114 | S82 S87 L89 | S82-N85 PolarHBondContact O-N 3.49Å; N85-S87 VanDerWaalsContact C-N 3.31Å; N85-S87 PolarHBondContact O-N 3.33Å; N85-L89 WeakPolarHBondContact O-CB 3.4Å; N85-L89 PolarHBondContact O-N 2.95Å |
| 86 | L | 69 | Low | 69.9 | Low | 65 Ų | 65 | 97.3 Ų | 97.3 | 34% | 0.34 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -35.1 | -176.2 | -166.7 | 106.1 | 0 | 0 | 0 | 112.3 | K80 K90 | K80-L86 HydrophobicContact CD-CD1 4.3Å; L86-K90 WeakPolarHBondContact O-CB 3.44Å; L86-K90 PolarHBondContact O-N 2.86Å |
| 87 | S | 69.7 | Low | 70 | Confident | 77 Ų | 77 | 100.5 Ų | 100.5 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -48.3 | -179.1 | 53.9 | 0 | 0 | 0 | 0 | 112 | N85 K90 M91 | N85-S87 VanDerWaalsContact C-N 3.31Å; N85-S87 PolarHBondContact O-N 3.33Å; S87-K90 PolarHBondContact O-N 3.48Å; S87-M91 PolarHBondContact O-N 3.41Å |
| 88 | I | 68.3 | Low | 70.5 | Confident | 108 Ų | 108 | 93.9 Ų | 93.9 | 55% | 0.554 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.9 | -44.6 | -179.9 | -60.1 | 171.9 | 0 | 0 | 0 | 109.7 | K90 M91 V92 | I88-K90 VanDerWaalsContact C-N 3.35Å; I88-K90 PolarHBondContact O-N 2.95Å; I88-M91 PolarHBondContact O-N 2.95Å; I88-V92 HydrophobicContact CG2-CG2 4.15Å; I88-V92 VanDerWaalsContact O-CB 3.3Å; I88-V92 WeakPolarHBondContact O-CB 3.44Å; I88-V92 WeakPolarHBondContact O-CG2 3.32Å; I88-V92 PolarHBondContact O-N 2.84Å |
| 89 | L | 70.6 | Confident | 70.7 | Confident | 40 Ų | 40 | 94.4 Ų | 94.4 | 21% | 0.209 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -72.3 | -29.7 | -175.8 | -154.9 | 47.7 | 0 | 0 | 0 | 112.6 | I72 A76 N85 M91 V92 G93 | I72-L89 HydrophobicContact CG2-CD1 4.16Å; A76-L89 HydrophobicContact CB-CD1 4.36Å; A76-L89 HydrophobicContact CB-CD2 3.12Å; A76-L89 HydrophobicContact CB-CG 3.42Å; A76-L89 VanDerWaalsContact CB-CG 3.42Å; N85-L89 WeakPolarHBondContact O-CB 3.4Å; N85-L89 PolarHBondContact O-N 2.95Å; L89-M91 VanDerWaalsContact C-N 3.31Å; L89-M91 PolarHBondContact O-N 3.41Å; L89-V92 HydrophobicContact CD1-CG1 4.36Å; L89-V92 PolarHBondContact O-N 3.29Å; L89-G93 PolarHBondContact O-N 3.27Å |
| 90 | K | 69.8 | Low | 71.2 | Confident | 161 Ų | 161 | 89.5 Ų | 89.5 | 70% | 0.7 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.1 | -27.5 | 173.3 | -170.9 | 167.8 | -179.9 | 165.2 | 0 | 112.9 | L86 S87 I88 P94 | L86-K90 WeakPolarHBondContact O-CB 3.44Å; L86-K90 PolarHBondContact O-N 2.86Å; S87-K90 PolarHBondContact O-N 3.48Å; I88-K90 VanDerWaalsContact C-N 3.35Å; I88-K90 PolarHBondContact O-N 2.95Å; K90-P94 WeakPolarHBondContact O-CD 3.39Å; K90-P94 WeakPolarHBondContact O-CG 3.18Å |
| 91 | M | 70 | Confident | 72.1 | Confident | 158 Ų | 158 | 86.6 Ų | 86.6 | 78% | 0.778 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -87.2 | -37.4 | 171.4 | -75.4 | -173.6 | 158.9 | 0 | 0 | 112.6 | S87 I88 L89 G95 | S87-M91 PolarHBondContact O-N 3.41Å; I88-M91 PolarHBondContact O-N 2.95Å; L89-M91 VanDerWaalsContact C-N 3.31Å; L89-M91 PolarHBondContact O-N 3.41Å; M91-G95 PolarHBondContact O-N 2.78Å |
| 92 | V | 74.5 | Confident | 73.3 | Confident | 61 Ų | 61 | 88.8 Ų | 88.8 | 37% | 0.37 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.8 | -37.9 | -179.5 | 157.4 | 0 | 0 | 0 | 0 | 112.4 | I88 L89 G95 F96 | I88-V92 HydrophobicContact CG2-CG2 4.15Å; I88-V92 VanDerWaalsContact O-CB 3.3Å; I88-V92 WeakPolarHBondContact O-CB 3.44Å; I88-V92 WeakPolarHBondContact O-CG2 3.32Å; I88-V92 PolarHBondContact O-N 2.84Å; L89-V92 HydrophobicContact CD1-CG1 4.36Å; L89-V92 PolarHBondContact O-N 3.29Å; V92-G95 PolarHBondContact O-N 3.37Å; V92-G95 VanDerWaalsContact O-N 3.16Å; V92-F96 HydrophobicContact CG1-CD2 4.04Å; V92-F96 PolarHBondContact O-N 3.23Å |
| 93 | G | 74.5 | Confident | 74.2 | Confident | 2 Ų | 2 | 88.3 Ų | 88.3 | 2% | 0.021 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -56 | -56.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T73 L89 G95 L97 | T73-G93 WeakPolarHBondContact OG1-CA 3.27Å; L89-G93 PolarHBondContact O-N 3.27Å; G93-G95 VanDerWaalsContact C-N 3.29Å; G93-G95 PolarHBondContact O-N 2.92Å; G93-L97 WeakPolarHBondContact O-CB 3.21Å; G93-L97 PolarHBondContact O-N 3.02Å; G93-L97 VanDerWaalsContact O-N 3.12Å |
| 94 | P | 77.6 | Confident | 74.9 | Confident | 83 Ų | 83 | 81.1 Ų | 81.1 | 54% | 0.539 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 175 | -19.1 | 30.3 | 0 | 0 | 0 | 112.7 | K90 S98 | K90-P94 WeakPolarHBondContact O-CD 3.39Å; K90-P94 WeakPolarHBondContact O-CG 3.18Å; P94-S98 VanDerWaalsContact O-CB 3.28Å; P94-S98 WeakPolarHBondContact O-CB 3.43Å; P94-S98 PolarHBondContact O-N 3.48Å |
| 95 | G | 81.2 | Confident | 75.7 | Confident | 40 Ų | 40 | 78.6 Ų | 78.6 | 41% | 0.412 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65 | -48 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | M91 V92 G93 S98 L99 | M91-G95 PolarHBondContact O-N 2.78Å; V92-G95 PolarHBondContact O-N 3.37Å; V92-G95 VanDerWaalsContact O-N 3.16Å; G93-G95 VanDerWaalsContact C-N 3.29Å; G93-G95 PolarHBondContact O-N 2.92Å; G95-S98 PolarHBondContact O-N 2.94Å; G95-L99 VanDerWaalsContact O-CB 3.32Å; G95-L99 WeakPolarHBondContact O-CB 3.46Å; G95-L99 PolarHBondContact O-N 2.92Å |
| 96 | F | 76.6 | Confident | 75.9 | Confident | 108 Ų | 108 | 78 Ų | 78 | 47% | 0.474 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 177.9 | -114.4 | -91.3 | 0 | 0 | 0 | 112.1 | V92 L99 G100 | V92-F96 HydrophobicContact CG1-CD2 4.04Å; V92-F96 PolarHBondContact O-N 3.23Å; F96-L99 PolarHBondContact O-N 3.41Å; F96-G100 PolarHBondContact O-N 3.44Å |
| 97 | L | 78.5 | Confident | 76 | Confident | 81 Ų | 81 | 75.5 Ų | 75.5 | 42% | 0.424 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 176.1 | -167.4 | 71.4 | 0 | 0 | 0 | 111.3 | L66 V70 G93 L101 | L66-L97 HydrophobicContact CD2-CD1 4.41Å; V70-L97 HydrophobicContact CG2-CD1 3.51Å; G93-L97 WeakPolarHBondContact O-CB 3.21Å; G93-L97 PolarHBondContact O-N 3.02Å; G93-L97 VanDerWaalsContact O-N 3.12Å; L97-L101 VanDerWaalsContact O-CB 3.31Å; L97-L101 WeakPolarHBondContact O-CB 3.35Å; L97-L101 PolarHBondContact O-N 3.29Å |
| 98 | S | 83.5 | Confident | 76.1 | Confident | 62 Ų | 62 | 76.5 Ų | 76.5 | 43% | 0.434 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.7 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | P94 G95 G100 L101 M102 | P94-S98 VanDerWaalsContact O-CB 3.28Å; P94-S98 WeakPolarHBondContact O-CB 3.43Å; P94-S98 PolarHBondContact O-N 3.48Å; G95-S98 PolarHBondContact O-N 2.94Å; S98-G100 PolarHBondContact O-N 3.47Å; S98-L101 PolarHBondContact O-N 2.85Å; S98-M102 WeakPolarHBondContact O-CB 3.18Å; S98-M102 WeakPolarHBondContact O-CG 3.43Å; S98-M102 PolarHBondContact O-N 3.24Å |
| 99 | L | 81.4 | Confident | 76.3 | Confident | 112 Ų | 112 | 75 Ų | 75 | 59% | 0.586 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.9 | -46.7 | 178.2 | -177.3 | 63.9 | 0 | 0 | 0 | 112 | G95 F96 M103 | G95-L99 VanDerWaalsContact O-CB 3.32Å; G95-L99 WeakPolarHBondContact O-CB 3.46Å; G95-L99 PolarHBondContact O-N 2.92Å; F96-L99 PolarHBondContact O-N 3.41Å; L99-M103 WeakPolarHBondContact O-CB 3.32Å; L99-M103 PolarHBondContact O-N 3.46Å |
| 100 | G | 80 | Confident | 75.8 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 4% | 0.041 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L66 F96 S98 M103 L104 | L66-G100 VanDerWaalsContact CD2-C 3.42Å; F96-G100 PolarHBondContact O-N 3.44Å; S98-G100 PolarHBondContact O-N 3.47Å; G100-M103 PolarHBondContact O-N 2.93Å; G100-L104 WeakPolarHBondContact O-CB 3.37Å; G100-L104 PolarHBondContact O-N 3.01Å |
| 101 | L | 82.9 | Confident | 75.6 | Confident | 99 Ų | 99 | 74 Ų | 74 | 52% | 0.518 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69 | -43.2 | 178.9 | -170 | 71.3 | 0 | 0 | 0 | 111 | L97 S98 M103 L104 V105 | L97-L101 VanDerWaalsContact O-CB 3.31Å; L97-L101 WeakPolarHBondContact O-CB 3.35Å; L97-L101 PolarHBondContact O-N 3.29Å; S98-L101 PolarHBondContact O-N 2.85Å; L101-M103 VanDerWaalsContact C-N 3.33Å; L101-M103 PolarHBondContact O-N 3.19Å; L101-L104 PolarHBondContact O-N 3.27Å; L101-V105 HydrophobicContact CG-CG2 4.34Å; L101-V105 WeakPolarHBondContact O-CB 3.35Å; L101-V105 VanDerWaalsContact O-CG2 3.27Å; L101-V105 WeakPolarHBondContact O-CG2 3.04Å; L101-V105 PolarHBondContact O-N 3.43Å |
| 102 | M | 82.5 | Confident | 75.1 | Confident | 118 Ų | 118 | 70 Ų | 70 | 58% | 0.581 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.6 | -43.5 | 174.5 | -73.5 | -68.4 | 169.4 | 0 | 0 | 111.3 | S98 C106 | S98-M102 WeakPolarHBondContact O-CB 3.18Å; S98-M102 WeakPolarHBondContact O-CG 3.43Å; S98-M102 PolarHBondContact O-N 3.24Å; M102-C106 WeakPolarHBondContact O-CB 3.44Å; M102-C106 PolarHBondContact O-N 2.91Å; M102-C106 PolarHBondContact O-SG 3.06Å |
| 103 | M | 75.4 | Confident | 74.4 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 177.1 | -168.9 | 176.3 | 177.1 | 0 | 0 | 112.2 | L99 G100 L101 G107 F126 L130 | L99-M103 WeakPolarHBondContact O-CB 3.32Å; L99-M103 PolarHBondContact O-N 3.46Å; G100-M103 PolarHBondContact O-N 2.93Å; L101-M103 VanDerWaalsContact C-N 3.33Å; L101-M103 PolarHBondContact O-N 3.19Å; M103-G107 PolarHBondContact O-N 3.46Å; M103-F126 HydrophobicContact CE-CE1 4.44Å; M103-F126 HydrophobicContact CE-CZ 4.06Å; M103-L130 HydrophobicContact CE-CD1 4.5Å |
| 104 | L | 77.9 | Confident | 73.6 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 24% | 0.241 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.3 | -45.8 | 177.2 | -161.9 | 90 | 0 | 0 | 0 | 111.8 | M59 L66 G100 L101 G107 L108 | M59-L104 HydrophobicContact SD-CD1 3.84Å; M59-L104 HydrophobicContact SD-CG 4.23Å; L66-L104 HydrophobicContact CD1-CB 3.96Å; L66-L104 HydrophobicContact CD1-CD1 4.16Å; L66-L104 HydrophobicContact CD1-CD2 3.97Å; L66-L104 HydrophobicContact CD1-CG 4.25Å; G100-L104 WeakPolarHBondContact O-CB 3.37Å; G100-L104 PolarHBondContact O-N 3.01Å; L101-L104 PolarHBondContact O-N 3.27Å; L104-G107 PolarHBondContact O-N 3.19Å; L104-L108 WeakPolarHBondContact O-CB 3.28Å; L104-L108 PolarHBondContact O-N 3.31Å |
| 105 | V | 80.2 | Confident | 72.5 | Confident | 73 Ų | 73 | 75.6 Ų | 75.6 | 44% | 0.442 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.7 | -46.7 | 179.5 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | L101 G107 L108 V109 | L101-V105 HydrophobicContact CG-CG2 4.34Å; L101-V105 WeakPolarHBondContact O-CB 3.35Å; L101-V105 VanDerWaalsContact O-CG2 3.27Å; L101-V105 WeakPolarHBondContact O-CG2 3.04Å; L101-V105 PolarHBondContact O-N 3.43Å; V105-G107 VanDerWaalsContact C-N 3.31Å; V105-G107 PolarHBondContact O-N 3.26Å; V105-L108 PolarHBondContact O-N 2.91Å; V105-V109 HydrophobicContact CG1-CG2 4.41Å; V105-V109 WeakPolarHBondContact O-CB 3.41Å; V105-V109 WeakPolarHBondContact O-CG2 3.33Å; V105-V109 PolarHBondContact O-N 3.07Å |
| 106 | C | 69.6 | Low | 71.3 | Confident | 74 Ų | 74 | 83.1 Ų | 83.1 | 50% | 0.5 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 174.6 | -72.1 | 0 | 0 | 0 | 0 | 111.4 | M102 W110 | M102-C106 WeakPolarHBondContact O-CB 3.44Å; M102-C106 PolarHBondContact O-N 2.91Å; M102-C106 PolarHBondContact O-SG 3.06Å; C106-W110 WeakPolarHBondContact O-CB 2.76Å; C106-W110 PolarHBondContact O-N 2.84Å |
| 107 | G | 71.8 | Confident | 70 | Confident | 12 Ų | 12 | 87.1 Ų | 87.1 | 12% | 0.124 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M103 L104 V105 W110 V111 | M103-G107 PolarHBondContact O-N 3.46Å; L104-G107 PolarHBondContact O-N 3.19Å; V105-G107 VanDerWaalsContact C-N 3.31Å; V105-G107 PolarHBondContact O-N 3.26Å; G107-W110 PolarHBondContact O-N 3.48Å; G107-V111 WeakPolarHBondContact O-CG2 3.3Å; G107-V111 PolarHBondContact O-N 3.46Å |
| 108 | L | 71.5 | Confident | 68.7 | Low | 99 Ų | 99 | 86.5 Ų | 86.5 | 52% | 0.518 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.1 | -35.5 | -176 | -176.7 | 65.4 | 0 | 0 | 0 | 112.9 | M59 L104 V105 P112 | M59-L108 HydrophobicContact CE-CB 3.85Å; M59-L108 HydrophobicContact CE-CD1 3.31Å; M59-L108 HydrophobicContact CE-CG 4.15Å; L104-L108 WeakPolarHBondContact O-CB 3.28Å; L104-L108 PolarHBondContact O-N 3.31Å; V105-L108 PolarHBondContact O-N 2.91Å; L108-P112 WeakPolarHBondContact O-CD 3.46Å; L108-P112 WeakPolarHBondContact O-CG 3.17Å |
| 109 | V | 72.9 | Confident | 67.3 | Low | 77 Ų | 77 | 93.4 Ų | 93.4 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -74.4 | -32.1 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | V105 P112 I113 | V105-V109 HydrophobicContact CG1-CG2 4.41Å; V105-V109 WeakPolarHBondContact O-CB 3.41Å; V105-V109 WeakPolarHBondContact O-CG2 3.33Å; V105-V109 PolarHBondContact O-N 3.07Å; V109-P112 VanDerWaalsContact O-CD 3.28Å; V109-P112 WeakPolarHBondContact O-CD 3.36Å; V109-P112 WeakPolarHBondContact O-CG 3.38Å; V109-I113 HydrophobicContact CG1-CD1 4.03Å; V109-I113 VanDerWaalsContact O-CD1 3.3Å; V109-I113 WeakPolarHBondContact O-CD1 3.2Å; V109-I113 WeakPolarHBondContact O-CG1 3.33Å |
| 110 | W | 60.6 | Low | 65.6 | Low | 140 Ų | 140 | 96.9 Ų | 96.9 | 53% | 0.53 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.1 | -31.9 | 178.8 | -130.4 | -106 | 0 | 0 | 0 | 113 | C106 G107 I114 | C106-W110 WeakPolarHBondContact O-CB 2.76Å; C106-W110 PolarHBondContact O-N 2.84Å; G107-W110 PolarHBondContact O-N 3.48Å; W110-I114 VanDerWaalsContact CD1-CD1 3.46Å; W110-I114 HydrophobicContact CG-CD1 4.42Å; W110-I114 WeakPolarHBondContact O-CB 3.39Å; W110-I114 PolarHBondContact O-N 3.03Å; W110-I114 VanDerWaalsContact O-N 3.16Å |
| 111 | V | 65.3 | Low | 64.3 | Low | 39 Ų | 39 | 106 Ų | 106 | 24% | 0.236 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -56.8 | -48.3 | 177.6 | 169.8 | 0 | 0 | 0 | 0 | 114.2 | P55 G107 I114 K115 | P55-V111 HydrophobicContact CB-CG1 4.01Å; P55-V111 HydrophobicContact CB-CG2 3.86Å; G107-V111 WeakPolarHBondContact O-CG2 3.3Å; G107-V111 PolarHBondContact O-N 3.46Å; V111-I114 WeakPolarHBondContact O-CG2 3.41Å; V111-I114 PolarHBondContact O-N 3.04Å; V111-K115 PolarHBondContact O-N 3.24Å |
| 112 | P | 58.1 | Low | 62.9 | Low | 73 Ų | 73 | 103.3 Ų | 103.3 | 47% | 0.474 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73 | -35.5 | -179.1 | 26.4 | -34.2 | 0 | 0 | 0 | 112.8 | L108 V109 I114 K115 | L108-P112 WeakPolarHBondContact O-CD 3.46Å; L108-P112 WeakPolarHBondContact O-CG 3.17Å; V109-P112 VanDerWaalsContact O-CD 3.28Å; V109-P112 WeakPolarHBondContact O-CD 3.36Å; V109-P112 WeakPolarHBondContact O-CG 3.38Å; P112-I114 PolarHBondContact O-N 2.87Å; P112-K115 WeakPolarHBondContact O-CB 3.43Å; P112-K115 PolarHBondContact O-N 3.04Å |
| 113 | I | 61.3 | Low | 61.5 | Low | 106 Ų | 106 | 104.7 Ų | 104.7 | 54% | 0.544 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 176.3 | -65.8 | 169.4 | 0 | 0 | 0 | 110 | V109 | V109-I113 HydrophobicContact CG1-CD1 4.03Å; V109-I113 VanDerWaalsContact O-CD1 3.3Å; V109-I113 WeakPolarHBondContact O-CD1 3.2Å; V109-I113 WeakPolarHBondContact O-CG1 3.33Å |
| 114 | I | 56.6 | Low | 60.7 | Low | 28 Ų | 28 | 104.7 Ų | 104.7 | 14% | 0.144 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -76 | -30.5 | -178.5 | -117.1 | 92.9 | 0 | 0 | 0 | 112.5 | W110 V111 P112 K116 K117 Q118 Q122 | W110-I114 VanDerWaalsContact CD1-CD1 3.46Å; W110-I114 HydrophobicContact CG-CD1 4.42Å; W110-I114 WeakPolarHBondContact O-CB 3.39Å; W110-I114 PolarHBondContact O-N 3.03Å; W110-I114 VanDerWaalsContact O-N 3.16Å; V111-I114 WeakPolarHBondContact O-CG2 3.41Å; V111-I114 PolarHBondContact O-N 3.04Å; P112-I114 PolarHBondContact O-N 2.87Å; I114-K116 PolarHBondContact O-N 2.83Å; I114-K117 CarbonylContact O-C 3.49Å; I114-K117 PolarHBondContact O-N 3.22Å; I114-Q118 HydrophobicContact CB-CG 4.09Å; I114-Q118 HydrophobicContact CG1-CG 4.49Å; I114-Q118 VanDerWaalsContact CG2-CD 3.47Å; I114-Q118 HydrophobicContact CG2-CG 3.33Å; I114-Q118 WeakPolarHBondContact O-CB 3.42Å; I114-Q118 WeakPolarHBondContact O-CG 3.05Å; I114-Q118 PolarHBondContact O-N 2.96Å; I114-Q122 HydrophobicContact CB-CG 4.46Å; I114-Q122 HydrophobicContact CD1-CG 3.74Å; I114-Q122 HydrophobicContact CG1-CB 3.98Å; I114-Q122 HydrophobicContact CG1-CG 3.53Å |
| 115 | K | 54.1 | Low | 59.9 | Low | 131 Ų | 131 | 106.4 Ų | 106.4 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.4 | -20.6 | -176.4 | -171.9 | 173.8 | 159.9 | 174 | 0 | 112.5 | Y52 V111 P112 | Y52-K115 HydrophobicContact CE1-CD 4.38Å; Y52-K115 WeakPolarHBondContact OH-CE 3.4Å; Y52-K115 PolarHBondContact OH-NZ 2.81Å; V111-K115 PolarHBondContact O-N 3.24Å; P112-K115 WeakPolarHBondContact O-CB 3.43Å; P112-K115 PolarHBondContact O-N 3.04Å |
| 116 | K | 55.9 | Low | 59 | Low | 197 Ų | 197 | 106 Ų | 106 | 86% | 0.857 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -12.2 | 173.1 | -67.9 | -158.9 | 177.8 | -172.8 | 0 | 115.8 | I114 | I114-K116 PolarHBondContact O-N 2.83Š|
| 117 | K | 50.5 | Low | 58.6 | Low | 193 Ų | 193 | 107.7 Ų | 107.7 | 84% | 0.839 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.3 | 20.3 | -179.1 | -65.6 | -159.9 | -174.8 | -128.7 | 0 | 115.1 | I114 K119 | I114-K117 CarbonylContact O-C 3.49Å; I114-K117 PolarHBondContact O-N 3.22Å; K117-K119 PolarHBondContact O-N 3.25Å |
| 118 | Q | 51.2 | Low | 58.1 | Low | 68 Ų | 68 | 116.2 Ų | 116.2 | 32% | 0.318 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 84.6 | -174.9 | -95.8 | -52.4 | -75.4 | 0 | 0 | 114.7 | I114 Q122 | I114-Q118 HydrophobicContact CB-CG 4.09Å; I114-Q118 HydrophobicContact CG1-CG 4.49Å; I114-Q118 VanDerWaalsContact CG2-CD 3.47Å; I114-Q118 HydrophobicContact CG2-CG 3.33Å; I114-Q118 WeakPolarHBondContact O-CB 3.42Å; I114-Q118 WeakPolarHBondContact O-CG 3.05Å; I114-Q118 PolarHBondContact O-N 2.96Å; Q118-Q122 VanDerWaalsContact NE2-CD 3.34Å |
| 119 | K | 53 | Low | 57.7 | Low | 206 Ų | 206 | 114.4 Ų | 114.4 | 90% | 0.896 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.8 | -19.9 | 155.3 | -151.7 | 172.2 | 179.4 | -177 | 0 | 115.6 | K117 | K117-K119 PolarHBondContact O-N 3.25Š|
| 120 | H | 46.2 | Very low | 57.2 | Low | 185 Ų | 185 | 113.6 Ų | 113.6 | 86% | 0.856 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -138 | -16.9 | -170.6 | -160.3 | -117.4 | 0 | 0 | 0 | 117 | ||
| 121 | R | 53.3 | Low | 57.2 | Low | 197 Ų | 197 | 114 Ų | 114 | 74% | 0.743 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -120.5 | -3.5 | -157 | -133.8 | 178.9 | -178 | 164.7 | 0.5 | 118.5 | S124 | R121-S124 PolarHBondContact O-OG 3.16Š|
| 122 | Q | 53.4 | Low | 57.2 | Low | 42 Ų | 42 | 114.8 Ų | 114.8 | 20% | 0.196 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -93.6 | -27.2 | -164.8 | -164 | -164.8 | 15.9 | 0 | 0 | 115.8 | I114 Q118 S124 | I114-Q122 HydrophobicContact CB-CG 4.46Å; I114-Q122 HydrophobicContact CD1-CG 3.74Å; I114-Q122 HydrophobicContact CG1-CB 3.98Å; I114-Q122 HydrophobicContact CG1-CG 3.53Å; Q118-Q122 VanDerWaalsContact NE2-CD 3.34Å; Q122-S124 PolarHBondContact O-N 2.81Å |
| 123 | K | 53.4 | Low | 57.3 | Low | 147 Ų | 147 | 119.2 Ų | 119.2 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.6 | -29 | 177.1 | -81.6 | -172.1 | 171.4 | -171.2 | 0 | 112.5 | L127 | K123-L127 WeakPolarHBondContact O-CB 3.18Å; K123-L127 WeakPolarHBondContact O-CD1 3.33Å; K123-L127 WeakPolarHBondContact O-CG 3.48Å |
| 124 | S | 57.5 | Low | 57.3 | Low | 66 Ų | 66 | 121.9 Ų | 121.9 | 46% | 0.462 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75.8 | -41.5 | -178.5 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | R121 Q122 R128 | R121-S124 PolarHBondContact O-OG 3.16Å; Q122-S124 PolarHBondContact O-N 2.81Å; S124-R128 WeakPolarHBondContact O-CA 3.2Å; S124-R128 WeakPolarHBondContact O-CB 3.45Å; S124-R128 PolarHBondContact O-N 3.34Å |
| 125 | N | 60.8 | Low | 57.6 | Low | 82 Ų | 82 | 127 Ų | 127 | 44% | 0.439 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -76.3 | -38.5 | -166.8 | -66.6 | -5 | 0 | 0 | 0 | 112.7 | R128 S129 | N125-R128 PolarHBondContact O-N 3.35Å; N125-S129 WeakPolarHBondContact O-CB 3.25Å; N125-S129 PolarHBondContact O-N 3.27Å |
| 126 | F | 61.7 | Low | 57.8 | Low | 65 Ų | 65 | 126.5 Ų | 126.5 | 29% | 0.285 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.3 | -46.7 | 176.8 | -175 | -103.7 | 0 | 0 | 0 | 111 | M103 R128 S129 L130 | M103-F126 HydrophobicContact CE-CE1 4.44Å; M103-F126 HydrophobicContact CE-CZ 4.06Å; F126-R128 VanDerWaalsContact C-N 3.25Å; F126-R128 PolarHBondContact O-N 3.44Å; F126-S129 PolarHBondContact O-N 2.81Å; F126-L130 HydrophobicContact CE1-CD1 4.32Å; F126-L130 HydrophobicContact CZ-CD1 4.04Å; F126-L130 WeakPolarHBondContact O-CB 3.42Å; F126-L130 PolarHBondContact O-N 3.42Å |
| 127 | L | 62 | Low | 57.1 | Low | 108 Ų | 108 | 131 Ų | 131 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.2 | -32.9 | 174.4 | -71 | 174.6 | 0 | 0 | 0 | 111.9 | K123 K131 | K123-L127 WeakPolarHBondContact O-CB 3.18Å; K123-L127 WeakPolarHBondContact O-CD1 3.33Å; K123-L127 WeakPolarHBondContact O-CG 3.48Å; L127-K131 WeakPolarHBondContact O-CB 3.45Å; L127-K131 PolarHBondContact O-N 3.3Å |
| 128 | R | 61.7 | Low | 57.4 | Low | 192 Ų | 192 | 128 Ų | 128 | 73% | 0.725 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.4 | -44.5 | 173.7 | -174.1 | 179.3 | -132 | -100.6 | 2.1 | 111.9 | S124 N125 F126 K131 S132 | S124-R128 WeakPolarHBondContact O-CA 3.2Å; S124-R128 WeakPolarHBondContact O-CB 3.45Å; S124-R128 PolarHBondContact O-N 3.34Å; N125-R128 PolarHBondContact O-N 3.35Å; F126-R128 VanDerWaalsContact C-N 3.25Å; F126-R128 PolarHBondContact O-N 3.44Å; R128-K131 PolarHBondContact O-N 2.94Å; R128-S132 WeakPolarHBondContact O-CB 3.02Å; R128-S132 PolarHBondContact O-N 2.68Å; R128-S132 PolarHBondContact O-OG 3.46Å; R128-S132 VanDerWaalsContact O-OG 3.08Å |
| 129 | S | 62.3 | Low | 57.8 | Low | 60 Ų | 60 | 131.1 Ų | 131.1 | 42% | 0.42 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.1 | -42.3 | 177.9 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | N125 F126 S132 F133 | N125-S129 WeakPolarHBondContact O-CB 3.25Å; N125-S129 PolarHBondContact O-N 3.27Å; F126-S129 PolarHBondContact O-N 2.81Å; S129-S132 WeakPolarHBondContact CA-OG 3.49Å; S129-S132 PolarHBondContact O-N 3.2Å; S129-S132 PolarHBondContact O-OG 2.86Å; S129-F133 WeakPolarHBondContact O-CD2 3.38Å; S129-F133 PolarHBondContact O-N 3.34Å |
| 130 | L | 61.5 | Low | 58 | Low | 61 Ų | 61 | 126.9 Ų | 126.9 | 32% | 0.319 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.9 | -45.7 | 175.3 | -144.6 | 82.8 | 0 | 0 | 0 | 110.5 | M103 F126 S132 F133 F134 | M103-L130 HydrophobicContact CE-CD1 4.5Å; F126-L130 HydrophobicContact CE1-CD1 4.32Å; F126-L130 HydrophobicContact CZ-CD1 4.04Å; F126-L130 WeakPolarHBondContact O-CB 3.42Å; F126-L130 PolarHBondContact O-N 3.42Å; L130-S132 PolarHBondContact O-N 3.49Å; L130-F133 PolarHBondContact O-N 3.22Å; L130-F134 HydrophobicContact CD2-CE2 4.48Å; L130-F134 HydrophobicContact CG-CD2 4.25Å; L130-F134 HydrophobicContact CG-CE2 4.18Å; L130-F134 WeakPolarHBondContact O-CD2 3.26Å; L130-F134 PolarHBondContact O-N 2.98Å |
| 131 | K | 62.3 | Low | 58.7 | Low | 148 Ų | 148 | 123.5 Ų | 123.5 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.2 | -40.3 | 177.7 | -167.1 | 178.3 | -173.7 | -175.1 | 0 | 111.9 | L127 R128 F133 F134 L135 | L127-K131 WeakPolarHBondContact O-CB 3.45Å; L127-K131 PolarHBondContact O-N 3.3Å; R128-K131 PolarHBondContact O-N 2.94Å; K131-F133 VanDerWaalsContact C-N 3.35Å; K131-F134 PolarHBondContact O-N 3.08Å; K131-L135 VanDerWaalsContact O-CB 3.25Å; K131-L135 WeakPolarHBondContact O-CB 3.5Å; K131-L135 PolarHBondContact O-N 3.01Å |
| 132 | S | 64.3 | Low | 59.1 | Low | 56 Ų | 56 | 118.9 Ų | 118.9 | 39% | 0.392 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.8 | -36.9 | 175.8 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | R128 S129 L130 T136 | R128-S132 WeakPolarHBondContact O-CB 3.02Å; R128-S132 PolarHBondContact O-N 2.68Å; R128-S132 PolarHBondContact O-OG 3.46Å; R128-S132 VanDerWaalsContact O-OG 3.08Å; S129-S132 WeakPolarHBondContact CA-OG 3.49Å; S129-S132 PolarHBondContact O-N 3.2Å; S129-S132 PolarHBondContact O-OG 2.86Å; L130-S132 PolarHBondContact O-N 3.49Å; S132-T136 WeakPolarHBondContact O-CB 3.31Å; S132-T136 PolarHBondContact O-N 2.6Å; S132-T136 PolarHBondContact O-OG1 3.01Å |
| 133 | F | 61.1 | Low | 59.5 | Low | 165 Ų | 165 | 124.1 Ų | 124.1 | 72% | 0.724 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.4 | -38.5 | 176.4 | -102.5 | -86.3 | 0 | 0 | 0 | 112.6 | S129 L130 K131 | S129-F133 WeakPolarHBondContact O-CD2 3.38Å; S129-F133 PolarHBondContact O-N 3.34Å; L130-F133 PolarHBondContact O-N 3.22Å; K131-F133 VanDerWaalsContact C-N 3.35Å |
| 134 | F | 60.8 | Low | 59.9 | Low | 163 Ų | 163 | 122.4 Ų | 122.4 | 72% | 0.715 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -78.9 | -23.6 | 179.4 | -85.9 | -81.5 | 0 | 0 | 0 | 114.2 | L130 K131 | L130-F134 HydrophobicContact CD2-CE2 4.48Å; L130-F134 HydrophobicContact CG-CD2 4.25Å; L130-F134 HydrophobicContact CG-CE2 4.18Å; L130-F134 WeakPolarHBondContact O-CD2 3.26Å; L130-F134 PolarHBondContact O-N 2.98Å; K131-F134 PolarHBondContact O-N 3.08Å |
| 135 | L | 62.1 | Low | 60.1 | Low | 134 Ų | 134 | 126.8 Ų | 126.8 | 70% | 0.702 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -95.5 | -3.7 | -174.5 | -147.4 | 122 | 0 | 0 | 0 | 114.1 | K131 | K131-L135 VanDerWaalsContact O-CB 3.25Å; K131-L135 WeakPolarHBondContact O-CB 3.5Å; K131-L135 PolarHBondContact O-N 3.01Å |
| 136 | T | 58.1 | Low | 60 | Low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 61% | 0.611 | S | S | * | * | trans | -112.2 | 17.9 | -175 | -38.8 | 0 | 0 | 0 | 0 | 112.8 | S132 | S132-T136 WeakPolarHBondContact O-CB 3.31Å; S132-T136 PolarHBondContact O-N 2.6Å; S132-T136 PolarHBondContact O-OG1 3.01Å | ||
| 137 | R | 42.1 | Very low | 59.8 | Low | 293 Ų | 293 | 136.5 Ų | 136.5 | 100% | 1.106 | 64% | 0.641 | S | S | * | * | trans | -131.7 | 0 | 176.4 | -173.6 | 177.9 | -174.3 | 169.4 | 2.9 | 109.4 |
Retrieved 137 of 137 residues in 104.8 ms
(Link to these results)