| 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 | 40.7 | Very low | 36.7 | Very low | 235 Ų | 235 | 136.5 Ų | 136.5 | 100% | 1.158 | 79% | 0.794 | S | S | * | * | 0 | 116.6 | 0 | -108.2 | 166.8 | 175 | 0 | 0 | 106.4 | |||||
| 2 | E | 39.1 | Very low | 36.3 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 41.3 | 127.9 | 154.3 | -63.3 | 178.7 | 155.2 | 0 | 0 | 118.1 | ||||
| 3 | Q | 40.6 | Very low | 35.9 | Very low | 154 Ų | 154 | 137 Ų | 137 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | cis | -175.8 | 136.4 | 15 | -128.6 | 180 | 2.9 | 0 | 0 | 106.9 | ||||
| 4 | T | 41.8 | Very low | 36.1 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | 52.7 | 139.6 | 133.5 | 38.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 5 | I | 42.4 | Very low | 35.9 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | cis | -167.8 | 145.7 | 17 | -89 | 142.7 | 0 | 0 | 0 | 104.1 | ||||
| 6 | G | 32.9 | Very low | 36.1 | Very low | 58 Ų | 58 | 138.4 Ų | 138.4 | 60% | 0.598 | 79% | 0.792 | S | S | * | * | cis | 124.1 | 95.3 | 15.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 7 | S | 34.1 | Very low | 36.2 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | 68 | 162.5 | 144 | 96.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 8 | A | 34.2 | Very low | 36.3 | Very low | 88 Ų | 88 | 143.4 Ų | 143.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -179.1 | 148.1 | -26.9 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 9 | V | 32.5 | Very low | 36.5 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -63.1 | 128 | 173 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 10 | Q | 32.7 | Very low | 36.6 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | 177.6 | 141.2 | 134.2 | -108.3 | 174.3 | -11.4 | 0 | 0 | 114.3 | ||||
| 11 | A | 32.8 | Very low | 36.7 | Very low | 82 Ų | 82 | 149.6 Ų | 149.6 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | 79.3 | 108.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 12 | N | 32.2 | Very low | 36.4 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | 62.5 | 127.1 | 121.6 | -71.4 | -10.8 | 0 | 0 | 0 | 122.2 | |||||
| 13 | T | 30.7 | Very low | 36.3 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 75.8 | 147.7 | 141.2 | 32.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 14 | S | 38.9 | Very low | 36.1 | Very low | 103 Ų | 103 | 150.8 Ų | 150.8 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | 81.5 | 104 | 171.8 | 69 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 15 | E | 32.2 | Very low | 36 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | 73 | 141.5 | 71.7 | -163.9 | 173.9 | -144.4 | 0 | 0 | 110.7 | |||||
| 16 | I | 39.2 | Very low | 35.7 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | 102.7 | 122.7 | -175.8 | -56.2 | 156.9 | 0 | 0 | 0 | 112.3 | ||||
| 17 | L | 38.9 | Very low | 35.9 | Very low | 142 Ų | 142 | 155.7 Ų | 155.7 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | cis | -177.2 | 115.4 | -9.3 | -118.8 | 133.1 | 0 | 0 | 0 | 104.6 | ||||
| 18 | R | 38.1 | Very low | 35.9 | Very low | 225 Ų | 225 | 156.4 Ų | 156.4 | 85% | 0.849 | 82% | 0.818 | S | S | * | * | 52 | 116.1 | 103.8 | -120.8 | -179.6 | 178.3 | -179.8 | 1.4 | 117.5 | |||||
| 19 | K | 40.3 | Very low | 35.8 | Very low | 210 Ų | 210 | 160.9 Ų | 160.9 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -166.6 | 150.4 | 140.5 | -108.1 | 176.5 | -179.5 | 175.6 | 0 | 110 | ||||
| 20 | N | 37.3 | Very low | 35.7 | Very low | 145 Ų | 145 | 161.3 Ų | 161.3 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | -165.9 | 166.2 | -53.3 | -146.1 | -13.8 | 0 | 0 | 0 | 106.7 | |||||
| 21 | K | 39.8 | Very low | 35.5 | Very low | 205 Ų | 205 | 157.6 Ų | 157.6 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | 80.9 | 121.5 | 171.4 | -70.3 | 178.3 | 169.2 | 177.2 | 0 | 116.7 | ||||
| 22 | G | 33.5 | Very low | 35.5 | Very low | 73 Ų | 73 | 161 Ų | 161 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | cis | 116.3 | 106.7 | 6.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 23 | R | 37.9 | Very low | 36 | Very low | 259 Ų | 259 | 158.7 Ų | 158.7 | 98% | 0.977 | 81% | 0.811 | S | S | * | * | trans | -168.8 | 127.8 | 138.3 | -116.5 | 175.1 | 175.3 | 173.7 | -2.5 | 112.4 | ||||
| 24 | R | 35.8 | Very low | 36.2 | Very low | 249 Ų | 249 | 154.9 Ų | 154.9 | 94% | 0.94 | 80% | 0.798 | S | S | * | * | trans | -79.4 | 143.8 | 170.7 | -68.6 | 174.7 | 171 | 177 | -3.7 | 110 | ||||
| 25 | S | 39.7 | Very low | 36.3 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -158.3 | 89.5 | 158.5 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 26 | S | 36.4 | Very low | 36.6 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | 72.9 | 110.7 | 100.4 | 73.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 27 | K | 36.1 | Very low | 36.5 | Very low | 211 Ų | 211 | 150.3 Ų | 150.3 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -36.8 | 131.4 | 168.9 | -67.9 | 169.3 | 171.9 | 176.2 | 0 | 114.4 | ||||
| 28 | V | 35.9 | Very low | 36.3 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -143.7 | 131.8 | 140.1 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 29 | K | 31.5 | Very low | 36.4 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -65.8 | 140 | 175.1 | -66.9 | 169.5 | 168 | -180 | 0 | 110.7 | ||||
| 30 | N | 29.6 | Very low | 36.2 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | 160.5 | 146.2 | 123.8 | -82.1 | -15.1 | 0 | 0 | 0 | 111.9 | |||||
| 31 | S | 29.9 | Very low | 36 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | 63.6 | 100.2 | 166.3 | 57.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 32 | D | 31 | Very low | 35.7 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | S | Bend | 3.1 | 145.1 | 127.4 | -61.6 | -42.9 | 0 | 0 | 0 | 116.7 | |||
| 33 | V | 43.4 | Very low | 35.6 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 62% | 0.618 | 72% | 0.719 | S | S | * | * | trans | 105.9 | -21 | 169 | -169.2 | 0 | 0 | 0 | 0 | 116.2 | L37 | V33-L37 HydrophobicContact CG1-CD1 4.44Š| ||
| 34 | G | 35.3 | Very low | 35.5 | Very low | 51 Ų | 51 | 127.5 Ų | 127.5 | 53% | 0.526 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -60.2 | -51.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | I36 L37 | G34-I36 VanDerWaalsContact C-N 3.33Å; G34-I36 PolarHBondContact O-N 2.87Å; G34-L37 PolarHBondContact O-N 2.65Å |
| 35 | P | 40.5 | Very low | 35.3 | Very low | 99 Ų | 99 | 120.9 Ų | 120.9 | 64% | 0.643 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -82.4 | -5.5 | -169.7 | 28.7 | -31.1 | 0 | 0 | 0 | 114.8 | T39 | P35-T39 PolarHBondContact O-OG1 3.02Å |
| 36 | I | 39.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 59% | 0.59 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -86.6 | -24.6 | 175.4 | -61.5 | 172.9 | 0 | 0 | 0 | 110.8 | G34 T39 L40 | G34-I36 VanDerWaalsContact C-N 3.33Å; G34-I36 PolarHBondContact O-N 2.87Å; I36-T39 PolarHBondContact O-OG1 3.43Å; I36-L40 HydrophobicContact CG2-CD1 4.2Å; I36-L40 WeakPolarHBondContact O-CD1 3.27Å; I36-L40 PolarHBondContact O-N 2.92Å |
| 37 | L | 36.8 | Very low | 34.7 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -79.4 | -33.3 | 179.3 | -121.4 | 82.8 | 0 | 0 | 0 | 112.9 | V33 G34 L40 G41 | V33-L37 HydrophobicContact CG1-CD1 4.44Å; G34-L37 PolarHBondContact O-N 2.65Å; L37-L40 PolarHBondContact O-N 3.1Å; L37-G41 PolarHBondContact O-N 2.68Å |
| 38 | E | 34.9 | Very low | 34.5 | Very low | 161 Ų | 161 | 115.6 Ų | 115.6 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75.1 | -27.4 | 176.8 | -78.8 | -179.8 | 159.8 | 0 | 0 | 112.5 | ||
| 39 | T | 40.1 | Very low | 34.4 | Very low | 92 Ų | 92 | 117 Ų | 117 | 56% | 0.564 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -80.6 | -18 | 171.6 | 28.2 | 0 | 0 | 0 | 0 | 113.4 | P35 I36 | P35-T39 PolarHBondContact O-OG1 3.02Å; I36-T39 PolarHBondContact O-OG1 3.43Å |
| 40 | L | 34.7 | Very low | 34.5 | Very low | 99 Ų | 99 | 113.7 Ų | 113.7 | 52% | 0.518 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -84.5 | -17.7 | 171.1 | -105.5 | 80.6 | 0 | 0 | 0 | 113.5 | I36 L37 | I36-L40 HydrophobicContact CG2-CD1 4.2Å; I36-L40 WeakPolarHBondContact O-CD1 3.27Å; I36-L40 PolarHBondContact O-N 2.92Å; L37-L40 PolarHBondContact O-N 3.1Å |
| 41 | G | 33.7 | Very low | 34.7 | Very low | 49 Ų | 49 | 115.1 Ų | 115.1 | 51% | 0.505 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -76.5 | -27.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L37 | L37-G41 PolarHBondContact O-N 2.68Å |
| 42 | D | 33.5 | Very low | 34.9 | Very low | 129 Ų | 129 | 116.9 Ų | 116.9 | 69% | 0.69 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -98.1 | -9.8 | -176.7 | -74.1 | -19.2 | 0 | 0 | 0 | 113.9 | ||
| 43 | D | 32.4 | Very low | 35.3 | Very low | 131 Ų | 131 | 115.9 Ų | 115.9 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -3.4 | -179.2 | -97.6 | -8.1 | 0 | 0 | 0 | 114.2 | ||
| 44 | V | 34.9 | Very low | 34.9 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -9.8 | -173.1 | 175.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 45 | T | 31.4 | Very low | 35 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -125.3 | 1.4 | -171.1 | 39.5 | 0 | 0 | 0 | 0 | 116.6 | ||
| 46 | I | 31.6 | Very low | 34.6 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -123.9 | -6 | -176.1 | -55 | 179.2 | 0 | 0 | 0 | 114 | S48 | I46-S48 VanDerWaalsContact C-N 3.27Å; I46-S48 PolarHBondContact O-N 3.42Å |
| 47 | A | 31.7 | Very low | 34.6 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 5.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 48 | S | 33 | Very low | 34.4 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -3.1 | -179.1 | 69.4 | 0 | 0 | 0 | 0 | 115.8 | I46 | I46-S48 VanDerWaalsContact C-N 3.27Å; I46-S48 PolarHBondContact O-N 3.42Å |
| 49 | E | 32.6 | Very low | 34.5 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -132.3 | -1.8 | -172.8 | -75.9 | -172.4 | 153.1 | 0 | 0 | 116.7 | ||
| 50 | T | 35 | Very low | 34.3 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -112.8 | 3.2 | -173.5 | 45.5 | 0 | 0 | 0 | 0 | 116.3 | N52 | T50-N52 VanDerWaalsContact C-N 3.35Š|
| 51 | E | 32.7 | Very low | 34.3 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -92.7 | 12 | 173.1 | -143 | -173.9 | 179.4 | 0 | 0 | 114 | ||
| 52 | N | 33.8 | Very low | 34.5 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -89.9 | 105 | 162.5 | -83.1 | -32 | 0 | 0 | 0 | 107.6 | T50 | T50-N52 VanDerWaalsContact C-N 3.35Š|
| 53 | V | 39.1 | Very low | 34.5 | Very low | 131 Ų | 131 | 132 Ų | 132 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 169.6 | -22.2 | 140.3 | 156.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 54 | N | 36.9 | Very low | 34.5 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -128.6 | 20.2 | -163.4 | -90.8 | -19.9 | 0 | 0 | 0 | 121.1 | ||
| 55 | K | 36.3 | Very low | 34.5 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | trans | -125.1 | 70.9 | 166.3 | -81.9 | -180 | 179.9 | 169 | 0 | 113.1 | R57 | K55-R57 PolarHBondContact O-N 2.86Š| ||
| 56 | K | 33.4 | Very low | 34.7 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | trans | -66.3 | 99.4 | 154.4 | -99.9 | 178.8 | 174 | 173.4 | 0 | 108.3 | ||||
| 57 | R | 37.5 | Very low | 35 | Very low | 226 Ų | 226 | 138.9 Ų | 138.9 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | 176.8 | 107.5 | 145.5 | -97.8 | 162 | -169.9 | -179.2 | 4.3 | 111.3 | K55 | K55-R57 PolarHBondContact O-N 2.86Š| ||
| 58 | N | 32.6 | Very low | 35.3 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | 48.1 | 93.1 | 139.2 | -54.2 | -4.4 | 0 | 0 | 0 | 118.5 | ||||
| 59 | S | 38.3 | Very low | 35.5 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -137.4 | 108.5 | 145.9 | 69.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 60 | L | 36.1 | Very low | 35.6 | Very low | 48 Ų | 48 | 144.5 Ų | 144.5 | 25% | 0.251 | 76% | 0.762 | S | S | . | * | trans | -105.3 | 106.9 | -176 | -111.2 | 159.7 | 0 | 0 | 0 | 108.2 | V91 E92 N93 K112 | L60-V91 HydrophobicContact CD1-CG1 4.47Å; L60-V91 HydrophobicContact CD2-CG1 3.59Å; L60-E92 WeakPolarHBondContact CD2-O 3.01Å; L60-N93 VanDerWaalsContact CD1-OD1 3.25Å; L60-N93 WeakPolarHBondContact CD1-OD1 3.3Å; L60-N93 HydrophobicContact CD2-CB 4.08Å; L60-N93 WeakPolarHBondContact CD2-OD1 3.47Å; L60-N93 WeakPolarHBondContact CG-OD1 2.98Å; L60-K112 PolarHBondContact O-NZ 3.04Å | ||
| 61 | V | 33 | Very low | 35.7 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -95 | 106 | 175 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 62 | T | 38.3 | Very low | 36 | Very low | 48 Ų | 48 | 144 Ų | 144 | 29% | 0.294 | 76% | 0.761 | S | S | . | * | trans | -123.3 | 105 | 167.6 | 41.7 | 0 | 0 | 0 | 0 | 108.7 | A64 V91 E92 | T62-A64 PolarHBondContact O-N 2.94Å; T62-V91 HydrophobicContact CG2-CG1 3.48Å; T62-V91 VanDerWaalsContact CG2-CG1 3.48Å; T62-E92 HydrophobicContact CG2-CB 4.03Å; T62-E92 VanDerWaalsContact CG2-O 3.31Å; T62-E92 WeakPolarHBondContact CG2-O 3.48Å | ||
| 63 | G | 33 | Very low | 36.1 | Very low | 84 Ų | 84 | 148.8 Ų | 148.8 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | -80.5 | 89.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 64 | A | 33.6 | Very low | 36 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -96.5 | 113.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | T62 E66 | T62-A64 PolarHBondContact O-N 2.94Å; A64-E66 PolarHBondContact O-N 2.79Å | ||
| 65 | K | 34.6 | Very low | 35.9 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 124.2 | 172.1 | -162.2 | 176.5 | -176.3 | -178.8 | 0 | 107.4 | I67 | K65-I67 PolarHBondContact O-N 3.41Å; K65-I67 VanDerWaalsContact O-N 3.16Å |
| 66 | E | 36 | Very low | 36.1 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 117 | 176.4 | -131 | 172.3 | -174.9 | 0 | 0 | 109.7 | A64 | A64-E66 PolarHBondContact O-N 2.79Š|
| 67 | I | 37.4 | Very low | 36.2 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 122.4 | 167.8 | -57.3 | 172.4 | 0 | 0 | 0 | 105.2 | K65 F69 | K65-I67 PolarHBondContact O-N 3.41Å; K65-I67 VanDerWaalsContact O-N 3.16Å; I67-F69 PolarHBondContact O-N 3.1Å |
| 68 | P | 38.6 | Very low | 36.6 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 125.6 | -177.8 | 23.7 | -31.5 | 0 | 0 | 0 | 110 | M70 | P68-M70 PolarHBondContact O-N 2.92Å; P68-M70 VanDerWaalsContact O-N 3.16Å |
| 69 | F | 36.8 | Very low | 36.7 | Very low | 212 Ų | 212 | 133.9 Ų | 133.9 | 93% | 0.93 | 74% | 0.741 | S | S | * | * | trans | -59.4 | 113.3 | 165.1 | -92 | -97.5 | 0 | 0 | 0 | 108.4 | I67 D71 | I67-F69 PolarHBondContact O-N 3.1Å; F69-D71 PolarHBondContact O-N 3.11Å | ||
| 70 | M | 35.3 | Very low | 36.8 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | trans | -78 | 106.7 | 164.4 | -81.7 | -158.3 | 122 | 0 | 0 | 108.6 | P68 N72 | P68-M70 PolarHBondContact O-N 2.92Å; P68-M70 VanDerWaalsContact O-N 3.16Å; M70-N72 VanDerWaalsContact C-N 3.27Å; M70-N72 PolarHBondContact O-N 2.99Å; M70-N72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | D | 36.5 | Very low | 36.8 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -80.4 | 74.5 | 172.5 | -150.8 | 13.4 | 0 | 0 | 0 | 108.8 | F69 | F69-D71 PolarHBondContact O-N 3.11Š| ||
| 72 | N | 39.4 | Very low | 37 | Very low | 131 Ų | 131 | 141 Ų | 141 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -109.6 | 89.9 | 171.7 | -84.6 | -7.3 | 0 | 0 | 0 | 109.9 | M70 G74 | M70-N72 VanDerWaalsContact C-N 3.27Å; M70-N72 PolarHBondContact O-N 2.99Å; M70-N72 VanDerWaalsContact O-N 3.09Å; N72-G74 PolarHBondContact O-N 3.32Å | ||
| 73 | R | 35.6 | Very low | 37 | Very low | 243 Ų | 243 | 148 Ų | 148 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -53.8 | 123.9 | 151 | -83.2 | 175.3 | 167 | 175.2 | -3.5 | 109.1 | ||||
| 74 | G | 37.3 | Very low | 37.5 | Very low | 59 Ų | 59 | 152.7 Ų | 152.7 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 113.5 | 119.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N72 | N72-G74 PolarHBondContact O-N 3.32Š|
| 75 | D | 34 | Very low | 38.3 | Very low | 160 Ų | 160 | 157.9 Ų | 157.9 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 71 | 62.2 | 153.3 | -56.9 | -14.9 | 0 | 0 | 0 | 119.1 | ||||
| 76 | I | 40.3 | Very low | 39.1 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | -136.5 | 73.3 | 145.5 | -49.9 | 177.5 | 0 | 0 | 0 | 109.4 | I78 | I76-I78 HydrophobicContact CG2-CB 3.93Å; I76-I78 HydrophobicContact CG2-CD1 4.03Å; I76-I78 HydrophobicContact CG2-CG1 3.86Å; I76-I78 PolarHBondContact O-N 2.93Å; I76-I78 VanDerWaalsContact O-N 3.11Å | ||
| 77 | S | 36.4 | Very low | 40.3 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -76.8 | 76.2 | 156.7 | 58.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 78 | I | 45 | Very low | 41.7 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | trans | -127.7 | 111 | 169.3 | -57.9 | 179.4 | 0 | 0 | 0 | 107 | I76 F80 | I76-I78 HydrophobicContact CG2-CB 3.93Å; I76-I78 HydrophobicContact CG2-CD1 4.03Å; I76-I78 HydrophobicContact CG2-CG1 3.86Å; I76-I78 PolarHBondContact O-N 2.93Å; I76-I78 VanDerWaalsContact O-N 3.11Å; I78-F80 WeakPolarHBondContact O-CD2 3.42Å; I78-F80 PolarHBondContact O-N 3.2Å | ||
| 79 | N | 36.2 | Very low | 42.9 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -13.4 | 89.7 | 168.9 | -78.4 | -28.2 | 0 | 0 | 0 | 115.3 | ||||
| 80 | F | 38.9 | Very low | 44.3 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | -104 | 69.2 | 155.4 | -84.1 | -84 | 0 | 0 | 0 | 107.9 | I78 E82 | I78-F80 WeakPolarHBondContact O-CD2 3.42Å; I78-F80 PolarHBondContact O-N 3.2Å; F80-E82 PolarHBondContact O-N 2.83Å | ||
| 81 | S | 37.3 | Very low | 45.6 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | trans | -62.6 | 125.8 | 162.2 | -77.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 82 | E | 37.2 | Very low | 46.7 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 84% | 0.841 | 65% | 0.65 | S | S | * | * | trans | 69 | 36.1 | 156.9 | -62.5 | -176.3 | 150 | 0 | 0 | 119.4 | F80 Q84 | F80-E82 PolarHBondContact O-N 2.83Å; E82-Q84 VanDerWaalsContact C-N 3.32Å; E82-Q84 PolarHBondContact O-N 3.43Å; E82-Q84 VanDerWaalsContact O-N 3.08Å | ||
| 83 | R | 38.1 | Very low | 47.7 | Very low | 194 Ų | 194 | 123.2 Ų | 123.2 | 73% | 0.732 | 63% | 0.625 | S | S | * | * | trans | -77.4 | 89.9 | 152.2 | -73 | -167.4 | -171.7 | -161.8 | 4.4 | 109.4 | F85 | R83-F85 PolarHBondContact O-N 2.81Å; R83-F85 VanDerWaalsContact O-N 3.07Å | ||
| 84 | Q | 44 | Very low | 48.4 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 85% | 0.85 | 63% | 0.626 | S | S | * | * | trans | -57.1 | 111.4 | 165.5 | -75.7 | -177.6 | -7.3 | 0 | 0 | 108.8 | E82 T86 | E82-Q84 VanDerWaalsContact C-N 3.32Å; E82-Q84 PolarHBondContact O-N 3.43Å; E82-Q84 VanDerWaalsContact O-N 3.08Å; Q84-T86 PolarHBondContact O-N 3.38Å; Q84-T86 VanDerWaalsContact O-N 3.11Å | ||
| 85 | F | 49.4 | Very low | 49.4 | Very low | 203 Ų | 203 | 125 Ų | 125 | 89% | 0.89 | 63% | 0.627 | S | S | * | * | trans | -59.4 | 113.4 | 169.2 | -80.5 | -90 | 0 | 0 | 0 | 108.4 | R83 | R83-F85 PolarHBondContact O-N 2.81Å; R83-F85 VanDerWaalsContact O-N 3.07Å | ||
| 86 | T | 52.2 | Low | 50.8 | Low | 90 Ų | 90 | 118.9 Ų | 118.9 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | trans | -72.3 | 128.8 | 171.6 | 45.9 | 0 | 0 | 0 | 0 | 108.2 | Q84 N88 | Q84-T86 PolarHBondContact O-N 3.38Å; Q84-T86 VanDerWaalsContact O-N 3.11Å; T86-N88 PolarHBondContact O-N 3.14Å | ||
| 87 | P | 61.5 | Low | 51.7 | Low | 90 Ų | 90 | 119.2 Ų | 119.2 | 58% | 0.584 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -72.9 | 20.5 | -176.9 | 30.2 | -36.1 | 0 | 0 | 0 | 113.4 | I102 | P87-I102 PolarHBondContact O-N 3.16Š|
| 88 | N | 66.6 | Low | 53.1 | Low | 57 Ų | 57 | 120.5 Ų | 120.5 | 31% | 0.305 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.5 | -168.7 | -69.3 | -25.4 | 0 | 0 | 0 | 110.9 | T86 H100 | T86-N88 PolarHBondContact O-N 3.14Å; N88-H100 CarbonylContact C-O 3.47Å; N88-H100 VanDerWaalsContact CA-O 3.28Å; N88-H100 WeakPolarHBondContact CA-O 3.33Å |
| 89 | V | 62.4 | Low | 54.1 | Low | 44 Ų | 44 | 117.5 Ų | 117.5 | 27% | 0.267 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.1 | 169.1 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | V91 S99 H100 I102 Y105 | V89-V91 HydrophobicContact CG1-CG2 4.14Å; V89-S99 CarbonylContact O-C 3.59Å; V89-S99 WeakPolarHBondContact O-CA 3.48Å; V89-H100 PolarHBondContact N-O 2.84Å; V89-H100 PolarHBondContact O-N 3.32Å; V89-I102 HydrophobicContact CG2-CB 4.1Å; V89-I102 HydrophobicContact CG2-CD1 4.25Å; V89-I102 HydrophobicContact CG2-CG1 3.85Å; V89-Y105 HydrophobicContact CG1-CD2 4.42Å |
| 90 | Y | 66 | Low | 55.4 | Low | 142 Ų | 142 | 113.2 Ų | 113.2 | 56% | 0.557 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117.3 | 176.3 | -65.8 | -92.8 | 0 | 0 | 0 | 109.5 | ||
| 91 | V | 62.7 | Low | 57 | Low | 8 Ų | 8 | 108.8 Ų | 108.8 | 5% | 0.048 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126 | -179.6 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | L60 T62 V89 N93 R98 Y105 | L60-V91 HydrophobicContact CD1-CG1 4.47Å; L60-V91 HydrophobicContact CD2-CG1 3.59Å; T62-V91 HydrophobicContact CG2-CG1 3.48Å; T62-V91 VanDerWaalsContact CG2-CG1 3.48Å; V89-V91 HydrophobicContact CG1-CG2 4.14Å; V91-N93 PolarHBondContact O-N 3.38Å; V91-R98 PolarHBondContact N-O 3.34Å; V91-R98 PolarHBondContact O-N 2.96Å; V91-Y105 HydrophobicContact CG2-CD2 3.97Å; V91-Y105 HydrophobicContact CG2-CE2 3.89Å |
| 92 | E | 59.9 | Low | 58.4 | Low | 108 Ų | 108 | 107.3 Ų | 107.3 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 114 | 176 | -167.1 | -178.8 | 177.4 | 0 | 0 | 110 | L60 T62 F97 | L60-E92 WeakPolarHBondContact CD2-O 3.01Å; T62-E92 HydrophobicContact CG2-CB 4.03Å; T62-E92 VanDerWaalsContact CG2-O 3.31Å; T62-E92 WeakPolarHBondContact CG2-O 3.48Å; E92-F97 HydrophobicContact CB-CD1 4.01Å; E92-F97 HydrophobicContact CB-CE1 3.72Å; E92-F97 HydrophobicContact CB-CZ 4.23Å; E92-F97 HydrophobicContact CG-CD1 4.31Å; E92-F97 HydrophobicContact CG-CE1 3.94Å; E92-F97 HydrophobicContact CG-CE2 4.33Å; E92-F97 HydrophobicContact CG-CZ 3.94Å |
| 93 | N | 60.8 | Low | 59.9 | Low | 33 Ų | 33 | 106.7 Ų | 106.7 | 18% | 0.176 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 161.7 | 168.9 | -91.8 | -71.6 | 0 | 0 | 0 | 110.2 | L60 V91 S95 G96 | L60-N93 VanDerWaalsContact CD1-OD1 3.25Å; L60-N93 WeakPolarHBondContact CD1-OD1 3.3Å; L60-N93 HydrophobicContact CD2-CB 4.08Å; L60-N93 WeakPolarHBondContact CD2-OD1 3.47Å; L60-N93 WeakPolarHBondContact CG-OD1 2.98Å; V91-N93 PolarHBondContact O-N 3.38Å; N93-S95 PolarHBondContact O-N 3.14Å; N93-G96 WeakPolarHBondContact CB-O 3.37Å; N93-G96 PolarHBondContact N-O 3.49Å; N93-G96 PolarHBondContact O-N 3.46Å |
| 94 | R | 50.3 | Low | 61.3 | Low | 249 Ų | 249 | 101.5 Ų | 101.5 | 94% | 0.94 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -16.5 | 166.6 | -81.8 | -170.1 | 176.6 | -171.8 | 2.7 | 113.6 | ||
| 95 | S | 57.5 | Low | 62.2 | Low | 90 Ų | 90 | 96.8 Ų | 96.8 | 63% | 0.629 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 13.3 | 177 | 47 | 0 | 0 | 0 | 0 | 114.1 | N93 | N93-S95 PolarHBondContact O-N 3.14Š|
| 96 | G | 65.1 | Low | 62.8 | Low | 32 Ų | 32 | 92.8 Ų | 92.8 | 33% | 0.33 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 107.9 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N93 R98 | N93-G96 WeakPolarHBondContact CB-O 3.37Å; N93-G96 PolarHBondContact N-O 3.49Å; N93-G96 PolarHBondContact O-N 3.46Å; G96-R98 PolarHBondContact O-N 3.04Å |
| 97 | F | 57.7 | Low | 63.6 | Low | 147 Ų | 147 | 95.9 Ų | 95.9 | 65% | 0.645 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.6 | 177.2 | -69.8 | -86.3 | 0 | 0 | 0 | 110.5 | E92 | E92-F97 HydrophobicContact CB-CD1 4.01Å; E92-F97 HydrophobicContact CB-CE1 3.72Å; E92-F97 HydrophobicContact CB-CZ 4.23Å; E92-F97 HydrophobicContact CG-CD1 4.31Å; E92-F97 HydrophobicContact CG-CE1 3.94Å; E92-F97 HydrophobicContact CG-CE2 4.33Å; E92-F97 HydrophobicContact CG-CZ 3.94Å |
| 98 | R | 67 | Low | 63.5 | Low | 151 Ų | 151 | 96.1 Ų | 96.1 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134 | 171.2 | -70.6 | -170 | 176.6 | -136.4 | -1.9 | 110.1 | V91 G96 | V91-R98 PolarHBondContact N-O 3.34Å; V91-R98 PolarHBondContact O-N 2.96Å; G96-R98 PolarHBondContact O-N 3.04Å |
| 99 | S | 65.9 | Low | 62.9 | Low | 59 Ų | 59 | 98.8 Ų | 98.8 | 41% | 0.413 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 130.1 | 167.4 | 40 | 0 | 0 | 0 | 0 | 110 | V89 | V89-S99 CarbonylContact O-C 3.59Å; V89-S99 WeakPolarHBondContact O-CA 3.48Å |
| 100 | H | 63 | Low | 62.6 | Low | 66 Ų | 66 | 100.5 Ų | 100.5 | 31% | 0.306 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.8 | 167.6 | -78.7 | -75.6 | 0 | 0 | 0 | 109.3 | N88 V89 I102 | N88-H100 CarbonylContact C-O 3.47Å; N88-H100 VanDerWaalsContact CA-O 3.28Å; N88-H100 WeakPolarHBondContact CA-O 3.33Å; V89-H100 PolarHBondContact N-O 2.84Å; V89-H100 PolarHBondContact O-N 3.32Å; H100-I102 PolarHBondContact O-N 2.87Å |
| 101 | P | 71.8 | Confident | 62.3 | Low | 55 Ų | 55 | 97.9 Ų | 97.9 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 136.4 | 171.9 | -17.9 | 29.4 | 0 | 0 | 0 | 110 | K103 D104 Y105 | P101-K103 PolarHBondContact O-N 2.85Å; P101-K103 VanDerWaalsContact O-N 3.1Å; P101-D104 PolarHBondContact O-N 2.86Å; P101-Y105 PolarHBondContact O-N 3.09Å |
| 102 | I | 67.1 | Low | 62 | Low | 74 Ų | 74 | 101.1 Ų | 101.1 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55 | -34.7 | -176.2 | -162.7 | 161.6 | 0 | 0 | 0 | 112.6 | P87 V89 H100 D104 Y105 E106 | P87-I102 PolarHBondContact O-N 3.16Å; V89-I102 HydrophobicContact CG2-CB 4.1Å; V89-I102 HydrophobicContact CG2-CD1 4.25Å; V89-I102 HydrophobicContact CG2-CG1 3.85Å; H100-I102 PolarHBondContact O-N 2.87Å; I102-D104 VanDerWaalsContact C-N 3.32Å; I102-D104 PolarHBondContact O-N 3.42Å; I102-Y105 WeakPolarHBondContact O-CB 3.45Å; I102-Y105 PolarHBondContact O-N 3.36Å; I102-Y105 VanDerWaalsContact O-N 3.16Å; I102-E106 HydrophobicContact CG1-CG 4.47Å; I102-E106 WeakPolarHBondContact O-CG 3.28Å; I102-E106 PolarHBondContact O-N 3.42Å |
| 103 | K | 69.8 | Low | 61.8 | Low | 167 Ų | 167 | 97.8 Ų | 97.8 | 73% | 0.726 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62 | -36 | 177.5 | -64.3 | -174.8 | 178.3 | -177.7 | 0 | 113.3 | P101 K107 | P101-K103 PolarHBondContact O-N 2.85Å; P101-K103 VanDerWaalsContact O-N 3.1Å; K103-K107 WeakPolarHBondContact O-CB 3.11Å; K103-K107 PolarHBondContact O-N 2.85Å |
| 104 | D | 66.5 | Low | 61.5 | Low | 84 Ų | 84 | 101.4 Ų | 101.4 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -78.2 | -30.7 | 178 | -68.4 | -22.9 | 0 | 0 | 0 | 111.1 | P101 I102 N108 | P101-D104 PolarHBondContact O-N 2.86Å; I102-D104 VanDerWaalsContact C-N 3.32Å; I102-D104 PolarHBondContact O-N 3.42Å; D104-N108 VanDerWaalsContact O-CG 3.32Å; D104-N108 PolarHBondContact O-N 3.28Å; D104-N108 PolarHBondContact O-ND2 2.87Å |
| 105 | Y | 62.7 | Low | 61.8 | Low | 84 Ų | 84 | 95.4 Ų | 95.4 | 33% | 0.329 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.6 | -49.7 | 175.6 | -171 | -94.1 | 0 | 0 | 0 | 111.3 | V89 V91 P101 I102 K107 N108 M109 | V89-Y105 HydrophobicContact CG1-CD2 4.42Å; V91-Y105 HydrophobicContact CG2-CD2 3.97Å; V91-Y105 HydrophobicContact CG2-CE2 3.89Å; P101-Y105 PolarHBondContact O-N 3.09Å; I102-Y105 WeakPolarHBondContact O-CB 3.45Å; I102-Y105 PolarHBondContact O-N 3.36Å; I102-Y105 VanDerWaalsContact O-N 3.16Å; Y105-K107 VanDerWaalsContact C-N 3.32Å; Y105-K107 PolarHBondContact O-N 3.2Å; Y105-N108 PolarHBondContact O-N 2.88Å; Y105-N108 VanDerWaalsContact O-N 3.13Å; Y105-M109 HydrophobicContact CD1-SD 4.46Å; Y105-M109 HydrophobicContact CE1-CE 4.23Å; Y105-M109 HydrophobicContact CE1-SD 3.9Å; Y105-M109 PolarHBondContact O-N 3.29Å |
| 106 | E | 62.5 | Low | 61.7 | Low | 119 Ų | 119 | 96.8 Ų | 96.8 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.1 | -38.5 | 179.5 | -74.1 | 177.8 | 170.8 | 0 | 0 | 112.5 | I102 N108 M109 P110 | I102-E106 HydrophobicContact CG1-CG 4.47Å; I102-E106 WeakPolarHBondContact O-CG 3.28Å; I102-E106 PolarHBondContact O-N 3.42Å; E106-N108 VanDerWaalsContact C-N 3.29Å; E106-N108 PolarHBondContact O-N 3.4Å; E106-M109 PolarHBondContact O-N 2.82Å; E106-P110 WeakPolarHBondContact O-CD 3.16Å |
| 107 | K | 68.2 | Low | 61.2 | Low | 155 Ų | 155 | 97.6 Ų | 97.6 | 67% | 0.674 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.4 | -31.7 | 177.1 | -170.7 | 175.8 | 179.3 | -179.1 | 0 | 112.9 | K103 Y105 | K103-K107 WeakPolarHBondContact O-CB 3.11Å; K103-K107 PolarHBondContact O-N 2.85Å; Y105-K107 VanDerWaalsContact C-N 3.32Å; Y105-K107 PolarHBondContact O-N 3.2Å |
| 108 | N | 59.8 | Low | 60.9 | Low | 94 Ų | 94 | 94 Ų | 94 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -90 | -18.1 | -178.1 | -68.9 | -38.4 | 0 | 0 | 0 | 113.3 | D104 Y105 E106 I111 K112 | D104-N108 VanDerWaalsContact O-CG 3.32Å; D104-N108 PolarHBondContact O-N 3.28Å; D104-N108 PolarHBondContact O-ND2 2.87Å; Y105-N108 PolarHBondContact O-N 2.88Å; Y105-N108 VanDerWaalsContact O-N 3.13Å; E106-N108 VanDerWaalsContact C-N 3.29Å; E106-N108 PolarHBondContact O-N 3.4Å; N108-I111 PolarHBondContact O-N 3.19Å; N108-K112 WeakPolarHBondContact O-CB 3.02Å; N108-K112 PolarHBondContact O-N 3.28Å |
| 109 | M | 54.4 | Low | 60.4 | Low | 113 Ų | 113 | 90.7 Ų | 90.7 | 56% | 0.557 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.5 | -47.2 | -178.2 | -153.4 | 170.3 | -170.8 | 0 | 0 | 114.2 | Y105 E106 I111 K112 G113 | Y105-M109 HydrophobicContact CD1-SD 4.46Å; Y105-M109 HydrophobicContact CE1-CE 4.23Å; Y105-M109 HydrophobicContact CE1-SD 3.9Å; Y105-M109 PolarHBondContact O-N 3.29Å; E106-M109 PolarHBondContact O-N 2.82Å; M109-I111 VanDerWaalsContact C-N 3.33Å; M109-I111 PolarHBondContact O-N 3.46Å; M109-K112 PolarHBondContact O-N 3Å; M109-G113 PolarHBondContact O-N 3.47Å; M109-G113 VanDerWaalsContact O-N 3.08Å |
| 110 | P | 56.2 | Low | 59.8 | Low | 81 Ų | 81 | 95 Ų | 95 | 53% | 0.526 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.2 | -29.2 | 177.7 | 27 | -32.9 | 0 | 0 | 0 | 112.5 | E106 N114 | E106-P110 WeakPolarHBondContact O-CD 3.16Å; P110-N114 PolarHBondContact O-N 2.89Å; P110-N114 VanDerWaalsContact O-N 3.1Å |
| 111 | I | 59.9 | Low | 59.1 | Low | 86 Ų | 86 | 100.7 Ų | 100.7 | 44% | 0.441 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 175.9 | -58.6 | 173.7 | 0 | 0 | 0 | 109.6 | N108 M109 N114 E115 | N108-I111 PolarHBondContact O-N 3.19Å; M109-I111 VanDerWaalsContact C-N 3.33Å; M109-I111 PolarHBondContact O-N 3.46Å; I111-N114 PolarHBondContact O-N 2.63Å; I111-E115 PolarHBondContact O-N 3.33Å |
| 112 | K | 55.6 | Low | 58.1 | Low | 77 Ų | 77 | 102.6 Ų | 102.6 | 34% | 0.335 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 179.6 | -154.6 | 178.6 | -176.8 | -171.5 | 0 | 112.5 | L60 N108 M109 N114 E115 E116 | L60-K112 PolarHBondContact O-NZ 3.04Å; N108-K112 WeakPolarHBondContact O-CB 3.02Å; N108-K112 PolarHBondContact O-N 3.28Å; M109-K112 PolarHBondContact O-N 3Å; K112-N114 VanDerWaalsContact C-N 3.32Å; K112-N114 PolarHBondContact O-N 2.93Å; K112-E115 PolarHBondContact O-N 2.92Å; K112-E116 WeakPolarHBondContact O-CB 3.46Å; K112-E116 WeakPolarHBondContact O-CG 3.09Å; K112-E116 PolarHBondContact O-N 3.37Å |
| 113 | G | 56.6 | Low | 57.2 | Low | 37 Ų | 37 | 102.9 Ų | 102.9 | 38% | 0.381 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | M109 S117 | M109-G113 PolarHBondContact O-N 3.47Å; M109-G113 VanDerWaalsContact O-N 3.08Å; G113-S117 VanDerWaalsContact O-CB 3.26Å; G113-S117 WeakPolarHBondContact O-CB 3.35Å; G113-S117 PolarHBondContact O-N 3.07Å; G113-S117 PolarHBondContact O-OG 3.14Å |
| 114 | N | 54.4 | Low | 56.2 | Low | 109 Ų | 109 | 100 Ų | 100 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.8 | -40.6 | 173.4 | -80.7 | -11.6 | 0 | 0 | 0 | 112.2 | P110 I111 K112 S117 T118 | P110-N114 PolarHBondContact O-N 2.89Å; P110-N114 VanDerWaalsContact O-N 3.1Å; I111-N114 PolarHBondContact O-N 2.63Å; K112-N114 VanDerWaalsContact C-N 3.32Å; K112-N114 PolarHBondContact O-N 2.93Å; N114-S117 WeakPolarHBondContact CA-OG 3.23Å; N114-S117 PolarHBondContact O-OG 3Å; N114-S117 VanDerWaalsContact O-OG 3.11Å; N114-T118 WeakPolarHBondContact O-CB 3.21Å; N114-T118 PolarHBondContact O-N 3.35Å; N114-T118 PolarHBondContact O-OG1 3.14Å |
| 115 | E | 55.9 | Low | 55.3 | Low | 124 Ų | 124 | 103.6 Ų | 103.6 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -46.1 | 175.8 | -76 | -179.4 | 175 | 0 | 0 | 111.9 | I111 K112 T118 V119 | I111-E115 PolarHBondContact O-N 3.33Å; K112-E115 PolarHBondContact O-N 2.92Å; E115-T118 PolarHBondContact O-N 3.18Å; E115-V119 WeakPolarHBondContact O-CB 3.5Å; E115-V119 WeakPolarHBondContact O-CG2 3.18Å; E115-V119 PolarHBondContact O-N 3.28Å |
| 116 | E | 55.5 | Low | 54.5 | Low | 118 Ų | 118 | 102.4 Ų | 102.4 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -38.8 | 178.8 | -73.5 | 179.1 | -172.7 | 0 | 0 | 112.5 | K112 K120 | K112-E116 WeakPolarHBondContact O-CB 3.46Å; K112-E116 WeakPolarHBondContact O-CG 3.09Å; K112-E116 PolarHBondContact O-N 3.37Å; E116-K120 WeakPolarHBondContact O-CB 3.32Å; E116-K120 PolarHBondContact O-N 3.4Å |
| 117 | S | 54.7 | Low | 53.8 | Low | 49 Ų | 49 | 102.5 Ų | 102.5 | 34% | 0.343 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.3 | -32.6 | 175.4 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | G113 N114 R121 | G113-S117 VanDerWaalsContact O-CB 3.26Å; G113-S117 WeakPolarHBondContact O-CB 3.35Å; G113-S117 PolarHBondContact O-N 3.07Å; G113-S117 PolarHBondContact O-OG 3.14Å; N114-S117 WeakPolarHBondContact CA-OG 3.23Å; N114-S117 PolarHBondContact O-OG 3Å; N114-S117 VanDerWaalsContact O-OG 3.11Å; S117-R121 VanDerWaalsContact O-CB 3.31Å; S117-R121 WeakPolarHBondContact O-CB 3.5Å; S117-R121 WeakPolarHBondContact O-CG 3.47Å; S117-R121 PolarHBondContact O-N 3.14Å |
| 118 | T | 52 | Low | 52.8 | Low | 72 Ų | 72 | 98.9 Ų | 98.9 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.1 | -39.7 | 174.6 | -50.6 | 0 | 0 | 0 | 0 | 110.7 | N114 E115 R121 L122 | N114-T118 WeakPolarHBondContact O-CB 3.21Å; N114-T118 PolarHBondContact O-N 3.35Å; N114-T118 PolarHBondContact O-OG1 3.14Å; E115-T118 PolarHBondContact O-N 3.18Å; T118-R121 PolarHBondContact O-N 3.45Å; T118-L122 HydrophobicContact CG2-CD1 4Å; T118-L122 VanDerWaalsContact O-CB 3.26Å; T118-L122 WeakPolarHBondContact O-CB 3.42Å; T118-L122 WeakPolarHBondContact O-CD1 3.3Å; T118-L122 VanDerWaalsContact O-CG 3.29Å; T118-L122 WeakPolarHBondContact O-CG 3.25Å; T118-L122 PolarHBondContact O-N 3.4Å |
| 119 | V | 55.1 | Low | 52.1 | Low | 82 Ų | 82 | 101.1 Ų | 101.1 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 174.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | E115 L122 N123 | E115-V119 WeakPolarHBondContact O-CB 3.5Å; E115-V119 WeakPolarHBondContact O-CG2 3.18Å; E115-V119 PolarHBondContact O-N 3.28Å; V119-L122 PolarHBondContact O-N 3.34Å; V119-N123 PolarHBondContact O-N 2.96Å |
| 120 | K | 53.6 | Low | 51.8 | Low | 150 Ų | 150 | 100.4 Ų | 100.4 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -48.2 | 171.9 | -84.3 | -176.2 | 174.2 | -178.7 | 0 | 111.9 | E116 L122 N123 D124 | E116-K120 WeakPolarHBondContact O-CB 3.32Å; E116-K120 PolarHBondContact O-N 3.4Å; K120-L122 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 2.96Å; K120-N123 PolarHBondContact O-N 3.25Å; K120-D124 WeakPolarHBondContact O-CB 3.24Å; K120-D124 VanDerWaalsContact O-CG 3.24Å; K120-D124 PolarHBondContact O-N 3.02Å |
| 121 | R | 48.7 | Very low | 51.6 | Low | 184 Ų | 184 | 98 Ų | 98 | 69% | 0.694 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.2 | -31.8 | 176.9 | -80.4 | 179.7 | 169.3 | -175.7 | -1.2 | 113.6 | S117 T118 K125 | S117-R121 VanDerWaalsContact O-CB 3.31Å; S117-R121 WeakPolarHBondContact O-CB 3.5Å; S117-R121 WeakPolarHBondContact O-CG 3.47Å; S117-R121 PolarHBondContact O-N 3.14Å; T118-R121 PolarHBondContact O-N 3.45Å; R121-K125 VanDerWaalsContact O-CB 3.32Å; R121-K125 WeakPolarHBondContact O-CB 3.42Å; R121-K125 WeakPolarHBondContact O-CG 3.4Å; R121-K125 PolarHBondContact O-N 3.23Å; R121-K125 VanDerWaalsContact O-N 3.14Å |
| 122 | L | 50.4 | Low | 51.2 | Low | 95 Ų | 95 | 101.5 Ų | 101.5 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.5 | -40.8 | 174.7 | -83.2 | 162.2 | 0 | 0 | 0 | 111.1 | T118 V119 K120 K125 Q126 | T118-L122 HydrophobicContact CG2-CD1 4Å; T118-L122 VanDerWaalsContact O-CB 3.26Å; T118-L122 WeakPolarHBondContact O-CB 3.42Å; T118-L122 WeakPolarHBondContact O-CD1 3.3Å; T118-L122 VanDerWaalsContact O-CG 3.29Å; T118-L122 WeakPolarHBondContact O-CG 3.25Å; T118-L122 PolarHBondContact O-N 3.4Å; V119-L122 PolarHBondContact O-N 3.34Å; K120-L122 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 2.96Å; L122-K125 PolarHBondContact O-N 3Å; L122-Q126 WeakPolarHBondContact O-CB 3.4Å; L122-Q126 VanDerWaalsContact O-CG 3.32Å; L122-Q126 WeakPolarHBondContact O-CG 3.27Å; L122-Q126 PolarHBondContact O-N 3.45Å |
| 123 | N | 49.7 | Very low | 51.3 | Low | 81 Ų | 81 | 103.3 Ų | 103.3 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 174.3 | -77.9 | -7.1 | 0 | 0 | 0 | 111.6 | V119 K120 K125 Q126 E127 | V119-N123 PolarHBondContact O-N 2.96Å; K120-N123 PolarHBondContact O-N 3.25Å; N123-K125 PolarHBondContact O-N 2.97Å; N123-Q126 PolarHBondContact O-N 3.48Å; N123-Q126 VanDerWaalsContact O-N 3.07Å; N123-E127 WeakPolarHBondContact O-CG 3.37Å; N123-E127 PolarHBondContact O-N 3.03Å |
| 124 | D | 46.9 | Very low | 51.7 | Low | 106 Ų | 106 | 105.9 Ų | 105.9 | 57% | 0.567 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63 | -27.2 | 178.3 | -67.5 | -14.7 | 0 | 0 | 0 | 112.6 | K120 P128 | K120-D124 WeakPolarHBondContact O-CB 3.24Å; K120-D124 VanDerWaalsContact O-CG 3.24Å; K120-D124 PolarHBondContact O-N 3.02Å; D124-P128 WeakPolarHBondContact O-CD 3.45Å |
| 125 | K | 47.7 | Very low | 52.6 | Low | 159 Ų | 159 | 105.8 Ų | 105.8 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -89.5 | -24.7 | 173.4 | -74.7 | -176.3 | 176.9 | -173.2 | 0 | 113.7 | R121 L122 N123 P128 | R121-K125 VanDerWaalsContact O-CB 3.32Å; R121-K125 WeakPolarHBondContact O-CB 3.42Å; R121-K125 WeakPolarHBondContact O-CG 3.4Å; R121-K125 PolarHBondContact O-N 3.23Å; R121-K125 VanDerWaalsContact O-N 3.14Å; L122-K125 PolarHBondContact O-N 3Å; N123-K125 PolarHBondContact O-N 2.97Å; K125-P128 WeakPolarHBondContact O-CD 3.41Å; K125-P128 WeakPolarHBondContact O-CG 3.46Å |
| 126 | Q | 47.8 | Very low | 53.5 | Low | 59 Ų | 59 | 102.1 Ų | 102.1 | 28% | 0.276 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.1 | -37.1 | 175.4 | -87.3 | -173.5 | -33.9 | 0 | 0 | 111.9 | L122 N123 M129 Y130 | L122-Q126 WeakPolarHBondContact O-CB 3.4Å; L122-Q126 VanDerWaalsContact O-CG 3.32Å; L122-Q126 WeakPolarHBondContact O-CG 3.27Å; L122-Q126 PolarHBondContact O-N 3.45Å; N123-Q126 PolarHBondContact O-N 3.48Å; N123-Q126 VanDerWaalsContact O-N 3.07Å; Q126-M129 PolarHBondContact O-N 2.99Å; Q126-Y130 HydrophobicContact CB-CD2 3.87Å; Q126-Y130 HydrophobicContact CB-CE2 3.73Å; Q126-Y130 HydrophobicContact CG-CD2 4.24Å; Q126-Y130 HydrophobicContact CG-CE2 3.6Å; Q126-Y130 PolarHBondContact NE2-OH 3.4Å; Q126-Y130 WeakPolarHBondContact O-CD2 3.39Å; Q126-Y130 PolarHBondContact O-N 3.32Å |
| 127 | E | 45.9 | Very low | 54.3 | Low | 121 Ų | 121 | 98.8 Ų | 98.8 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -53 | -46.3 | 177.6 | -77.8 | -172.6 | 172.8 | 0 | 0 | 114.2 | N123 T131 | N123-E127 WeakPolarHBondContact O-CG 3.37Å; N123-E127 PolarHBondContact O-N 3.03Å; E127-T131 PolarHBondContact O-OG1 2.94Å |
| 128 | P | 48.7 | Very low | 55 | Low | 79 Ų | 79 | 100.9 Ų | 100.9 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.3 | -22.6 | 175.8 | 27.4 | -34.4 | 0 | 0 | 0 | 113.7 | D124 K125 T131 | D124-P128 WeakPolarHBondContact O-CD 3.45Å; K125-P128 WeakPolarHBondContact O-CD 3.41Å; K125-P128 WeakPolarHBondContact O-CG 3.46Å; P128-T131 PolarHBondContact O-OG1 2.81Å |
| 129 | M | 43.8 | Very low | 56.1 | Low | 141 Ų | 141 | 103.7 Ų | 103.7 | 70% | 0.695 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -84.8 | -29.5 | -175.3 | -130.3 | -177.9 | 174.7 | 0 | 0 | 113.1 | Q126 | Q126-M129 PolarHBondContact O-N 2.99Å |
| 130 | Y | 48.3 | Very low | 57.1 | Low | 99 Ų | 99 | 103 Ų | 103 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -84.3 | -29.8 | 177.4 | -74.3 | -69.6 | 0 | 0 | 0 | 113.8 | Q126 | Q126-Y130 HydrophobicContact CB-CD2 3.87Å; Q126-Y130 HydrophobicContact CB-CE2 3.73Å; Q126-Y130 HydrophobicContact CG-CD2 4.24Å; Q126-Y130 HydrophobicContact CG-CE2 3.6Å; Q126-Y130 PolarHBondContact NE2-OH 3.4Å; Q126-Y130 WeakPolarHBondContact O-CD2 3.39Å; Q126-Y130 PolarHBondContact O-N 3.32Å |
| 131 | T | 51.7 | Low | 58 | Low | 29 Ų | 29 | 96.4 Ų | 96.4 | 18% | 0.178 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -71.9 | -32 | 174.5 | 31.5 | 0 | 0 | 0 | 0 | 112.5 | E127 P128 N133 H138 I141 | E127-T131 PolarHBondContact O-OG1 2.94Å; P128-T131 PolarHBondContact O-OG1 2.81Å; T131-N133 VanDerWaalsContact C-N 3.33Å; T131-N133 PolarHBondContact O-N 3.37Å; T131-H138 HydrophobicContact CG2-CB 4.2Å; T131-I141 HydrophobicContact CG2-CD1 4.42Å |
| 132 | H | 51.9 | Low | 59.2 | Low | 161 Ų | 161 | 89.5 Ų | 89.5 | 75% | 0.745 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.9 | -29.7 | 178 | -163.5 | 57.3 | 0 | 0 | 0 | 113.4 | ||
| 133 | N | 58.3 | Low | 60.6 | Low | 115 Ų | 115 | 88.3 Ų | 88.3 | 62% | 0.615 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6.6 | -176.2 | -71.3 | -11.3 | 0 | 0 | 0 | 114.4 | T131 | T131-N133 VanDerWaalsContact C-N 3.33Å; T131-N133 PolarHBondContact O-N 3.37Å |
| 134 | N | 64.7 | Low | 61.9 | Low | 91 Ų | 91 | 85.8 Ų | 85.8 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | trans | -140.1 | 87.7 | 177.3 | -77.7 | -48.9 | 0 | 0 | 0 | 110.4 | G136 L137 H138 | N134-G136 PolarHBondContact O-N 3.11Å; N134-G136 VanDerWaalsContact O-N 3.14Å; N134-L137 HydrophobicContact CB-CB 3.76Å; N134-L137 PolarHBondContact O-N 3.32Å; N134-H138 PolarHBondContact O-N 2.91Å; N134-H138 VanDerWaalsContact O-N 3.08Å | ||
| 135 | P | 72.7 | Confident | 63.3 | Low | 106 Ų | 106 | 85.4 Ų | 85.4 | 69% | 0.688 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59 | -31.9 | -177.1 | 23.1 | -33.5 | 0 | 0 | 0 | 112.6 | F139 | P135-F139 WeakPolarHBondContact O-CB 3.43Å; P135-F139 PolarHBondContact O-N 3.29Å |
| 136 | G | 75.9 | Confident | 64.8 | Low | 48 Ų | 48 | 82.2 Ų | 82.2 | 50% | 0.495 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N134 F139 V140 | N134-G136 PolarHBondContact O-N 3.11Å; N134-G136 VanDerWaalsContact O-N 3.14Å; G136-F139 PolarHBondContact O-N 3.49Å; G136-V140 VanDerWaalsContact O-CG2 3.29Å; G136-V140 WeakPolarHBondContact O-CG2 3.31Å; G136-V140 PolarHBondContact O-N 2.92Å |
| 137 | L | 71.1 | Confident | 66.4 | Low | 48 Ų | 48 | 82.4 Ų | 82.4 | 25% | 0.251 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.4 | -43.1 | 177.3 | -176 | 67.6 | 0 | 0 | 0 | 110.8 | N134 F139 V140 I141 L328 | N134-L137 HydrophobicContact CB-CB 3.76Å; N134-L137 PolarHBondContact O-N 3.32Å; L137-F139 VanDerWaalsContact C-N 3.32Å; L137-F139 PolarHBondContact O-N 2.93Å; L137-V140 PolarHBondContact O-N 3.46Å; L137-I141 HydrophobicContact CD1-CD1 4.36Å; L137-I141 HydrophobicContact CG-CD1 3.95Å; L137-I141 WeakPolarHBondContact O-CG1 3.5Å; L137-I141 PolarHBondContact O-N 3.42Å; L137-L328 HydrophobicContact CD1-CB 4.44Å; L137-L328 HydrophobicContact CD1-CD2 4.23Å |
| 138 | H | 69.3 | Low | 67.8 | Low | 92 Ų | 92 | 78.8 Ų | 78.8 | 43% | 0.426 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 174.3 | -179.4 | -90.8 | 0 | 0 | 0 | 111.2 | T131 N134 V140 I141 S142 | T131-H138 HydrophobicContact CG2-CB 4.2Å; N134-H138 PolarHBondContact O-N 2.91Å; N134-H138 VanDerWaalsContact O-N 3.08Å; H138-V140 PolarHBondContact O-N 3.27Å; H138-I141 PolarHBondContact O-N 2.84Å; H138-S142 WeakPolarHBondContact O-CB 3.35Å; H138-S142 PolarHBondContact O-N 2.94Å; H138-S142 PolarHBondContact O-OG 3.21Å; H138-S142 VanDerWaalsContact O-OG 3.06Å |
| 139 | F | 75.6 | Confident | 69.4 | Low | 131 Ų | 131 | 80.5 Ų | 80.5 | 58% | 0.575 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.8 | -44.9 | 175.1 | 179.4 | -105.1 | 0 | 0 | 0 | 112.8 | P135 G136 L137 S142 I143 | P135-F139 WeakPolarHBondContact O-CB 3.43Å; P135-F139 PolarHBondContact O-N 3.29Å; G136-F139 PolarHBondContact O-N 3.49Å; L137-F139 VanDerWaalsContact C-N 3.32Å; L137-F139 PolarHBondContact O-N 2.93Å; F139-S142 PolarHBondContact O-N 3.31Å; F139-I143 HydrophobicContact CD1-CD1 3.77Å; F139-I143 HydrophobicContact CD2-CD1 4.34Å; F139-I143 HydrophobicContact CE1-CD1 3.21Å; F139-I143 HydrophobicContact CE1-CG1 4.36Å; F139-I143 HydrophobicContact CE2-CD1 3.86Å; F139-I143 HydrophobicContact CE2-CG1 4.38Å; F139-I143 HydrophobicContact CG-CD1 4.32Å; F139-I143 HydrophobicContact CZ-CD1 3.29Å; F139-I143 HydrophobicContact CZ-CG1 4.27Å; F139-I143 WeakPolarHBondContact O-CB 3.27Å; F139-I143 WeakPolarHBondContact O-CG1 3.38Å; F139-I143 PolarHBondContact O-N 2.83Å |
| 140 | V | 75.7 | Confident | 71.3 | Confident | 68 Ų | 68 | 77.6 Ų | 77.6 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 178.2 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | G136 L137 H138 I143 H144 L328 | G136-V140 VanDerWaalsContact O-CG2 3.29Å; G136-V140 WeakPolarHBondContact O-CG2 3.31Å; G136-V140 PolarHBondContact O-N 2.92Å; L137-V140 PolarHBondContact O-N 3.46Å; H138-V140 PolarHBondContact O-N 3.27Å; V140-I143 PolarHBondContact O-N 3.4Å; V140-H144 WeakPolarHBondContact O-CB 3.48Å; V140-H144 PolarHBondContact O-N 2.94Å; V140-L328 HydrophobicContact CG1-CD1 4.5Å |
| 141 | I | 72.5 | Confident | 72.8 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 6% | 0.056 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -47.9 | 177.2 | -66.9 | 168.8 | 0 | 0 | 0 | 110.3 | T131 L137 H138 I143 H144 E145 T325 | T131-I141 HydrophobicContact CG2-CD1 4.42Å; L137-I141 HydrophobicContact CD1-CD1 4.36Å; L137-I141 HydrophobicContact CG-CD1 3.95Å; L137-I141 WeakPolarHBondContact O-CG1 3.5Å; L137-I141 PolarHBondContact O-N 3.42Å; H138-I141 PolarHBondContact O-N 2.84Å; I141-I143 VanDerWaalsContact C-N 3.31Å; I141-I143 PolarHBondContact O-N 3.39Å; I141-H144 WeakPolarHBondContact O-CB 3.37Å; I141-H144 PolarHBondContact O-N 2.9Å; I141-E145 HydrophobicContact CG2-CG 4.4Å; I141-E145 WeakPolarHBondContact O-CG 3.39Å; I141-E145 PolarHBondContact O-N 2.89Å; I141-T325 HydrophobicContact CG2-CG2 4.4Å |
| 142 | S | 74.9 | Confident | 74.2 | Confident | 39 Ų | 39 | 76.1 Ų | 76.1 | 27% | 0.273 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | H138 F139 T146 | H138-S142 WeakPolarHBondContact O-CB 3.35Å; H138-S142 PolarHBondContact O-N 2.94Å; H138-S142 PolarHBondContact O-OG 3.21Å; H138-S142 VanDerWaalsContact O-OG 3.06Å; F139-S142 PolarHBondContact O-N 3.31Å; S142-T146 WeakPolarHBondContact O-CB 3.33Å; S142-T146 PolarHBondContact O-N 2.89Å; S142-T146 PolarHBondContact O-OG1 2.95Å |
| 143 | I | 80.1 | Confident | 75.8 | Confident | 71 Ų | 71 | 72 Ų | 72 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 173 | -77.1 | 179.1 | 0 | 0 | 0 | 110.4 | F139 V140 I141 T146 L147 | F139-I143 HydrophobicContact CD1-CD1 3.77Å; F139-I143 HydrophobicContact CD2-CD1 4.34Å; F139-I143 HydrophobicContact CE1-CD1 3.21Å; F139-I143 HydrophobicContact CE1-CG1 4.36Å; F139-I143 HydrophobicContact CE2-CD1 3.86Å; F139-I143 HydrophobicContact CE2-CG1 4.38Å; F139-I143 HydrophobicContact CG-CD1 4.32Å; F139-I143 HydrophobicContact CZ-CD1 3.29Å; F139-I143 HydrophobicContact CZ-CG1 4.27Å; F139-I143 WeakPolarHBondContact O-CB 3.27Å; F139-I143 WeakPolarHBondContact O-CG1 3.38Å; F139-I143 PolarHBondContact O-N 2.83Å; V140-I143 PolarHBondContact O-N 3.4Å; I141-I143 VanDerWaalsContact C-N 3.31Å; I141-I143 PolarHBondContact O-N 3.39Å; I143-T146 PolarHBondContact O-N 3.18Å; I143-L147 HydrophobicContact CG2-CD1 3.68Å; I143-L147 HydrophobicContact CG2-CG 4.08Å; I143-L147 WeakPolarHBondContact O-CB 3.18Å; I143-L147 VanDerWaalsContact O-CG 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.13Å; I143-L147 PolarHBondContact O-N 3.32Å |
| 144 | H | 77 | Confident | 77.2 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 13% | 0.125 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.9 | -44 | -178 | -176.4 | 65.9 | 0 | 0 | 0 | 112.2 | V140 I141 T146 L147 Q148 D322 L324 T325 | V140-H144 WeakPolarHBondContact O-CB 3.48Å; V140-H144 PolarHBondContact O-N 2.94Å; I141-H144 WeakPolarHBondContact O-CB 3.37Å; I141-H144 PolarHBondContact O-N 2.9Å; H144-T146 VanDerWaalsContact C-N 3.33Å; H144-T146 PolarHBondContact O-N 2.64Å; H144-L147 PolarHBondContact O-N 3.12Å; H144-Q148 PolarHBondContact NE2-NE2 3.48Å; H144-Q148 WeakPolarHBondContact O-CG 3.49Å; H144-Q148 PolarHBondContact O-N 2.96Å; H144-D322 IonicContact CD2-OD2 3Å; H144-D322 PolarHBondContact CD2-OD2 2.99Å; H144-D322 IonicContact CE1-OD2 3.96Å; H144-D322 IonicContact NE2-OD1 3.4Å; H144-D322 PolarHBondContact NE2-OD1 3.23Å; H144-D322 IonicContact NE2-OD2 2.67Å; H144-D322 PolarHBondContact NE2-OD2 2.95Å; H144-L324 WeakPolarHBondContact CE1-CD2 3.49Å; H144-T325 PolarHBondContact CD2-OG1 3Å |
| 145 | E | 75 | Confident | 78.3 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 46% | 0.458 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 172.5 | -71.8 | 178.4 | 173.5 | 0 | 0 | 111.6 | I141 L147 Q148 I149 | I141-E145 HydrophobicContact CG2-CG 4.4Å; I141-E145 WeakPolarHBondContact O-CG 3.39Å; I141-E145 PolarHBondContact O-N 2.89Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 3.14Å; E145-Q148 WeakPolarHBondContact O-CB 3.25Å; E145-Q148 PolarHBondContact O-N 3.5Å; E145-I149 WeakPolarHBondContact O-CG1 3.27Å; E145-I149 PolarHBondContact O-N 3.26Å |
| 146 | T | 80.1 | Confident | 79 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 56% | 0.564 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 176.7 | -55 | 0 | 0 | 0 | 0 | 111.3 | S142 I143 H144 Q148 I149 L150 | S142-T146 WeakPolarHBondContact O-CB 3.33Å; S142-T146 PolarHBondContact O-N 2.89Å; S142-T146 PolarHBondContact O-OG1 2.95Å; I143-T146 PolarHBondContact O-N 3.18Å; H144-T146 VanDerWaalsContact C-N 3.33Å; H144-T146 PolarHBondContact O-N 2.64Å; T146-Q148 VanDerWaalsContact C-N 3.3Å; T146-Q148 PolarHBondContact O-N 2.74Å; T146-I149 PolarHBondContact O-N 3.46Å; T146-L150 WeakPolarHBondContact O-CB 3.32Å; T146-L150 PolarHBondContact O-N 3.38Å |
| 147 | L | 80.8 | Confident | 79.8 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 33% | 0.33 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.9 | -33.7 | 176.3 | -75 | 175.5 | 0 | 0 | 0 | 111.8 | I143 H144 E145 L150 T151 F220 | I143-L147 HydrophobicContact CG2-CD1 3.68Å; I143-L147 HydrophobicContact CG2-CG 4.08Å; I143-L147 WeakPolarHBondContact O-CB 3.18Å; I143-L147 VanDerWaalsContact O-CG 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.13Å; I143-L147 PolarHBondContact O-N 3.32Å; H144-L147 PolarHBondContact O-N 3.12Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 3.14Å; L147-L150 HydrophobicContact CD2-CD2 4.34Å; L147-L150 PolarHBondContact O-N 3.08Å; L147-T151 VanDerWaalsContact O-CB 3.31Å; L147-T151 WeakPolarHBondContact O-CB 3.49Å; L147-T151 PolarHBondContact O-N 2.84Å; L147-T151 PolarHBondContact O-OG1 2.9Å; L147-F220 HydrophobicContact CB-CE1 4.5Å; L147-F220 HydrophobicContact CD2-CE1 4.05Å; L147-F220 HydrophobicContact CD2-CZ 4.49Å |
| 148 | Q | 76.3 | Confident | 80.9 | Confident | 45 Ų | 45 | 63 Ų | 63 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.3 | -45.3 | 174.3 | -76.2 | -176.1 | 3.6 | 0 | 0 | 112.4 | H144 E145 T146 L150 T151 F152 D322 | H144-Q148 PolarHBondContact NE2-NE2 3.48Å; H144-Q148 WeakPolarHBondContact O-CG 3.49Å; H144-Q148 PolarHBondContact O-N 2.96Å; E145-Q148 WeakPolarHBondContact O-CB 3.25Å; E145-Q148 PolarHBondContact O-N 3.5Å; T146-Q148 VanDerWaalsContact C-N 3.3Å; T146-Q148 PolarHBondContact O-N 2.74Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 PolarHBondContact O-N 3.5Å; Q148-T151 PolarHBondContact O-N 3.09Å; Q148-F152 WeakPolarHBondContact O-CB 3.5Å; Q148-F152 PolarHBondContact O-N 3.34Å; Q148-D322 PolarHBondContact NE2-OD1 3.05Å; Q148-D322 PolarHBondContact NE2-OD2 3.37Å |
| 149 | I | 81 | Confident | 81.9 | Confident | 116 Ų | 116 | 58.9 Ų | 58.9 | 60% | 0.595 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61 | -44.6 | 175.2 | -64.5 | 167.2 | 0 | 0 | 0 | 109.5 | E145 T146 T151 F152 T153 | E145-I149 WeakPolarHBondContact O-CG1 3.27Å; E145-I149 PolarHBondContact O-N 3.26Å; T146-I149 PolarHBondContact O-N 3.46Å; I149-T151 VanDerWaalsContact C-N 3.34Å; I149-T151 PolarHBondContact O-N 2.9Å; I149-F152 PolarHBondContact O-N 2.91Å; I149-T153 WeakPolarHBondContact O-CG2 3.48Å; I149-T153 PolarHBondContact O-N 3.19Å; I149-T153 PolarHBondContact O-OG1 3.42Å |
| 150 | L | 84.1 | Confident | 82.8 | Confident | 80 Ų | 80 | 54.3 Ų | 54.3 | 42% | 0.419 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 175.2 | -178.8 | 63.6 | 0 | 0 | 0 | 111.9 | T146 L147 Q148 F152 T153 L154 | T146-L150 WeakPolarHBondContact O-CB 3.32Å; T146-L150 PolarHBondContact O-N 3.38Å; L147-L150 HydrophobicContact CD2-CD2 4.34Å; L147-L150 PolarHBondContact O-N 3.08Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 PolarHBondContact O-N 3.5Å; L150-F152 VanDerWaalsContact C-N 3.34Å; L150-F152 PolarHBondContact O-N 3.41Å; L150-T153 WeakPolarHBondContact CA-OG1 3.38Å; L150-T153 PolarHBondContact O-N 3.26Å; L150-T153 PolarHBondContact O-OG1 3.38Å; L150-L154 HydrophobicContact CD1-CD1 4.28Å; L150-L154 HydrophobicContact CD1-CG 4.26Å; L150-L154 HydrophobicContact CG-CD1 3.96Å; L150-L154 HydrophobicContact CG-CG 4.38Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 VanDerWaalsContact O-CG 3.22Å; L150-L154 WeakPolarHBondContact O-CG 3.31Å; L150-L154 PolarHBondContact O-N 2.88Å |
| 151 | T | 80 | Confident | 83.7 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 10% | 0.104 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 177.9 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | L147 Q148 I149 T153 L154 F155 F220 | L147-T151 VanDerWaalsContact O-CB 3.31Å; L147-T151 WeakPolarHBondContact O-CB 3.49Å; L147-T151 PolarHBondContact O-N 2.84Å; L147-T151 PolarHBondContact O-OG1 2.9Å; Q148-T151 PolarHBondContact O-N 3.09Å; I149-T151 VanDerWaalsContact C-N 3.34Å; I149-T151 PolarHBondContact O-N 2.9Å; T151-T153 PolarHBondContact O-N 3.17Å; T151-L154 PolarHBondContact O-N 3.37Å; T151-F155 VanDerWaalsContact O-CB 3.31Å; T151-F155 WeakPolarHBondContact O-CB 3.38Å; T151-F155 PolarHBondContact O-N 2.95Å; T151-F220 HydrophobicContact CG2-CB 3.38Å; T151-F220 HydrophobicContact CG2-CD2 4.29Å; T151-F220 HydrophobicContact CG2-CG 4.02Å; T151-F220 VanDerWaalsContact OG1-CB 3.24Å; T151-F220 WeakPolarHBondContact OG1-CB 3.15Å; T151-F220 WeakPolarHBondContact OG1-CD1 3.48Å; T151-F220 WeakPolarHBondContact OG1-CG 3.37Å |
| 152 | F | 81.3 | Confident | 84.6 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 35% | 0.346 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 179 | -177.6 | -104.7 | 0 | 0 | 0 | 112 | Q148 I149 L150 F155 G156 W311 V314 A315 | Q148-F152 WeakPolarHBondContact O-CB 3.5Å; Q148-F152 PolarHBondContact O-N 3.34Å; I149-F152 PolarHBondContact O-N 2.91Å; L150-F152 VanDerWaalsContact C-N 3.34Å; L150-F152 PolarHBondContact O-N 3.41Å; F152-F155 PolarHBondContact O-N 2.79Å; F152-G156 PolarHBondContact O-N 2.98Å; F152-W311 AromaticContact CE2-CD1 3.92Å; F152-W311 AromaticContact CE2-NE1 3.59Å; F152-W311 AromaticContact CZ-NE1 3.58Å; F152-V314 HydrophobicContact CD2-CG1 4.05Å; F152-A315 HydrophobicContact CE2-CB 3.58Å; F152-A315 HydrophobicContact CZ-CB 3.69Å |
| 153 | T | 85.7 | Confident | 85.5 | Confident | 76 Ų | 76 | 54.9 Ų | 54.9 | 47% | 0.466 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 176.4 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | I149 L150 T151 F155 G156 L157 | I149-T153 WeakPolarHBondContact O-CG2 3.48Å; I149-T153 PolarHBondContact O-N 3.19Å; I149-T153 PolarHBondContact O-OG1 3.42Å; L150-T153 WeakPolarHBondContact CA-OG1 3.38Å; L150-T153 PolarHBondContact O-N 3.26Å; L150-T153 PolarHBondContact O-OG1 3.38Å; T151-T153 PolarHBondContact O-N 3.17Å; T153-F155 VanDerWaalsContact C-N 3.31Å; T153-F155 PolarHBondContact O-N 3.12Å; T153-G156 PolarHBondContact O-N 3.43Å; T153-L157 WeakPolarHBondContact O-CB 3.28Å; T153-L157 PolarHBondContact O-N 3.45Å |
| 154 | L | 87.6 | Confident | 86.2 | Confident | 62 Ų | 62 | 56.1 Ų | 56.1 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 172.8 | -73.2 | 172.6 | 0 | 0 | 0 | 111.8 | L150 T151 L157 L158 I217 | L150-L154 HydrophobicContact CD1-CD1 4.28Å; L150-L154 HydrophobicContact CD1-CG 4.26Å; L150-L154 HydrophobicContact CG-CD1 3.96Å; L150-L154 HydrophobicContact CG-CG 4.38Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 VanDerWaalsContact O-CG 3.22Å; L150-L154 WeakPolarHBondContact O-CG 3.31Å; L150-L154 PolarHBondContact O-N 2.88Å; T151-L154 PolarHBondContact O-N 3.37Å; L154-L157 PolarHBondContact O-N 2.93Å; L154-L158 WeakPolarHBondContact O-CB 3.42Å; L154-L158 PolarHBondContact O-N 3.27Å; L154-I217 HydrophobicContact CB-CD1 4.48Å; L154-I217 HydrophobicContact CB-CG1 4.41Å |
| 155 | F | 87.4 | Confident | 87 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 175.8 | -155 | -63.5 | 0 | 0 | 0 | 111.1 | T151 F152 T153 L157 L158 A159 I217 Y251 I307 T310 W311 | T151-F155 VanDerWaalsContact O-CB 3.31Å; T151-F155 WeakPolarHBondContact O-CB 3.38Å; T151-F155 PolarHBondContact O-N 2.95Å; F152-F155 PolarHBondContact O-N 2.79Å; T153-F155 VanDerWaalsContact C-N 3.31Å; T153-F155 PolarHBondContact O-N 3.12Å; F155-L157 VanDerWaalsContact C-N 3.32Å; F155-L157 PolarHBondContact O-N 3.42Å; F155-L158 PolarHBondContact O-N 3.33Å; F155-A159 WeakPolarHBondContact O-CB 3.45Å; F155-A159 PolarHBondContact O-N 3.25Å; F155-I217 HydrophobicContact CD2-CG2 3.28Å; F155-I217 HydrophobicContact CE2-CG2 3.5Å; F155-I217 HydrophobicContact CG-CG2 4.34Å; F155-Y251 HydrophobicContact CE2-CD2 4.34Å; F155-I307 HydrophobicContact CE1-CG2 3.96Å; F155-I307 VanDerWaalsContact CE1-O 3.25Å; F155-I307 WeakPolarHBondContact CE1-O 3.38Å; F155-I307 HydrophobicContact CZ-CG2 4.44Å; F155-T310 HydrophobicContact CE1-CG2 4.05Å; F155-T310 HydrophobicContact CE2-CG2 3.59Å; F155-T310 VanDerWaalsContact CZ-CB 3.46Å; F155-T310 HydrophobicContact CZ-CG2 3.21Å; F155-W311 HydrophobicContact CD1-CB 3.38Å; F155-W311 AromaticContact CD1-CD1 3.62Å; F155-W311 AromaticContact CD1-CG 3.8Å; F155-W311 HydrophobicContact CD1-CG 3.8Å; F155-W311 VanDerWaalsContact CE1-CA 3.48Å; F155-W311 HydrophobicContact CE1-CB 3.49Å; F155-W311 VanDerWaalsContact CE1-CB 3.49Å; F155-W311 HydrophobicContact CE1-CG 4.4Å; F155-W311 VanDerWaalsContact CE1-N 3.3Å |
| 156 | G | 88.7 | Confident | 87.9 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F152 T153 A159 G160 W311 | F152-G156 PolarHBondContact O-N 2.98Å; T153-G156 PolarHBondContact O-N 3.43Å; G156-A159 PolarHBondContact O-N 3.35Å; G156-G160 PolarHBondContact O-N 2.82Å; G156-W311 VanDerWaalsContact CA-NE1 3.34Å |
| 157 | L | 92.6 | Very high | 88.5 | Confident | 124 Ų | 124 | 53 Ų | 53 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 174.8 | -174 | 68.9 | 0 | 0 | 0 | 111.4 | T153 L154 F155 G160 A161 | T153-L157 WeakPolarHBondContact O-CB 3.28Å; T153-L157 PolarHBondContact O-N 3.45Å; L154-L157 PolarHBondContact O-N 2.93Å; F155-L157 VanDerWaalsContact C-N 3.32Å; F155-L157 PolarHBondContact O-N 3.42Å; L157-G160 PolarHBondContact O-N 3.37Å; L157-A161 VanDerWaalsContact O-CB 3.3Å; L157-A161 WeakPolarHBondContact O-CB 3.39Å; L157-A161 PolarHBondContact O-N 2.86Å |
| 158 | L | 92.3 | Very high | 89 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 176 | -179.2 | 64.2 | 0 | 0 | 0 | 111.6 | L154 F155 A161 S162 F210 L214 I217 I307 | L154-L158 WeakPolarHBondContact O-CB 3.42Å; L154-L158 PolarHBondContact O-N 3.27Å; F155-L158 PolarHBondContact O-N 3.33Å; L158-A161 PolarHBondContact O-N 3.39Å; L158-S162 VanDerWaalsContact O-CB 3.31Å; L158-S162 WeakPolarHBondContact O-CB 3.38Å; L158-S162 PolarHBondContact O-N 3Å; L158-F210 HydrophobicContact CD1-CD1 3.71Å; L158-F210 HydrophobicContact CD1-CE1 3.8Å; L158-L214 HydrophobicContact CD2-CD2 3.75Å; L158-L214 HydrophobicContact CD2-CG 4.04Å; L158-I217 HydrophobicContact CB-CD1 3.91Å; L158-I217 HydrophobicContact CD2-CD1 3.54Å; L158-I217 HydrophobicContact CG-CD1 4.33Å; L158-I307 HydrophobicContact CG-CG2 4.35Å |
| 159 | A | 91.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | F155 G156 S162 L163 I307 I308 W311 | F155-A159 WeakPolarHBondContact O-CB 3.45Å; F155-A159 PolarHBondContact O-N 3.25Å; G156-A159 PolarHBondContact O-N 3.35Å; A159-S162 PolarHBondContact O-N 3.16Å; A159-L163 WeakPolarHBondContact O-CB 3.42Å; A159-L163 PolarHBondContact O-N 3.33Å; A159-I307 HydrophobicContact CB-CG2 3.93Å; A159-I308 HydrophobicContact CB-CG1 4.3Å; A159-W311 HydrophobicContact CB-CB 4.21Å; A159-W311 HydrophobicContact CB-CD2 4.43Å; A159-W311 HydrophobicContact CB-CG 4.31Å |
| 160 | G | 93.7 | Very high | 89.9 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | G156 L157 S162 L163 V164 | G156-G160 PolarHBondContact O-N 2.82Å; L157-G160 PolarHBondContact O-N 3.37Å; G160-S162 VanDerWaalsContact C-N 3.34Å; G160-S162 PolarHBondContact O-N 2.93Å; G160-L163 PolarHBondContact O-N 3.42Å; G160-V164 WeakPolarHBondContact O-CG2 3.42Å; G160-V164 PolarHBondContact O-N 3.36Å |
| 161 | A | 93.8 | Very high | 90 | Very high | 48 Ų | 48 | 50.6 Ų | 50.6 | 40% | 0.397 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L157 L158 V164 H165 | L157-A161 VanDerWaalsContact O-CB 3.3Å; L157-A161 WeakPolarHBondContact O-CB 3.39Å; L157-A161 PolarHBondContact O-N 2.86Å; L158-A161 PolarHBondContact O-N 3.39Å; A161-V164 PolarHBondContact O-N 3.45Å; A161-H165 VanDerWaalsContact O-CB 3.23Å; A161-H165 WeakPolarHBondContact O-CB 3.36Å; A161-H165 PolarHBondContact O-N 3.43Å |
| 162 | S | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.2 | -157 | 0 | 0 | 0 | 0 | 111.6 | L158 A159 G160 H165 T166 T304 | L158-S162 VanDerWaalsContact O-CB 3.31Å; L158-S162 WeakPolarHBondContact O-CB 3.38Å; L158-S162 PolarHBondContact O-N 3Å; A159-S162 PolarHBondContact O-N 3.16Å; G160-S162 VanDerWaalsContact C-N 3.34Å; G160-S162 PolarHBondContact O-N 2.93Å; S162-H165 WeakPolarHBondContact O-CB 3.35Å; S162-H165 PolarHBondContact O-N 2.96Å; S162-T166 PolarHBondContact O-N 2.65Å; S162-T166 PolarHBondContact O-OG1 3.24Å; S162-T304 PolarHBondContact O-OG1 3.34Å; S162-T304 WeakPolarHBondContact OG-CA 3.27Å; S162-T304 PolarHBondContact OG-OG1 2.82Å |
| 163 | L | 94 | Very high | 90.4 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 44% | 0.435 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 176.8 | -174.4 | 70.4 | 0 | 0 | 0 | 111.6 | A159 G160 H165 T166 L167 T304 I308 | A159-L163 WeakPolarHBondContact O-CB 3.42Å; A159-L163 PolarHBondContact O-N 3.33Å; G160-L163 PolarHBondContact O-N 3.42Å; L163-H165 VanDerWaalsContact C-N 3.28Å; L163-H165 PolarHBondContact O-N 2.86Å; L163-T166 PolarHBondContact O-N 3.29Å; L163-L167 HydrophobicContact CG-CD1 4.28Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 WeakPolarHBondContact O-CG 3.37Å; L163-L167 PolarHBondContact O-N 2.94Å; L163-T304 HydrophobicContact CB-CG2 4.45Å; L163-T304 HydrophobicContact CD1-CG2 4.37Å; L163-I308 HydrophobicContact CD1-CD1 4.12Å |
| 164 | V | 94.7 | Very high | 90.1 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 59% | 0.588 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.6 | -41.1 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | G160 A161 L167 F168 | G160-V164 WeakPolarHBondContact O-CG2 3.42Å; G160-V164 PolarHBondContact O-N 3.36Å; A161-V164 PolarHBondContact O-N 3.45Å; V164-L167 PolarHBondContact O-N 3.41Å; V164-F168 VanDerWaalsContact O-CB 3.25Å; V164-F168 WeakPolarHBondContact O-CB 3.22Å; V164-F168 PolarHBondContact O-N 3.23Å |
| 165 | H | 93.6 | Very high | 89.2 | Confident | 16 Ų | 16 | 45 Ų | 45 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.3 | -51.6 | 175.3 | 179.4 | -90.8 | 0 | 0 | 0 | 112.1 | A161 S162 L163 L167 F168 V169 Y199 F210 D300 R303 | A161-H165 VanDerWaalsContact O-CB 3.23Å; A161-H165 WeakPolarHBondContact O-CB 3.36Å; A161-H165 PolarHBondContact O-N 3.43Å; S162-H165 WeakPolarHBondContact O-CB 3.35Å; S162-H165 PolarHBondContact O-N 2.96Å; L163-H165 VanDerWaalsContact C-N 3.28Å; L163-H165 PolarHBondContact O-N 2.86Å; H165-L167 VanDerWaalsContact C-N 3.32Å; H165-L167 PolarHBondContact O-N 3.12Å; H165-F168 WeakPolarHBondContact O-CB 3.27Å; H165-F168 PolarHBondContact O-N 3.45Å; H165-V169 WeakPolarHBondContact O-CB 3.49Å; H165-V169 VanDerWaalsContact O-CG2 3.32Å; H165-V169 WeakPolarHBondContact O-CG2 3.45Å; H165-V169 PolarHBondContact O-N 2.72Å; H165-Y199 PolarHBondContact CE1-OH 2.83Å; H165-Y199 AromaticContact NE2-CE2 3.31Å; H165-Y199 VanDerWaalsContact NE2-CE2 3.31Å; H165-Y199 WeakPolarHBondContact NE2-CE2 3.3Å; H165-Y199 AromaticContact NE2-CZ 3.43Å; H165-Y199 PolarHBondContact NE2-OH 3.21Å; H165-F210 HydrophobicContact CB-CE2 4.28Å; H165-F210 HydrophobicContact CB-CZ 4.03Å; H165-D300 IonicContact CE1-OD1 3.41Å; H165-D300 PolarHBondContact CE1-OD1 2.71Å; H165-D300 IonicContact ND1-OD1 3.12Å; H165-D300 PolarHBondContact ND1-OD1 3.11Å; H165-D300 VanDerWaalsContact ND1-OD1 3.12Å; H165-D300 IonicContact ND1-OD2 3.73Å; H165-R303 PolarHBondContact ND1-NH2 2.9Å |
| 166 | T | 92.9 | Very high | 88.2 | Confident | 28 Ų | 28 | 52.5 Ų | 52.5 | 17% | 0.172 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.2 | -61 | 0 | 0 | 0 | 0 | 111.9 | S162 L163 Q170 D300 T304 | S162-T166 PolarHBondContact O-N 2.65Å; S162-T166 PolarHBondContact O-OG1 3.24Å; L163-T166 PolarHBondContact O-N 3.29Å; T166-Q170 VanDerWaalsContact O-CB 3.3Å; T166-Q170 WeakPolarHBondContact O-CB 3.37Å; T166-Q170 PolarHBondContact O-N 2.67Å; T166-D300 VanDerWaalsContact CA-OD2 3.27Å; T166-D300 WeakPolarHBondContact CA-OD2 3.23Å; T166-D300 VanDerWaalsContact CB-OD2 3.28Å; T166-D300 WeakPolarHBondContact CB-OD2 3.39Å; T166-D300 WeakPolarHBondContact CG2-OD2 3.18Å; T166-D300 PolarHBondContact OG1-OD2 2.56Å; T166-T304 PolarHBondContact OG1-OG1 3.32Å |
| 167 | L | 92.4 | Very high | 87.2 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 56% | 0.56 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.3 | -41.8 | 175.4 | -71.7 | 174.4 | 0 | 0 | 0 | 112.3 | L163 V164 H165 Q170 S171 | L163-L167 HydrophobicContact CG-CD1 4.28Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 WeakPolarHBondContact O-CG 3.37Å; L163-L167 PolarHBondContact O-N 2.94Å; V164-L167 PolarHBondContact O-N 3.41Å; H165-L167 VanDerWaalsContact C-N 3.32Å; H165-L167 PolarHBondContact O-N 3.12Å; L167-Q170 PolarHBondContact O-N 2.89Å; L167-S171 PolarHBondContact O-N 3.41Å |
| 168 | F | 91 | Very high | 86.2 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 46% | 0.456 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 176.9 | 178.3 | -101.2 | 0 | 0 | 0 | 111 | V164 H165 Q170 S171 L172 Y199 | V164-F168 VanDerWaalsContact O-CB 3.25Å; V164-F168 WeakPolarHBondContact O-CB 3.22Å; V164-F168 PolarHBondContact O-N 3.23Å; H165-F168 WeakPolarHBondContact O-CB 3.27Å; H165-F168 PolarHBondContact O-N 3.45Å; F168-Q170 VanDerWaalsContact C-N 3.32Å; F168-Q170 PolarHBondContact O-N 2.91Å; F168-S171 WeakPolarHBondContact O-CB 3.38Å; F168-S171 PolarHBondContact O-N 2.99Å; F168-S171 VanDerWaalsContact O-N 3.14Å; F168-S171 PolarHBondContact O-OG 3.24Å; F168-L172 HydrophobicContact CD1-CD1 4.14Å; F168-L172 HydrophobicContact CE1-CD1 3.56Å; F168-L172 HydrophobicContact CE1-CG 4.38Å; F168-L172 HydrophobicContact CZ-CD1 3.9Å; F168-L172 HydrophobicContact CZ-CG 4.42Å; F168-L172 PolarHBondContact O-N 3.48Å; F168-L172 VanDerWaalsContact O-N 3.14Å; F168-Y199 HydrophobicContact CD1-CD2 4.49Å; F168-Y199 HydrophobicContact CE1-CD2 4.21Å |
| 169 | V | 89.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 174.6 | 166.8 | 0 | 0 | 0 | 0 | 111.2 | H165 S171 L172 I173 L195 Y199 W296 | H165-V169 WeakPolarHBondContact O-CB 3.49Å; H165-V169 VanDerWaalsContact O-CG2 3.32Å; H165-V169 WeakPolarHBondContact O-CG2 3.45Å; H165-V169 PolarHBondContact O-N 2.72Å; V169-S171 VanDerWaalsContact C-N 3.27Å; V169-S171 PolarHBondContact O-N 3.16Å; V169-L172 PolarHBondContact O-N 3.32Å; V169-L172 VanDerWaalsContact O-N 3.14Å; V169-I173 HydrophobicContact CG1-CD1 3.75Å; V169-I173 HydrophobicContact CG1-CG1 4.5Å; V169-I173 WeakPolarHBondContact O-CG1 3.29Å; V169-I173 PolarHBondContact O-N 2.92Å; V169-L195 HydrophobicContact CG1-CD1 4.03Å; V169-L195 HydrophobicContact CG2-CD1 4.48Å; V169-Y199 HydrophobicContact CG2-CD2 4.48Å; V169-Y199 HydrophobicContact CG2-CE2 4.26Å; V169-W296 HydrophobicContact CB-CH2 4.4Å; V169-W296 HydrophobicContact CG1-CH2 3.75Å; V169-W296 HydrophobicContact CG1-CZ3 3.43Å; V169-W296 VanDerWaalsContact CG1-CZ3 3.43Å; V169-W296 HydrophobicContact CG2-CH2 3.72Å; V169-W296 HydrophobicContact CG2-CZ3 4.3Å |
| 170 | Q | 87.9 | Confident | 84.6 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 38% | 0.379 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62 | -36.1 | 178.2 | -169.8 | 67.2 | 11.6 | 0 | 0 | 112.4 | T166 L167 F168 L172 I173 N174 | T166-Q170 VanDerWaalsContact O-CB 3.3Å; T166-Q170 WeakPolarHBondContact O-CB 3.37Å; T166-Q170 PolarHBondContact O-N 2.67Å; L167-Q170 PolarHBondContact O-N 2.89Å; F168-Q170 VanDerWaalsContact C-N 3.32Å; F168-Q170 PolarHBondContact O-N 2.91Å; Q170-L172 VanDerWaalsContact C-N 3.32Å; Q170-I173 PolarHBondContact O-N 3.08Å; Q170-N174 PolarHBondContact NE2-ND2 3.46Å; Q170-N174 PolarHBondContact O-N 3.25Å; Q170-N174 VanDerWaalsContact O-N 3.14Å |
| 171 | S | 86.1 | Confident | 84 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 47% | 0.469 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.7 | -31.4 | 176.8 | 78.4 | 0 | 0 | 0 | 0 | 112.8 | L167 F168 V169 | L167-S171 PolarHBondContact O-N 3.41Å; F168-S171 WeakPolarHBondContact O-CB 3.38Å; F168-S171 PolarHBondContact O-N 2.99Å; F168-S171 VanDerWaalsContact O-N 3.14Å; F168-S171 PolarHBondContact O-OG 3.24Å; V169-S171 VanDerWaalsContact C-N 3.27Å; V169-S171 PolarHBondContact O-N 3.16Å |
| 172 | L | 85.9 | Confident | 83.2 | Confident | 26 Ų | 26 | 70 Ų | 70 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -76 | -38.2 | 175.2 | -68.4 | 176.2 | 0 | 0 | 0 | 112.1 | F168 V169 Q170 P194 L195 | F168-L172 HydrophobicContact CD1-CD1 4.14Å; F168-L172 HydrophobicContact CE1-CD1 3.56Å; F168-L172 HydrophobicContact CE1-CG 4.38Å; F168-L172 HydrophobicContact CZ-CD1 3.9Å; F168-L172 HydrophobicContact CZ-CG 4.42Å; F168-L172 PolarHBondContact O-N 3.48Å; F168-L172 VanDerWaalsContact O-N 3.14Å; V169-L172 PolarHBondContact O-N 3.32Å; V169-L172 VanDerWaalsContact O-N 3.14Å; Q170-L172 VanDerWaalsContact C-N 3.32Å; L172-P194 WeakPolarHBondContact O-CG 3.2Å; L172-L195 HydrophobicContact CB-CB 4.42Å; L172-L195 HydrophobicContact CB-CD1 4.22Å; L172-L195 HydrophobicContact CD1-CD1 4.14Å |
| 173 | I | 84.2 | Confident | 82.5 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 7% | 0.067 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.5 | -35.3 | -179.7 | -65.6 | 167.5 | 0 | 0 | 0 | 111.5 | V169 Q170 P175 Y192 L195 Q297 | V169-I173 HydrophobicContact CG1-CD1 3.75Å; V169-I173 HydrophobicContact CG1-CG1 4.5Å; V169-I173 WeakPolarHBondContact O-CG1 3.29Å; V169-I173 PolarHBondContact O-N 2.92Å; Q170-I173 PolarHBondContact O-N 3.08Å; I173-P175 VanDerWaalsContact C-CD 3.42Å; I173-P175 VanDerWaalsContact O-CD 3.28Å; I173-P175 WeakPolarHBondContact O-CD 3.47Å; I173-Y192 HydrophobicContact CD1-CD1 4.44Å; I173-Y192 HydrophobicContact CD1-CE1 4.11Å; I173-Y192 HydrophobicContact CG1-CD1 4.06Å; I173-Y192 HydrophobicContact CG1-CE1 4.14Å; I173-Y192 HydrophobicContact CG2-CD1 4.31Å; I173-Y192 HydrophobicContact CG2-CE1 3.99Å; I173-L195 HydrophobicContact CD1-CD2 4.21Å; I173-L195 HydrophobicContact CG1-CB 4.49Å; I173-L195 HydrophobicContact CG1-CD1 4.48Å; I173-L195 HydrophobicContact CG1-CD2 3.97Å; I173-Q297 HydrophobicContact CD1-CB 4.43Å; I173-Q297 HydrophobicContact CD1-CG 3.92Å |
| 174 | N | 78 | Confident | 81.4 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -119.7 | 70.7 | -178.7 | -61.8 | -67.9 | 0 | 0 | 0 | 110.4 | Q170 R176 Y186 | Q170-N174 PolarHBondContact NE2-ND2 3.46Å; Q170-N174 PolarHBondContact O-N 3.25Å; Q170-N174 VanDerWaalsContact O-N 3.14Å; N174-R176 PolarHBondContact O-N 3.25Å; N174-R176 VanDerWaalsContact O-N 3.11Å; N174-Y186 HydrophobicContact CB-CD1 4.03Å; N174-Y186 HydrophobicContact CB-CE1 4.18Å |
| 175 | P | 69.3 | Low | 80.2 | Confident | 35 Ų | 35 | 74.4 Ų | 74.4 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 119.1 | 178.6 | 27.3 | -32.8 | 0 | 0 | 0 | 108.9 | I173 N187 | I173-P175 VanDerWaalsContact C-CD 3.42Å; I173-P175 VanDerWaalsContact O-CD 3.28Å; I173-P175 WeakPolarHBondContact O-CD 3.47Å; P175-N187 PolarHBondContact O-N 3.07Å |
| 176 | R | 67.4 | Low | 78.8 | Confident | 160 Ų | 160 | 78.2 Ų | 78.2 | 60% | 0.604 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 122.6 | 174 | -67.7 | -175.4 | 178.4 | 176.5 | 1 | 108.5 | N174 W184 Y186 | N174-R176 PolarHBondContact O-N 3.25Å; N174-R176 VanDerWaalsContact O-N 3.11Å; R176-W184 HydrophobicContact CB-CE3 3.96Å; R176-W184 HydrophobicContact CB-CZ3 4.39Å; R176-Y186 HydrophobicContact CG-CD1 4.41Å; R176-Y186 HydrophobicContact CG-CE1 4.01Å |
| 177 | Q | 67.5 | Low | 77.4 | Confident | 103 Ų | 103 | 78.7 Ų | 78.7 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.6 | 169.4 | -68.4 | -171.3 | -6.7 | 0 | 0 | 109.3 | K179 W184 D185 N187 | Q177-K179 PolarHBondContact O-N 2.81Å; Q177-W184 WeakPolarHBondContact O-CA 3.28Å; Q177-D185 PolarHBondContact N-O 2.95Å; Q177-D185 PolarHBondContact O-N 3.21Å; Q177-N187 HydrophobicContact CG-CB 3.98Å; Q177-N187 PolarHBondContact NE2-ND2 3.34Å |
| 178 | I | 70.8 | Confident | 75.8 | Confident | 113 Ų | 113 | 82.1 Ų | 82.1 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 111.4 | 169.9 | -59.9 | 168.7 | 0 | 0 | 0 | 105.9 | W184 | I178-W184 HydrophobicContact CB-CZ3 4.47Å; I178-W184 HydrophobicContact CD1-CE3 4.44Å; I178-W184 HydrophobicContact CD1-CH2 3.51Å; I178-W184 HydrophobicContact CD1-CZ2 4.35Å; I178-W184 HydrophobicContact CD1-CZ3 3.58Å; I178-W184 HydrophobicContact CG1-CD2 4.27Å; I178-W184 HydrophobicContact CG1-CE3 3.5Å; I178-W184 VanDerWaalsContact CG1-CE3 3.5Å; I178-W184 HydrophobicContact CG1-CH2 3.47Å; I178-W184 VanDerWaalsContact CG1-CH2 3.47Å; I178-W184 HydrophobicContact CG1-CZ2 4.19Å; I178-W184 HydrophobicContact CG1-CZ3 3.08Å |
| 179 | K | 74.5 | Confident | 74.2 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 39% | 0.387 | 42% | 0.423 | S | S | . | . | trans | -64.6 | 157 | 168.7 | -79.6 | 173 | 168.1 | 160.7 | 0 | 109.2 | Q177 D181 G182 S183 D185 | Q177-K179 PolarHBondContact O-N 2.81Å; K179-D181 WeakPolarHBondContact CB-OD1 3.3Å; K179-D181 PolarHBondContact O-N 2.95Å; K179-G182 PolarHBondContact O-N 3.04Å; K179-S183 WeakPolarHBondContact CB-O 3.25Å; K179-S183 VanDerWaalsContact CD-OG 3.3Å; K179-S183 WeakPolarHBondContact CD-OG 3.11Å; K179-S183 PolarHBondContact N-O 3.05Å; K179-D185 HydrophobicContact CD-CB 3.99Å; K179-D185 VanDerWaalsContact CE-CB 3.47Å; K179-D185 WeakPolarHBondContact CE-OD2 3.31Å; K179-D185 HydrophobicContact CG-CB 4.2Å; K179-D185 IonicContact NZ-OD2 3.51Å; K179-D185 PolarHBondContact NZ-OD2 3.41Å | ||
| 180 | S | 76 | Confident | 73 | Confident | 140 Ų | 140 | 82.2 Ų | 82.2 | 98% | 0.979 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -17.3 | 177.9 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 181 | D | 80.4 | Confident | 72.3 | Confident | 114 Ų | 114 | 79.4 Ų | 79.4 | 61% | 0.61 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 0.8 | 175.2 | 65.3 | -1.3 | 0 | 0 | 0 | 113.9 | K179 S183 | K179-D181 WeakPolarHBondContact CB-OD1 3.3Å; K179-D181 PolarHBondContact O-N 2.95Å; D181-S183 VanDerWaalsContact CG-OG 3.23Å; D181-S183 PolarHBondContact O-N 3.15Å; D181-S183 VanDerWaalsContact OD1-CB 3.27Å; D181-S183 WeakPolarHBondContact OD1-CB 3.47Å; D181-S183 PolarHBondContact OD1-N 3.32Å; D181-S183 PolarHBondContact OD1-OG 3.15Å; D181-S183 PolarHBondContact OD2-OG 3.35Å; D181-S183 VanDerWaalsContact OD2-OG 3.1Å |
| 182 | G | 78.1 | Confident | 72.3 | Confident | 50 Ų | 50 | 77.7 Ų | 77.7 | 52% | 0.515 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 79 | 0.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K179 | K179-G182 PolarHBondContact O-N 3.04Š|
| 183 | S | 78.4 | Confident | 72.3 | Confident | 44 Ų | 44 | 77 Ų | 77 | 31% | 0.308 | 41% | 0.407 | S | S | . | . | trans | -78.5 | 152 | 171.2 | 75.2 | 0 | 0 | 0 | 0 | 110.8 | K179 D181 | K179-S183 WeakPolarHBondContact CB-O 3.25Å; K179-S183 VanDerWaalsContact CD-OG 3.3Å; K179-S183 WeakPolarHBondContact CD-OG 3.11Å; K179-S183 PolarHBondContact N-O 3.05Å; D181-S183 VanDerWaalsContact CG-OG 3.23Å; D181-S183 PolarHBondContact O-N 3.15Å; D181-S183 VanDerWaalsContact OD1-CB 3.27Å; D181-S183 WeakPolarHBondContact OD1-CB 3.47Å; D181-S183 PolarHBondContact OD1-N 3.32Å; D181-S183 PolarHBondContact OD1-OG 3.15Å; D181-S183 PolarHBondContact OD2-OG 3.35Å; D181-S183 VanDerWaalsContact OD2-OG 3.1Å | ||
| 184 | W | 71.6 | Confident | 72.4 | Confident | 160 Ų | 160 | 77.5 Ų | 77.5 | 61% | 0.606 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.2 | 176.5 | -55 | 89.1 | 0 | 0 | 0 | 108.6 | R176 Q177 I178 | R176-W184 HydrophobicContact CB-CE3 3.96Å; R176-W184 HydrophobicContact CB-CZ3 4.39Å; Q177-W184 WeakPolarHBondContact O-CA 3.28Å; I178-W184 HydrophobicContact CB-CZ3 4.47Å; I178-W184 HydrophobicContact CD1-CE3 4.44Å; I178-W184 HydrophobicContact CD1-CH2 3.51Å; I178-W184 HydrophobicContact CD1-CZ2 4.35Å; I178-W184 HydrophobicContact CD1-CZ3 3.58Å; I178-W184 HydrophobicContact CG1-CD2 4.27Å; I178-W184 HydrophobicContact CG1-CE3 3.5Å; I178-W184 VanDerWaalsContact CG1-CE3 3.5Å; I178-W184 HydrophobicContact CG1-CH2 3.47Å; I178-W184 VanDerWaalsContact CG1-CH2 3.47Å; I178-W184 HydrophobicContact CG1-CZ2 4.19Å; I178-W184 HydrophobicContact CG1-CZ3 3.08Å |
| 185 | D | 68 | Low | 72.8 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.2 | 167 | -155 | -7.3 | 0 | 0 | 0 | 109.8 | Q177 K179 N187 | Q177-D185 PolarHBondContact N-O 2.95Å; Q177-D185 PolarHBondContact O-N 3.21Å; K179-D185 HydrophobicContact CD-CB 3.99Å; K179-D185 VanDerWaalsContact CE-CB 3.47Å; K179-D185 WeakPolarHBondContact CE-OD2 3.31Å; K179-D185 HydrophobicContact CG-CB 4.2Å; K179-D185 IonicContact NZ-OD2 3.51Å; K179-D185 PolarHBondContact NZ-OD2 3.41Å; D185-N187 PolarHBondContact O-N 3.07Å |
| 186 | Y | 64.3 | Low | 73.8 | Confident | 95 Ų | 95 | 73.8 Ų | 73.8 | 37% | 0.373 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 114 | 171.2 | -70.5 | -78.1 | 0 | 0 | 0 | 106.5 | N174 R176 Y188 | N174-Y186 HydrophobicContact CB-CD1 4.03Å; N174-Y186 HydrophobicContact CB-CE1 4.18Å; R176-Y186 HydrophobicContact CG-CD1 4.41Å; R176-Y186 HydrophobicContact CG-CE1 4.01Å; Y186-Y188 VanDerWaalsContact CB-CE2 3.48Å; Y186-Y188 HydrophobicContact CG-CE2 4.27Å; Y186-Y188 WeakPolarHBondContact O-CD2 3.47Å; Y186-Y188 PolarHBondContact O-N 2.86Å |
| 187 | N | 63.2 | Low | 74.7 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 20% | 0.203 | 37% | 0.371 | C | S | . | . | trans | -74.1 | 80.6 | 171.7 | -176.5 | 11.5 | 0 | 0 | 0 | 108.8 | P175 Q177 D185 G189 D190 | P175-N187 PolarHBondContact O-N 3.07Å; Q177-N187 HydrophobicContact CG-CB 3.98Å; Q177-N187 PolarHBondContact NE2-ND2 3.34Å; D185-N187 PolarHBondContact O-N 3.07Å; N187-G189 PolarHBondContact O-N 3.08Å; N187-G189 PolarHBondContact OD1-N 3.37Å; N187-G189 VanDerWaalsContact OD1-N 3.1Å; N187-D190 PolarHBondContact ND2-OD2 2.83Å | ||
| 188 | Y | 60.7 | Low | 75.7 | Confident | 180 Ų | 180 | 70.6 Ų | 70.6 | 71% | 0.706 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.1 | 173 | -80 | -78.2 | 0 | 0 | 0 | 112.3 | Y186 D190 G191 | Y186-Y188 VanDerWaalsContact CB-CE2 3.48Å; Y186-Y188 HydrophobicContact CG-CE2 4.27Å; Y186-Y188 WeakPolarHBondContact O-CD2 3.47Å; Y186-Y188 PolarHBondContact O-N 2.86Å; Y188-D190 VanDerWaalsContact C-N 3.32Å; Y188-D190 PolarHBondContact O-N 3.39Å; Y188-G191 PolarHBondContact O-N 2.85Å |
| 189 | G | 57.2 | Low | 76.7 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 65% | 0.649 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -29.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | N187 | N187-G189 PolarHBondContact O-N 3.08Å; N187-G189 PolarHBondContact OD1-N 3.37Å; N187-G189 VanDerWaalsContact OD1-N 3.1Å |
| 190 | D | 63.5 | Low | 77.4 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -100.6 | -10.6 | -179.6 | -65.4 | -42.3 | 0 | 0 | 0 | 113.3 | N187 Y188 Y192 L193 R280 | N187-D190 PolarHBondContact ND2-OD2 2.83Å; Y188-D190 VanDerWaalsContact C-N 3.32Å; Y188-D190 PolarHBondContact O-N 3.39Å; D190-Y192 PolarHBondContact O-N 3.46Å; D190-Y192 VanDerWaalsContact O-N 3.16Å; D190-L193 HydrophobicContact CB-CB 4.39Å; D190-L193 HydrophobicContact CB-CD2 4.33Å; D190-L193 WeakPolarHBondContact O-CB 3.47Å; D190-L193 PolarHBondContact O-N 2.89Å; D190-R280 IonicContact OD1-CZ 2.65Å; D190-R280 IonicContact OD1-NH1 2.83Å; D190-R280 PolarHBondContact OD1-NH1 2.91Å; D190-R280 IonicContact OD1-NH2 2.68Å; D190-R280 PolarHBondContact OD1-NH2 2.97Å |
| 191 | G | 73.8 | Confident | 78.1 | Confident | 23 Ų | 23 | 58 Ų | 58 | 24% | 0.237 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 42.1 | -117.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y188 | Y188-G191 PolarHBondContact O-N 2.85Š|
| 192 | Y | 84.7 | Confident | 78.7 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.8 | -179.4 | -61 | -85.2 | 0 | 0 | 0 | 114.7 | I173 D190 L195 L196 N290 L293 | I173-Y192 HydrophobicContact CD1-CD1 4.44Å; I173-Y192 HydrophobicContact CD1-CE1 4.11Å; I173-Y192 HydrophobicContact CG1-CD1 4.06Å; I173-Y192 HydrophobicContact CG1-CE1 4.14Å; I173-Y192 HydrophobicContact CG2-CD1 4.31Å; I173-Y192 HydrophobicContact CG2-CE1 3.99Å; D190-Y192 PolarHBondContact O-N 3.46Å; D190-Y192 VanDerWaalsContact O-N 3.16Å; Y192-L195 HydrophobicContact CD1-CD2 3.98Å; Y192-L195 WeakPolarHBondContact O-CB 3.44Å; Y192-L195 PolarHBondContact O-N 2.94Å; Y192-L196 PolarHBondContact O-N 3.36Å; Y192-N290 WeakPolarHBondContact CE2-OD1 3.46Å; Y192-L293 HydrophobicContact CD1-CB 3.83Å; Y192-L293 HydrophobicContact CD1-CD1 4.29Å; Y192-L293 HydrophobicContact CD1-CD2 4.09Å; Y192-L293 HydrophobicContact CD1-CG 4.31Å; Y192-L293 HydrophobicContact CD2-CB 4.28Å; Y192-L293 HydrophobicContact CD2-CD1 4.06Å; Y192-L293 HydrophobicContact CE1-CB 3.82Å; Y192-L293 HydrophobicContact CE2-CB 4.29Å; Y192-L293 HydrophobicContact CG-CB 4.05Å; Y192-L293 HydrophobicContact CG-CD1 3.76Å; Y192-L293 HydrophobicContact CG-CD2 4.32Å; Y192-L293 HydrophobicContact CG-CG 4.28Å |
| 193 | L | 86.1 | Confident | 79.2 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54 | -54.7 | 178 | -179.4 | 72.2 | 0 | 0 | 0 | 112.6 | D190 L195 L196 K197 I279 R280 | D190-L193 HydrophobicContact CB-CB 4.39Å; D190-L193 HydrophobicContact CB-CD2 4.33Å; D190-L193 WeakPolarHBondContact O-CB 3.47Å; D190-L193 PolarHBondContact O-N 2.89Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 PolarHBondContact O-N 3.24Å; L193-L196 PolarHBondContact O-N 3.26Å; L193-K197 WeakPolarHBondContact O-CB 3.48Å; L193-K197 PolarHBondContact O-N 3.38Å; L193-I279 HydrophobicContact CD1-CB 3.77Å; L193-I279 HydrophobicContact CD1-CG2 3.46Å; L193-I279 VanDerWaalsContact CD1-CG2 3.46Å; L193-R280 HydrophobicContact CD1-CG 3.99Å; L193-R280 HydrophobicContact CD2-CG 4.08Å |
| 194 | P | 86.1 | Confident | 79.7 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 14% | 0.143 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -35.7 | 179 | 24 | -36.7 | 0 | 0 | 0 | 112.7 | L172 Y198 | L172-P194 WeakPolarHBondContact O-CG 3.2Å; P194-Y198 HydrophobicContact CB-CD2 4.04Å; P194-Y198 HydrophobicContact CB-CE2 4.27Å; P194-Y198 WeakPolarHBondContact O-CB 3.41Å; P194-Y198 VanDerWaalsContact O-CD2 3.27Å; P194-Y198 WeakPolarHBondContact O-CD2 3.42Å; P194-Y198 PolarHBondContact O-N 2.88Å |
| 195 | L | 87.8 | Confident | 80.6 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -61.6 | -52 | 175.4 | -177.4 | 74.5 | 0 | 0 | 0 | 110.5 | V169 L172 I173 Y192 L193 K197 Y199 G200 F268 L293 W296 | V169-L195 HydrophobicContact CG1-CD1 4.03Å; V169-L195 HydrophobicContact CG2-CD1 4.48Å; L172-L195 HydrophobicContact CB-CB 4.42Å; L172-L195 HydrophobicContact CB-CD1 4.22Å; L172-L195 HydrophobicContact CD1-CD1 4.14Å; I173-L195 HydrophobicContact CD1-CD2 4.21Å; I173-L195 HydrophobicContact CG1-CB 4.49Å; I173-L195 HydrophobicContact CG1-CD1 4.48Å; I173-L195 HydrophobicContact CG1-CD2 3.97Å; Y192-L195 HydrophobicContact CD1-CD2 3.98Å; Y192-L195 WeakPolarHBondContact O-CB 3.44Å; Y192-L195 PolarHBondContact O-N 2.94Å; L193-L195 VanDerWaalsContact C-N 3.28Å; L193-L195 PolarHBondContact O-N 3.24Å; L195-K197 VanDerWaalsContact C-N 3.32Å; L195-K197 PolarHBondContact O-N 2.79Å; L195-Y199 HydrophobicContact CD1-CD1 3.91Å; L195-Y199 HydrophobicContact CD1-CG 4.02Å; L195-Y199 HydrophobicContact CG-CD1 4.44Å; L195-Y199 WeakPolarHBondContact O-CA 3.11Å; L195-Y199 VanDerWaalsContact O-CB 3.24Å; L195-Y199 WeakPolarHBondContact O-CB 3.3Å; L195-Y199 PolarHBondContact O-N 3.12Å; L195-G200 PolarHBondContact O-N 3.41Å; L195-F268 HydrophobicContact CD2-CE2 4.39Å; L195-F268 HydrophobicContact CD2-CZ 4.46Å; L195-L293 HydrophobicContact CD2-CD2 3.99Å; L195-W296 HydrophobicContact CD1-CZ3 4.47Å; L195-W296 HydrophobicContact CD2-CZ3 4.12Å |
| 196 | L | 89.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -66.7 | -36.9 | -176.2 | -151.3 | 67.5 | 0 | 0 | 0 | 111.9 | Y192 L193 G200 F268 N271 S272 I279 L283 L293 | Y192-L196 PolarHBondContact O-N 3.36Å; L193-L196 PolarHBondContact O-N 3.26Å; L196-G200 PolarHBondContact O-N 3.21Å; L196-F268 HydrophobicContact CD1-CB 4.18Å; L196-F268 HydrophobicContact CD1-CD1 3.64Å; L196-F268 HydrophobicContact CD1-CE1 4.37Å; L196-F268 HydrophobicContact CD1-CG 4.07Å; L196-N271 HydrophobicContact CD1-CB 4.11Å; L196-N271 HydrophobicContact CD2-CB 3.44Å; L196-N271 VanDerWaalsContact CD2-CB 3.44Å; L196-N271 HydrophobicContact CG-CB 3.78Å; L196-S272 WeakPolarHBondContact O-CA 3.4Å; L196-S272 WeakPolarHBondContact O-CB 3.33Å; L196-I279 HydrophobicContact CB-CG2 4.29Å; L196-I279 HydrophobicContact CD2-CG1 4.37Å; L196-I279 HydrophobicContact CD2-CG2 3.62Å; L196-L283 HydrophobicContact CD2-CD1 4.14Å; L196-L293 HydrophobicContact CD1-CD2 4.39Å |
| 197 | K | 87.4 | Confident | 83.1 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 22% | 0.222 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -74.5 | -51 | -178.1 | -170.5 | 58.8 | 169.4 | -179.8 | 0 | 112.9 | L193 L195 S272 K274 I279 | L193-K197 WeakPolarHBondContact O-CB 3.48Å; L193-K197 PolarHBondContact O-N 3.38Å; L195-K197 VanDerWaalsContact C-N 3.32Å; L195-K197 PolarHBondContact O-N 2.79Å; K197-S272 PolarHBondContact NZ-O 3.46Å; K197-K274 PolarHBondContact NZ-O 3Å; K197-I279 HydrophobicContact CD-CD1 4.17Å |
| 198 | Y | 88.7 | Confident | 84.5 | Confident | 146 Ų | 146 | 55.1 Ų | 55.1 | 57% | 0.573 | 27% | 0.271 | S | S | * | . | I | π-helix | trans | -92.3 | -44.7 | -171.4 | -59.7 | -60.6 | 0 | 0 | 0 | 112.7 | P194 Y202 | P194-Y198 HydrophobicContact CB-CD2 4.04Å; P194-Y198 HydrophobicContact CB-CE2 4.27Å; P194-Y198 WeakPolarHBondContact O-CB 3.41Å; P194-Y198 VanDerWaalsContact O-CD2 3.27Å; P194-Y198 WeakPolarHBondContact O-CD2 3.42Å; P194-Y198 PolarHBondContact O-N 2.88Å; Y198-Y202 WeakPolarHBondContact O-CD2 3.42Å |
| 199 | Y | 91.3 | Very high | 86 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -78.9 | -32.4 | 179.8 | 172.4 | -95.6 | 0 | 0 | 0 | 112 | H165 F168 V169 L195 I201 Y202 A203 I206 F268 W296 | H165-Y199 PolarHBondContact CE1-OH 2.83Å; H165-Y199 AromaticContact NE2-CE2 3.31Å; H165-Y199 VanDerWaalsContact NE2-CE2 3.31Å; H165-Y199 WeakPolarHBondContact NE2-CE2 3.3Å; H165-Y199 AromaticContact NE2-CZ 3.43Å; H165-Y199 PolarHBondContact NE2-OH 3.21Å; F168-Y199 HydrophobicContact CD1-CD2 4.49Å; F168-Y199 HydrophobicContact CE1-CD2 4.21Å; V169-Y199 HydrophobicContact CG2-CD2 4.48Å; V169-Y199 HydrophobicContact CG2-CE2 4.26Å; L195-Y199 HydrophobicContact CD1-CD1 3.91Å; L195-Y199 HydrophobicContact CD1-CG 4.02Å; L195-Y199 HydrophobicContact CG-CD1 4.44Å; L195-Y199 WeakPolarHBondContact O-CA 3.11Å; L195-Y199 VanDerWaalsContact O-CB 3.24Å; L195-Y199 WeakPolarHBondContact O-CB 3.3Å; L195-Y199 PolarHBondContact O-N 3.12Å; Y199-I201 VanDerWaalsContact C-N 3.25Å; Y199-I201 PolarHBondContact O-N 3.02Å; Y199-I201 VanDerWaalsContact O-N 3.14Å; Y199-Y202 CarbonylContact O-C 3.54Å; Y199-Y202 WeakPolarHBondContact O-CA 3.28Å; Y199-Y202 PolarHBondContact O-N 3.49Å; Y199-A203 HydrophobicContact CD1-CB 4.29Å; Y199-A203 HydrophobicContact CE1-CB 3.78Å; Y199-A203 PolarHBondContact O-N 3.17Å; Y199-I206 HydrophobicContact CD2-CD1 4.19Å; Y199-I206 HydrophobicContact CE2-CD1 3.55Å; Y199-F268 HydrophobicContact CD1-CD2 4.01Å; Y199-F268 HydrophobicContact CD1-CE2 4.42Å; Y199-F268 AromaticContact CE1-CD2 3.85Å; Y199-F268 HydrophobicContact CE1-CD2 3.85Å; Y199-F268 HydrophobicContact CE1-CE2 4.18Å; Y199-W296 HydrophobicContact CD1-CH2 4.35Å; Y199-W296 AromaticContact CE1-CH2 3.65Å; Y199-W296 HydrophobicContact CE1-CH2 3.65Å; Y199-W296 AromaticContact CE1-CZ2 3.67Å; Y199-W296 HydrophobicContact CE1-CZ2 3.67Å; Y199-W296 AromaticContact CZ-CZ2 3.97Å |
| 200 | G | 89.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.7 | -33.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L195 L196 Y202 A203 H269 | L195-G200 PolarHBondContact O-N 3.41Å; L196-G200 PolarHBondContact O-N 3.21Å; G200-Y202 VanDerWaalsContact C-N 3.26Å; G200-Y202 PolarHBondContact O-N 3.42Å; G200-A203 PolarHBondContact O-N 3.46Å; G200-H269 VanDerWaalsContact O-CA 3.29Å; G200-H269 WeakPolarHBondContact O-CA 3.36Å |
| 201 | I | 90.7 | Very high | 89.1 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.5 | -35.1 | 175.7 | -57.9 | 173.5 | 0 | 0 | 0 | 111.4 | Y199 | Y199-I201 VanDerWaalsContact C-N 3.25Å; Y199-I201 PolarHBondContact O-N 3.02Å; Y199-I201 VanDerWaalsContact O-N 3.14Å |
| 202 | Y | 92.2 | Very high | 90 | Very high | 148 Ų | 148 | 52.9 Ų | 52.9 | 58% | 0.58 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -97.2 | -9.2 | -176.4 | -59.9 | -72.8 | 0 | 0 | 0 | 113.7 | Y198 Y199 G200 R204 P205 I206 | Y198-Y202 WeakPolarHBondContact O-CD2 3.42Å; Y199-Y202 CarbonylContact O-C 3.54Å; Y199-Y202 WeakPolarHBondContact O-CA 3.28Å; Y199-Y202 PolarHBondContact O-N 3.49Å; G200-Y202 VanDerWaalsContact C-N 3.26Å; G200-Y202 PolarHBondContact O-N 3.42Å; Y202-R204 VanDerWaalsContact C-N 3.3Å; Y202-R204 PolarHBondContact O-N 2.85Å; Y202-P205 VanDerWaalsContact O-CD 3.27Å; Y202-P205 WeakPolarHBondContact O-CD 3.48Å; Y202-I206 WeakPolarHBondContact O-CB 3.35Å; Y202-I206 VanDerWaalsContact O-CG1 3.22Å; Y202-I206 WeakPolarHBondContact O-CG1 3.46Å; Y202-I206 PolarHBondContact O-N 3.43Å |
| 203 | A | 89.7 | Confident | 90.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54 | -44.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y199 G200 S207 D265 F268 | Y199-A203 HydrophobicContact CD1-CB 4.29Å; Y199-A203 HydrophobicContact CE1-CB 3.78Å; Y199-A203 PolarHBondContact O-N 3.17Å; G200-A203 PolarHBondContact O-N 3.46Å; A203-S207 VanDerWaalsContact O-CB 3.28Å; A203-S207 WeakPolarHBondContact O-CB 3.31Å; A203-S207 PolarHBondContact O-N 2.93Å; A203-D265 HydrophobicContact CB-CB 4.29Å; A203-F268 HydrophobicContact CB-CB 4.09Å; A203-F268 HydrophobicContact CB-CD2 4.4Å |
| 204 | R | 88.2 | Confident | 90.5 | Very high | 141 Ų | 141 | 52.6 Ų | 52.6 | 53% | 0.532 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.1 | -51.1 | -179.3 | 179.7 | 177.4 | -178.1 | -176.2 | 4 | 113.5 | Y202 I206 S207 I208 | Y202-R204 VanDerWaalsContact C-N 3.3Å; Y202-R204 PolarHBondContact O-N 2.85Å; R204-I206 VanDerWaalsContact C-N 3.29Å; R204-I206 PolarHBondContact O-N 2.87Å; R204-S207 PolarHBondContact O-N 3.41Å; R204-I208 HydrophobicContact CG-CD1 3.98Å; R204-I208 WeakPolarHBondContact O-CG1 3.43Å; R204-I208 PolarHBondContact O-N 3.13Å |
| 205 | P | 91.8 | Very high | 90.8 | Very high | 67 Ų | 67 | 53.2 Ų | 53.2 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.9 | -42.4 | 172.8 | -27.9 | 32.6 | 0 | 0 | 0 | 113.7 | Y202 I208 T209 | Y202-P205 VanDerWaalsContact O-CD 3.27Å; Y202-P205 WeakPolarHBondContact O-CD 3.48Å; P205-I208 PolarHBondContact O-N 2.85Å; P205-T209 PolarHBondContact O-N 3.3Å; P205-T209 PolarHBondContact O-OG1 3.25Å |
| 206 | I | 91.7 | Very high | 90.9 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 178.3 | -69.3 | 170.2 | 0 | 0 | 0 | 110.5 | Y199 Y202 R204 I208 T209 F210 | Y199-I206 HydrophobicContact CD2-CD1 4.19Å; Y199-I206 HydrophobicContact CE2-CD1 3.55Å; Y202-I206 WeakPolarHBondContact O-CB 3.35Å; Y202-I206 VanDerWaalsContact O-CG1 3.22Å; Y202-I206 WeakPolarHBondContact O-CG1 3.46Å; Y202-I206 PolarHBondContact O-N 3.43Å; R204-I206 VanDerWaalsContact C-N 3.29Å; R204-I206 PolarHBondContact O-N 2.87Å; I206-I208 PolarHBondContact O-N 3.2Å; I206-T209 WeakPolarHBondContact O-CB 3.3Å; I206-T209 PolarHBondContact O-N 2.86Å; I206-T209 VanDerWaalsContact O-N 3.12Å; I206-F210 HydrophobicContact CG2-CD2 3.67Å; I206-F210 HydrophobicContact CG2-CE2 3.65Å; I206-F210 WeakPolarHBondContact O-CD2 3.38Å; I206-F210 PolarHBondContact O-N 2.92Å |
| 207 | S | 91.4 | Very high | 90.7 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 177.5 | -161.8 | 0 | 0 | 0 | 0 | 111.9 | A203 R204 T209 F210 Y211 H258 D265 | A203-S207 VanDerWaalsContact O-CB 3.28Å; A203-S207 WeakPolarHBondContact O-CB 3.31Å; A203-S207 PolarHBondContact O-N 2.93Å; R204-S207 PolarHBondContact O-N 3.41Å; S207-T209 VanDerWaalsContact C-N 3.31Å; S207-T209 PolarHBondContact O-N 3.01Å; S207-F210 PolarHBondContact O-N 3.02Å; S207-Y211 PolarHBondContact O-N 3.17Å; S207-H258 PolarHBondContact O-CE1 3.11Å; S207-H258 VanDerWaalsContact O-CE1 3.25Å; S207-H258 PolarHBondContact O-NE2 3.39Å; S207-H258 VanDerWaalsContact O-NE2 3.13Å; S207-D265 WeakPolarHBondContact CB-OD2 3.47Å; S207-D265 PolarHBondContact OG-OD2 3.1Å |
| 208 | I | 92.3 | Very high | 90.6 | Very high | 91 Ų | 91 | 56.2 Ų | 56.2 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 176.4 | -65.9 | 164.5 | 0 | 0 | 0 | 111.3 | R204 P205 I206 Y211 T212 | R204-I208 HydrophobicContact CG-CD1 3.98Å; R204-I208 WeakPolarHBondContact O-CG1 3.43Å; R204-I208 PolarHBondContact O-N 3.13Å; P205-I208 PolarHBondContact O-N 2.85Å; I206-I208 PolarHBondContact O-N 3.2Å; I208-Y211 PolarHBondContact O-N 3.29Å; I208-T212 HydrophobicContact CG2-CG2 4.43Å; I208-T212 WeakPolarHBondContact O-CG2 3.43Å; I208-T212 PolarHBondContact O-N 2.69Å; I208-T212 PolarHBondContact O-OG1 2.67Å |
| 209 | T | 92.9 | Very high | 90.3 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 179.4 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | P205 I206 S207 T212 S213 | P205-T209 PolarHBondContact O-N 3.3Å; P205-T209 PolarHBondContact O-OG1 3.25Å; I206-T209 WeakPolarHBondContact O-CB 3.3Å; I206-T209 PolarHBondContact O-N 2.86Å; I206-T209 VanDerWaalsContact O-N 3.12Å; S207-T209 VanDerWaalsContact C-N 3.31Å; S207-T209 PolarHBondContact O-N 3.01Å; T209-T212 PolarHBondContact O-OG1 3.26Å; T209-S213 VanDerWaalsContact O-CB 3.28Å; T209-S213 WeakPolarHBondContact O-CB 3.25Å; T209-S213 PolarHBondContact O-N 2.91Å; T209-S213 PolarHBondContact O-OG 3.31Å |
| 210 | F | 92.2 | Very high | 89.7 | Confident | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.057 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 173.1 | -87.3 | -76.5 | 0 | 0 | 0 | 111.5 | L158 H165 I206 S207 S213 L214 H258 | L158-F210 HydrophobicContact CD1-CD1 3.71Å; L158-F210 HydrophobicContact CD1-CE1 3.8Å; H165-F210 HydrophobicContact CB-CE2 4.28Å; H165-F210 HydrophobicContact CB-CZ 4.03Å; I206-F210 HydrophobicContact CG2-CD2 3.67Å; I206-F210 HydrophobicContact CG2-CE2 3.65Å; I206-F210 WeakPolarHBondContact O-CD2 3.38Å; I206-F210 PolarHBondContact O-N 2.92Å; S207-F210 PolarHBondContact O-N 3.02Å; F210-S213 PolarHBondContact O-N 2.91Å; F210-L214 WeakPolarHBondContact O-CB 3.3Å; F210-L214 WeakPolarHBondContact O-CG 3.41Å; F210-L214 PolarHBondContact O-N 2.91Å; F210-H258 VanDerWaalsContact CB-CE1 3.41Å; F210-H258 WeakPolarHBondContact CB-CE1 3.48Å |
| 211 | Y | 93.1 | Very high | 89.1 | Confident | 104 Ų | 104 | 57.5 Ų | 57.5 | 41% | 0.408 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 179.5 | -179.9 | -92.7 | 0 | 0 | 0 | 111.5 | S207 I208 L214 A215 F255 H258 N259 | S207-Y211 PolarHBondContact O-N 3.17Å; I208-Y211 PolarHBondContact O-N 3.29Å; Y211-L214 PolarHBondContact O-N 3.47Å; Y211-A215 VanDerWaalsContact O-CB 3.26Å; Y211-A215 WeakPolarHBondContact O-CB 3.33Å; Y211-A215 PolarHBondContact O-N 3.49Å; Y211-F255 HydrophobicContact CD2-CE2 4.27Å; Y211-F255 HydrophobicContact CD2-CZ 4.45Å; Y211-F255 AromaticContact CE2-CE2 3.99Å; Y211-F255 HydrophobicContact CE2-CE2 3.99Å; Y211-F255 AromaticContact CE2-CZ 3.76Å; Y211-F255 HydrophobicContact CE2-CZ 3.76Å; Y211-H258 VanDerWaalsContact CA-NE2 3.29Å; Y211-H258 WeakPolarHBondContact CA-NE2 3.38Å; Y211-H258 WeakPolarHBondContact CB-NE2 3.12Å; Y211-H258 PolarHBondContact N-NE2 3.48Å; Y211-N259 WeakPolarHBondContact CE2-OD1 3.3Å |
| 212 | T | 92.7 | Very high | 88.4 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 178.7 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | I208 T209 A215 L216 | I208-T212 HydrophobicContact CG2-CG2 4.43Å; I208-T212 WeakPolarHBondContact O-CG2 3.43Å; I208-T212 PolarHBondContact O-N 2.69Å; I208-T212 PolarHBondContact O-OG1 2.67Å; T209-T212 PolarHBondContact O-OG1 3.26Å; T212-A215 PolarHBondContact O-N 3.01Å; T212-L216 WeakPolarHBondContact O-CB 3.41Å; T212-L216 VanDerWaalsContact O-CG 3.3Å; T212-L216 WeakPolarHBondContact O-CG 3.32Å; T212-L216 PolarHBondContact O-N 3.37Å |
| 213 | S | 92.1 | Very high | 87.3 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 26% | 0.259 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | T209 F210 I217 | T209-S213 VanDerWaalsContact O-CB 3.28Å; T209-S213 WeakPolarHBondContact O-CB 3.25Å; T209-S213 PolarHBondContact O-N 2.91Å; T209-S213 PolarHBondContact O-OG 3.31Å; F210-S213 PolarHBondContact O-N 2.91Å; S213-I217 WeakPolarHBondContact O-CB 3.42Å; S213-I217 WeakPolarHBondContact O-CD1 3.18Å; S213-I217 VanDerWaalsContact O-CG1 3.32Å; S213-I217 WeakPolarHBondContact O-CG1 3.27Å; S213-I217 PolarHBondContact O-N 3.36Å |
| 214 | L | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.7 | -52.9 | 174.8 | -77.9 | 166.8 | 0 | 0 | 0 | 110 | L158 F210 Y211 L216 I217 G218 Y251 F255 H258 I307 | L158-L214 HydrophobicContact CD2-CD2 3.75Å; L158-L214 HydrophobicContact CD2-CG 4.04Å; F210-L214 WeakPolarHBondContact O-CB 3.3Å; F210-L214 WeakPolarHBondContact O-CG 3.41Å; F210-L214 PolarHBondContact O-N 2.91Å; Y211-L214 PolarHBondContact O-N 3.47Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L216 PolarHBondContact O-N 2.85Å; L214-I217 CarbonylContact O-C 3.58Å; L214-I217 PolarHBondContact O-N 3.47Å; L214-I217 VanDerWaalsContact O-N 3.12Å; L214-G218 PolarHBondContact O-N 3.32Å; L214-Y251 HydrophobicContact CD2-CD2 4.38Å; L214-Y251 HydrophobicContact CD2-CE2 3.82Å; L214-Y251 PolarHBondContact O-OH 2.79Å; L214-F255 HydrophobicContact CB-CD2 4.03Å; L214-F255 HydrophobicContact CB-CE2 4.45Å; L214-H258 HydrophobicContact CD1-CB 3.75Å; L214-I307 HydrophobicContact CD2-CD1 4.32Å; L214-I307 HydrophobicContact CD2-CG1 4.42Å |
| 215 | A | 91.4 | Very high | 85 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 28% | 0.281 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.1 | -45.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y211 T212 G218 V219 | Y211-A215 VanDerWaalsContact O-CB 3.26Å; Y211-A215 WeakPolarHBondContact O-CB 3.33Å; Y211-A215 PolarHBondContact O-N 3.49Å; T212-A215 PolarHBondContact O-N 3.01Å; A215-G218 PolarHBondContact O-N 3.49Å; A215-V219 WeakPolarHBondContact O-CG2 3.29Å; A215-V219 PolarHBondContact O-N 3.16Å; A215-V219 VanDerWaalsContact O-N 3.11Å |
| 216 | L | 89 | Confident | 83.6 | Confident | 108 Ų | 108 | 46.8 Ų | 46.8 | 57% | 0.565 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60 | -49.8 | 176.2 | -74.8 | 173 | 0 | 0 | 0 | 111.4 | T212 L214 G218 V219 F220 | T212-L216 WeakPolarHBondContact O-CB 3.41Å; T212-L216 VanDerWaalsContact O-CG 3.3Å; T212-L216 WeakPolarHBondContact O-CG 3.32Å; T212-L216 PolarHBondContact O-N 3.37Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L216 PolarHBondContact O-N 2.85Å; L216-G218 VanDerWaalsContact C-N 3.29Å; L216-G218 PolarHBondContact O-N 3.26Å; L216-V219 PolarHBondContact O-N 2.88Å; L216-F220 WeakPolarHBondContact O-CD2 3.48Å; L216-F220 PolarHBondContact O-N 3.33Å |
| 217 | I | 86.4 | Confident | 82 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 177.6 | -73.9 | 165.4 | 0 | 0 | 0 | 111.3 | L154 F155 L158 S213 L214 V219 F220 V221 Y251 | L154-I217 HydrophobicContact CB-CD1 4.48Å; L154-I217 HydrophobicContact CB-CG1 4.41Å; F155-I217 HydrophobicContact CD2-CG2 3.28Å; F155-I217 HydrophobicContact CE2-CG2 3.5Å; F155-I217 HydrophobicContact CG-CG2 4.34Å; L158-I217 HydrophobicContact CB-CD1 3.91Å; L158-I217 HydrophobicContact CD2-CD1 3.54Å; L158-I217 HydrophobicContact CG-CD1 4.33Å; S213-I217 WeakPolarHBondContact O-CB 3.42Å; S213-I217 WeakPolarHBondContact O-CD1 3.18Å; S213-I217 VanDerWaalsContact O-CG1 3.32Å; S213-I217 WeakPolarHBondContact O-CG1 3.27Å; S213-I217 PolarHBondContact O-N 3.36Å; L214-I217 CarbonylContact O-C 3.58Å; L214-I217 PolarHBondContact O-N 3.47Å; L214-I217 VanDerWaalsContact O-N 3.12Å; I217-V219 VanDerWaalsContact C-N 3.35Å; I217-V219 PolarHBondContact O-N 2.97Å; I217-F220 PolarHBondContact O-N 3.4Å; I217-F220 VanDerWaalsContact O-N 3.13Å; I217-V221 HydrophobicContact CG2-CG2 4.09Å; I217-V221 WeakPolarHBondContact O-CG2 3.37Å; I217-V221 PolarHBondContact O-N 3.11Å; I217-Y251 HydrophobicContact CG2-CE2 4.22Å |
| 218 | G | 84.7 | Confident | 80.2 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L214 A215 L216 F220 V221 F222 Y251 | L214-G218 PolarHBondContact O-N 3.32Å; A215-G218 PolarHBondContact O-N 3.49Å; L216-G218 VanDerWaalsContact C-N 3.29Å; L216-G218 PolarHBondContact O-N 3.26Å; G218-F220 VanDerWaalsContact C-N 3.26Å; G218-F220 PolarHBondContact O-N 3.26Å; G218-V221 PolarHBondContact O-N 2.88Å; G218-F222 WeakPolarHBondContact O-CB 3.31Å; G218-F222 WeakPolarHBondContact O-CD2 2.96Å; G218-F222 WeakPolarHBondContact O-CG 3.46Å; G218-F222 PolarHBondContact O-N 3.44Å; G218-Y251 VanDerWaalsContact CA-OH 3.27Å; G218-Y251 WeakPolarHBondContact CA-OH 3.43Å; G218-Y251 PolarHBondContact N-OH 3.27Å |
| 219 | V | 83.2 | Confident | 78.4 | Confident | 105 Ų | 105 | 54.6 Ų | 54.6 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56.1 | -43.5 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | A215 L216 I217 G223 | A215-V219 WeakPolarHBondContact O-CG2 3.29Å; A215-V219 PolarHBondContact O-N 3.16Å; A215-V219 VanDerWaalsContact O-N 3.11Å; L216-V219 PolarHBondContact O-N 2.88Å; I217-V219 VanDerWaalsContact C-N 3.35Å; I217-V219 PolarHBondContact O-N 2.97Å; V219-G223 PolarHBondContact O-N 2.94Å |
| 220 | F | 78 | Confident | 76.8 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.4 | -42.2 | 178.6 | -66 | -68.2 | 0 | 0 | 0 | 113.3 | L147 T151 L216 I217 G218 F222 G223 K224 | L147-F220 HydrophobicContact CB-CE1 4.5Å; L147-F220 HydrophobicContact CD2-CE1 4.05Å; L147-F220 HydrophobicContact CD2-CZ 4.49Å; T151-F220 HydrophobicContact CG2-CB 3.38Å; T151-F220 HydrophobicContact CG2-CD2 4.29Å; T151-F220 HydrophobicContact CG2-CG 4.02Å; T151-F220 VanDerWaalsContact OG1-CB 3.24Å; T151-F220 WeakPolarHBondContact OG1-CB 3.15Å; T151-F220 WeakPolarHBondContact OG1-CD1 3.48Å; T151-F220 WeakPolarHBondContact OG1-CG 3.37Å; L216-F220 WeakPolarHBondContact O-CD2 3.48Å; L216-F220 PolarHBondContact O-N 3.33Å; I217-F220 PolarHBondContact O-N 3.4Å; I217-F220 VanDerWaalsContact O-N 3.13Å; G218-F220 VanDerWaalsContact C-N 3.26Å; G218-F220 PolarHBondContact O-N 3.26Å; F220-F222 PolarHBondContact O-N 2.93Å; F220-G223 PolarHBondContact O-N 3.2Å; F220-K224 PolarHBondContact O-N 2.97Å |
| 221 | V | 75.8 | Confident | 75.1 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | I217 G218 G223 K224 F225 I248 | I217-V221 HydrophobicContact CG2-CG2 4.09Å; I217-V221 WeakPolarHBondContact O-CG2 3.37Å; I217-V221 PolarHBondContact O-N 3.11Å; G218-V221 PolarHBondContact O-N 2.88Å; V221-G223 VanDerWaalsContact C-N 3.33Å; V221-G223 PolarHBondContact O-N 3.39Å; V221-K224 PolarHBondContact O-N 3.29Å; V221-F225 HydrophobicContact CG1-CD2 4.2Å; V221-F225 HydrophobicContact CG1-CE2 4.07Å; V221-F225 WeakPolarHBondContact O-CD2 3.01Å; V221-F225 PolarHBondContact O-N 3.37Å; V221-I248 HydrophobicContact CG1-CG1 4Å |
| 222 | F | 76 | Confident | 73.4 | Confident | 68 Ų | 68 | 58.9 Ų | 58.9 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 177.2 | -68.1 | -52.4 | 0 | 0 | 0 | 113.1 | G218 F220 K224 F225 D226 L227 I248 Y251 M252 | G218-F222 WeakPolarHBondContact O-CB 3.31Å; G218-F222 WeakPolarHBondContact O-CD2 2.96Å; G218-F222 WeakPolarHBondContact O-CG 3.46Å; G218-F222 PolarHBondContact O-N 3.44Å; F220-F222 PolarHBondContact O-N 2.93Å; F222-K224 VanDerWaalsContact C-N 3.33Å; F222-K224 PolarHBondContact O-N 3.45Å; F222-F225 PolarHBondContact O-N 2.97Å; F222-D226 PolarHBondContact O-N 2.93Å; F222-L227 HydrophobicContact CD1-CD1 3.23Å; F222-L227 HydrophobicContact CD1-CG 4.3Å; F222-L227 HydrophobicContact CE1-CD1 3.58Å; F222-L227 HydrophobicContact CG-CD1 4.19Å; F222-I248 HydrophobicContact CD1-CG2 4.41Å; F222-I248 HydrophobicContact CE1-CG2 3.75Å; F222-Y251 HydrophobicContact CE2-CE1 4.26Å; F222-M252 HydrophobicContact CE2-SD 4.4Å; F222-M252 HydrophobicContact CZ-CG 4.35Å; F222-M252 HydrophobicContact CZ-SD 3.61Å |
| 223 | G | 70 | Confident | 71.6 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.9 | -40 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | V219 F220 V221 F225 | V219-G223 PolarHBondContact O-N 2.94Å; F220-G223 PolarHBondContact O-N 3.2Å; V221-G223 VanDerWaalsContact C-N 3.33Å; V221-G223 PolarHBondContact O-N 3.39Å; G223-F225 VanDerWaalsContact C-N 3.3Å; G223-F225 PolarHBondContact O-N 3.5Å |
| 224 | K | 66.4 | Low | 69.5 | Low | 46 Ų | 46 | 58.4 Ų | 58.4 | 20% | 0.2 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.1 | -32.3 | 177.5 | -177.2 | 169.4 | 177.9 | 158.5 | 0 | 113.3 | F220 V221 F222 | F220-K224 PolarHBondContact O-N 2.97Å; V221-K224 PolarHBondContact O-N 3.29Å; F222-K224 VanDerWaalsContact C-N 3.33Å; F222-K224 PolarHBondContact O-N 3.45Å |
| 225 | F | 63.9 | Low | 67.8 | Low | 20 Ų | 20 | 64.4 Ų | 64.4 | 9% | 0.088 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -96.6 | -7.4 | -175 | -66.9 | -71 | 0 | 0 | 0 | 114.7 | V221 F222 G223 L241 G244 I248 | V221-F225 HydrophobicContact CG1-CD2 4.2Å; V221-F225 HydrophobicContact CG1-CE2 4.07Å; V221-F225 WeakPolarHBondContact O-CD2 3.01Å; V221-F225 PolarHBondContact O-N 3.37Å; F222-F225 PolarHBondContact O-N 2.97Å; G223-F225 VanDerWaalsContact C-N 3.3Å; G223-F225 PolarHBondContact O-N 3.5Å; F225-L241 HydrophobicContact CE1-CD2 4.36Å; F225-G244 VanDerWaalsContact CZ-CA 3.41Å; F225-G244 WeakPolarHBondContact CZ-O 3.31Å; F225-I248 HydrophobicContact CB-CD1 3.86Å; F225-I248 HydrophobicContact CD1-CD1 4.15Å; F225-I248 HydrophobicContact CD2-CD1 3.24Å; F225-I248 HydrophobicContact CD2-CG1 3.46Å; F225-I248 VanDerWaalsContact CD2-CG1 3.46Å; F225-I248 HydrophobicContact CE2-CD1 3.78Å; F225-I248 HydrophobicContact CE2-CG1 3.56Å; F225-I248 HydrophobicContact CG-CD1 3.48Å; F225-I248 VanDerWaalsContact CG-CD1 3.48Å; F225-I248 HydrophobicContact CG-CG1 4.21Å; F225-I248 HydrophobicContact CZ-CD1 4.43Å; F225-I248 HydrophobicContact CZ-CG1 4.36Å |
| 226 | D | 60.7 | Low | 66 | Low | 35 Ų | 35 | 71.3 Ų | 71.3 | 19% | 0.187 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 62.6 | -178.5 | -173.5 | 18.8 | 0 | 0 | 0 | 112.3 | F222 G228 R229 | F222-D226 PolarHBondContact O-N 2.93Å; D226-G228 PolarHBondContact O-N 3.36Å; D226-G228 VanDerWaalsContact O-N 3.16Å; D226-G228 PolarHBondContact OD1-N 2.82Å; D226-R229 PolarHBondContact O-N 2.7Å |
| 227 | L | 58.2 | Low | 64.1 | Low | 89 Ų | 89 | 71.6 Ų | 71.6 | 47% | 0.466 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12 | 174 | -73.6 | 178 | 0 | 0 | 0 | 112.9 | F222 R229 | F222-L227 HydrophobicContact CD1-CD1 3.23Å; F222-L227 HydrophobicContact CD1-CG 4.3Å; F222-L227 HydrophobicContact CE1-CD1 3.58Å; F222-L227 HydrophobicContact CG-CD1 4.19Å; L227-R229 PolarHBondContact O-N 3.4Å |
| 228 | G | 54.6 | Low | 62.4 | Low | 68 Ų | 68 | 72.2 Ų | 72.2 | 70% | 0.701 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D226 | D226-G228 PolarHBondContact O-N 3.36Å; D226-G228 VanDerWaalsContact O-N 3.16Å; D226-G228 PolarHBondContact OD1-N 2.82Å |
| 229 | R | 54.7 | Low | 60.8 | Low | 159 Ų | 159 | 77 Ų | 77 | 60% | 0.6 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -125.6 | 78.2 | 173.7 | -71.7 | -176.1 | 174.2 | -171.8 | -1.8 | 111.4 | D226 L227 T231 | D226-R229 PolarHBondContact O-N 2.7Å; L227-R229 PolarHBondContact O-N 3.4Å; R229-T231 VanDerWaalsContact C-N 3.29Å; R229-T231 PolarHBondContact O-N 3.05Å |
| 230 | P | 58.8 | Low | 59.2 | Low | 105 Ų | 105 | 79.8 Ų | 79.8 | 68% | 0.682 | 42% | 0.42 | S | S | * | . | trans | -71.2 | 84.9 | 175.7 | 31.1 | -33.8 | 0 | 0 | 0 | 109.8 | ||||
| 231 | T | 56.8 | Low | 57.9 | Low | 64 Ų | 64 | 79.4 Ų | 79.4 | 39% | 0.393 | 42% | 0.42 | S | S | . | . | trans | -70.6 | 152.3 | 166.8 | 55.3 | 0 | 0 | 0 | 0 | 109.1 | R229 N233 C234 | R229-T231 VanDerWaalsContact C-N 3.29Å; R229-T231 PolarHBondContact O-N 3.05Å; T231-N233 PolarHBondContact O-N 3.01Å; T231-N233 VanDerWaalsContact O-N 3.14Å; T231-C234 VanDerWaalsContact O-CA 3.31Å; T231-C234 WeakPolarHBondContact O-CA 3.48Å; T231-C234 WeakPolarHBondContact O-CB 3.32Å; T231-C234 PolarHBondContact O-N 3.17Å; T231-C234 PolarHBondContact OG1-N 3.36Å; T231-C234 VanDerWaalsContact OG1-N 3.17Å | ||
| 232 | T | 56.8 | Low | 57.1 | Low | 118 Ų | 118 | 86.1 Ų | 86.1 | 72% | 0.724 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.9 | -27.2 | 171.7 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | C234 R236 | T232-C234 VanDerWaalsContact C-N 3.3Å; T232-C234 PolarHBondContact O-N 3.09Å; T232-R236 PolarHBondContact O-N 3.13Å |
| 233 | N | 55.3 | Low | 56.5 | Low | 85 Ų | 85 | 86 Ų | 86 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.2 | -24 | 167.8 | -71.5 | -36 | 0 | 0 | 0 | 113.6 | T231 K237 | T231-N233 PolarHBondContact O-N 3.01Å; T231-N233 VanDerWaalsContact O-N 3.14Å; N233-K237 WeakPolarHBondContact O-CA 3.39Å; N233-K237 WeakPolarHBondContact O-CB 3.4Å; N233-K237 WeakPolarHBondContact O-CG 3.31Å; N233-K237 PolarHBondContact O-N 2.85Å |
| 234 | C | 48.2 | Very low | 56.3 | Low | 7 Ų | 7 | 84.8 Ų | 84.8 | 5% | 0.047 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.5 | -53.4 | 173.5 | -173 | 0 | 0 | 0 | 0 | 110.1 | T231 T232 R236 K237 C238 R323 | T231-C234 VanDerWaalsContact O-CA 3.31Å; T231-C234 WeakPolarHBondContact O-CA 3.48Å; T231-C234 WeakPolarHBondContact O-CB 3.32Å; T231-C234 PolarHBondContact O-N 3.17Å; T231-C234 PolarHBondContact OG1-N 3.36Å; T231-C234 VanDerWaalsContact OG1-N 3.17Å; T232-C234 VanDerWaalsContact C-N 3.3Å; T232-C234 PolarHBondContact O-N 3.09Å; C234-R236 VanDerWaalsContact C-N 3.33Å; C234-R236 PolarHBondContact O-N 3.02Å; C234-K237 CarbonylContact O-C 3.53Å; C234-K237 PolarHBondContact O-N 3.46Å; C234-C238 WeakPolarHBondContact O-CA 3.44Å; C234-C238 WeakPolarHBondContact O-CB 3.28Å; C234-C238 PolarHBondContact O-N 2.94Å; C234-C238 PolarHBondContact O-SG 3.26Å; C234-R323 PolarHBondContact SG-NH1 3.44Å |
| 235 | I | 56.1 | Low | 56.3 | Low | 126 Ų | 126 | 85 Ų | 85 | 65% | 0.646 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 178.8 | -60.5 | 173.6 | 0 | 0 | 0 | 110.1 | K237 C238 V239 | I235-K237 VanDerWaalsContact C-N 3.35Å; I235-K237 PolarHBondContact O-N 3.11Å; I235-C238 PolarHBondContact O-N 2.85Å; I235-V239 WeakPolarHBondContact O-CB 3.32Å; I235-V239 VanDerWaalsContact O-CG2 3.25Å; I235-V239 WeakPolarHBondContact O-CG2 3.37Å; I235-V239 PolarHBondContact O-N 3.16Å |
| 236 | R | 52.3 | Low | 56.8 | Low | 180 Ų | 180 | 87.5 Ų | 87.5 | 68% | 0.679 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.9 | -34.6 | 179.7 | -152.6 | 175.9 | -167.4 | 178.3 | 5.3 | 112.9 | T232 C234 K240 | T232-R236 PolarHBondContact O-N 3.13Å; C234-R236 VanDerWaalsContact C-N 3.33Å; C234-R236 PolarHBondContact O-N 3.02Å; R236-K240 WeakPolarHBondContact O-CB 3.33Å; R236-K240 WeakPolarHBondContact O-CG 3.39Å; R236-K240 PolarHBondContact O-N 3.1Å; R236-K240 VanDerWaalsContact O-N 3.09Å |
| 237 | K | 50 | Low | 57.7 | Low | 113 Ų | 113 | 85.8 Ų | 85.8 | 49% | 0.491 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -78.8 | -30 | 174.5 | -74.2 | 177.2 | 178.3 | -174.9 | 0 | 111.9 | N233 C234 I235 K240 L241 | N233-K237 WeakPolarHBondContact O-CA 3.39Å; N233-K237 WeakPolarHBondContact O-CB 3.4Å; N233-K237 WeakPolarHBondContact O-CG 3.31Å; N233-K237 PolarHBondContact O-N 2.85Å; C234-K237 CarbonylContact O-C 3.53Å; C234-K237 PolarHBondContact O-N 3.46Å; I235-K237 VanDerWaalsContact C-N 3.35Å; I235-K237 PolarHBondContact O-N 3.11Å; K237-K240 CarbonylContact O-C 3.46Å; K237-K240 PolarHBondContact O-N 3.04Å; K237-L241 VanDerWaalsContact O-CB 3.29Å; K237-L241 WeakPolarHBondContact O-CB 3.26Å; K237-L241 PolarHBondContact O-N 2.86Å |
| 238 | C | 50.1 | Low | 58.8 | Low | 18 Ų | 18 | 82.3 Ų | 82.3 | 12% | 0.122 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 172.6 | -77.3 | 0 | 0 | 0 | 0 | 110.7 | C234 I235 K240 L241 L245 | C234-C238 WeakPolarHBondContact O-CA 3.44Å; C234-C238 WeakPolarHBondContact O-CB 3.28Å; C234-C238 PolarHBondContact O-N 2.94Å; C234-C238 PolarHBondContact O-SG 3.26Å; I235-C238 PolarHBondContact O-N 2.85Å; C238-K240 VanDerWaalsContact C-N 3.33Å; C238-L241 CarbonylContact O-C 3.5Å; C238-L241 VanDerWaalsContact O-O 3.1Å; C238-L245 HydrophobicContact CB-CB 3.84Å; C238-L245 HydrophobicContact CB-CD1 3.84Å; C238-L245 HydrophobicContact CB-CD2 3.8Å; C238-L245 HydrophobicContact CB-CG 3.99Å; C238-L245 VanDerWaalsContact O-CB 3.24Å; C238-L245 WeakPolarHBondContact O-CB 3.4Å |
| 239 | V | 50.2 | Low | 60.3 | Low | 103 Ų | 103 | 82.4 Ų | 82.4 | 62% | 0.624 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68.7 | -32.1 | 169.6 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | I235 | I235-V239 WeakPolarHBondContact O-CB 3.32Å; I235-V239 VanDerWaalsContact O-CG2 3.25Å; I235-V239 WeakPolarHBondContact O-CG2 3.37Å; I235-V239 PolarHBondContact O-N 3.16Å |
| 240 | K | 49.7 | Very low | 61.9 | Low | 163 Ų | 163 | 76.8 Ų | 76.8 | 71% | 0.709 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -81.8 | -29.3 | 174.3 | -76 | -175.4 | 174.6 | -167.9 | 0 | 114.4 | R236 K237 C238 Q242 | R236-K240 WeakPolarHBondContact O-CB 3.33Å; R236-K240 WeakPolarHBondContact O-CG 3.39Å; R236-K240 PolarHBondContact O-N 3.1Å; R236-K240 VanDerWaalsContact O-N 3.09Å; K237-K240 CarbonylContact O-C 3.46Å; K237-K240 PolarHBondContact O-N 3.04Å; C238-K240 VanDerWaalsContact C-N 3.33Å; K240-Q242 PolarHBondContact O-N 3.49Å |
| 241 | L | 51.9 | Low | 63.4 | Low | 55 Ų | 55 | 72.1 Ų | 72.1 | 29% | 0.288 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -81.9 | 70.9 | 168.6 | -107.6 | 91.4 | 0 | 0 | 0 | 107.1 | F225 K237 C238 N243 G244 L245 H321 | F225-L241 HydrophobicContact CE1-CD2 4.36Å; K237-L241 VanDerWaalsContact O-CB 3.29Å; K237-L241 WeakPolarHBondContact O-CB 3.26Å; K237-L241 PolarHBondContact O-N 2.86Å; C238-L241 CarbonylContact O-C 3.5Å; C238-L241 VanDerWaalsContact O-O 3.1Å; L241-N243 PolarHBondContact O-N 3.49Å; L241-G244 PolarHBondContact O-N 3.24Å; L241-G244 VanDerWaalsContact O-N 3.16Å; L241-L245 PolarHBondContact O-N 3.38Å; L241-H321 HydrophobicContact CD1-CB 4.46Å; L241-H321 HydrophobicContact CD2-CB 4.26Å |
| 242 | Q | 59.3 | Low | 65 | Low | 152 Ų | 152 | 72.9 Ų | 72.9 | 71% | 0.71 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -27.2 | -175.9 | -171.2 | 172.4 | -9.2 | 0 | 0 | 113 | K240 M246 | K240-Q242 PolarHBondContact O-N 3.49Å; Q242-M246 WeakPolarHBondContact O-CB 3.48Å; Q242-M246 WeakPolarHBondContact O-CG 3.43Å |
| 243 | N | 63.4 | Low | 66.8 | Low | 66 Ų | 66 | 70.2 Ų | 70.2 | 35% | 0.353 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -34.7 | -176.5 | -61.6 | -4.2 | 0 | 0 | 0 | 113.2 | L241 A247 L316 | L241-N243 PolarHBondContact O-N 3.49Å; N243-A247 WeakPolarHBondContact O-CB 3.37Å; N243-A247 PolarHBondContact O-N 3.48Å; N243-A247 VanDerWaalsContact O-N 3.1Å; N243-L316 PolarHBondContact ND2-O 3.44Å |
| 244 | G | 64.4 | Low | 68.5 | Low | 9 Ų | 9 | 66.2 Ų | 66.2 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -77.2 | -48.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F225 L241 M246 A247 I248 | F225-G244 VanDerWaalsContact CZ-CA 3.41Å; F225-G244 WeakPolarHBondContact CZ-O 3.31Å; L241-G244 PolarHBondContact O-N 3.24Å; L241-G244 VanDerWaalsContact O-N 3.16Å; G244-M246 VanDerWaalsContact C-N 3.3Å; G244-M246 PolarHBondContact O-N 3.06Å; G244-A247 WeakPolarHBondContact O-CB 3.27Å; G244-A247 PolarHBondContact O-N 3.45Å; G244-I248 PolarHBondContact O-N 3.46Å |
| 245 | L | 68 | Low | 70.7 | Confident | 49 Ų | 49 | 68.1 Ų | 68.1 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 176 | 179.1 | 68.2 | 0 | 0 | 0 | 111 | C238 L241 A247 I248 I249 | C238-L245 HydrophobicContact CB-CB 3.84Å; C238-L245 HydrophobicContact CB-CD1 3.84Å; C238-L245 HydrophobicContact CB-CD2 3.8Å; C238-L245 HydrophobicContact CB-CG 3.99Å; C238-L245 VanDerWaalsContact O-CB 3.24Å; C238-L245 WeakPolarHBondContact O-CB 3.4Å; L241-L245 PolarHBondContact O-N 3.38Å; L245-A247 VanDerWaalsContact C-N 3.28Å; L245-A247 PolarHBondContact O-N 3.4Å; L245-I248 WeakPolarHBondContact O-CB 3.42Å; L245-I248 PolarHBondContact O-N 3.3Å; L245-I248 VanDerWaalsContact O-N 3.11Å; L245-I249 HydrophobicContact CD1-CD1 4.5Å; L245-I249 HydrophobicContact CD2-CD1 4.27Å; L245-I249 HydrophobicContact CG-CD1 3.95Å; L245-I249 HydrophobicContact CG-CG1 4.48Å; L245-I249 WeakPolarHBondContact O-CG1 3.19Å; L245-I249 PolarHBondContact O-N 2.94Å |
| 246 | M | 73.6 | Confident | 72.5 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 36% | 0.36 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 177.3 | -68.9 | -58.3 | -61.6 | 0 | 0 | 111.2 | Q242 G244 I248 I249 F250 | Q242-M246 WeakPolarHBondContact O-CB 3.48Å; Q242-M246 WeakPolarHBondContact O-CG 3.43Å; G244-M246 VanDerWaalsContact C-N 3.3Å; G244-M246 PolarHBondContact O-N 3.06Å; M246-I248 PolarHBondContact O-N 2.97Å; M246-I249 PolarHBondContact O-N 3.2Å; M246-I249 HydrophobicContact SD-CD1 4.21Å; M246-F250 HydrophobicContact CB-CD2 4.26Å; M246-F250 HydrophobicContact CB-CE2 3.93Å; M246-F250 HydrophobicContact CE-CE1 4.08Å; M246-F250 HydrophobicContact CE-CE2 3.67Å; M246-F250 HydrophobicContact CE-CZ 3.36Å; M246-F250 WeakPolarHBondContact O-CB 3.39Å; M246-F250 WeakPolarHBondContact O-CD2 3.4Å; M246-F250 VanDerWaalsContact O-CG 3.31Å; M246-F250 WeakPolarHBondContact O-CG 3.48Å; M246-F250 PolarHBondContact O-N 3.22Å |
| 247 | A | 78.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | N243 G244 L245 I249 F250 Y251 T310 V314 | N243-A247 WeakPolarHBondContact O-CB 3.37Å; N243-A247 PolarHBondContact O-N 3.48Å; N243-A247 VanDerWaalsContact O-N 3.1Å; G244-A247 WeakPolarHBondContact O-CB 3.27Å; G244-A247 PolarHBondContact O-N 3.45Å; L245-A247 VanDerWaalsContact C-N 3.28Å; L245-A247 PolarHBondContact O-N 3.4Å; A247-I249 PolarHBondContact O-N 3.23Å; A247-F250 PolarHBondContact O-N 3.45Å; A247-Y251 WeakPolarHBondContact O-CB 3.4Å; A247-Y251 PolarHBondContact O-N 3.24Å; A247-T310 HydrophobicContact CB-CG2 4.15Å; A247-T310 WeakPolarHBondContact O-CG2 3.47Å; A247-V314 HydrophobicContact CB-CG2 3.73Å |
| 248 | I | 82.4 | Confident | 76.6 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.8 | -56.3 | 171.1 | 0 | 0 | 0 | 110.8 | V221 F222 F225 G244 L245 M246 Y251 M252 | V221-I248 HydrophobicContact CG1-CG1 4Å; F222-I248 HydrophobicContact CD1-CG2 4.41Å; F222-I248 HydrophobicContact CE1-CG2 3.75Å; F225-I248 HydrophobicContact CB-CD1 3.86Å; F225-I248 HydrophobicContact CD1-CD1 4.15Å; F225-I248 HydrophobicContact CD2-CD1 3.24Å; F225-I248 HydrophobicContact CD2-CG1 3.46Å; F225-I248 VanDerWaalsContact CD2-CG1 3.46Å; F225-I248 HydrophobicContact CE2-CD1 3.78Å; F225-I248 HydrophobicContact CE2-CG1 3.56Å; F225-I248 HydrophobicContact CG-CD1 3.48Å; F225-I248 VanDerWaalsContact CG-CD1 3.48Å; F225-I248 HydrophobicContact CG-CG1 4.21Å; F225-I248 HydrophobicContact CZ-CD1 4.43Å; F225-I248 HydrophobicContact CZ-CG1 4.36Å; G244-I248 PolarHBondContact O-N 3.46Å; L245-I248 WeakPolarHBondContact O-CB 3.42Å; L245-I248 PolarHBondContact O-N 3.3Å; L245-I248 VanDerWaalsContact O-N 3.11Å; M246-I248 PolarHBondContact O-N 2.97Å; I248-Y251 PolarHBondContact O-N 2.85Å; I248-M252 HydrophobicContact CG2-CG 4.34Å; I248-M252 WeakPolarHBondContact O-CB 3.23Å; I248-M252 VanDerWaalsContact O-CG 3.28Å; I248-M252 WeakPolarHBondContact O-CG 3.44Å; I248-M252 PolarHBondContact O-N 3.11Å |
| 249 | I | 86.3 | Confident | 78.7 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.1 | -48.8 | -179.4 | -67.1 | 167.4 | 0 | 0 | 0 | 110.2 | L245 M246 A247 Y251 M252 I253 | L245-I249 HydrophobicContact CD1-CD1 4.5Å; L245-I249 HydrophobicContact CD2-CD1 4.27Å; L245-I249 HydrophobicContact CG-CD1 3.95Å; L245-I249 HydrophobicContact CG-CG1 4.48Å; L245-I249 WeakPolarHBondContact O-CG1 3.19Å; L245-I249 PolarHBondContact O-N 2.94Å; M246-I249 PolarHBondContact O-N 3.2Å; M246-I249 HydrophobicContact SD-CD1 4.21Å; A247-I249 PolarHBondContact O-N 3.23Å; I249-Y251 PolarHBondContact O-N 2.75Å; I249-M252 PolarHBondContact O-N 3.48Å; I249-I253 HydrophobicContact CG2-CD1 3.93Å; I249-I253 WeakPolarHBondContact O-CG1 3.28Å; I249-I253 PolarHBondContact O-N 2.89Å |
| 250 | F | 88.6 | Confident | 80.7 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 18% | 0.18 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 178.4 | -65.4 | -46.5 | 0 | 0 | 0 | 112.3 | M246 A247 I253 A254 F306 I309 T310 | M246-F250 HydrophobicContact CB-CD2 4.26Å; M246-F250 HydrophobicContact CB-CE2 3.93Å; M246-F250 HydrophobicContact CE-CE1 4.08Å; M246-F250 HydrophobicContact CE-CE2 3.67Å; M246-F250 HydrophobicContact CE-CZ 3.36Å; M246-F250 WeakPolarHBondContact O-CB 3.39Å; M246-F250 WeakPolarHBondContact O-CD2 3.4Å; M246-F250 VanDerWaalsContact O-CG 3.31Å; M246-F250 WeakPolarHBondContact O-CG 3.48Å; M246-F250 PolarHBondContact O-N 3.22Å; A247-F250 PolarHBondContact O-N 3.45Å; F250-I253 PolarHBondContact O-N 2.87Å; F250-A254 WeakPolarHBondContact O-CB 3.43Å; F250-A254 PolarHBondContact O-N 3.43Å; F250-F306 HydrophobicContact CB-CD1 4.29Å; F250-F306 AromaticContact CD1-CD1 3.67Å; F250-F306 HydrophobicContact CD1-CD1 3.67Å; F250-F306 AromaticContact CD1-CE1 3.78Å; F250-F306 HydrophobicContact CD1-CE1 3.78Å; F250-F306 HydrophobicContact CE1-CD1 4.43Å; F250-F306 HydrophobicContact CE1-CE1 4.19Å; F250-F306 HydrophobicContact CG-CD1 4.33Å; F250-I309 HydrophobicContact CD1-CG2 4.48Å; F250-I309 HydrophobicContact CD2-CG2 3.5Å; F250-I309 VanDerWaalsContact CD2-CG2 3.5Å; F250-I309 HydrophobicContact CE1-CG2 4.5Å; F250-I309 HydrophobicContact CE2-CG2 3.52Å; F250-I309 HydrophobicContact CG-CG2 4.01Å; F250-I309 HydrophobicContact CZ-CG2 4.03Å; F250-T310 WeakPolarHBondContact CB-OG1 3.37Å |
| 251 | Y | 89.4 | Confident | 82.7 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -46.6 | 172.5 | 172.7 | -95.2 | 0 | 0 | 0 | 111.3 | F155 L214 I217 G218 F222 A247 I248 I249 I253 A254 F255 T310 | F155-Y251 HydrophobicContact CE2-CD2 4.34Å; L214-Y251 HydrophobicContact CD2-CD2 4.38Å; L214-Y251 HydrophobicContact CD2-CE2 3.82Å; L214-Y251 PolarHBondContact O-OH 2.79Å; I217-Y251 HydrophobicContact CG2-CE2 4.22Å; G218-Y251 VanDerWaalsContact CA-OH 3.27Å; G218-Y251 WeakPolarHBondContact CA-OH 3.43Å; G218-Y251 PolarHBondContact N-OH 3.27Å; F222-Y251 HydrophobicContact CE2-CE1 4.26Å; A247-Y251 WeakPolarHBondContact O-CB 3.4Å; A247-Y251 PolarHBondContact O-N 3.24Å; I248-Y251 PolarHBondContact O-N 2.85Å; I249-Y251 PolarHBondContact O-N 2.75Å; Y251-I253 PolarHBondContact O-N 2.89Å; Y251-A254 WeakPolarHBondContact O-CB 3.43Å; Y251-A254 PolarHBondContact O-N 3.2Å; Y251-F255 WeakPolarHBondContact O-CB 3.28Å; Y251-F255 PolarHBondContact O-N 3.48Å; Y251-T310 PolarHBondContact N-OG1 3.3Å |
| 252 | M | 90.9 | Very high | 84.5 | Confident | 79 Ų | 79 | 45.4 Ų | 45.4 | 39% | 0.389 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 179.1 | -75.9 | -60.6 | -72.7 | 0 | 0 | 112.1 | F222 I248 I249 F255 V256 | F222-M252 HydrophobicContact CE2-SD 4.4Å; F222-M252 HydrophobicContact CZ-CG 4.35Å; F222-M252 HydrophobicContact CZ-SD 3.61Å; I248-M252 HydrophobicContact CG2-CG 4.34Å; I248-M252 WeakPolarHBondContact O-CB 3.23Å; I248-M252 VanDerWaalsContact O-CG 3.28Å; I248-M252 WeakPolarHBondContact O-CG 3.44Å; I248-M252 PolarHBondContact O-N 3.11Å; I249-M252 PolarHBondContact O-N 3.48Å; M252-F255 PolarHBondContact O-N 3.31Å; M252-V256 VanDerWaalsContact O-CG2 3.32Å; M252-V256 WeakPolarHBondContact O-CG2 3.32Å; M252-V256 PolarHBondContact O-N 2.67Å |
| 253 | I | 93.1 | Very high | 86 | Confident | 62 Ų | 62 | 46.3 Ų | 46.3 | 32% | 0.318 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 174.4 | -66.3 | 165.6 | 0 | 0 | 0 | 110.3 | I249 F250 Y251 F255 V256 I257 F306 | I249-I253 HydrophobicContact CG2-CD1 3.93Å; I249-I253 WeakPolarHBondContact O-CG1 3.28Å; I249-I253 PolarHBondContact O-N 2.89Å; F250-I253 PolarHBondContact O-N 2.87Å; Y251-I253 PolarHBondContact O-N 2.89Å; I253-F255 VanDerWaalsContact C-N 3.29Å; I253-F255 PolarHBondContact O-N 3.47Å; I253-V256 PolarHBondContact O-N 2.77Å; I253-I257 HydrophobicContact CG2-CD1 3.73Å; I253-I257 HydrophobicContact CG2-CG1 4.39Å; I253-I257 VanDerWaalsContact O-CG1 3.28Å; I253-I257 WeakPolarHBondContact O-CG1 3.22Å; I253-I257 PolarHBondContact O-N 3.13Å; I253-F306 HydrophobicContact CD1-CE1 4.32Å; I253-F306 HydrophobicContact CG2-CD1 4.22Å; I253-F306 HydrophobicContact CG2-CD2 3.73Å; I253-F306 HydrophobicContact CG2-CE1 4.08Å; I253-F306 HydrophobicContact CG2-CE2 3.59Å; I253-F306 HydrophobicContact CG2-CG 4.07Å; I253-F306 HydrophobicContact CG2-CZ 3.77Å |
| 254 | A | 92.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F250 Y251 I257 H258 F306 I307 | F250-A254 WeakPolarHBondContact O-CB 3.43Å; F250-A254 PolarHBondContact O-N 3.43Å; Y251-A254 WeakPolarHBondContact O-CB 3.43Å; Y251-A254 PolarHBondContact O-N 3.2Å; A254-I257 PolarHBondContact O-N 3.48Å; A254-H258 WeakPolarHBondContact O-CB 3.36Å; A254-H258 PolarHBondContact O-N 3.31Å; A254-F306 HydrophobicContact CB-CB 3.84Å; A254-I307 HydrophobicContact CB-CG1 3.98Å |
| 255 | F | 92.7 | Very high | 88.5 | Confident | 47 Ų | 47 | 44.4 Ų | 44.4 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 177.3 | -172 | -102.8 | 0 | 0 | 0 | 111.7 | Y211 L214 Y251 M252 I253 H258 N259 | Y211-F255 HydrophobicContact CD2-CE2 4.27Å; Y211-F255 HydrophobicContact CD2-CZ 4.45Å; Y211-F255 AromaticContact CE2-CE2 3.99Å; Y211-F255 HydrophobicContact CE2-CE2 3.99Å; Y211-F255 AromaticContact CE2-CZ 3.76Å; Y211-F255 HydrophobicContact CE2-CZ 3.76Å; L214-F255 HydrophobicContact CB-CD2 4.03Å; L214-F255 HydrophobicContact CB-CE2 4.45Å; Y251-F255 WeakPolarHBondContact O-CB 3.28Å; Y251-F255 PolarHBondContact O-N 3.48Å; M252-F255 PolarHBondContact O-N 3.31Å; I253-F255 VanDerWaalsContact C-N 3.29Å; I253-F255 PolarHBondContact O-N 3.47Å; F255-H258 PolarHBondContact O-N 3.26Å; F255-N259 WeakPolarHBondContact CD1-ND2 3.24Å; F255-N259 WeakPolarHBondContact CE1-ND2 3.31Å; F255-N259 WeakPolarHBondContact CZ-ND2 3.34Å; F255-N259 PolarHBondContact O-N 2.88Å; F255-N259 PolarHBondContact O-ND2 3.22Å |
| 256 | V | 94.5 | Very high | 89.6 | Confident | 92 Ų | 92 | 48 Ų | 48 | 56% | 0.558 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.5 | -44.8 | 177 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | M252 I253 H258 N259 S260 | M252-V256 VanDerWaalsContact O-CG2 3.32Å; M252-V256 WeakPolarHBondContact O-CG2 3.32Å; M252-V256 PolarHBondContact O-N 2.67Å; I253-V256 PolarHBondContact O-N 2.77Å; V256-H258 VanDerWaalsContact C-N 3.34Å; V256-H258 PolarHBondContact O-N 2.88Å; V256-N259 PolarHBondContact O-N 3.29Å; V256-S260 PolarHBondContact O-N 3.13Å |
| 257 | I | 94.5 | Very high | 90.3 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 11% | 0.108 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 176.2 | -67.9 | 167.4 | 0 | 0 | 0 | 110.5 | I253 A254 N259 S260 M261 L299 C302 R303 F306 | I253-I257 HydrophobicContact CG2-CD1 3.73Å; I253-I257 HydrophobicContact CG2-CG1 4.39Å; I253-I257 VanDerWaalsContact O-CG1 3.28Å; I253-I257 WeakPolarHBondContact O-CG1 3.22Å; I253-I257 PolarHBondContact O-N 3.13Å; A254-I257 PolarHBondContact O-N 3.48Å; I257-N259 VanDerWaalsContact C-N 3.33Å; I257-N259 PolarHBondContact O-N 2.75Å; I257-S260 PolarHBondContact O-N 3.12Å; I257-S260 PolarHBondContact O-OG 3.42Å; I257-M261 HydrophobicContact CG2-SD 4.23Å; I257-M261 WeakPolarHBondContact O-CG 3.41Å; I257-M261 PolarHBondContact O-N 3.3Å; I257-M261 VanDerWaalsContact O-N 3.07Å; I257-L299 HydrophobicContact CG2-CB 4.11Å; I257-L299 HydrophobicContact CG2-CD2 4.09Å; I257-L299 WeakPolarHBondContact CG2-O 3.49Å; I257-C302 HydrophobicContact CD1-CB 4.09Å; I257-R303 HydrophobicContact CG2-CB 3.86Å; I257-F306 HydrophobicContact CD1-CD2 3.64Å; I257-F306 HydrophobicContact CD1-CE2 3.82Å |
| 258 | H | 94 | Very high | 90.9 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 179.5 | 179.4 | 49.2 | 0 | 0 | 0 | 112.3 | S207 F210 Y211 L214 A254 F255 V256 S260 M261 R303 | S207-H258 PolarHBondContact O-CE1 3.11Å; S207-H258 VanDerWaalsContact O-CE1 3.25Å; S207-H258 PolarHBondContact O-NE2 3.39Å; S207-H258 VanDerWaalsContact O-NE2 3.13Å; F210-H258 VanDerWaalsContact CB-CE1 3.41Å; F210-H258 WeakPolarHBondContact CB-CE1 3.48Å; Y211-H258 VanDerWaalsContact CA-NE2 3.29Å; Y211-H258 WeakPolarHBondContact CA-NE2 3.38Å; Y211-H258 WeakPolarHBondContact CB-NE2 3.12Å; Y211-H258 PolarHBondContact N-NE2 3.48Å; L214-H258 HydrophobicContact CD1-CB 3.75Å; A254-H258 WeakPolarHBondContact O-CB 3.36Å; A254-H258 PolarHBondContact O-N 3.31Å; F255-H258 PolarHBondContact O-N 3.26Å; V256-H258 VanDerWaalsContact C-N 3.34Å; V256-H258 PolarHBondContact O-N 2.88Å; H258-S260 VanDerWaalsContact C-N 3.34Å; H258-S260 PolarHBondContact O-N 3.44Å; H258-M261 WeakPolarHBondContact O-CB 3.42Å; H258-M261 PolarHBondContact O-N 3.28Å; H258-R303 HydrophobicContact CB-CG 4.5Å; H258-R303 PolarHBondContact ND1-NH1 3.48Å |
| 259 | N | 93.3 | Very high | 91.3 | Very high | 74 Ų | 74 | 47.4 Ų | 47.4 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.7 | -36.5 | 175.8 | -78.9 | -86.2 | 0 | 0 | 0 | 112.3 | Y211 F255 V256 I257 M261 G262 | Y211-N259 WeakPolarHBondContact CE2-OD1 3.3Å; F255-N259 WeakPolarHBondContact CD1-ND2 3.24Å; F255-N259 WeakPolarHBondContact CE1-ND2 3.31Å; F255-N259 WeakPolarHBondContact CZ-ND2 3.34Å; F255-N259 PolarHBondContact O-N 2.88Å; F255-N259 PolarHBondContact O-ND2 3.22Å; V256-N259 PolarHBondContact O-N 3.29Å; I257-N259 VanDerWaalsContact C-N 3.33Å; I257-N259 PolarHBondContact O-N 2.75Å; N259-M261 VanDerWaalsContact C-N 3.26Å; N259-M261 PolarHBondContact O-N 2.94Å; N259-G262 PolarHBondContact O-N 2.7Å |
| 260 | S | 92.6 | Very high | 91.5 | Very high | 58 Ų | 58 | 47 Ų | 47 | 41% | 0.406 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.4 | -24.3 | 176.8 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | V256 I257 H258 G262 | V256-S260 PolarHBondContact O-N 3.13Å; I257-S260 PolarHBondContact O-N 3.12Å; I257-S260 PolarHBondContact O-OG 3.42Å; H258-S260 VanDerWaalsContact C-N 3.34Å; H258-S260 PolarHBondContact O-N 3.44Å; S260-G262 VanDerWaalsContact C-N 3.29Å; S260-G262 PolarHBondContact O-N 2.86Å |
| 261 | M | 92.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.3 | -20.8 | 174.2 | -69.4 | 173.8 | 75.4 | 0 | 0 | 113.7 | I257 H258 N259 W263 F264 D265 W296 L299 D300 R303 | I257-M261 HydrophobicContact CG2-SD 4.23Å; I257-M261 WeakPolarHBondContact O-CG 3.41Å; I257-M261 PolarHBondContact O-N 3.3Å; I257-M261 VanDerWaalsContact O-N 3.07Å; H258-M261 WeakPolarHBondContact O-CB 3.42Å; H258-M261 PolarHBondContact O-N 3.28Å; N259-M261 VanDerWaalsContact C-N 3.26Å; N259-M261 PolarHBondContact O-N 2.94Å; M261-W263 VanDerWaalsContact C-N 3.26Å; M261-W263 PolarHBondContact O-N 3.42Å; M261-W263 VanDerWaalsContact O-N 3.15Å; M261-F264 WeakPolarHBondContact O-CB 3.37Å; M261-F264 PolarHBondContact O-N 2.93Å; M261-D265 PolarHBondContact O-N 2.65Å; M261-W296 HydrophobicContact CE-CD2 4.3Å; M261-W296 HydrophobicContact CE-CG 4.32Å; M261-W296 HydrophobicContact CE-CZ2 4.17Å; M261-W296 VanDerWaalsContact CE-NE1 3.32Å; M261-L299 HydrophobicContact CG-CB 3.76Å; M261-L299 HydrophobicContact CG-CD1 4.12Å; M261-L299 HydrophobicContact SD-CB 3.96Å; M261-D300 HydrophobicContact CE-CB 3.7Å; M261-R303 HydrophobicContact SD-CB 4.46Å |
| 262 | G | 90.3 | Very high | 91.5 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.7 | -32.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N259 S260 Y266 | N259-G262 PolarHBondContact O-N 2.7Å; S260-G262 VanDerWaalsContact C-N 3.29Å; S260-G262 PolarHBondContact O-N 2.86Å; G262-Y266 PolarHBondContact O-N 3.37Å |
| 263 | W | 89.2 | Confident | 91.5 | Very high | 171 Ų | 171 | 49.3 Ų | 49.3 | 65% | 0.648 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.8 | -41.1 | 174 | 178.2 | -102.9 | 0 | 0 | 0 | 112.4 | M261 Y266 I267 | M261-W263 VanDerWaalsContact C-N 3.26Å; M261-W263 PolarHBondContact O-N 3.42Å; M261-W263 VanDerWaalsContact O-N 3.15Å; W263-Y266 HydrophobicContact CZ3-CD1 4.48Å; W263-Y266 WeakPolarHBondContact O-CB 3.32Å; W263-Y266 PolarHBondContact O-N 3.16Å; W263-I267 HydrophobicContact CZ2-CD1 4.37Å; W263-I267 WeakPolarHBondContact O-CG1 3.42Å; W263-I267 PolarHBondContact O-N 3.42Å; W263-I267 VanDerWaalsContact O-N 3.15Å |
| 264 | F | 91.9 | Very high | 91.4 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 13% | 0.132 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68 | -40.6 | 178.5 | -62.6 | -87.6 | 0 | 0 | 0 | 111.6 | M261 Y266 I267 F268 F292 I295 W296 L299 | M261-F264 WeakPolarHBondContact O-CB 3.37Å; M261-F264 PolarHBondContact O-N 2.93Å; F264-Y266 PolarHBondContact O-N 2.87Å; F264-I267 WeakPolarHBondContact O-CA 2.96Å; F264-I267 WeakPolarHBondContact O-CB 3.37Å; F264-I267 PolarHBondContact O-N 3.25Å; F264-F268 WeakPolarHBondContact O-CD1 3.29Å; F264-F268 PolarHBondContact O-N 3.09Å; F264-F292 HydrophobicContact CD1-CB 4.07Å; F264-F292 HydrophobicContact CE1-CB 3.88Å; F264-F292 HydrophobicContact CE1-CD1 4.16Å; F264-F292 HydrophobicContact CE1-CG 4.27Å; F264-I295 HydrophobicContact CE1-CB 4.45Å; F264-I295 HydrophobicContact CE1-CG2 4.27Å; F264-I295 HydrophobicContact CZ-CB 4.48Å; F264-I295 HydrophobicContact CZ-CG2 3.83Å; F264-W296 HydrophobicContact CB-CB 4.11Å; F264-W296 HydrophobicContact CB-CG 3.97Å; F264-W296 HydrophobicContact CD1-CB 4.01Å; F264-W296 HydrophobicContact CG-CB 4.06Å; F264-W296 AromaticContact CG-CD1 3.96Å; F264-W296 HydrophobicContact CG-CG 4.39Å; F264-L299 HydrophobicContact CD2-CD1 4.42Å; F264-L299 HydrophobicContact CE2-CD1 3.86Å; F264-L299 HydrophobicContact CZ-CD1 4.42Å |
| 265 | D | 89.9 | Confident | 91.3 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 177 | -64.5 | -27.9 | 0 | 0 | 0 | 111.3 | A203 S207 M261 F268 H269 W296 | A203-D265 HydrophobicContact CB-CB 4.29Å; S207-D265 WeakPolarHBondContact CB-OD2 3.47Å; S207-D265 PolarHBondContact OG-OD2 3.1Å; M261-D265 PolarHBondContact O-N 2.65Å; D265-F268 PolarHBondContact O-N 3.24Å; D265-H269 WeakPolarHBondContact O-CB 3.24Å; D265-H269 PolarHBondContact O-N 2.79Å; D265-H269 VanDerWaalsContact O-N 3.08Å; D265-W296 PolarHBondContact OD1-NE1 3.11Å |
| 266 | Y | 89.7 | Confident | 91 | Very high | 125 Ų | 125 | 53.5 Ų | 53.5 | 49% | 0.49 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 171 | 173.6 | -101.1 | 0 | 0 | 0 | 112.2 | G262 W263 F264 F268 H269 V270 | G262-Y266 PolarHBondContact O-N 3.37Å; W263-Y266 HydrophobicContact CZ3-CD1 4.48Å; W263-Y266 WeakPolarHBondContact O-CB 3.32Å; W263-Y266 PolarHBondContact O-N 3.16Å; F264-Y266 PolarHBondContact O-N 2.87Å; Y266-F268 VanDerWaalsContact C-N 3.28Å; Y266-F268 PolarHBondContact O-N 2.86Å; Y266-H269 PolarHBondContact O-N 2.87Å; Y266-V270 HydrophobicContact CD1-CG2 4.41Å; Y266-V270 HydrophobicContact CD2-CG2 4.26Å; Y266-V270 HydrophobicContact CE1-CG2 3.94Å; Y266-V270 HydrophobicContact CE2-CG2 3.78Å; Y266-V270 WeakPolarHBondContact O-CG2 3.1Å; Y266-V270 PolarHBondContact O-N 3.31Å |
| 267 | I | 89.2 | Confident | 90.7 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.205 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 175.9 | -64.9 | -62.6 | 0 | 0 | 0 | 111.2 | W263 F264 N271 L289 | W263-I267 HydrophobicContact CZ2-CD1 4.37Å; W263-I267 WeakPolarHBondContact O-CG1 3.42Å; W263-I267 PolarHBondContact O-N 3.42Å; W263-I267 VanDerWaalsContact O-N 3.15Å; F264-I267 WeakPolarHBondContact O-CA 2.96Å; F264-I267 WeakPolarHBondContact O-CB 3.37Å; F264-I267 PolarHBondContact O-N 3.25Å; I267-N271 WeakPolarHBondContact CG2-ND2 3.49Å; I267-N271 WeakPolarHBondContact O-CB 3.48Å; I267-N271 PolarHBondContact O-N 2.9Å; I267-N271 VanDerWaalsContact O-N 3.12Å; I267-N271 PolarHBondContact O-ND2 2.97Å; I267-L289 HydrophobicContact CG2-CD1 3.97Å |
| 268 | F | 90.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 177 | -67.4 | -0.5 | 0 | 0 | 0 | 112 | L195 L196 Y199 A203 F264 D265 Y266 V270 N271 S272 L293 W296 | L195-F268 HydrophobicContact CD2-CE2 4.39Å; L195-F268 HydrophobicContact CD2-CZ 4.46Å; L196-F268 HydrophobicContact CD1-CB 4.18Å; L196-F268 HydrophobicContact CD1-CD1 3.64Å; L196-F268 HydrophobicContact CD1-CE1 4.37Å; L196-F268 HydrophobicContact CD1-CG 4.07Å; Y199-F268 HydrophobicContact CD1-CD2 4.01Å; Y199-F268 HydrophobicContact CD1-CE2 4.42Å; Y199-F268 AromaticContact CE1-CD2 3.85Å; Y199-F268 HydrophobicContact CE1-CD2 3.85Å; Y199-F268 HydrophobicContact CE1-CE2 4.18Å; A203-F268 HydrophobicContact CB-CB 4.09Å; A203-F268 HydrophobicContact CB-CD2 4.4Å; F264-F268 WeakPolarHBondContact O-CD1 3.29Å; F264-F268 PolarHBondContact O-N 3.09Å; D265-F268 PolarHBondContact O-N 3.24Å; Y266-F268 VanDerWaalsContact C-N 3.28Å; Y266-F268 PolarHBondContact O-N 2.86Å; F268-V270 PolarHBondContact O-N 3.27Å; F268-N271 PolarHBondContact O-N 2.67Å; F268-S272 WeakPolarHBondContact O-CB 3.37Å; F268-S272 PolarHBondContact O-N 3.43Å; F268-L293 HydrophobicContact CD1-CD2 4.06Å; F268-L293 HydrophobicContact CE1-CD2 3.18Å; F268-L293 HydrophobicContact CE1-CG 4.05Å; F268-L293 HydrophobicContact CE2-CD2 4.49Å; F268-L293 HydrophobicContact CZ-CD2 3.46Å; F268-L293 VanDerWaalsContact CZ-CD2 3.46Å; F268-W296 HydrophobicContact CD2-CZ2 4.4Å; F268-W296 AromaticContact CE2-CD2 3.38Å; F268-W296 HydrophobicContact CE2-CD2 3.38Å; F268-W296 AromaticContact CE2-CE2 3.43Å; F268-W296 VanDerWaalsContact CE2-CE2 3.43Å; F268-W296 AromaticContact CE2-CE3 3.55Å; F268-W296 HydrophobicContact CE2-CE3 3.55Å; F268-W296 AromaticContact CE2-CG 3.97Å; F268-W296 HydrophobicContact CE2-CG 3.97Å; F268-W296 AromaticContact CE2-CH2 3.83Å; F268-W296 HydrophobicContact CE2-CH2 3.83Å; F268-W296 AromaticContact CE2-CZ2 3.69Å; F268-W296 HydrophobicContact CE2-CZ2 3.69Å; F268-W296 AromaticContact CE2-CZ3 3.75Å; F268-W296 HydrophobicContact CE2-CZ3 3.75Å; F268-W296 AromaticContact CE2-NE1 3.92Å; F268-W296 HydrophobicContact CZ-CB 4.09Å; F268-W296 AromaticContact CZ-CD2 3.47Å; F268-W296 HydrophobicContact CZ-CD2 3.47Å; F268-W296 VanDerWaalsContact CZ-CD2 3.47Å; F268-W296 AromaticContact CZ-CE2 4Å; F268-W296 AromaticContact CZ-CE3 3.62Å; F268-W296 HydrophobicContact CZ-CE3 3.62Å; F268-W296 AromaticContact CZ-CG 3.68Å; F268-W296 HydrophobicContact CZ-CG 3.68Å; F268-W296 HydrophobicContact CZ-CZ3 4.22Å |
| 269 | H | 90.7 | Very high | 90.2 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 15% | 0.153 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 179.5 | -177.5 | 10.3 | 0 | 0 | 0 | 113 | G200 D265 Y266 S272 Y273 | G200-H269 VanDerWaalsContact O-CA 3.29Å; G200-H269 WeakPolarHBondContact O-CA 3.36Å; D265-H269 WeakPolarHBondContact O-CB 3.24Å; D265-H269 PolarHBondContact O-N 2.79Å; D265-H269 VanDerWaalsContact O-N 3.08Å; Y266-H269 PolarHBondContact O-N 2.87Å; H269-S272 PolarHBondContact O-OG 3.03Å; H269-Y273 AromaticContact CE1-CE2 3.37Å; H269-Y273 WeakPolarHBondContact CE1-CE2 3.49Å; H269-Y273 AromaticContact CE1-CZ 3.78Å; H269-Y273 PolarHBondContact CE1-OH 2.91Å; H269-Y273 AromaticContact ND1-CE2 3.38Å; H269-Y273 WeakPolarHBondContact ND1-CE2 3.48Å; H269-Y273 VanDerWaalsContact O-CD2 3.25Å; H269-Y273 WeakPolarHBondContact O-CD2 3.5Å; H269-Y273 WeakPolarHBondContact O-CE2 3.25Å |
| 270 | V | 90.8 | Very high | 89.8 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 38% | 0.376 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.3 | -40.8 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 111 | Y266 F268 | Y266-V270 HydrophobicContact CD1-CG2 4.41Å; Y266-V270 HydrophobicContact CD2-CG2 4.26Å; Y266-V270 HydrophobicContact CE1-CG2 3.94Å; Y266-V270 HydrophobicContact CE2-CG2 3.78Å; Y266-V270 WeakPolarHBondContact O-CG2 3.1Å; Y266-V270 PolarHBondContact O-N 3.31Å; F268-V270 PolarHBondContact O-N 3.27Å |
| 271 | N | 88.8 | Confident | 89.6 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -78.1 | -19.5 | -178 | -70.6 | -63.5 | 0 | 0 | 0 | 113.8 | L196 I267 F268 Y273 K274 I279 | L196-N271 HydrophobicContact CD1-CB 4.11Å; L196-N271 HydrophobicContact CD2-CB 3.44Å; L196-N271 VanDerWaalsContact CD2-CB 3.44Å; L196-N271 HydrophobicContact CG-CB 3.78Å; I267-N271 WeakPolarHBondContact CG2-ND2 3.49Å; I267-N271 WeakPolarHBondContact O-CB 3.48Å; I267-N271 PolarHBondContact O-N 2.9Å; I267-N271 VanDerWaalsContact O-N 3.12Å; I267-N271 PolarHBondContact O-ND2 2.97Å; F268-N271 PolarHBondContact O-N 2.67Å; N271-Y273 PolarHBondContact O-N 2.95Å; N271-K274 WeakPolarHBondContact O-CB 3.11Å; N271-K274 PolarHBondContact O-N 3.44Å; N271-K274 WeakPolarHBondContact OD1-CE 3.31Å; N271-K274 PolarHBondContact OD1-NZ 3.46Å; N271-I279 WeakPolarHBondContact O-CD1 3.47Å |
| 272 | S | 89.7 | Confident | 89.4 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25 | 179.6 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | L196 K197 F268 H269 K274 | L196-S272 WeakPolarHBondContact O-CA 3.4Å; L196-S272 WeakPolarHBondContact O-CB 3.33Å; K197-S272 PolarHBondContact NZ-O 3.46Å; F268-S272 WeakPolarHBondContact O-CB 3.37Å; F268-S272 PolarHBondContact O-N 3.43Å; H269-S272 PolarHBondContact O-OG 3.03Å; S272-K274 VanDerWaalsContact C-N 3.33Å |
| 273 | Y | 90.2 | Very high | 89.1 | Confident | 161 Ų | 161 | 65.2 Ų | 65.2 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -9.2 | 178.5 | -66 | -67 | 0 | 0 | 0 | 114.1 | H269 N271 | H269-Y273 AromaticContact CE1-CE2 3.37Å; H269-Y273 WeakPolarHBondContact CE1-CE2 3.49Å; H269-Y273 AromaticContact CE1-CZ 3.78Å; H269-Y273 PolarHBondContact CE1-OH 2.91Å; H269-Y273 AromaticContact ND1-CE2 3.38Å; H269-Y273 WeakPolarHBondContact ND1-CE2 3.48Å; H269-Y273 VanDerWaalsContact O-CD2 3.25Å; H269-Y273 WeakPolarHBondContact O-CD2 3.5Å; H269-Y273 WeakPolarHBondContact O-CE2 3.25Å; N271-Y273 PolarHBondContact O-N 2.95Å |
| 274 | K | 91 | Very high | 88.9 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -72.7 | 158 | 176.6 | -65.3 | -177.9 | 178.9 | 169.7 | 0 | 111.1 | K197 N271 S272 E278 I279 L282 | K197-K274 PolarHBondContact NZ-O 3Å; N271-K274 WeakPolarHBondContact O-CB 3.11Å; N271-K274 PolarHBondContact O-N 3.44Å; N271-K274 WeakPolarHBondContact OD1-CE 3.31Å; N271-K274 PolarHBondContact OD1-NZ 3.46Å; S272-K274 VanDerWaalsContact C-N 3.33Å; K274-E278 HydrophobicContact CB-CB 4.06Å; K274-E278 WeakPolarHBondContact CB-OE2 3.49Å; K274-I279 HydrophobicContact CB-CD1 4.43Å; K274-I279 HydrophobicContact CB-CG1 3.9Å; K274-L282 HydrophobicContact CD-CD1 3.55Å; K274-L282 VanDerWaalsContact NZ-CD1 3.26Å |
| 275 | S | 90.6 | Very high | 88.5 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | trans | -63.7 | 154.7 | 172.1 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | D277 E278 I279 | S275-D277 PolarHBondContact O-N 2.78Å; S275-E278 PolarHBondContact O-N 3.24Å; S275-E278 WeakPolarHBondContact OG-CB 3.45Å; S275-E278 WeakPolarHBondContact OG-CG 3.37Å; S275-E278 PolarHBondContact OG-N 3.2Å; S275-E278 PolarHBondContact OG-OE1 3.46Å; S275-I279 WeakPolarHBondContact O-CG1 3.47Å; S275-I279 PolarHBondContact O-N 3.04Å | ||
| 276 | E | 87.5 | Confident | 88.3 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.7 | -36.8 | 179.7 | -69.8 | -174.5 | -170.8 | 0 | 0 | 111.8 | I279 R280 | E276-I279 PolarHBondContact O-N 3.45Å; E276-R280 WeakPolarHBondContact O-CB 3.39Å; E276-R280 WeakPolarHBondContact O-CG 2.99Å; E276-R280 PolarHBondContact O-N 3.37Å |
| 277 | D | 88 | Confident | 88 | Confident | 125 Ų | 125 | 67.8 Ų | 67.8 | 67% | 0.668 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.6 | -41.8 | 176.5 | -63.6 | -34.4 | 0 | 0 | 0 | 112 | S275 R280 Y281 | S275-D277 PolarHBondContact O-N 2.78Å; D277-R280 PolarHBondContact O-N 3.46Å; D277-Y281 VanDerWaalsContact O-CB 3.32Å; D277-Y281 WeakPolarHBondContact O-CB 3.35Å; D277-Y281 PolarHBondContact O-N 3.24Å |
| 278 | E | 89.7 | Confident | 87.8 | Confident | 96 Ų | 96 | 71 Ų | 71 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 173.4 | -79.6 | 165 | -130.8 | 0 | 0 | 111.9 | K274 S275 Y281 L282 | K274-E278 HydrophobicContact CB-CB 4.06Å; K274-E278 WeakPolarHBondContact CB-OE2 3.49Å; S275-E278 PolarHBondContact O-N 3.24Å; S275-E278 WeakPolarHBondContact OG-CB 3.45Å; S275-E278 WeakPolarHBondContact OG-CG 3.37Å; S275-E278 PolarHBondContact OG-N 3.2Å; S275-E278 PolarHBondContact OG-OE1 3.46Å; E278-Y281 PolarHBondContact O-N 3.5Å; E278-L282 WeakPolarHBondContact O-CB 3.03Å; E278-L282 WeakPolarHBondContact O-CD1 3.12Å; E278-L282 WeakPolarHBondContact O-CG 3.48Å; E278-L282 PolarHBondContact O-N 3.25Å |
| 279 | I | 87.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 177.9 | -64.4 | 169.9 | 0 | 0 | 0 | 110 | L193 L196 K197 N271 K274 S275 E276 Y281 L282 L283 | L193-I279 HydrophobicContact CD1-CB 3.77Å; L193-I279 HydrophobicContact CD1-CG2 3.46Å; L193-I279 VanDerWaalsContact CD1-CG2 3.46Å; L196-I279 HydrophobicContact CB-CG2 4.29Å; L196-I279 HydrophobicContact CD2-CG1 4.37Å; L196-I279 HydrophobicContact CD2-CG2 3.62Å; K197-I279 HydrophobicContact CD-CD1 4.17Å; N271-I279 WeakPolarHBondContact O-CD1 3.47Å; K274-I279 HydrophobicContact CB-CD1 4.43Å; K274-I279 HydrophobicContact CB-CG1 3.9Å; S275-I279 WeakPolarHBondContact O-CG1 3.47Å; S275-I279 PolarHBondContact O-N 3.04Å; E276-I279 PolarHBondContact O-N 3.45Å; I279-Y281 VanDerWaalsContact C-N 3.31Å; I279-Y281 PolarHBondContact O-N 3.32Å; I279-L282 PolarHBondContact O-N 3.35Å; I279-L283 HydrophobicContact CG2-CD1 3.61Å; I279-L283 WeakPolarHBondContact O-CD1 3.49Å; I279-L283 PolarHBondContact O-N 2.86Å |
| 280 | R | 86 | Confident | 87.4 | Confident | 107 Ų | 107 | 73 Ų | 73 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.5 | -45.1 | 175 | -73.8 | 177.1 | -174.9 | -94.2 | -3.5 | 111.1 | D190 L193 E276 D277 L282 L283 S284 | D190-R280 IonicContact OD1-CZ 2.65Å; D190-R280 IonicContact OD1-NH1 2.83Å; D190-R280 PolarHBondContact OD1-NH1 2.91Å; D190-R280 IonicContact OD1-NH2 2.68Å; D190-R280 PolarHBondContact OD1-NH2 2.97Å; L193-R280 HydrophobicContact CD1-CG 3.99Å; L193-R280 HydrophobicContact CD2-CG 4.08Å; E276-R280 WeakPolarHBondContact O-CB 3.39Å; E276-R280 WeakPolarHBondContact O-CG 2.99Å; E276-R280 PolarHBondContact O-N 3.37Å; D277-R280 PolarHBondContact O-N 3.46Å; R280-L282 PolarHBondContact O-N 3.4Å; R280-L283 PolarHBondContact O-N 3.03Å; R280-S284 WeakPolarHBondContact O-CB 3.02Å; R280-S284 PolarHBondContact O-N 2.69Å; R280-S284 PolarHBondContact O-OG 3.38Å |
| 281 | Y | 87.9 | Confident | 87.2 | Confident | 148 Ų | 148 | 73.7 Ų | 73.7 | 58% | 0.58 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.3 | -47.1 | 175.9 | 178.2 | -100.2 | 0 | 0 | 0 | 111.6 | D277 E278 I279 S284 T285 | D277-Y281 VanDerWaalsContact O-CB 3.32Å; D277-Y281 WeakPolarHBondContact O-CB 3.35Å; D277-Y281 PolarHBondContact O-N 3.24Å; E278-Y281 PolarHBondContact O-N 3.5Å; I279-Y281 VanDerWaalsContact C-N 3.31Å; I279-Y281 PolarHBondContact O-N 3.32Å; Y281-S284 PolarHBondContact O-N 3.21Å; Y281-S284 PolarHBondContact O-OG 3.28Å; Y281-T285 WeakPolarHBondContact CE2-OG1 3.25Å; Y281-T285 VanDerWaalsContact O-CB 3.25Å; Y281-T285 WeakPolarHBondContact O-CB 3.12Å; Y281-T285 PolarHBondContact O-N 2.88Å; Y281-T285 PolarHBondContact O-OG1 3.08Å |
| 282 | L | 87.5 | Confident | 87.2 | Confident | 19 Ų | 19 | 77.4 Ų | 77.4 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.9 | -68.6 | 165.8 | 0 | 0 | 0 | 112.2 | K274 E278 I279 R280 S284 T285 Q286 L289 | K274-L282 HydrophobicContact CD-CD1 3.55Å; K274-L282 VanDerWaalsContact NZ-CD1 3.26Å; E278-L282 WeakPolarHBondContact O-CB 3.03Å; E278-L282 WeakPolarHBondContact O-CD1 3.12Å; E278-L282 WeakPolarHBondContact O-CG 3.48Å; E278-L282 PolarHBondContact O-N 3.25Å; I279-L282 PolarHBondContact O-N 3.35Å; R280-L282 PolarHBondContact O-N 3.4Å; L282-S284 VanDerWaalsContact C-N 3.29Å; L282-S284 PolarHBondContact O-N 3.2Å; L282-T285 PolarHBondContact O-N 3.38Å; L282-Q286 VanDerWaalsContact CD2-CD 3.47Å; L282-Q286 HydrophobicContact CD2-CG 4.17Å; L282-Q286 WeakPolarHBondContact O-CA 2.89Å; L282-Q286 VanDerWaalsContact O-CB 3.23Å; L282-Q286 WeakPolarHBondContact O-CB 3.09Å; L282-Q286 PolarHBondContact O-N 3.47Å; L282-L289 HydrophobicContact CB-CD2 3.98Å |
| 283 | L | 85.3 | Confident | 87.2 | Confident | 32 Ų | 32 | 77.3 Ų | 77.3 | 17% | 0.168 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.5 | -34.6 | 177 | -93.7 | 70.3 | 0 | 0 | 0 | 112.4 | L196 I279 R280 L289 | L196-L283 HydrophobicContact CD2-CD1 4.14Å; I279-L283 HydrophobicContact CG2-CD1 3.61Å; I279-L283 WeakPolarHBondContact O-CD1 3.49Å; I279-L283 PolarHBondContact O-N 2.86Å; R280-L283 PolarHBondContact O-N 3.03Å; L283-L289 HydrophobicContact CD1-CD2 3.9Å |
| 284 | S | 83.9 | Confident | 87.2 | Confident | 89 Ų | 89 | 75.2 Ų | 75.2 | 62% | 0.622 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -79.9 | -33.6 | 179.9 | 68.4 | 0 | 0 | 0 | 0 | 113.5 | R280 Y281 L282 | R280-S284 WeakPolarHBondContact O-CB 3.02Å; R280-S284 PolarHBondContact O-N 2.69Å; R280-S284 PolarHBondContact O-OG 3.38Å; Y281-S284 PolarHBondContact O-N 3.21Å; Y281-S284 PolarHBondContact O-OG 3.28Å; L282-S284 VanDerWaalsContact C-N 3.29Å; L282-S284 PolarHBondContact O-N 3.2Å |
| 285 | T | 85.2 | Confident | 87.2 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 47% | 0.466 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -99.7 | -34.4 | -171.5 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | Y281 L282 I287 | Y281-T285 WeakPolarHBondContact CE2-OG1 3.25Å; Y281-T285 VanDerWaalsContact O-CB 3.25Å; Y281-T285 WeakPolarHBondContact O-CB 3.12Å; Y281-T285 PolarHBondContact O-N 2.88Å; Y281-T285 PolarHBondContact O-OG1 3.08Å; L282-T285 PolarHBondContact O-N 3.38Å; T285-I287 PolarHBondContact O-N 3.47Å |
| 286 | Q | 84.7 | Confident | 87.3 | Confident | 93 Ų | 93 | 73.6 Ų | 73.6 | 44% | 0.435 | 36% | 0.364 | S | S | . | . | trans | -98.3 | 90.9 | -178 | -59.2 | -171.4 | -22.1 | 0 | 0 | 110.9 | L282 D288 L289 | L282-Q286 VanDerWaalsContact CD2-CD 3.47Å; L282-Q286 HydrophobicContact CD2-CG 4.17Å; L282-Q286 WeakPolarHBondContact O-CA 2.89Å; L282-Q286 VanDerWaalsContact O-CB 3.23Å; L282-Q286 WeakPolarHBondContact O-CB 3.09Å; L282-Q286 PolarHBondContact O-N 3.47Å; Q286-D288 PolarHBondContact O-N 3.37Å; Q286-L289 HydrophobicContact CB-CB 4.07Å; Q286-L289 WeakPolarHBondContact O-CB 3.41Å; Q286-L289 PolarHBondContact O-N 3.44Å; Q286-L289 VanDerWaalsContact O-N 3.07Å | ||
| 287 | I | 83 | Confident | 87.5 | Confident | 127 Ų | 127 | 71.5 Ų | 71.5 | 65% | 0.651 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -54.1 | -36.9 | 174.7 | -62.8 | 168.5 | 0 | 0 | 0 | 111 | T285 L289 N290 N291 | T285-I287 PolarHBondContact O-N 3.47Å; I287-L289 VanDerWaalsContact C-N 3.32Å; I287-L289 PolarHBondContact O-N 3.23Å; I287-N290 PolarHBondContact O-N 3.44Å; I287-N291 PolarHBondContact O-N 3.3Å |
| 288 | D | 86.2 | Confident | 87.8 | Confident | 108 Ų | 108 | 70 Ų | 70 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.6 | -38.7 | 179 | -64.3 | -31.9 | 0 | 0 | 0 | 112.7 | Q286 N290 N291 F292 | Q286-D288 PolarHBondContact O-N 3.37Å; D288-N290 PolarHBondContact O-N 3.44Å; D288-N291 PolarHBondContact O-N 3.03Å; D288-F292 HydrophobicContact CB-CE2 4.02Å; D288-F292 HydrophobicContact CB-CZ 4.26Å; D288-F292 WeakPolarHBondContact O-CB 2.96Å; D288-F292 WeakPolarHBondContact O-CD2 3.39Å; D288-F292 WeakPolarHBondContact O-CG 3.31Å; D288-F292 PolarHBondContact O-N 3.38Å |
| 289 | L | 85.9 | Confident | 88 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 179.6 | -178.3 | 61.1 | 0 | 0 | 0 | 111.1 | I267 L282 L283 Q286 I287 N291 F292 L293 | I267-L289 HydrophobicContact CG2-CD1 3.97Å; L282-L289 HydrophobicContact CB-CD2 3.98Å; L283-L289 HydrophobicContact CD1-CD2 3.9Å; Q286-L289 HydrophobicContact CB-CB 4.07Å; Q286-L289 WeakPolarHBondContact O-CB 3.41Å; Q286-L289 PolarHBondContact O-N 3.44Å; Q286-L289 VanDerWaalsContact O-N 3.07Å; I287-L289 VanDerWaalsContact C-N 3.32Å; I287-L289 PolarHBondContact O-N 3.23Å; L289-N291 VanDerWaalsContact C-N 3.34Å; L289-F292 PolarHBondContact O-N 3.13Å; L289-L293 HydrophobicContact CD1-CD1 4.41Å; L289-L293 HydrophobicContact CG-CD1 4.04Å; L289-L293 WeakPolarHBondContact O-CB 3.26Å; L289-L293 WeakPolarHBondContact O-CD1 3.47Å; L289-L293 VanDerWaalsContact O-CG 3.31Å; L289-L293 WeakPolarHBondContact O-CG 3.37Å; L289-L293 PolarHBondContact O-N 3.41Å |
| 290 | N | 85.3 | Confident | 88.3 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 176.5 | -167.5 | -6.2 | 0 | 0 | 0 | 111.2 | Y192 I287 D288 L293 K294 | Y192-N290 WeakPolarHBondContact CE2-OD1 3.46Å; I287-N290 PolarHBondContact O-N 3.44Å; D288-N290 PolarHBondContact O-N 3.44Å; N290-L293 PolarHBondContact O-N 2.85Å; N290-K294 PolarHBondContact O-N 2.72Å |
| 291 | N | 87.2 | Confident | 88.7 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 174 | -73.3 | -24.9 | 0 | 0 | 0 | 112.2 | I287 D288 L289 K294 I295 | I287-N291 PolarHBondContact O-N 3.3Å; D288-N291 PolarHBondContact O-N 3.03Å; L289-N291 VanDerWaalsContact C-N 3.34Å; N291-K294 PolarHBondContact O-N 3.24Å; N291-I295 VanDerWaalsContact O-CG1 3.27Å; N291-I295 WeakPolarHBondContact O-CG1 3.36Å; N291-I295 PolarHBondContact O-N 3.39Å |
| 292 | F | 89.9 | Confident | 89 | Confident | 90 Ų | 90 | 59.5 Ų | 59.5 | 40% | 0.395 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 176.6 | -65.5 | -30.7 | 0 | 0 | 0 | 112.5 | F264 D288 L289 K294 I295 W296 | F264-F292 HydrophobicContact CD1-CB 4.07Å; F264-F292 HydrophobicContact CE1-CB 3.88Å; F264-F292 HydrophobicContact CE1-CD1 4.16Å; F264-F292 HydrophobicContact CE1-CG 4.27Å; D288-F292 HydrophobicContact CB-CE2 4.02Å; D288-F292 HydrophobicContact CB-CZ 4.26Å; D288-F292 WeakPolarHBondContact O-CB 2.96Å; D288-F292 WeakPolarHBondContact O-CD2 3.39Å; D288-F292 WeakPolarHBondContact O-CG 3.31Å; D288-F292 PolarHBondContact O-N 3.38Å; L289-F292 PolarHBondContact O-N 3.13Å; F292-K294 VanDerWaalsContact C-N 3.33Å; F292-K294 PolarHBondContact O-N 3.36Å; F292-I295 PolarHBondContact O-N 3.49Å; F292-W296 WeakPolarHBondContact O-CB 3.31Å; F292-W296 PolarHBondContact O-N 3.17Å |
| 293 | L | 89.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.4 | -76.4 | 158 | 0 | 0 | 0 | 111.6 | Y192 L195 L196 F268 L289 N290 W296 Q297 | Y192-L293 HydrophobicContact CD1-CB 3.83Å; Y192-L293 HydrophobicContact CD1-CD1 4.29Å; Y192-L293 HydrophobicContact CD1-CD2 4.09Å; Y192-L293 HydrophobicContact CD1-CG 4.31Å; Y192-L293 HydrophobicContact CD2-CB 4.28Å; Y192-L293 HydrophobicContact CD2-CD1 4.06Å; Y192-L293 HydrophobicContact CE1-CB 3.82Å; Y192-L293 HydrophobicContact CE2-CB 4.29Å; Y192-L293 HydrophobicContact CG-CB 4.05Å; Y192-L293 HydrophobicContact CG-CD1 3.76Å; Y192-L293 HydrophobicContact CG-CD2 4.32Å; Y192-L293 HydrophobicContact CG-CG 4.28Å; L195-L293 HydrophobicContact CD2-CD2 3.99Å; L196-L293 HydrophobicContact CD1-CD2 4.39Å; F268-L293 HydrophobicContact CD1-CD2 4.06Å; F268-L293 HydrophobicContact CE1-CD2 3.18Å; F268-L293 HydrophobicContact CE1-CG 4.05Å; F268-L293 HydrophobicContact CE2-CD2 4.49Å; F268-L293 HydrophobicContact CZ-CD2 3.46Å; F268-L293 VanDerWaalsContact CZ-CD2 3.46Å; L289-L293 HydrophobicContact CD1-CD1 4.41Å; L289-L293 HydrophobicContact CG-CD1 4.04Å; L289-L293 WeakPolarHBondContact O-CB 3.26Å; L289-L293 WeakPolarHBondContact O-CD1 3.47Å; L289-L293 VanDerWaalsContact O-CG 3.31Å; L289-L293 WeakPolarHBondContact O-CG 3.37Å; L289-L293 PolarHBondContact O-N 3.41Å; N290-L293 PolarHBondContact O-N 2.85Å; L293-W296 PolarHBondContact O-N 3.21Å; L293-Q297 PolarHBondContact O-N 2.81Å |
| 294 | K | 89.1 | Confident | 89.8 | Confident | 118 Ų | 118 | 57.6 Ų | 57.6 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 176.2 | -172.3 | 176.7 | -179.1 | 178.8 | 0 | 112.4 | N290 N291 F292 Q297 I298 | N290-K294 PolarHBondContact O-N 2.72Å; N291-K294 PolarHBondContact O-N 3.24Å; F292-K294 VanDerWaalsContact C-N 3.33Å; F292-K294 PolarHBondContact O-N 3.36Å; K294-Q297 PolarHBondContact O-N 2.71Å; K294-I298 HydrophobicContact CG-CD1 4.39Å; K294-I298 WeakPolarHBondContact O-CG1 3.48Å; K294-I298 PolarHBondContact O-N 2.93Å; K294-I298 VanDerWaalsContact O-N 3.12Å |
| 295 | I | 92.1 | Very high | 90.3 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 40% | 0.4 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 176 | -69.6 | 164 | 0 | 0 | 0 | 110.1 | F264 N291 F292 Q297 I298 L299 | F264-I295 HydrophobicContact CE1-CB 4.45Å; F264-I295 HydrophobicContact CE1-CG2 4.27Å; F264-I295 HydrophobicContact CZ-CB 4.48Å; F264-I295 HydrophobicContact CZ-CG2 3.83Å; N291-I295 VanDerWaalsContact O-CG1 3.27Å; N291-I295 WeakPolarHBondContact O-CG1 3.36Å; N291-I295 PolarHBondContact O-N 3.39Å; F292-I295 PolarHBondContact O-N 3.49Å; I295-Q297 VanDerWaalsContact C-N 3.33Å; I295-Q297 PolarHBondContact O-N 2.72Å; I295-I298 PolarHBondContact O-N 3.44Å; I295-L299 HydrophobicContact CG2-CD1 3.98Å; I295-L299 HydrophobicContact CG2-CG 4.31Å; I295-L299 WeakPolarHBondContact O-CG 3.37Å; I295-L299 PolarHBondContact O-N 3.22Å |
| 296 | W | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 178.1 | 177.1 | 87.2 | 0 | 0 | 0 | 112.3 | V169 L195 Y199 M261 F264 D265 F268 F292 L293 I298 L299 D300 | V169-W296 HydrophobicContact CB-CH2 4.4Å; V169-W296 HydrophobicContact CG1-CH2 3.75Å; V169-W296 HydrophobicContact CG1-CZ3 3.43Å; V169-W296 VanDerWaalsContact CG1-CZ3 3.43Å; V169-W296 HydrophobicContact CG2-CH2 3.72Å; V169-W296 HydrophobicContact CG2-CZ3 4.3Å; L195-W296 HydrophobicContact CD1-CZ3 4.47Å; L195-W296 HydrophobicContact CD2-CZ3 4.12Å; Y199-W296 HydrophobicContact CD1-CH2 4.35Å; Y199-W296 AromaticContact CE1-CH2 3.65Å; Y199-W296 HydrophobicContact CE1-CH2 3.65Å; Y199-W296 AromaticContact CE1-CZ2 3.67Å; Y199-W296 HydrophobicContact CE1-CZ2 3.67Å; Y199-W296 AromaticContact CZ-CZ2 3.97Å; M261-W296 HydrophobicContact CE-CD2 4.3Å; M261-W296 HydrophobicContact CE-CG 4.32Å; M261-W296 HydrophobicContact CE-CZ2 4.17Å; M261-W296 VanDerWaalsContact CE-NE1 3.32Å; F264-W296 HydrophobicContact CB-CB 4.11Å; F264-W296 HydrophobicContact CB-CG 3.97Å; F264-W296 HydrophobicContact CD1-CB 4.01Å; F264-W296 HydrophobicContact CG-CB 4.06Å; F264-W296 AromaticContact CG-CD1 3.96Å; F264-W296 HydrophobicContact CG-CG 4.39Å; D265-W296 PolarHBondContact OD1-NE1 3.11Å; F268-W296 HydrophobicContact CD2-CZ2 4.4Å; F268-W296 AromaticContact CE2-CD2 3.38Å; F268-W296 HydrophobicContact CE2-CD2 3.38Å; F268-W296 AromaticContact CE2-CE2 3.43Å; F268-W296 VanDerWaalsContact CE2-CE2 3.43Å; F268-W296 AromaticContact CE2-CE3 3.55Å; F268-W296 HydrophobicContact CE2-CE3 3.55Å; F268-W296 AromaticContact CE2-CG 3.97Å; F268-W296 HydrophobicContact CE2-CG 3.97Å; F268-W296 AromaticContact CE2-CH2 3.83Å; F268-W296 HydrophobicContact CE2-CH2 3.83Å; F268-W296 AromaticContact CE2-CZ2 3.69Å; F268-W296 HydrophobicContact CE2-CZ2 3.69Å; F268-W296 AromaticContact CE2-CZ3 3.75Å; F268-W296 HydrophobicContact CE2-CZ3 3.75Å; F268-W296 AromaticContact CE2-NE1 3.92Å; F268-W296 HydrophobicContact CZ-CB 4.09Å; F268-W296 AromaticContact CZ-CD2 3.47Å; F268-W296 HydrophobicContact CZ-CD2 3.47Å; F268-W296 VanDerWaalsContact CZ-CD2 3.47Å; F268-W296 AromaticContact CZ-CE2 4Å; F268-W296 AromaticContact CZ-CE3 3.62Å; F268-W296 HydrophobicContact CZ-CE3 3.62Å; F268-W296 AromaticContact CZ-CG 3.68Å; F268-W296 HydrophobicContact CZ-CG 3.68Å; F268-W296 HydrophobicContact CZ-CZ3 4.22Å; F292-W296 WeakPolarHBondContact O-CB 3.31Å; F292-W296 PolarHBondContact O-N 3.17Å; L293-W296 PolarHBondContact O-N 3.21Å; W296-I298 VanDerWaalsContact C-N 3.33Å; W296-I298 PolarHBondContact O-N 3.36Å; W296-L299 PolarHBondContact O-N 3.36Å; W296-D300 PolarHBondContact O-N 2.87Å |
| 297 | Q | 91.5 | Very high | 91 | Very high | 43 Ų | 43 | 49.9 Ų | 49.9 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 175.3 | -175.4 | -173.4 | 12.8 | 0 | 0 | 112 | I173 L293 K294 I295 D300 A301 | I173-Q297 HydrophobicContact CD1-CB 4.43Å; I173-Q297 HydrophobicContact CD1-CG 3.92Å; L293-Q297 PolarHBondContact O-N 2.81Å; K294-Q297 PolarHBondContact O-N 2.71Å; I295-Q297 VanDerWaalsContact C-N 3.33Å; I295-Q297 PolarHBondContact O-N 2.72Å; Q297-D300 PolarHBondContact O-N 3.06Å; Q297-A301 PolarHBondContact O-N 2.84Å; Q297-A301 VanDerWaalsContact O-N 3.08Å |
| 298 | I | 93 | Very high | 91.4 | Very high | 93 Ų | 93 | 46 Ų | 46 | 48% | 0.477 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 175.9 | -66 | 164.7 | 0 | 0 | 0 | 110.2 | K294 I295 W296 D300 A301 C302 | K294-I298 HydrophobicContact CG-CD1 4.39Å; K294-I298 WeakPolarHBondContact O-CG1 3.48Å; K294-I298 PolarHBondContact O-N 2.93Å; K294-I298 VanDerWaalsContact O-N 3.12Å; I295-I298 PolarHBondContact O-N 3.44Å; W296-I298 VanDerWaalsContact C-N 3.33Å; W296-I298 PolarHBondContact O-N 3.36Å; I298-D300 PolarHBondContact O-N 2.93Å; I298-A301 PolarHBondContact O-N 3.03Å; I298-C302 WeakPolarHBondContact O-CB 3.45Å; I298-C302 PolarHBondContact O-N 3.33Å; I298-C302 PolarHBondContact O-SG 2.84Å |
| 299 | L | 94.7 | Very high | 91.6 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 18% | 0.183 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 177.1 | -68.5 | 173.5 | 0 | 0 | 0 | 111.9 | I257 M261 F264 I295 W296 C302 R303 | I257-L299 HydrophobicContact CG2-CB 4.11Å; I257-L299 HydrophobicContact CG2-CD2 4.09Å; I257-L299 WeakPolarHBondContact CG2-O 3.49Å; M261-L299 HydrophobicContact CG-CB 3.76Å; M261-L299 HydrophobicContact CG-CD1 4.12Å; M261-L299 HydrophobicContact SD-CB 3.96Å; F264-L299 HydrophobicContact CD2-CD1 4.42Å; F264-L299 HydrophobicContact CE2-CD1 3.86Å; F264-L299 HydrophobicContact CZ-CD1 4.42Å; I295-L299 HydrophobicContact CG2-CD1 3.98Å; I295-L299 HydrophobicContact CG2-CG 4.31Å; I295-L299 WeakPolarHBondContact O-CG 3.37Å; I295-L299 PolarHBondContact O-N 3.22Å; W296-L299 PolarHBondContact O-N 3.36Å; L299-C302 PolarHBondContact O-N 2.91Å; L299-R303 VanDerWaalsContact O-CB 3.3Å; L299-R303 WeakPolarHBondContact O-CB 3.41Å; L299-R303 PolarHBondContact O-N 3.42Å |
| 300 | D | 93.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 175.6 | -174.9 | 64.6 | 0 | 0 | 0 | 111.5 | H165 T166 M261 W296 Q297 I298 C302 R303 T304 | H165-D300 IonicContact CE1-OD1 3.41Å; H165-D300 PolarHBondContact CE1-OD1 2.71Å; H165-D300 IonicContact ND1-OD1 3.12Å; H165-D300 PolarHBondContact ND1-OD1 3.11Å; H165-D300 VanDerWaalsContact ND1-OD1 3.12Å; H165-D300 IonicContact ND1-OD2 3.73Å; T166-D300 VanDerWaalsContact CA-OD2 3.27Å; T166-D300 WeakPolarHBondContact CA-OD2 3.23Å; T166-D300 VanDerWaalsContact CB-OD2 3.28Å; T166-D300 WeakPolarHBondContact CB-OD2 3.39Å; T166-D300 WeakPolarHBondContact CG2-OD2 3.18Å; T166-D300 PolarHBondContact OG1-OD2 2.56Å; M261-D300 HydrophobicContact CE-CB 3.7Å; W296-D300 PolarHBondContact O-N 2.87Å; Q297-D300 PolarHBondContact O-N 3.06Å; I298-D300 PolarHBondContact O-N 2.93Å; D300-C302 PolarHBondContact O-N 2.91Å; D300-R303 PolarHBondContact O-N 2.93Å; D300-R303 IonicContact OD1-CZ 2.81Å; D300-R303 IonicContact OD1-NE 3.78Å; D300-R303 IonicContact OD1-NH2 3.19Å; D300-R303 PolarHBondContact OD1-NH2 3.36Å; D300-T304 PolarHBondContact O-N 2.53Å; D300-T304 PolarHBondContact O-OG1 3.09Å |
| 301 | A | 94 | Very high | 91.7 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.8 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q297 I298 T304 A305 | Q297-A301 PolarHBondContact O-N 2.84Å; Q297-A301 VanDerWaalsContact O-N 3.08Å; I298-A301 PolarHBondContact O-N 3.03Å; A301-T304 PolarHBondContact O-N 3.34Å; A301-A305 WeakPolarHBondContact O-CB 3.46Å; A301-A305 PolarHBondContact O-N 2.83Å |
| 302 | C | 95.3 | Very high | 91.6 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 32% | 0.318 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 175.9 | -74.5 | 0 | 0 | 0 | 0 | 111.5 | I257 I298 L299 D300 T304 A305 F306 | I257-C302 HydrophobicContact CD1-CB 4.09Å; I298-C302 WeakPolarHBondContact O-CB 3.45Å; I298-C302 PolarHBondContact O-N 3.33Å; I298-C302 PolarHBondContact O-SG 2.84Å; L299-C302 PolarHBondContact O-N 2.91Å; D300-C302 PolarHBondContact O-N 2.91Å; C302-T304 PolarHBondContact O-N 3.42Å; C302-A305 PolarHBondContact O-N 2.67Å; C302-F306 WeakPolarHBondContact O-CD2 3.26Å; C302-F306 PolarHBondContact O-N 3.1Å |
| 303 | R | 94.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.2 | -51.3 | 176.4 | -179.9 | -174.5 | 65.2 | 161.6 | -1.2 | 110.6 | H165 I257 H258 M261 L299 D300 A305 F306 I307 | H165-R303 PolarHBondContact ND1-NH2 2.9Å; I257-R303 HydrophobicContact CG2-CB 3.86Å; H258-R303 HydrophobicContact CB-CG 4.5Å; H258-R303 PolarHBondContact ND1-NH1 3.48Å; M261-R303 HydrophobicContact SD-CB 4.46Å; L299-R303 VanDerWaalsContact O-CB 3.3Å; L299-R303 WeakPolarHBondContact O-CB 3.41Å; L299-R303 PolarHBondContact O-N 3.42Å; D300-R303 PolarHBondContact O-N 2.93Å; D300-R303 IonicContact OD1-CZ 2.81Å; D300-R303 IonicContact OD1-NE 3.78Å; D300-R303 IonicContact OD1-NH2 3.19Å; D300-R303 PolarHBondContact OD1-NH2 3.36Å; R303-A305 PolarHBondContact O-N 3Å; R303-F306 PolarHBondContact O-N 3.32Å; R303-I307 HydrophobicContact CG-CD1 3.91Å; R303-I307 VanDerWaalsContact O-CG1 3.3Å; R303-I307 WeakPolarHBondContact O-CG1 3.31Å; R303-I307 PolarHBondContact O-N 3.37Å |
| 304 | T | 94.2 | Very high | 90.6 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 178.6 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | S162 L163 T166 D300 A301 C302 I307 I308 | S162-T304 PolarHBondContact O-OG1 3.34Å; S162-T304 WeakPolarHBondContact OG-CA 3.27Å; S162-T304 PolarHBondContact OG-OG1 2.82Å; L163-T304 HydrophobicContact CB-CG2 4.45Å; L163-T304 HydrophobicContact CD1-CG2 4.37Å; T166-T304 PolarHBondContact OG1-OG1 3.32Å; D300-T304 PolarHBondContact O-N 2.53Å; D300-T304 PolarHBondContact O-OG1 3.09Å; A301-T304 PolarHBondContact O-N 3.34Å; C302-T304 PolarHBondContact O-N 3.42Å; T304-I307 PolarHBondContact O-N 3.39Å; T304-I308 HydrophobicContact CG2-CD1 3.76Å; T304-I308 HydrophobicContact CG2-CG1 4.49Å; T304-I308 VanDerWaalsContact O-CG1 3.3Å; T304-I308 WeakPolarHBondContact O-CG1 3.18Å; T304-I308 PolarHBondContact O-N 3.48Å |
| 305 | A | 94.6 | Very high | 89.9 | Confident | 45 Ų | 45 | 39.9 Ų | 39.9 | 37% | 0.372 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | A301 C302 R303 I307 I308 I309 | A301-A305 WeakPolarHBondContact O-CB 3.46Å; A301-A305 PolarHBondContact O-N 2.83Å; C302-A305 PolarHBondContact O-N 2.67Å; R303-A305 PolarHBondContact O-N 3Å; A305-I307 PolarHBondContact O-N 3.33Å; A305-I308 PolarHBondContact O-N 3.27Å; A305-I309 WeakPolarHBondContact O-CB 3.36Å; A305-I309 WeakPolarHBondContact O-CD1 3.25Å; A305-I309 WeakPolarHBondContact O-CG1 3.46Å; A305-I309 PolarHBondContact O-N 2.93Å |
| 306 | F | 93.5 | Very high | 89 | Confident | 51 Ų | 51 | 41.9 Ų | 41.9 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.3 | -36.3 | 178.6 | -76.5 | -65.5 | 0 | 0 | 0 | 112.8 | F250 I253 A254 I257 C302 R303 T310 | F250-F306 HydrophobicContact CB-CD1 4.29Å; F250-F306 AromaticContact CD1-CD1 3.67Å; F250-F306 HydrophobicContact CD1-CD1 3.67Å; F250-F306 AromaticContact CD1-CE1 3.78Å; F250-F306 HydrophobicContact CD1-CE1 3.78Å; F250-F306 HydrophobicContact CE1-CD1 4.43Å; F250-F306 HydrophobicContact CE1-CE1 4.19Å; F250-F306 HydrophobicContact CG-CD1 4.33Å; I253-F306 HydrophobicContact CD1-CE1 4.32Å; I253-F306 HydrophobicContact CG2-CD1 4.22Å; I253-F306 HydrophobicContact CG2-CD2 3.73Å; I253-F306 HydrophobicContact CG2-CE1 4.08Å; I253-F306 HydrophobicContact CG2-CE2 3.59Å; I253-F306 HydrophobicContact CG2-CG 4.07Å; I253-F306 HydrophobicContact CG2-CZ 3.77Å; A254-F306 HydrophobicContact CB-CB 3.84Å; I257-F306 HydrophobicContact CD1-CD2 3.64Å; I257-F306 HydrophobicContact CD1-CE2 3.82Å; C302-F306 WeakPolarHBondContact O-CD2 3.26Å; C302-F306 PolarHBondContact O-N 3.1Å; R303-F306 PolarHBondContact O-N 3.32Å; F306-T310 VanDerWaalsContact O-CB 3.31Å; F306-T310 WeakPolarHBondContact O-CB 3.47Å; F306-T310 PolarHBondContact O-N 2.76Å; F306-T310 PolarHBondContact O-OG1 3.38Å |
| 307 | I | 92.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -50.2 | 172.5 | -68.1 | 169.7 | 0 | 0 | 0 | 109.6 | F155 L158 A159 L214 A254 R303 T304 A305 I309 T310 W311 | F155-I307 HydrophobicContact CE1-CG2 3.96Å; F155-I307 VanDerWaalsContact CE1-O 3.25Å; F155-I307 WeakPolarHBondContact CE1-O 3.38Å; F155-I307 HydrophobicContact CZ-CG2 4.44Å; L158-I307 HydrophobicContact CG-CG2 4.35Å; A159-I307 HydrophobicContact CB-CG2 3.93Å; L214-I307 HydrophobicContact CD2-CD1 4.32Å; L214-I307 HydrophobicContact CD2-CG1 4.42Å; A254-I307 HydrophobicContact CB-CG1 3.98Å; R303-I307 HydrophobicContact CG-CD1 3.91Å; R303-I307 VanDerWaalsContact O-CG1 3.3Å; R303-I307 WeakPolarHBondContact O-CG1 3.31Å; R303-I307 PolarHBondContact O-N 3.37Å; T304-I307 PolarHBondContact O-N 3.39Å; A305-I307 PolarHBondContact O-N 3.33Å; I307-I309 PolarHBondContact O-N 2.63Å; I307-T310 WeakPolarHBondContact O-CB 3.37Å; I307-T310 PolarHBondContact O-N 2.87Å; I307-W311 PolarHBondContact O-N 3.37Å |
| 308 | I | 91.5 | Very high | 85.9 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 179.9 | -67.6 | 167.3 | 0 | 0 | 0 | 111.6 | A159 L163 T304 A305 T310 W311 I312 | A159-I308 HydrophobicContact CB-CG1 4.3Å; L163-I308 HydrophobicContact CD1-CD1 4.12Å; T304-I308 HydrophobicContact CG2-CD1 3.76Å; T304-I308 HydrophobicContact CG2-CG1 4.49Å; T304-I308 VanDerWaalsContact O-CG1 3.3Å; T304-I308 WeakPolarHBondContact O-CG1 3.18Å; T304-I308 PolarHBondContact O-N 3.48Å; A305-I308 PolarHBondContact O-N 3.27Å; I308-T310 VanDerWaalsContact C-N 3.29Å; I308-T310 PolarHBondContact O-N 2.92Å; I308-W311 WeakPolarHBondContact O-CB 3.33Å; I308-W311 PolarHBondContact O-N 3.48Å; I308-I312 HydrophobicContact CG2-CD1 3.72Å; I308-I312 HydrophobicContact CG2-CG1 4.39Å; I308-I312 VanDerWaalsContact O-CG1 3.31Å; I308-I312 WeakPolarHBondContact O-CG1 3.32Å; I308-I312 PolarHBondContact O-N 2.83Å |
| 309 | I | 89.7 | Confident | 84.1 | Confident | 68 Ų | 68 | 46.7 Ų | 46.7 | 35% | 0.349 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 176.9 | -68.5 | 164.3 | 0 | 0 | 0 | 110.4 | F250 A305 I307 I312 S313 | F250-I309 HydrophobicContact CD1-CG2 4.48Å; F250-I309 HydrophobicContact CD2-CG2 3.5Å; F250-I309 VanDerWaalsContact CD2-CG2 3.5Å; F250-I309 HydrophobicContact CE1-CG2 4.5Å; F250-I309 HydrophobicContact CE2-CG2 3.52Å; F250-I309 HydrophobicContact CG-CG2 4.01Å; F250-I309 HydrophobicContact CZ-CG2 4.03Å; A305-I309 WeakPolarHBondContact O-CB 3.36Å; A305-I309 WeakPolarHBondContact O-CD1 3.25Å; A305-I309 WeakPolarHBondContact O-CG1 3.46Å; A305-I309 PolarHBondContact O-N 2.93Å; I307-I309 PolarHBondContact O-N 2.63Å; I309-I312 PolarHBondContact O-N 3.46Å; I309-S313 VanDerWaalsContact O-CB 3.27Å; I309-S313 WeakPolarHBondContact O-CB 3.47Å; I309-S313 PolarHBondContact O-N 2.98Å; I309-S313 PolarHBondContact O-OG 3.34Å |
| 310 | T | 86.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 175.8 | -57 | 0 | 0 | 0 | 0 | 110.7 | F155 A247 F250 Y251 F306 I307 I308 I312 S313 V314 | F155-T310 HydrophobicContact CE1-CG2 4.05Å; F155-T310 HydrophobicContact CE2-CG2 3.59Å; F155-T310 VanDerWaalsContact CZ-CB 3.46Å; F155-T310 HydrophobicContact CZ-CG2 3.21Å; A247-T310 HydrophobicContact CB-CG2 4.15Å; A247-T310 WeakPolarHBondContact O-CG2 3.47Å; F250-T310 WeakPolarHBondContact CB-OG1 3.37Å; Y251-T310 PolarHBondContact N-OG1 3.3Å; F306-T310 VanDerWaalsContact O-CB 3.31Å; F306-T310 WeakPolarHBondContact O-CB 3.47Å; F306-T310 PolarHBondContact O-N 2.76Å; F306-T310 PolarHBondContact O-OG1 3.38Å; I307-T310 WeakPolarHBondContact O-CB 3.37Å; I307-T310 PolarHBondContact O-N 2.87Å; I308-T310 VanDerWaalsContact C-N 3.29Å; I308-T310 PolarHBondContact O-N 2.92Å; T310-I312 VanDerWaalsContact C-N 3.35Å; T310-I312 PolarHBondContact O-N 2.68Å; T310-S313 PolarHBondContact O-N 3.48Å; T310-S313 VanDerWaalsContact O-N 3.17Å; T310-V314 HydrophobicContact CG2-CG2 4.4Å; T310-V314 WeakPolarHBondContact O-CG2 3.06Å; T310-V314 PolarHBondContact O-N 2.82Å |
| 311 | W | 86.4 | Confident | 80 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 35% | 0.345 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 178.3 | -178.8 | 50.5 | 0 | 0 | 0 | 111.6 | F152 F155 G156 A159 I307 I308 S313 V314 A315 | F152-W311 AromaticContact CE2-CD1 3.92Å; F152-W311 AromaticContact CE2-NE1 3.59Å; F152-W311 AromaticContact CZ-NE1 3.58Å; F155-W311 HydrophobicContact CD1-CB 3.38Å; F155-W311 AromaticContact CD1-CD1 3.62Å; F155-W311 AromaticContact CD1-CG 3.8Å; F155-W311 HydrophobicContact CD1-CG 3.8Å; F155-W311 VanDerWaalsContact CE1-CA 3.48Å; F155-W311 HydrophobicContact CE1-CB 3.49Å; F155-W311 VanDerWaalsContact CE1-CB 3.49Å; F155-W311 HydrophobicContact CE1-CG 4.4Å; F155-W311 VanDerWaalsContact CE1-N 3.3Å; G156-W311 VanDerWaalsContact CA-NE1 3.34Å; A159-W311 HydrophobicContact CB-CB 4.21Å; A159-W311 HydrophobicContact CB-CD2 4.43Å; A159-W311 HydrophobicContact CB-CG 4.31Å; I307-W311 PolarHBondContact O-N 3.37Å; I308-W311 WeakPolarHBondContact O-CB 3.33Å; I308-W311 PolarHBondContact O-N 3.48Å; W311-S313 VanDerWaalsContact C-N 3.34Å; W311-S313 PolarHBondContact O-N 3.44Å; W311-V314 PolarHBondContact O-N 3.16Å; W311-A315 WeakPolarHBondContact O-CB 3.34Å; W311-A315 PolarHBondContact O-N 3.14Å |
| 312 | I | 85.4 | Confident | 78.1 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 177.2 | -66 | 168.1 | 0 | 0 | 0 | 110.5 | I308 I309 T310 V314 A315 L316 | I308-I312 HydrophobicContact CG2-CD1 3.72Å; I308-I312 HydrophobicContact CG2-CG1 4.39Å; I308-I312 VanDerWaalsContact O-CG1 3.31Å; I308-I312 WeakPolarHBondContact O-CG1 3.32Å; I308-I312 PolarHBondContact O-N 2.83Å; I309-I312 PolarHBondContact O-N 3.46Å; T310-I312 VanDerWaalsContact C-N 3.35Å; T310-I312 PolarHBondContact O-N 2.68Å; I312-V314 VanDerWaalsContact C-N 3.31Å; I312-V314 PolarHBondContact O-N 3.06Å; I312-A315 PolarHBondContact O-N 3.46Å; I312-L316 HydrophobicContact CG2-CD1 3.69Å; I312-L316 HydrophobicContact CG2-CG 4.17Å; I312-L316 WeakPolarHBondContact O-CB 3.29Å; I312-L316 VanDerWaalsContact O-CG 3.3Å; I312-L316 WeakPolarHBondContact O-CG 3.47Å; I312-L316 PolarHBondContact O-N 2.89Å |
| 313 | S | 81.1 | Confident | 76.2 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 178.3 | -59.2 | 0 | 0 | 0 | 0 | 112 | I309 T310 W311 G317 | I309-S313 VanDerWaalsContact O-CB 3.27Å; I309-S313 WeakPolarHBondContact O-CB 3.47Å; I309-S313 PolarHBondContact O-N 2.98Å; I309-S313 PolarHBondContact O-OG 3.34Å; T310-S313 PolarHBondContact O-N 3.48Å; T310-S313 VanDerWaalsContact O-N 3.17Å; W311-S313 VanDerWaalsContact C-N 3.34Å; W311-S313 PolarHBondContact O-N 3.44Å; S313-G317 PolarHBondContact O-N 3.14Å; S313-G317 VanDerWaalsContact O-N 3.11Å |
| 314 | V | 76.4 | Confident | 74.4 | Confident | 34 Ų | 34 | 55 Ų | 55 | 21% | 0.206 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.6 | -40.6 | 173.7 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | F152 A247 T310 W311 I312 G317 | F152-V314 HydrophobicContact CD2-CG1 4.05Å; A247-V314 HydrophobicContact CB-CG2 3.73Å; T310-V314 HydrophobicContact CG2-CG2 4.4Å; T310-V314 WeakPolarHBondContact O-CG2 3.06Å; T310-V314 PolarHBondContact O-N 2.82Å; W311-V314 PolarHBondContact O-N 3.16Å; I312-V314 VanDerWaalsContact C-N 3.31Å; I312-V314 PolarHBondContact O-N 3.06Å; V314-G317 PolarHBondContact O-N 3.49Å; V314-G317 VanDerWaalsContact O-N 3.13Å |
| 315 | A | 76.2 | Confident | 72.6 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 44% | 0.438 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F152 W311 I312 G317 | F152-A315 HydrophobicContact CE2-CB 3.58Å; F152-A315 HydrophobicContact CZ-CB 3.69Å; W311-A315 WeakPolarHBondContact O-CB 3.34Å; W311-A315 PolarHBondContact O-N 3.14Å; I312-A315 PolarHBondContact O-N 3.46Å; A315-G317 VanDerWaalsContact C-N 3.27Å |
| 316 | L | 72.9 | Confident | 70.9 | Confident | 120 Ų | 120 | 57 Ų | 57 | 63% | 0.628 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.5 | 175.3 | -63.5 | 176.7 | 0 | 0 | 0 | 112.6 | N243 I312 | N243-L316 PolarHBondContact ND2-O 3.44Å; I312-L316 HydrophobicContact CG2-CD1 3.69Å; I312-L316 HydrophobicContact CG2-CG 4.17Å; I312-L316 WeakPolarHBondContact O-CB 3.29Å; I312-L316 VanDerWaalsContact O-CG 3.3Å; I312-L316 WeakPolarHBondContact O-CG 3.47Å; I312-L316 PolarHBondContact O-N 2.89Å |
| 317 | G | 63.8 | Low | 69.1 | Low | 22 Ų | 22 | 57.2 Ų | 57.2 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -72.1 | 126.9 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | S313 V314 A315 S319 | S313-G317 PolarHBondContact O-N 3.14Å; S313-G317 VanDerWaalsContact O-N 3.11Å; V314-G317 PolarHBondContact O-N 3.49Å; V314-G317 VanDerWaalsContact O-N 3.13Å; A315-G317 VanDerWaalsContact C-N 3.27Å; G317-S319 PolarHBondContact O-N 3.22Å; G317-S319 VanDerWaalsContact O-N 3.09Å |
| 318 | D | 56.2 | Low | 67.3 | Low | 116 Ų | 116 | 60.1 Ų | 60.1 | 62% | 0.62 | 34% | 0.336 | S | S | * | . | trans | -51.4 | 118.9 | 174.9 | -97.1 | -26.9 | 0 | 0 | 0 | 110.5 | T320 H321 | D318-T320 PolarHBondContact O-N 3.07Å; D318-T320 VanDerWaalsContact O-N 3.13Å; D318-H321 PolarHBondContact O-N 2.92Å | ||
| 319 | S | 54.7 | Low | 65.6 | Low | 98 Ų | 98 | 61.4 Ų | 61.4 | 69% | 0.685 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.9 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | G317 H321 | G317-S319 PolarHBondContact O-N 3.22Å; G317-S319 VanDerWaalsContact O-N 3.09Å; S319-H321 VanDerWaalsContact C-N 3.29Å; S319-H321 PolarHBondContact O-N 2.85Å |
| 320 | T | 47.6 | Very low | 64 | Low | 98 Ų | 98 | 62.9 Ų | 62.9 | 60% | 0.601 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.3 | -177.4 | 55 | 0 | 0 | 0 | 0 | 114.6 | D318 | D318-T320 PolarHBondContact O-N 3.07Å; D318-T320 VanDerWaalsContact O-N 3.13Å |
| 321 | H | 53.1 | Low | 62 | Low | 100 Ų | 100 | 65.4 Ų | 65.4 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | trans | -115.1 | 44.8 | -175.3 | -72.5 | 75 | 0 | 0 | 0 | 113 | L241 D318 S319 R323 | L241-H321 HydrophobicContact CD1-CB 4.46Å; L241-H321 HydrophobicContact CD2-CB 4.26Å; D318-H321 PolarHBondContact O-N 2.92Å; S319-H321 VanDerWaalsContact C-N 3.29Å; S319-H321 PolarHBondContact O-N 2.85Å; H321-R323 PolarHBondContact O-N 3.36Å | ||
| 322 | D | 55.5 | Low | 60 | Low | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.043 | 38% | 0.382 | C | S | . | . | trans | -75.4 | 103 | 163.7 | -179.6 | 14.2 | 0 | 0 | 0 | 110.2 | H144 Q148 L324 T325 T326 | H144-D322 IonicContact CD2-OD2 3Å; H144-D322 PolarHBondContact CD2-OD2 2.99Å; H144-D322 IonicContact CE1-OD2 3.96Å; H144-D322 IonicContact NE2-OD1 3.4Å; H144-D322 PolarHBondContact NE2-OD1 3.23Å; H144-D322 IonicContact NE2-OD2 2.67Å; H144-D322 PolarHBondContact NE2-OD2 2.95Å; Q148-D322 PolarHBondContact NE2-OD1 3.05Å; Q148-D322 PolarHBondContact NE2-OD2 3.37Å; D322-L324 PolarHBondContact O-N 2.93Å; D322-L324 WeakPolarHBondContact OD1-CB 3.29Å; D322-L324 PolarHBondContact OD1-N 2.81Å; D322-T325 PolarHBondContact O-N 3.2Å; D322-T325 VanDerWaalsContact OD2-CB 3.27Å; D322-T325 WeakPolarHBondContact OD2-CB 3.31Å; D322-T325 PolarHBondContact OD2-N 3.2Å; D322-T325 PolarHBondContact OD2-OG1 3.14Å; D322-T326 WeakPolarHBondContact O-CB 3.39Å; D322-T326 PolarHBondContact O-N 3.46Å; D322-T326 PolarHBondContact O-OG1 3.1Å | ||
| 323 | R | 54.5 | Low | 57.8 | Low | 52 Ų | 52 | 69.6 Ų | 69.6 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.2 | -29.9 | 178.8 | -84.9 | -172.5 | 67.2 | -166.3 | -8.1 | 111.8 | C234 H321 T326 T327 | C234-R323 PolarHBondContact SG-NH1 3.44Å; H321-R323 PolarHBondContact O-N 3.36Å; R323-T326 PolarHBondContact O-N 3.04Å; R323-T327 VanDerWaalsContact O-CB 3.25Å; R323-T327 WeakPolarHBondContact O-CB 3.26Å; R323-T327 PolarHBondContact O-N 3.46Å; R323-T327 PolarHBondContact O-OG1 3.12Å |
| 324 | L | 56.5 | Low | 55.9 | Low | 52 Ų | 52 | 76 Ų | 76 | 27% | 0.272 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70 | -49.7 | 180 | -166.7 | 72 | 0 | 0 | 0 | 110 | H144 D322 T326 T327 L328 | H144-L324 WeakPolarHBondContact CE1-CD2 3.49Å; D322-L324 PolarHBondContact O-N 2.93Å; D322-L324 WeakPolarHBondContact OD1-CB 3.29Å; D322-L324 PolarHBondContact OD1-N 2.81Å; L324-T326 VanDerWaalsContact C-N 3.28Å; L324-T326 PolarHBondContact O-N 3.33Å; L324-T327 PolarHBondContact O-N 3.24Å; L324-T327 VanDerWaalsContact O-N 3.09Å; L324-L328 HydrophobicContact CD2-CD1 4.33Å; L324-L328 HydrophobicContact CG-CD1 3.84Å; L324-L328 WeakPolarHBondContact O-CB 3.32Å; L324-L328 WeakPolarHBondContact O-CD1 3.37Å; L324-L328 WeakPolarHBondContact O-CG 3.2Å; L324-L328 PolarHBondContact O-N 3.17Å |
| 325 | T | 57 | Low | 54.3 | Low | 22 Ų | 22 | 81.3 Ų | 81.3 | 14% | 0.135 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 173.3 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | I141 H144 D322 T327 L328 N329 | I141-T325 HydrophobicContact CG2-CG2 4.4Å; H144-T325 PolarHBondContact CD2-OG1 3Å; D322-T325 PolarHBondContact O-N 3.2Å; D322-T325 VanDerWaalsContact OD2-CB 3.27Å; D322-T325 WeakPolarHBondContact OD2-CB 3.31Å; D322-T325 PolarHBondContact OD2-N 3.2Å; D322-T325 PolarHBondContact OD2-OG1 3.14Å; T325-T327 VanDerWaalsContact C-N 3.35Å; T325-T327 PolarHBondContact O-N 3.06Å; T325-L328 PolarHBondContact O-N 3.08Å; T325-N329 WeakPolarHBondContact O-CB 3.19Å; T325-N329 PolarHBondContact O-N 3.48Å |
| 326 | T | 57.6 | Low | 52.3 | Low | 72 Ų | 72 | 81.7 Ų | 81.7 | 44% | 0.442 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62 | -43 | 175.1 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | D322 R323 L324 N329 I330 | D322-T326 WeakPolarHBondContact O-CB 3.39Å; D322-T326 PolarHBondContact O-N 3.46Å; D322-T326 PolarHBondContact O-OG1 3.1Å; R323-T326 PolarHBondContact O-N 3.04Å; L324-T326 VanDerWaalsContact C-N 3.28Å; L324-T326 PolarHBondContact O-N 3.33Å; T326-N329 PolarHBondContact O-N 3.27Å; T326-I330 VanDerWaalsContact O-CG1 3.31Å; T326-I330 WeakPolarHBondContact O-CG1 3.33Å; T326-I330 PolarHBondContact O-N 3.22Å |
| 327 | T | 57.1 | Low | 50.5 | Low | 55 Ų | 55 | 81.7 Ų | 81.7 | 34% | 0.337 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.5 | -35.5 | -177.4 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | R323 L324 T325 N329 I330 | R323-T327 VanDerWaalsContact O-CB 3.25Å; R323-T327 WeakPolarHBondContact O-CB 3.26Å; R323-T327 PolarHBondContact O-N 3.46Å; R323-T327 PolarHBondContact O-OG1 3.12Å; L324-T327 PolarHBondContact O-N 3.24Å; L324-T327 VanDerWaalsContact O-N 3.09Å; T325-T327 VanDerWaalsContact C-N 3.35Å; T325-T327 PolarHBondContact O-N 3.06Å; T327-N329 VanDerWaalsContact C-N 3.32Å; T327-I330 PolarHBondContact O-N 3.35Å |
| 328 | L | 54.9 | Low | 49 | Very low | 62 Ų | 62 | 84.8 Ų | 84.8 | 33% | 0.325 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.9 | -32.4 | 172.3 | -76.9 | 158.2 | 0 | 0 | 0 | 112.2 | L137 V140 L324 T325 I330 | L137-L328 HydrophobicContact CD1-CB 4.44Å; L137-L328 HydrophobicContact CD1-CD2 4.23Å; V140-L328 HydrophobicContact CG1-CD1 4.5Å; L324-L328 HydrophobicContact CD2-CD1 4.33Å; L324-L328 HydrophobicContact CG-CD1 3.84Å; L324-L328 WeakPolarHBondContact O-CB 3.32Å; L324-L328 WeakPolarHBondContact O-CD1 3.37Å; L324-L328 WeakPolarHBondContact O-CG 3.2Å; L324-L328 PolarHBondContact O-N 3.17Å; T325-L328 PolarHBondContact O-N 3.08Å; L328-I330 VanDerWaalsContact C-N 3.34Å |
| 329 | N | 55.3 | Low | 47.9 | Very low | 72 Ų | 72 | 84.5 Ų | 84.5 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -9.9 | 173.4 | -93.3 | -20.6 | 0 | 0 | 0 | 114.1 | T325 T326 T327 N331 | T325-N329 WeakPolarHBondContact O-CB 3.19Å; T325-N329 PolarHBondContact O-N 3.48Å; T326-N329 PolarHBondContact O-N 3.27Å; T327-N329 VanDerWaalsContact C-N 3.32Å; N329-N331 PolarHBondContact O-N 3.29Å |
| 330 | I | 55.4 | Low | 46.7 | Very low | 99 Ų | 99 | 87.7 Ų | 87.7 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -75 | 99.2 | 174.2 | -69.7 | 164.4 | 0 | 0 | 0 | 108.5 | T326 T327 L328 P332 | T326-I330 VanDerWaalsContact O-CG1 3.31Å; T326-I330 WeakPolarHBondContact O-CG1 3.33Å; T326-I330 PolarHBondContact O-N 3.22Å; T327-I330 PolarHBondContact O-N 3.35Å; L328-I330 VanDerWaalsContact C-N 3.34Å; I330-P332 WeakPolarHBondContact O-CD 3.41Å |
| 331 | N | 43.6 | Very low | 45.9 | Very low | 52 Ų | 52 | 90.4 Ų | 90.4 | 28% | 0.278 | 51% | 0.512 | S | S | . | . | trans | -59.7 | 118.8 | 175.9 | -163.6 | -18.3 | 0 | 0 | 0 | 110.7 | N329 M333 K334 | N329-N331 PolarHBondContact O-N 3.29Å; N331-M333 PolarHBondContact O-N 3.23Å; N331-M333 VanDerWaalsContact O-N 3.12Å; N331-M333 PolarHBondContact OD1-N 3.33Å; N331-K334 PolarHBondContact O-N 3.44Å; N331-K334 VanDerWaalsContact O-N 3.1Å | ||
| 332 | P | 45.4 | Very low | 44.8 | Very low | 109 Ų | 109 | 92.8 Ų | 92.8 | 71% | 0.708 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -61.9 | -18.2 | 176.2 | 22.5 | -30.8 | 0 | 0 | 0 | 113 | I330 K334 | I330-P332 WeakPolarHBondContact O-CD 3.41Å; P332-K334 VanDerWaalsContact C-N 3.35Å; P332-K334 PolarHBondContact O-N 3.35Å |
| 333 | M | 38.7 | Very low | 43.8 | Very low | 146 Ų | 146 | 100.2 Ų | 100.2 | 72% | 0.719 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -71.5 | -23.1 | 174.6 | -79.1 | -179.7 | 166.7 | 0 | 0 | 114.1 | N331 I335 G336 | N331-M333 PolarHBondContact O-N 3.23Å; N331-M333 VanDerWaalsContact O-N 3.12Å; N331-M333 PolarHBondContact OD1-N 3.33Å; M333-I335 PolarHBondContact O-N 3.27Å; M333-G336 PolarHBondContact O-N 3.41Å |
| 334 | K | 41.2 | Very low | 42.7 | Very low | 153 Ų | 153 | 106.9 Ų | 106.9 | 67% | 0.665 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -75.4 | -10.2 | -179.9 | -111.1 | -179.4 | -179.6 | 175.3 | 0 | 113.8 | N331 P332 | N331-K334 PolarHBondContact O-N 3.44Å; N331-K334 VanDerWaalsContact O-N 3.1Å; P332-K334 VanDerWaalsContact C-N 3.35Å; P332-K334 PolarHBondContact O-N 3.35Å |
| 335 | I | 43.5 | Very low | 41.6 | Very low | 147 Ų | 147 | 109.9 Ų | 109.9 | 75% | 0.754 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -88.9 | -14.7 | 176.4 | -61.7 | 171.6 | 0 | 0 | 0 | 110.8 | M333 | M333-I335 PolarHBondContact O-N 3.27Š|
| 336 | G | 34.8 | Very low | 40.7 | Very low | 60 Ų | 60 | 120.4 Ų | 120.4 | 62% | 0.619 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -20.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117 | M333 G338 | M333-G336 PolarHBondContact O-N 3.41Å; G336-G338 PolarHBondContact O-N 2.84Å |
| 337 | D | 33.5 | Very low | 39.9 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 64% | 0.642 | 69% | 0.69 | S | S | * | * | trans | -96.1 | 28 | -168.5 | -97.6 | -16.5 | 0 | 0 | 0 | 115.6 | S339 | D337-S339 PolarHBondContact O-N 3.45Š| ||
| 338 | G | 33.8 | Very low | 39 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 90% | 0.897 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 6.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G336 | G336-G338 PolarHBondContact O-N 2.84Š|
| 339 | S | 31.6 | Very low | 38.1 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.8 | 32.4 | -167.3 | -170.5 | 0 | 0 | 0 | 0 | 115.2 | D337 | D337-S339 PolarHBondContact O-N 3.45Š|
| 340 | Q | 30.7 | Very low | 37.1 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | trans | -121.2 | 31.2 | 174.3 | -80.8 | -158.6 | -4.4 | 0 | 0 | 115.4 | ||||
| 341 | N | 29.8 | Very low | 35.9 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -95.3 | 89.6 | 160.8 | -79.7 | -9.2 | 0 | 0 | 0 | 109.5 | ||||
| 342 | N | 29.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 155.9 | 108.4 | 147.1 | -80.9 | -23 | 0 | 0 | 0 | 108.6 | ||||
| 343 | I | 34.5 | Very low | 34.7 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 169.1 | 94.4 | 140.5 | -78.5 | 146.8 | 0 | 0 | 0 | 105 | ||||
| 344 | Q | 31.2 | Very low | 34.4 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -81.4 | 134 | 153.7 | -101.5 | -171.6 | -36 | 0 | 0 | 107.1 | ||||
| 345 | P | 34.7 | Very low | 33.8 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -83.5 | 127.5 | 173 | 32.9 | -28.1 | 0 | 0 | 0 | 109.7 | ||||
| 346 | N | 38.2 | Very low | 33 | Very low | 243 Ų | 243 | 142 Ų | 142 | 100% | 1.299 | 83% | 0.829 | S | S | * | * | trans | -118.6 | 0 | 147.4 | -110 | 4.3 | 0 | 0 | 0 | 107 |
Retrieved 346 of 346 residues in 339.3 ms
(Link to these results)