| 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 | 33.2 | Very low | 32.2 | Very low | 250 Ų | 250 | 143.3 Ų | 143.3 | 100% | 1.232 | 88% | 0.875 | S | S | * | * | 0 | 157.4 | 0 | -77.9 | 171.1 | 157.9 | 0 | 0 | 108.2 | |||||
| 2 | S | 33.2 | Very low | 31.9 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 87% | 0.873 | S | S | * | * | trans | -66.2 | 172.7 | 173.3 | -43 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3 | S | 32.3 | Very low | 31.7 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 83% | 0.832 | 88% | 0.876 | S | S | * | * | cis | -147.4 | 162.5 | 15.6 | -166.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 4 | A | 33.5 | Very low | 31.5 | Very low | 93 Ų | 93 | 146.8 Ų | 146.8 | 77% | 0.769 | 88% | 0.881 | S | S | * | * | trans | -85 | 163.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 5 | A | 33.2 | Very low | 31.3 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 85% | 0.851 | 88% | 0.876 | S | S | * | * | trans | -107.7 | 166.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | A | 34.6 | Very low | 31.4 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 84% | 0.835 | 88% | 0.875 | S | S | * | * | trans | -99.7 | 148.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 7 | E | 30.8 | Very low | 31.6 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 93% | 0.93 | 87% | 0.871 | S | S | * | * | trans | -118.2 | 156.8 | 161.5 | -65.9 | -178.8 | 146.7 | 0 | 0 | 108 | ||||
| 8 | E | 30.5 | Very low | 31.6 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 92% | 0.921 | 87% | 0.868 | S | S | * | * | trans | -130.5 | 133.1 | -173.2 | -167.7 | 166.9 | -139.9 | 0 | 0 | 110 | ||||
| 9 | E | 30.6 | Very low | 31.6 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | trans | -117.2 | 163 | -168.6 | -98.1 | -90.6 | 112.3 | 0 | 0 | 111.5 | ||||
| 10 | P | 33.5 | Very low | 31.7 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 70% | 0.701 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 160.5 | -154.8 | 33.4 | -37 | 0 | 0 | 0 | 116.3 | ||
| 11 | A | 28.9 | Very low | 31.8 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -96 | 154.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 12 | A | 28.4 | Very low | 31.9 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 166.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 13 | L | 29.7 | Very low | 31.9 | Very low | 176 Ų | 176 | 131 Ų | 131 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 139.2 | 173.2 | -65.6 | 164 | 0 | 0 | 0 | 111.6 | ||
| 14 | E | 28.9 | Very low | 32 | Very low | 200 Ų | 200 | 129.9 Ų | 129.9 | 94% | 0.935 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 157.2 | 170.6 | -79.3 | -159.3 | 124.7 | 0 | 0 | 113.3 | ||
| 15 | S | 28.9 | Very low | 32.2 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -115.1 | 136.7 | -174.8 | -180 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 16 | V | 32.7 | Very low | 32.5 | Very low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 143.7 | 176.3 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 17 | K | 34 | Very low | 32.8 | Very low | 188 Ų | 188 | 129.7 Ų | 129.7 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 150.5 | -172.5 | -65.1 | 179.3 | -177.9 | 177.7 | 0 | 112.9 | ||
| 18 | P | 31.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -75 | 150.4 | -177.1 | 30.7 | -36.3 | 0 | 0 | 0 | 113.8 | ||
| 19 | V | 32.8 | Very low | 33.2 | Very low | 88 Ų | 88 | 119.9 Ų | 119.9 | 53% | 0.533 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -96.3 | 150 | 168.7 | 177 | 0 | 0 | 0 | 0 | 109 | L31 | V19-L31 HydrophobicContact CG1-CD2 3.78Š|
| 20 | T | 34 | Very low | 33.4 | Very low | 102 Ų | 102 | 114.9 Ų | 114.9 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | trans | -112.6 | 139.9 | 177.7 | -43.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 21 | L | 33.7 | Very low | 33.4 | Very low | 108 Ų | 108 | 115.7 Ų | 115.7 | 57% | 0.565 | 68% | 0.68 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115 | 140.7 | -179.4 | -64.6 | 169.4 | 0 | 0 | 0 | 110 | I29 L31 | L21-I29 HydrophobicContact CB-CG2 4.32Å; L21-I29 HydrophobicContact CD2-CG2 3.98Å; L21-L31 HydrophobicContact CD2-CD2 3.52Å; L21-L31 HydrophobicContact CD2-CG 3.63Å |
| 22 | T | 33.8 | Very low | 33.6 | Very low | 72 Ų | 72 | 116.4 Ų | 116.4 | 44% | 0.442 | 67% | 0.665 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133 | 158.6 | 172.2 | 49.1 | 0 | 0 | 0 | 0 | 110.4 | I29 I30 | T22-I29 WeakPolarHBondContact O-CA 3.45Å; T22-I30 PolarHBondContact N-O 3.31Å; T22-I30 PolarHBondContact O-N 3.4Å |
| 23 | H | 34.2 | Very low | 33.9 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 58% | 0.583 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128.1 | 129.7 | -171.7 | -177.1 | -66.2 | 0 | 0 | 0 | 109 | ||
| 24 | D | 35.1 | Very low | 34.1 | Very low | 94 Ų | 94 | 113.2 Ų | 113.2 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | trans | -90.7 | 172.9 | 179.6 | -155.6 | -3.4 | 0 | 0 | 0 | 111.8 | D26 G27 S28 | D24-D26 PolarHBondContact O-N 3.13Å; D24-D26 VanDerWaalsContact O-N 3.1Å; D24-G27 PolarHBondContact O-N 3.08Å; D24-S28 PolarHBondContact N-O 3.1Å; D24-S28 VanDerWaalsContact N-O 3.08Å | ||
| 25 | S | 36.6 | Very low | 34.3 | Very low | 103 Ų | 103 | 109.3 Ų | 109.3 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -27 | -176.2 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 26 | D | 40.6 | Very low | 34.4 | Very low | 139 Ų | 139 | 110.4 Ų | 110.4 | 74% | 0.743 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 23.7 | -167.4 | -64.8 | 16.6 | 0 | 0 | 0 | 112.6 | D24 S28 | D24-D26 PolarHBondContact O-N 3.13Å; D24-D26 VanDerWaalsContact O-N 3.1Å; D26-S28 VanDerWaalsContact C-N 3.34Å; D26-S28 PolarHBondContact O-N 3.4Å |
| 27 | G | 40.3 | Very low | 34.3 | Very low | 51 Ų | 51 | 112.3 Ų | 112.3 | 53% | 0.526 | 64% | 0.638 | S | S | . | * | S | Bend | trans | 81.1 | 4.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | D24 | D24-G27 PolarHBondContact O-N 3.08Š|
| 28 | S | 33.1 | Very low | 34.2 | Very low | 75 Ų | 75 | 112 Ų | 112 | 52% | 0.524 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -94.5 | 133.5 | -178.7 | -66 | 0 | 0 | 0 | 0 | 112 | D24 D26 | D24-S28 PolarHBondContact N-O 3.1Å; D24-S28 VanDerWaalsContact N-O 3.08Å; D26-S28 VanDerWaalsContact C-N 3.34Å; D26-S28 PolarHBondContact O-N 3.4Å |
| 29 | I | 35.4 | Very low | 34.3 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 59% | 0.59 | 63% | 0.634 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.5 | 176.3 | -57.6 | 174.8 | 0 | 0 | 0 | 109.1 | L21 T22 | L21-I29 HydrophobicContact CB-CG2 4.32Å; L21-I29 HydrophobicContact CD2-CG2 3.98Å; T22-I29 WeakPolarHBondContact O-CA 3.45Å |
| 30 | I | 35.2 | Very low | 34.1 | Very low | 78 Ų | 78 | 116.8 Ų | 116.8 | 40% | 0.4 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.4 | 179.4 | -58.7 | -179.8 | 0 | 0 | 0 | 109.9 | T22 | T22-I30 PolarHBondContact N-O 3.31Å; T22-I30 PolarHBondContact O-N 3.4Å |
| 31 | L | 34.4 | Very low | 33.8 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.6 | 108.4 | 179.4 | -103.9 | 164.2 | 0 | 0 | 0 | 110.7 | V19 L21 C33 | V19-L31 HydrophobicContact CG1-CD2 3.78Å; L21-L31 HydrophobicContact CD2-CD2 3.52Å; L21-L31 HydrophobicContact CD2-CG 3.63Å; L31-C33 PolarHBondContact O-N 3.48Å |
| 32 | H | 32.9 | Very low | 33.4 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 56% | 0.56 | 66% | 0.662 | S | S | * | * | trans | -87.4 | 92.1 | 174.1 | -71.7 | -71.9 | 0 | 0 | 0 | 111.1 | ||||
| 33 | C | 34.6 | Very low | 33.1 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 71% | 0.709 | 68% | 0.681 | S | S | * | * | trans | -94.9 | 127.2 | 172.5 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | L31 S35 | L31-C33 PolarHBondContact O-N 3.48Å; C33-S35 PolarHBondContact O-N 2.88Å | ||
| 34 | P | 33.2 | Very low | 32.7 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | -79.3 | 114 | -179.6 | 30.1 | -33.3 | 0 | 0 | 0 | 112.2 | N36 | P34-N36 PolarHBondContact O-N 3.19Š| ||
| 35 | S | 32.9 | Very low | 32.4 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -60.1 | 115.4 | 173.8 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | C33 E37 | C33-S35 PolarHBondContact O-N 2.88Å; S35-E37 VanDerWaalsContact C-N 3.34Å; S35-E37 PolarHBondContact O-N 3.2Å; S35-E37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | N | 31.1 | Very low | 32 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | trans | -89.4 | 63.1 | -175.4 | -168.4 | 19.3 | 0 | 0 | 0 | 111.9 | P34 | P34-N36 PolarHBondContact O-N 3.19Š| ||
| 37 | E | 31 | Very low | 31.5 | Very low | 180 Ų | 180 | 126.7 Ų | 126.7 | 84% | 0.841 | 70% | 0.7 | S | S | * | * | trans | -65.5 | 141.2 | 165 | -70.7 | -165.6 | 156.5 | 0 | 0 | 110.5 | S35 | S35-E37 VanDerWaalsContact C-N 3.34Å; S35-E37 PolarHBondContact O-N 3.2Å; S35-E37 VanDerWaalsContact O-N 3.13Å | ||
| 38 | K | 32.1 | Very low | 30.9 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | trans | -131.1 | 141.9 | 165 | -84.8 | -173.9 | 176.9 | 175.9 | 0 | 111.6 | ||||
| 39 | P | 33 | Very low | 30.7 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 74% | 0.74 | 72% | 0.723 | S | S | * | * | trans | -97.5 | 161.3 | -159.1 | 37.7 | -37.9 | 0 | 0 | 0 | 114.3 | ||||
| 40 | K | 28.9 | Very low | 30.1 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | trans | -167.7 | 96.3 | 131.3 | -105.1 | 158.6 | -174.8 | 179.9 | 0 | 114.3 | ||||
| 41 | T | 27.6 | Very low | 30.2 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 41.8 | 116.1 | 132.2 | 51.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 42 | T | 26.3 | Very low | 29.8 | Very low | 123 Ų | 123 | 139 Ų | 139 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | 70.8 | 106.3 | 129.6 | 61.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 43 | T | 27.3 | Very low | 29.4 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | 156.5 | 140 | 114.1 | 45.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 44 | S | 25.6 | Very low | 29 | Very low | 86 Ų | 86 | 143.5 Ų | 143.5 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | cis | -176.5 | 158 | -9 | 46.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 45 | F | 28.5 | Very low | 28.6 | Very low | 178 Ų | 178 | 148 Ų | 148 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | trans | 71.4 | 120 | -178.9 | -61.3 | -84.8 | 0 | 0 | 0 | 113.4 | ||||
| 46 | D | 28 | Very low | 28.2 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | 70.9 | 133.9 | 82 | -65 | -33.4 | 0 | 0 | 0 | 112.1 | |||||
| 47 | E | 30.5 | Very low | 27.8 | Very low | 173 Ų | 173 | 152.2 Ų | 152.2 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | cis | -153.7 | 168.3 | 27 | -132.7 | 169.5 | 178.4 | 0 | 0 | 113.5 | ||||
| 48 | E | 28.1 | Very low | 27.4 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 55.2 | 113.7 | 155.2 | -63.4 | -146.3 | 118.6 | 0 | 0 | 125.9 | ||||
| 49 | L | 28.9 | Very low | 27 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | 86 | 119.3 | 124.3 | -64.2 | 175.5 | 0 | 0 | 0 | 124.8 | |||||
| 50 | E | 22.7 | Very low | 26.7 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | trans | -85.8 | -172.9 | 154.6 | -121.6 | -155 | -159.1 | 0 | 0 | 110.5 | L52 | E50-L52 WeakPolarHBondContact OE2-CD1 3.49Š| ||
| 51 | P | 36.6 | Very low | 26.8 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | cis | -139.5 | -178.2 | 14.3 | 33.5 | -8.7 | 0 | 0 | 0 | 118.3 | ||||
| 52 | L | 25.5 | Very low | 26.8 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 67% | 0.665 | 74% | 0.738 | S | S | * | * | trans | -45 | 159.9 | 172.3 | -47.7 | 91.3 | 0 | 0 | 0 | 118.5 | E50 | E50-L52 WeakPolarHBondContact OE2-CD1 3.49Š| ||
| 53 | Q | 25.6 | Very low | 26.8 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | 170.5 | 140.4 | 109 | -91.6 | 176.1 | 47 | 0 | 0 | 119.1 | |||||
| 54 | K | 24.9 | Very low | 26.7 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | 68.1 | 118.9 | 138.6 | -68.4 | 169.3 | -178.7 | 159.1 | 0 | 125.3 | ||||
| 55 | K | 26.1 | Very low | 26.8 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | 4.6 | 151.4 | 132.9 | -62.3 | 179.7 | 174.7 | -179.2 | 0 | 121.9 | ||||
| 56 | T | 23.9 | Very low | 26.6 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 87% | 0.871 | 75% | 0.746 | S | S | * | * | trans | 146.4 | 150.2 | 141.6 | -70.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 57 | R | 22.9 | Very low | 27.2 | Very low | 205 Ų | 205 | 145.5 Ų | 145.5 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | cis | -171.5 | 176.7 | -30.4 | 173.8 | 168.4 | 170.2 | 177.2 | -1.8 | 106.7 | ||||
| 58 | V | 22.6 | Very low | 26.9 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 126.1 | 125.3 | 148.7 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 59 | S | 23.6 | Very low | 26.7 | Very low | 73 Ų | 73 | 148 Ų | 148 | 51% | 0.51 | 75% | 0.752 | S | S | . | * | cis | 92.8 | 126.2 | 15.6 | -54.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 60 | T | 27.5 | Very low | 26.5 | Very low | 109 Ų | 109 | 146 Ų | 146 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | cis | -162.7 | -171.5 | -13.4 | -21.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 61 | E | 29.2 | Very low | 26.6 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | trans | 73.2 | 147.3 | 144.7 | -81.2 | 151.6 | -120.2 | 0 | 0 | 120.1 | ||||
| 62 | E | 29.5 | Very low | 26 | Very low | 150 Ų | 150 | 145.5 Ų | 145.5 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -163.2 | -175.2 | -14.6 | -138.5 | -177.6 | -162.7 | 0 | 0 | 113 | ||||
| 63 | N | 24.5 | Very low | 26 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | trans | 73.4 | 138 | 170.8 | -62.6 | -63.8 | 0 | 0 | 0 | 117.9 | ||||
| 64 | L | 27.1 | Very low | 26 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | cis | 124.6 | 116.8 | -0.4 | -87.3 | 177.5 | 0 | 0 | 0 | 110.9 | ||||
| 65 | E | 25.8 | Very low | 25.9 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | -177.3 | 158.4 | 125 | -102.8 | 179.6 | -171.3 | 0 | 0 | 112.2 | |||||
| 66 | T | 25.8 | Very low | 25.8 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | -154 | -172.8 | -178.7 | 62.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 67 | P | 39.6 | Very low | 25.8 | Very low | 105 Ų | 105 | 145 Ų | 145 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | cis | -138.7 | -178.3 | -2.9 | 43.4 | -26.7 | 0 | 0 | 0 | 115.5 | ||||
| 68 | Q | 25.6 | Very low | 25.9 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | trans | -162.4 | 157.1 | 131.1 | -112.8 | 175.5 | 9.6 | 0 | 0 | 113.2 | ||||
| 69 | F | 23.8 | Very low | 25.9 | Very low | 194 Ų | 194 | 141 Ų | 141 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | -78.6 | 162.2 | 177.9 | -72.1 | -120.5 | 0 | 0 | 0 | 110 | ||||
| 70 | S | 23.8 | Very low | 25.9 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | cis | -163 | 177.4 | 27.4 | 80.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 71 | V | 24.2 | Very low | 25.7 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | cis | -165.4 | 158.1 | -13.6 | 117.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 72 | I | 24.2 | Very low | 25.4 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | trans | -0.5 | 131.3 | 153.9 | -42.1 | 162.9 | 0 | 0 | 0 | 116.8 | ||||
| 73 | T | 25.5 | Very low | 25.3 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | cis | -136.5 | 170.2 | 35.7 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 74 | N | 26.1 | Very low | 25.4 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | cis | -147.7 | 160.3 | -9.2 | -118.9 | 0.5 | 0 | 0 | 0 | 110.3 | ||||
| 75 | F | 23.4 | Very low | 25.3 | Very low | 173 Ų | 173 | 147 Ų | 147 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -76.7 | 144.1 | 178.3 | -114.2 | -123.3 | 0 | 0 | 0 | 113.2 | F77 | F75-F77 HydrophobicContact CD1-CD2 4.23Å; F75-F77 AromaticContact CE1-CD2 3.61Å; F75-F77 HydrophobicContact CE1-CD2 3.61Å; F75-F77 HydrophobicContact CE1-CE2 4.12Å; F75-F77 HydrophobicContact CZ-CD2 4.36Å | ||
| 76 | L | 22.7 | Very low | 26.1 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | -147.1 | 142.4 | 124.1 | -163.5 | 61.3 | 0 | 0 | 0 | 109.7 | |||||
| 77 | F | 24.5 | Very low | 26 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | trans | -92.9 | 154.4 | -169.3 | -144.7 | -110 | 0 | 0 | 0 | 111.8 | F75 | F75-F77 HydrophobicContact CD1-CD2 4.23Å; F75-F77 AromaticContact CE1-CD2 3.61Å; F75-F77 HydrophobicContact CE1-CD2 3.61Å; F75-F77 HydrophobicContact CE1-CE2 4.12Å; F75-F77 HydrophobicContact CZ-CD2 4.36Å | ||
| 78 | S | 25.2 | Very low | 25.4 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -134.2 | 125.8 | 175.2 | 176.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | L | 23.1 | Very low | 25.4 | Very low | 144 Ų | 144 | 150 Ų | 150 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -158 | 116.5 | 162.9 | -142.4 | 80.3 | 0 | 0 | 0 | 114 | ||||
| 80 | L | 22.7 | Very low | 25.5 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 14.8 | 115.3 | 143.9 | -62.1 | 162.2 | 0 | 0 | 0 | 121.2 | ||||
| 81 | V | 23.1 | Very low | 25.6 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -142.2 | 121.9 | 134.3 | -179 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 82 | S | 24 | Very low | 25.6 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | 75.6 | 150.3 | 68.3 | -140.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 83 | E | 26 | Very low | 25.9 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -82.6 | 150.3 | -155 | -64.2 | 171.3 | 108 | 0 | 0 | 116.7 | ||||
| 84 | N | 27.1 | Very low | 25.9 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | 41.5 | 119.6 | 154.7 | -62.5 | 3.7 | 0 | 0 | 0 | 121.2 | ||||
| 85 | D | 25.7 | Very low | 26.1 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | -156.2 | 166.3 | 92.7 | -112.5 | -18.8 | 0 | 0 | 0 | 111.6 | |||||
| 86 | E | 41.3 | Very low | 26.5 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -76 | 121.8 | -177.6 | -74.6 | -169.9 | 123.2 | 0 | 0 | 112.9 | ||||
| 87 | S | 24.2 | Very low | 26.9 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -142.9 | 144.5 | 156.8 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 88 | F | 28.3 | Very low | 27.2 | Very low | 207 Ų | 207 | 141.4 Ų | 141.4 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | -83.3 | 126.8 | 179.8 | -117.6 | -110.9 | 0 | 0 | 0 | 109.7 | V90 | F88-V90 HydrophobicContact CD1-CG2 4.32Š| ||
| 89 | E | 24.3 | Very low | 27.5 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -108.9 | 121.1 | 168.4 | -169.8 | 171.4 | -158 | 0 | 0 | 110.3 | ||||
| 90 | V | 26.4 | Very low | 27.8 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 71% | 0.709 | 82% | 0.82 | S | S | * | * | trans | -109.9 | 100.4 | 177.7 | 178 | 0 | 0 | 0 | 0 | 108.5 | F88 M92 | F88-V90 HydrophobicContact CD1-CG2 4.32Å; V90-M92 HydrophobicContact CG1-CG 4.49Å; V90-M92 PolarHBondContact O-N 3.15Å | ||
| 91 | T | 24.9 | Very low | 28.3 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 68% | 0.681 | 82% | 0.82 | S | S | * | * | trans | -89 | 102.2 | 178.9 | -41 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 92 | M | 25.3 | Very low | 29.2 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | trans | -88.5 | 121 | 167.3 | -67.9 | -164.1 | 76.1 | 0 | 0 | 110.8 | V90 | V90-M92 HydrophobicContact CG1-CG 4.49Å; V90-M92 PolarHBondContact O-N 3.15Å | ||
| 93 | T | 29.4 | Very low | 30 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 77% | 0.767 | 83% | 0.827 | S | S | * | * | trans | -101.8 | 102.1 | 171.5 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 94 | A | 26.4 | Very low | 30.2 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -84.9 | 124.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 95 | T | 30.1 | Very low | 30.6 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 87% | 0.871 | 82% | 0.824 | S | S | * | * | trans | -114.4 | 114.6 | 166.1 | 51.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 96 | A | 32.1 | Very low | 30.6 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -130 | 117.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 97 | E | 32.1 | Very low | 29.9 | Very low | 205 Ų | 205 | 140.8 Ų | 140.8 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | trans | -122.6 | 128.9 | 153.2 | -72.8 | -167.5 | 152.8 | 0 | 0 | 106.7 | ||||
| 98 | G | 30 | Very low | 30.1 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 150.1 | 122.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 99 | D | 31.1 | Very low | 29.9 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -88.4 | 132.9 | -176.4 | -87.9 | -46.7 | 0 | 0 | 0 | 113.5 | ||||
| 100 | L | 29.2 | Very low | 30 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | 65.7 | 163.6 | 150.5 | -60.5 | 171.5 | 0 | 0 | 0 | 118.2 | ||||
| 101 | P | 34.2 | Very low | 29.9 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | cis | -116.7 | -168.4 | -1.7 | 42.6 | -30.2 | 0 | 0 | 0 | 113.9 | ||||
| 102 | E | 42.6 | Very low | 30.1 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -75.8 | 162.8 | 177.7 | -65.2 | -176.5 | 122.7 | 0 | 0 | 114.8 | ||||
| 103 | D | 40.6 | Very low | 30.3 | Very low | 165 Ų | 165 | 144 Ų | 144 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | 66.7 | 97.2 | 164.7 | -149.7 | 19.7 | 0 | 0 | 0 | 118 | ||||
| 104 | G | 29.2 | Very low | 30.2 | Very low | 64 Ų | 64 | 145.4 Ų | 145.4 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | trans | -173.3 | 103.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T106 | G104-T106 PolarHBondContact O-N 3.01Š| ||
| 105 | V | 35.3 | Very low | 30.6 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -73.4 | 119.6 | 177.4 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 106 | T | 26.3 | Very low | 30.8 | Very low | 123 Ų | 123 | 151 Ų | 151 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -102 | 114.7 | 170.6 | 43.5 | 0 | 0 | 0 | 0 | 110.7 | G104 | G104-T106 PolarHBondContact O-N 3.01Š| ||
| 107 | E | 26.7 | Very low | 30.9 | Very low | 188 Ų | 188 | 155.1 Ų | 155.1 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -75.6 | 125.6 | 175.8 | -172.1 | 165.4 | -151.2 | 0 | 0 | 109.8 | ||||
| 108 | I | 27 | Very low | 31.1 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | trans | -102 | 99.1 | -178.4 | -57.5 | 177.9 | 0 | 0 | 0 | 108.8 | I110 | I108-I110 HydrophobicContact CG2-CG1 4.39Å; I108-I110 PolarHBondContact O-N 3.41Å; I108-I110 VanDerWaalsContact O-N 3.1Å | ||
| 109 | E | 24.2 | Very low | 31.8 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -65.4 | 106.1 | 165.5 | -76.4 | -167 | 117.3 | 0 | 0 | 109.9 | L111 | E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 3.1Å | ||
| 110 | I | 26.6 | Very low | 32.7 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -77 | 89 | 169.4 | -56.4 | 178 | 0 | 0 | 0 | 107.9 | I108 H112 | I108-I110 HydrophobicContact CG2-CG1 4.39Å; I108-I110 PolarHBondContact O-N 3.41Å; I108-I110 VanDerWaalsContact O-N 3.1Å; I110-H112 PolarHBondContact O-N 3.39Å | ||
| 111 | L | 25 | Very low | 34 | Very low | 147 Ų | 147 | 150 Ų | 150 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -58 | 118.8 | 165.9 | -72.4 | 171.5 | 0 | 0 | 0 | 109 | E109 E113 | E109-L111 VanDerWaalsContact C-N 3.33Å; E109-L111 PolarHBondContact O-N 3.1Å; L111-E113 PolarHBondContact O-N 3.49Å; L111-E113 VanDerWaalsContact O-N 3.15Å | ||
| 112 | H | 29.7 | Very low | 35.3 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | trans | -67.9 | 108.1 | 167 | -91.4 | 81.6 | 0 | 0 | 0 | 108.5 | I110 D114 | I110-H112 PolarHBondContact O-N 3.39Å; H112-D114 PolarHBondContact O-N 3.45Å | ||
| 113 | E | 28.3 | Very low | 36.1 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | trans | -67.2 | 123.9 | 157.1 | -70 | -163.5 | 140 | 0 | 0 | 108.3 | L111 | L111-E113 PolarHBondContact O-N 3.49Å; L111-E113 VanDerWaalsContact O-N 3.15Å | ||
| 114 | D | 28.6 | Very low | 37.2 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 68% | 0.679 | S | S | * | * | trans | -60 | 146 | -179.9 | -89 | -52.3 | 0 | 0 | 0 | 111.7 | H112 E116 | H112-D114 PolarHBondContact O-N 3.45Å; D114-E116 VanDerWaalsContact C-N 3.33Å; D114-E116 PolarHBondContact O-N 3.27Å | ||
| 115 | K | 33.6 | Very low | 39 | Very low | 203 Ų | 203 | 128.5 Ų | 128.5 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | trans | -67.4 | 85.8 | 179 | -71.5 | 176.4 | 177.8 | 171.1 | 0 | 111.3 | Q117 | K115-Q117 PolarHBondContact O-N 2.8Š| ||
| 116 | E | 35 | Very low | 40.5 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | trans | -52.6 | 129.6 | 157.4 | -82.4 | -148.7 | 135.4 | 0 | 0 | 108.3 | D114 K118 | D114-E116 VanDerWaalsContact C-N 3.33Å; D114-E116 PolarHBondContact O-N 3.27Å; E116-K118 PolarHBondContact O-N 3.25Å | ||
| 117 | Q | 34 | Very low | 42.5 | Very low | 184 Ų | 184 | 122.7 Ų | 122.7 | 86% | 0.86 | 61% | 0.611 | S | S | * | * | trans | -65.1 | 124.1 | -170.3 | -66.2 | 162.5 | -3.7 | 0 | 0 | 109.4 | K115 A119 | K115-Q117 PolarHBondContact O-N 2.8Å; Q117-A119 PolarHBondContact O-N 2.7Å | ||
| 118 | K | 36.9 | Very low | 44.7 | Very low | 194 Ų | 194 | 118 Ų | 118 | 84% | 0.843 | 59% | 0.585 | S | S | * | * | trans | -64.8 | 75.4 | 179.5 | -171.5 | 179.1 | 179.8 | -179 | 0 | 110.3 | E116 E120 | E116-K118 PolarHBondContact O-N 3.25Å; K118-E120 PolarHBondContact O-N 3.21Å | ||
| 119 | A | 44.1 | Very low | 46.8 | Very low | 60 Ų | 60 | 118.3 Ų | 118.3 | 50% | 0.496 | 58% | 0.581 | S | S | . | * | trans | -61.3 | 118.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q117 V121 | Q117-A119 PolarHBondContact O-N 2.7Å; A119-V121 PolarHBondContact O-N 3.29Å; A119-V121 VanDerWaalsContact O-N 3.09Å | ||
| 120 | E | 49.6 | Very low | 49 | Very low | 174 Ų | 174 | 112 Ų | 112 | 81% | 0.813 | 56% | 0.555 | S | S | * | * | trans | -58.4 | 114.5 | -173 | -167 | -177.9 | 167.4 | 0 | 0 | 110.8 | K118 S122 | K118-E120 PolarHBondContact O-N 3.21Å; E120-S122 PolarHBondContact O-N 3.09Å | ||
| 121 | V | 56.7 | Low | 51.2 | Low | 59 Ų | 59 | 108.2 Ų | 108.2 | 36% | 0.358 | 54% | 0.538 | S | S | . | . | trans | -78.3 | 114.8 | -176.9 | -168.3 | 0 | 0 | 0 | 0 | 108.6 | A119 L195 | A119-V121 PolarHBondContact O-N 3.29Å; A119-V121 VanDerWaalsContact O-N 3.09Å; V121-L195 HydrophobicContact CB-CD2 4.47Å; V121-L195 HydrophobicContact CG1-CD2 4.06Å; V121-L195 HydrophobicContact CG2-CD2 3.78Å | ||
| 122 | S | 61.9 | Low | 53.4 | Low | 12 Ų | 12 | 107.6 Ų | 107.6 | 8% | 0.084 | 53% | 0.53 | C | S | . | . | trans | -50.6 | 128.5 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | E120 V124 S125 L197 | E120-S122 PolarHBondContact O-N 3.09Å; S122-V124 PolarHBondContact O-N 2.77Å; S122-V124 PolarHBondContact OG-N 3.05Å; S122-S125 PolarHBondContact O-N 2.79Å; S122-S125 VanDerWaalsContact O-N 3.07Å; S122-S125 PolarHBondContact O-OG 3.33Å; S122-S125 VanDerWaalsContact O-OG 3.08Å; S122-L197 WeakPolarHBondContact CB-O 3.5Å | ||
| 123 | P | 59.1 | Low | 55.3 | Low | 72 Ų | 72 | 104.7 Ų | 104.7 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -23 | 176.8 | -28.5 | 35.8 | 0 | 0 | 0 | 113.7 | L138 | P123-L138 HydrophobicContact CB-CD2 4.02Š|
| 124 | V | 63.6 | Low | 57.3 | Low | 1 Ų | 1 | 99.1 Ų | 99.1 | 1% | 0.006 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -20.4 | -174.4 | -157.7 | 0 | 0 | 0 | 0 | 112.7 | S122 T130 L138 H143 W145 P200 | S122-V124 PolarHBondContact O-N 2.77Å; S122-V124 PolarHBondContact OG-N 3.05Å; V124-T130 HydrophobicContact CG1-CG2 3.75Å; V124-L138 HydrophobicContact CG2-CD1 4.27Å; V124-H143 WeakPolarHBondContact CG2-NE2 3.27Å; V124-W145 HydrophobicContact CG1-CB 4.45Å; V124-W145 HydrophobicContact CG1-CD2 3.89Å; V124-W145 HydrophobicContact CG1-CE3 4.03Å; V124-W145 HydrophobicContact CG1-CG 4.12Å; V124-W145 HydrophobicContact CG1-CZ3 4.41Å; V124-W145 HydrophobicContact CG2-CB 3.98Å; V124-W145 HydrophobicContact CG2-CD2 4.19Å; V124-W145 HydrophobicContact CG2-CE3 3.82Å; V124-W145 HydrophobicContact CG2-CG 4.33Å; V124-W145 HydrophobicContact CG2-CZ3 4.49Å; V124-P200 HydrophobicContact CG1-CB 4.09Å; V124-P200 HydrophobicContact CG1-CG 3.63Å; V124-P200 WeakPolarHBondContact O-CA 3.32Å |
| 125 | S | 66.4 | Low | 59.3 | Low | 3 Ų | 3 | 96.7 Ų | 96.7 | 2% | 0.021 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -6.6 | -179.2 | 61.9 | 0 | 0 | 0 | 0 | 114.3 | S122 | S122-S125 PolarHBondContact O-N 2.79Å; S122-S125 VanDerWaalsContact O-N 3.07Å; S122-S125 PolarHBondContact O-OG 3.33Å; S122-S125 VanDerWaalsContact O-OG 3.08Å |
| 126 | Q | 67.1 | Low | 61 | Low | 105 Ų | 105 | 90 Ų | 90 | 49% | 0.491 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -69.3 | -40.4 | 178.4 | -65 | -68.4 | 4.3 | 0 | 0 | 113.2 | ||
| 127 | A | 69.3 | Low | 62.8 | Low | 39 Ų | 39 | 85.7 Ų | 85.7 | 32% | 0.322 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -100.2 | 140.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F129 L201 | A127-F129 VanDerWaalsContact C-N 3.28Å; A127-F129 PolarHBondContact O-N 3.35Å; A127-L201 VanDerWaalsContact O-CB 3.29Å; A127-L201 WeakPolarHBondContact O-CB 3.24Å |
| 128 | W | 72.1 | Confident | 64.6 | Low | 91 Ų | 91 | 78.1 Ų | 78.1 | 35% | 0.345 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -62.2 | -37.4 | 171.9 | -84.2 | 92.9 | 0 | 0 | 0 | 112.2 | Y190 L201 F202 Y205 | W128-Y190 AromaticContact CH2-CD2 3.8Å; W128-Y190 HydrophobicContact CH2-CD2 3.8Å; W128-Y190 HydrophobicContact CH2-CE2 4.4Å; W128-Y190 HydrophobicContact CH2-CG 4.11Å; W128-Y190 HydrophobicContact CZ2-CD2 4.12Å; W128-L201 HydrophobicContact CD2-CD2 3.86Å; W128-L201 HydrophobicContact CD2-CG 4.33Å; W128-L201 HydrophobicContact CG-CD2 3.89Å; W128-L201 HydrophobicContact CZ2-CD2 4.42Å; W128-F202 WeakPolarHBondContact O-CB 3.5Å; W128-Y205 AromaticContact CH2-CD2 3.87Å; W128-Y205 HydrophobicContact CH2-CD2 3.87Å; W128-Y205 HydrophobicContact CH2-CE2 4.41Å; W128-Y205 HydrophobicContact CH2-CG 4.24Å; W128-Y205 HydrophobicContact CZ3-CD1 4.3Å; W128-Y205 AromaticContact CZ3-CD2 3.85Å; W128-Y205 HydrophobicContact CZ3-CD2 3.85Å; W128-Y205 HydrophobicContact CZ3-CE2 4.44Å; W128-Y205 AromaticContact CZ3-CG 3.77Å; W128-Y205 HydrophobicContact CZ3-CG 3.77Å |
| 129 | F | 70.2 | Confident | 66.3 | Low | 146 Ų | 146 | 71.8 Ų | 71.8 | 64% | 0.64 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -130.7 | 119 | 173.6 | -57.5 | -82.1 | 0 | 0 | 0 | 108.3 | A127 F202 | A127-F129 VanDerWaalsContact C-N 3.28Å; A127-F129 PolarHBondContact O-N 3.35Å; F129-F202 HydrophobicContact CD1-CD1 4.32Å; F129-F202 AromaticContact CE1-CD1 3.82Å; F129-F202 HydrophobicContact CE1-CD1 3.82Å; F129-F202 AromaticContact CE1-CE1 3.83Å; F129-F202 HydrophobicContact CE1-CE1 3.83Å; F129-F202 HydrophobicContact CE1-CG 4.2Å; F129-F202 HydrophobicContact CE1-CZ 4.25Å |
| 130 | T | 71.6 | Confident | 67.6 | Low | 39 Ų | 39 | 75.8 Ų | 75.8 | 24% | 0.239 | 40% | 0.395 | C | S | . | . | trans | -67.9 | 125.3 | 158.2 | 44.3 | 0 | 0 | 0 | 0 | 108.3 | V124 W145 | V124-T130 HydrophobicContact CG1-CG2 3.75Å; T130-W145 HydrophobicContact CG2-CH2 4.45Å | ||
| 131 | T | 72.8 | Confident | 68.7 | Low | 66 Ų | 66 | 75.4 Ų | 75.4 | 41% | 0.405 | 39% | 0.391 | S | S | . | . | trans | -67.1 | 173.8 | 170.5 | 65.3 | 0 | 0 | 0 | 0 | 110.7 | E133 D134 K135 | T131-E133 WeakPolarHBondContact CB-OE2 3.41Å; T131-E133 PolarHBondContact OG1-N 3.27Å; T131-D134 WeakPolarHBondContact CB-OD2 3.39Å; T131-D134 WeakPolarHBondContact CG2-OD2 3.4Å; T131-D134 PolarHBondContact N-OD2 3.27Å; T131-D134 PolarHBondContact OG1-N 3.02Å; T131-D134 PolarHBondContact OG1-OD2 3.02Å; T131-K135 WeakPolarHBondContact O-CB 3.41Å; T131-K135 PolarHBondContact O-N 2.91Å; T131-K135 VanDerWaalsContact O-N 3.15Å | ||
| 132 | K | 71.9 | Confident | 69.3 | Low | 134 Ų | 134 | 75.3 Ų | 75.3 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.8 | -33.9 | 172.8 | -174.7 | -157.7 | 167.2 | -128 | 0 | 109.6 | K135 D136 | K132-K135 WeakPolarHBondContact O-CB 3.47Å; K132-K135 PolarHBondContact O-N 3.39Å; K132-D136 VanDerWaalsContact CE-OD2 3.24Å; K132-D136 WeakPolarHBondContact CE-OD2 3.41Å; K132-D136 IonicContact NZ-OD2 2.7Å; K132-D136 PolarHBondContact NZ-OD2 3.39Å; K132-D136 WeakPolarHBondContact O-CB 3.25Å; K132-D136 PolarHBondContact O-N 2.96Å |
| 133 | E | 68.8 | Low | 69.8 | Low | 116 Ų | 116 | 77.3 Ų | 77.3 | 54% | 0.542 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.6 | -43.7 | -178.2 | -62.9 | 59.6 | -135.3 | 0 | 0 | 110.4 | T131 K135 T137 | T131-E133 WeakPolarHBondContact CB-OE2 3.41Å; T131-E133 PolarHBondContact OG1-N 3.27Å; E133-K135 VanDerWaalsContact C-N 3.33Å; E133-K135 PolarHBondContact O-N 3.35Å; E133-T137 VanDerWaalsContact O-CB 3.22Å; E133-T137 WeakPolarHBondContact O-CB 3.33Å; E133-T137 PolarHBondContact O-N 3.21Å; E133-T137 PolarHBondContact O-OG1 3.08Å |
| 134 | D | 69.9 | Low | 70.1 | Confident | 70 Ų | 70 | 82.2 Ų | 82.2 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 169.6 | -60.6 | -47.2 | 0 | 0 | 0 | 111.1 | T131 T137 L138 | T131-D134 WeakPolarHBondContact CB-OD2 3.39Å; T131-D134 WeakPolarHBondContact CG2-OD2 3.4Å; T131-D134 PolarHBondContact N-OD2 3.27Å; T131-D134 PolarHBondContact OG1-N 3.02Å; T131-D134 PolarHBondContact OG1-OD2 3.02Å; D134-T137 PolarHBondContact O-N 3.25Å; D134-L138 VanDerWaalsContact O-CB 3.3Å; D134-L138 WeakPolarHBondContact O-CB 3.31Å; D134-L138 VanDerWaalsContact O-CG 3.28Å; D134-L138 WeakPolarHBondContact O-CG 3.34Å; D134-L138 PolarHBondContact O-N 3.07Å |
| 135 | K | 70.3 | Confident | 70.6 | Confident | 102 Ų | 102 | 83.8 Ų | 83.8 | 44% | 0.443 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.5 | -49.5 | -179.3 | 173.5 | 179.9 | 173.7 | -163.3 | 0 | 111.6 | T131 K132 E133 T137 L138 A139 W145 | T131-K135 WeakPolarHBondContact O-CB 3.41Å; T131-K135 PolarHBondContact O-N 2.91Å; T131-K135 VanDerWaalsContact O-N 3.15Å; K132-K135 WeakPolarHBondContact O-CB 3.47Å; K132-K135 PolarHBondContact O-N 3.39Å; E133-K135 VanDerWaalsContact C-N 3.33Å; E133-K135 PolarHBondContact O-N 3.35Å; K135-T137 VanDerWaalsContact C-N 3.31Å; K135-L138 PolarHBondContact O-N 3.21Å; K135-A139 VanDerWaalsContact O-CB 3.3Å; K135-A139 WeakPolarHBondContact O-CB 3.46Å; K135-A139 PolarHBondContact O-N 3.18Å; K135-W145 HydrophobicContact CB-CH2 3.66Å; K135-W145 HydrophobicContact CB-CZ2 4.47Å; K135-W145 HydrophobicContact CB-CZ3 4.49Å; K135-W145 HydrophobicContact CD-CH2 4.29Å; K135-W145 HydrophobicContact CD-CZ2 4.4Å; K135-W145 HydrophobicContact CG-CH2 3.56Å; K135-W145 HydrophobicContact CG-CZ2 4.13Å; K135-W145 HydrophobicContact CG-CZ3 4.37Å |
| 136 | D | 69.9 | Low | 71 | Confident | 62 Ų | 62 | 87 Ų | 87 | 33% | 0.332 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.2 | -35.9 | -178.8 | -64.9 | -12.2 | 0 | 0 | 0 | 109.3 | K132 A139 N140 | K132-D136 VanDerWaalsContact CE-OD2 3.24Å; K132-D136 WeakPolarHBondContact CE-OD2 3.41Å; K132-D136 IonicContact NZ-OD2 2.7Å; K132-D136 PolarHBondContact NZ-OD2 3.39Å; K132-D136 WeakPolarHBondContact O-CB 3.25Å; K132-D136 PolarHBondContact O-N 2.96Å; D136-A139 PolarHBondContact O-N 3.28Å; D136-N140 WeakPolarHBondContact O-CB 3.22Å; D136-N140 PolarHBondContact O-N 3.4Å; D136-N140 PolarHBondContact O-ND2 3.45Å |
| 137 | T | 73.1 | Confident | 71.4 | Confident | 70 Ų | 70 | 88 Ų | 88 | 43% | 0.429 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 173 | -58.8 | 0 | 0 | 0 | 0 | 113 | E133 D134 K135 N140 K141 | E133-T137 VanDerWaalsContact O-CB 3.22Å; E133-T137 WeakPolarHBondContact O-CB 3.33Å; E133-T137 PolarHBondContact O-N 3.21Å; E133-T137 PolarHBondContact O-OG1 3.08Å; D134-T137 PolarHBondContact O-N 3.25Å; K135-T137 VanDerWaalsContact C-N 3.31Å; T137-N140 PolarHBondContact O-N 3.48Å; T137-K141 HydrophobicContact CG2-CD 4.48Å; T137-K141 WeakPolarHBondContact O-CG 3.43Å; T137-K141 PolarHBondContact O-N 3.41Å |
| 138 | L | 71.6 | Confident | 71.7 | Confident | 26 Ų | 26 | 89.1 Ų | 89.1 | 14% | 0.136 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 177.2 | -76.2 | 165.8 | 0 | 0 | 0 | 111.5 | P123 V124 D134 K135 K141 G142 H143 W145 | P123-L138 HydrophobicContact CB-CD2 4.02Å; V124-L138 HydrophobicContact CG2-CD1 4.27Å; D134-L138 VanDerWaalsContact O-CB 3.3Å; D134-L138 WeakPolarHBondContact O-CB 3.31Å; D134-L138 VanDerWaalsContact O-CG 3.28Å; D134-L138 WeakPolarHBondContact O-CG 3.34Å; D134-L138 PolarHBondContact O-N 3.07Å; K135-L138 PolarHBondContact O-N 3.21Å; L138-K141 CarbonylContact O-C 3.28Å; L138-K141 PolarHBondContact O-N 3.11Å; L138-G142 PolarHBondContact O-N 2.84Å; L138-H143 HydrophobicContact CB-CB 4.37Å; L138-H143 HydrophobicContact CD2-CB 4.3Å; L138-H143 WeakPolarHBondContact O-CB 3.41Å; L138-H143 PolarHBondContact O-N 3.16Å; L138-W145 HydrophobicContact CB-CZ3 4.01Å; L138-W145 HydrophobicContact CD1-CE3 4.39Å; L138-W145 HydrophobicContact CD1-CZ3 3.77Å |
| 139 | A | 73.1 | Confident | 72.1 | Confident | 60 Ų | 60 | 89.1 Ų | 89.1 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | K135 D136 K141 G142 | K135-A139 VanDerWaalsContact O-CB 3.3Å; K135-A139 WeakPolarHBondContact O-CB 3.46Å; K135-A139 PolarHBondContact O-N 3.18Å; D136-A139 PolarHBondContact O-N 3.28Å; A139-K141 VanDerWaalsContact C-N 3.3Å; A139-K141 PolarHBondContact O-N 3.1Å; A139-G142 WeakPolarHBondContact O-CA 3.45Å; A139-G142 PolarHBondContact O-N 2.89Å |
| 140 | N | 71.6 | Confident | 72.7 | Confident | 145 Ų | 145 | 83.8 Ų | 83.8 | 78% | 0.775 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.8 | -31.8 | 173.9 | -69.6 | -20.5 | 0 | 0 | 0 | 112.4 | D136 T137 G142 | D136-N140 WeakPolarHBondContact O-CB 3.22Å; D136-N140 PolarHBondContact O-N 3.4Å; D136-N140 PolarHBondContact O-ND2 3.45Å; T137-N140 PolarHBondContact O-N 3.48Å; N140-G142 PolarHBondContact O-N 2.85Å |
| 141 | K | 72.2 | Confident | 73.3 | Confident | 165 Ų | 165 | 82.7 Ų | 82.7 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 9 | 168.6 | -68.3 | 180 | 179.2 | -173.9 | 0 | 113.3 | T137 L138 A139 H143 | T137-K141 HydrophobicContact CG2-CD 4.48Å; T137-K141 WeakPolarHBondContact O-CG 3.43Å; T137-K141 PolarHBondContact O-N 3.41Å; L138-K141 CarbonylContact O-C 3.28Å; L138-K141 PolarHBondContact O-N 3.11Å; A139-K141 VanDerWaalsContact C-N 3.3Å; A139-K141 PolarHBondContact O-N 3.1Å; K141-H143 PolarHBondContact O-N 3.37Å |
| 142 | G | 69.1 | Low | 73.8 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 60% | 0.598 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 1.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L138 A139 N140 R144 | L138-G142 PolarHBondContact O-N 2.84Å; A139-G142 WeakPolarHBondContact O-CA 3.45Å; A139-G142 PolarHBondContact O-N 2.89Å; N140-G142 PolarHBondContact O-N 2.85Å; G142-R144 PolarHBondContact O-N 2.75Å |
| 143 | H | 71.4 | Confident | 74.3 | Confident | 53 Ų | 53 | 85.1 Ų | 85.1 | 25% | 0.245 | 44% | 0.44 | C | S | . | . | trans | -76.9 | 113 | -172.6 | -177.9 | 74.8 | 0 | 0 | 0 | 111.9 | V124 L138 K141 N198 | V124-H143 WeakPolarHBondContact CG2-NE2 3.27Å; L138-H143 HydrophobicContact CB-CB 4.37Å; L138-H143 HydrophobicContact CD2-CB 4.3Å; L138-H143 WeakPolarHBondContact O-CB 3.41Å; L138-H143 PolarHBondContact O-N 3.16Å; K141-H143 PolarHBondContact O-N 3.37Å; H143-N198 PolarHBondContact CE1-OD1 3.26Å; H143-N198 PolarHBondContact NE2-OD1 3.3Å | ||
| 144 | R | 66.5 | Low | 75.3 | Confident | 176 Ų | 176 | 80.1 Ų | 80.1 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -98.7 | 117.2 | 173.9 | -71.8 | 171.2 | 62.6 | 175.7 | -1.7 | 110.2 | G142 N198 D355 | G142-R144 PolarHBondContact O-N 2.75Å; R144-N198 PolarHBondContact O-ND2 3.31Å; R144-D355 IonicContact CZ-OD1 2.75Å; R144-D355 IonicContact NH2-OD1 3.06Å; R144-D355 PolarHBondContact NH2-OD1 3.3Å |
| 145 | W | 74.1 | Confident | 76.2 | Confident | 34 Ų | 34 | 78.5 Ų | 78.5 | 13% | 0.129 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 150.2 | 170.6 | 71.1 | 77.1 | 0 | 0 | 0 | 112.5 | V124 T130 K135 L138 Q147 N198 | V124-W145 HydrophobicContact CG1-CB 4.45Å; V124-W145 HydrophobicContact CG1-CD2 3.89Å; V124-W145 HydrophobicContact CG1-CE3 4.03Å; V124-W145 HydrophobicContact CG1-CG 4.12Å; V124-W145 HydrophobicContact CG1-CZ3 4.41Å; V124-W145 HydrophobicContact CG2-CB 3.98Å; V124-W145 HydrophobicContact CG2-CD2 4.19Å; V124-W145 HydrophobicContact CG2-CE3 3.82Å; V124-W145 HydrophobicContact CG2-CG 4.33Å; V124-W145 HydrophobicContact CG2-CZ3 4.49Å; T130-W145 HydrophobicContact CG2-CH2 4.45Å; K135-W145 HydrophobicContact CB-CH2 3.66Å; K135-W145 HydrophobicContact CB-CZ2 4.47Å; K135-W145 HydrophobicContact CB-CZ3 4.49Å; K135-W145 HydrophobicContact CD-CH2 4.29Å; K135-W145 HydrophobicContact CD-CZ2 4.4Å; K135-W145 HydrophobicContact CG-CH2 3.56Å; K135-W145 HydrophobicContact CG-CZ2 4.13Å; K135-W145 HydrophobicContact CG-CZ3 4.37Å; L138-W145 HydrophobicContact CB-CZ3 4.01Å; L138-W145 HydrophobicContact CD1-CE3 4.39Å; L138-W145 HydrophobicContact CD1-CZ3 3.77Å; W145-Q147 VanDerWaalsContact NE1-NE2 3.11Å; W145-N198 WeakPolarHBondContact CA-OD1 3.32Å; W145-N198 WeakPolarHBondContact CB-OD1 3.34Å |
| 146 | K | 74.4 | Confident | 77 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 30% | 0.304 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -73 | 137.8 | -176.1 | -70.9 | -164.4 | 171.6 | -166.3 | 0 | 111.5 | E154 N198 R199 D352 | K146-E154 VanDerWaalsContact CD-OE1 3.31Å; K146-E154 WeakPolarHBondContact CD-OE1 3.47Å; K146-N198 PolarHBondContact N-O 3.06Å; K146-R199 HydrophobicContact CB-CG 4.27Å; K146-D352 IonicContact NZ-OD2 2.71Å; K146-D352 PolarHBondContact NZ-OD2 3.09Å |
| 147 | Q | 74.9 | Confident | 78 | Confident | 127 Ų | 127 | 76.4 Ų | 76.4 | 59% | 0.593 | 40% | 0.4 | S | S | * | . | trans | -135.6 | 159.7 | 179.9 | -62.5 | -172.4 | 37.9 | 0 | 0 | 110.5 | W145 | W145-Q147 VanDerWaalsContact NE1-NE2 3.11Š| ||
| 148 | G | 76.8 | Confident | 78.9 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 81.4 | -134.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R199 | G148-R199 PolarHBondContact O-NH1 3.48Å; G148-R199 VanDerWaalsContact O-NH1 3.08Å |
| 149 | M | 80.1 | Confident | 79.8 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 44% | 0.443 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -61.8 | 146.9 | -174.9 | -153.3 | -179.6 | -50.7 | 0 | 0 | 110.7 | R199 N354 W379 | M149-R199 PolarHBondContact O-NH1 3.46Å; M149-R199 PolarHBondContact O-NH2 3.32Å; M149-N354 VanDerWaalsContact CB-OD1 3.25Å; M149-N354 WeakPolarHBondContact CB-OD1 3.21Å; M149-W379 HydrophobicContact CE-CZ2 4.14Å; M149-W379 HydrophobicContact SD-CZ2 4.49Å |
| 150 | W | 83.8 | Confident | 80.7 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 13% | 0.133 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -86 | 132.8 | 171 | -74.9 | 64.1 | 0 | 0 | 0 | 108.7 | E154 I155 L158 L197 V204 R207 | W150-E154 WeakPolarHBondContact CA-OE2 3.36Å; W150-E154 HydrophobicContact CE3-CB 3.75Å; W150-E154 HydrophobicContact CZ3-CB 4.22Å; W150-I155 HydrophobicContact CB-CD1 4.09Å; W150-I155 HydrophobicContact CB-CG1 4Å; W150-I155 HydrophobicContact CE3-CG1 4.43Å; W150-L158 HydrophobicContact CH2-CD1 4.45Å; W150-L158 HydrophobicContact CZ3-CD1 4.39Å; W150-L158 HydrophobicContact CZ3-CD2 4.2Å; W150-L197 HydrophobicContact CH2-CD1 4.11Å; W150-L197 HydrophobicContact CZ3-CD1 3.94Å; W150-L197 HydrophobicContact CZ3-CD2 4.48Å; W150-V204 HydrophobicContact CH2-CG2 4.21Å; W150-R207 HydrophobicContact CD2-CB 4.28Å; W150-R207 HydrophobicContact CD2-CG 3.77Å; W150-R207 HydrophobicContact CE3-CG 3.96Å; W150-R207 HydrophobicContact CG-CG 4.42Å; W150-R207 HydrophobicContact CH2-CB 3.85Å; W150-R207 HydrophobicContact CH2-CG 3.95Å; W150-R207 HydrophobicContact CZ2-CB 3.37Å; W150-R207 HydrophobicContact CZ2-CG 3.75Å; W150-R207 HydrophobicContact CZ3-CB 4.46Å; W150-R207 HydrophobicContact CZ3-CG 4.05Å |
| 151 | S | 83.1 | Confident | 81.7 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 168.3 | 171.6 | 91.6 | 0 | 0 | 0 | 0 | 110.4 | E153 E154 I155 | S151-E153 VanDerWaalsContact C-N 3.32Å; S151-E153 WeakPolarHBondContact CB-OE2 3.41Å; S151-E153 PolarHBondContact OG-N 3.4Å; S151-E153 PolarHBondContact OG-OE2 3.2Å; S151-E154 PolarHBondContact N-OE2 3.46Å; S151-E154 PolarHBondContact OG-N 3.42Å; S151-I155 WeakPolarHBondContact O-CD1 3.38Å; S151-I155 VanDerWaalsContact O-CG1 3.28Å; S151-I155 WeakPolarHBondContact O-CG1 3.49Å; S151-I155 PolarHBondContact O-N 2.96Å |
| 152 | K | 82.4 | Confident | 82.6 | Confident | 137 Ų | 137 | 61.9 Ų | 61.9 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.9 | -43.1 | 178.3 | -170.4 | -162.9 | 170.4 | -161.6 | 0 | 110.1 | E154 I155 D156 | K152-E154 VanDerWaalsContact C-N 3.33Å; K152-E154 PolarHBondContact O-N 3.49Å; K152-I155 CarbonylContact O-C 3.56Å; K152-I155 WeakPolarHBondContact O-CA 3.34Å; K152-I155 WeakPolarHBondContact O-CB 3.22Å; K152-I155 PolarHBondContact O-N 2.88Å; K152-D156 VanDerWaalsContact CE-OD2 3.22Å; K152-D156 WeakPolarHBondContact CE-OD2 3.31Å; K152-D156 IonicContact NZ-OD2 3.5Å; K152-D156 VanDerWaalsContact O-CG 3.29Å; K152-D156 PolarHBondContact O-N 3.06Å |
| 153 | E | 83.8 | Confident | 83.6 | Confident | 113 Ų | 113 | 61.8 Ų | 61.8 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | -178.4 | -51.5 | 69.1 | -147.3 | 0 | 0 | 110.9 | S151 I155 D156 I157 | S151-E153 VanDerWaalsContact C-N 3.32Å; S151-E153 WeakPolarHBondContact CB-OE2 3.41Å; S151-E153 PolarHBondContact OG-N 3.4Å; S151-E153 PolarHBondContact OG-OE2 3.2Å; E153-I155 VanDerWaalsContact C-N 3.29Å; E153-I155 PolarHBondContact O-N 2.9Å; E153-D156 PolarHBondContact O-N 3.46Å; E153-I157 WeakPolarHBondContact O-CB 3.43Å; E153-I157 WeakPolarHBondContact O-CD1 3.17Å; E153-I157 VanDerWaalsContact O-CG1 3.22Å; E153-I157 WeakPolarHBondContact O-CG1 2.84Å; E153-I157 PolarHBondContact O-N 3.02Å |
| 154 | E | 88.5 | Confident | 84.4 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.1 | -27.2 | 173.9 | -66.5 | 175.8 | 121.8 | 0 | 0 | 113.4 | K146 W150 S151 K152 L158 L197 R199 | K146-E154 VanDerWaalsContact CD-OE1 3.31Å; K146-E154 WeakPolarHBondContact CD-OE1 3.47Å; W150-E154 WeakPolarHBondContact CA-OE2 3.36Å; W150-E154 HydrophobicContact CE3-CB 3.75Å; W150-E154 HydrophobicContact CZ3-CB 4.22Å; S151-E154 PolarHBondContact N-OE2 3.46Å; S151-E154 PolarHBondContact OG-N 3.42Å; K152-E154 VanDerWaalsContact C-N 3.33Å; K152-E154 PolarHBondContact O-N 3.49Å; E154-L158 VanDerWaalsContact O-CB 3.31Å; E154-L158 WeakPolarHBondContact O-CB 3.46Å; E154-L158 PolarHBondContact O-N 3Å; E154-L197 HydrophobicContact CB-CD2 4.09Å; E154-L197 HydrophobicContact CG-CD2 4.37Å; E154-R199 VanDerWaalsContact CD-NH2 3.27Å; E154-R199 IonicContact OE1-CZ 3.45Å; E154-R199 VanDerWaalsContact OE1-CZ 3.31Å; E154-R199 IonicContact OE1-NE 2.73Å; E154-R199 PolarHBondContact OE1-NE 3.27Å; E154-R199 IonicContact OE1-NH2 3.27Å; E154-R199 PolarHBondContact OE1-NH2 3.41Å; E154-R199 IonicContact OE2-CZ 3.9Å; E154-R199 IonicContact OE2-NE 2.66Å; E154-R199 PolarHBondContact OE2-NE 3.07Å; E154-R199 IonicContact OE2-NH2 3.79Å; E154-R199 PolarHBondContact OE2-NH2 3.2Å |
| 155 | I | 88.8 | Confident | 85.5 | Confident | 36 Ų | 36 | 56 Ų | 56 | 19% | 0.185 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -79.5 | -41.5 | 175.6 | -63.6 | 161.5 | 0 | 0 | 0 | 109.8 | W150 S151 K152 E153 L158 I159 R207 M211 | W150-I155 HydrophobicContact CB-CD1 4.09Å; W150-I155 HydrophobicContact CB-CG1 4Å; W150-I155 HydrophobicContact CE3-CG1 4.43Å; S151-I155 WeakPolarHBondContact O-CD1 3.38Å; S151-I155 VanDerWaalsContact O-CG1 3.28Å; S151-I155 WeakPolarHBondContact O-CG1 3.49Å; S151-I155 PolarHBondContact O-N 2.96Å; K152-I155 CarbonylContact O-C 3.56Å; K152-I155 WeakPolarHBondContact O-CA 3.34Å; K152-I155 WeakPolarHBondContact O-CB 3.22Å; K152-I155 PolarHBondContact O-N 2.88Å; E153-I155 VanDerWaalsContact C-N 3.29Å; E153-I155 PolarHBondContact O-N 2.9Å; I155-L158 WeakPolarHBondContact O-CB 3.43Å; I155-L158 PolarHBondContact O-N 3.45Å; I155-I159 HydrophobicContact CG2-CD1 3.9Å; I155-I159 WeakPolarHBondContact O-CG1 3.36Å; I155-I159 PolarHBondContact O-N 2.92Å; I155-R207 VanDerWaalsContact CD1-NH2 3.28Å; I155-M211 HydrophobicContact CG2-CE 4.24Å |
| 156 | D | 88.4 | Confident | 86.2 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 32% | 0.316 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 178.4 | -63.9 | -13 | 0 | 0 | 0 | 110.3 | K152 E153 L158 I159 N160 | K152-D156 VanDerWaalsContact CE-OD2 3.22Å; K152-D156 WeakPolarHBondContact CE-OD2 3.31Å; K152-D156 IonicContact NZ-OD2 3.5Å; K152-D156 VanDerWaalsContact O-CG 3.29Å; K152-D156 PolarHBondContact O-N 3.06Å; E153-D156 PolarHBondContact O-N 3.46Å; D156-L158 PolarHBondContact O-N 2.95Å; D156-I159 PolarHBondContact O-N 2.99Å; D156-N160 WeakPolarHBondContact O-CB 3.22Å; D156-N160 PolarHBondContact O-N 3.16Å; D156-N160 PolarHBondContact O-ND2 3.18Å |
| 157 | I | 90.3 | Very high | 86.9 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 170.3 | -70.3 | 163.8 | 0 | 0 | 0 | 111 | E153 I159 N160 N161 L197 | E153-I157 WeakPolarHBondContact O-CB 3.43Å; E153-I157 WeakPolarHBondContact O-CD1 3.17Å; E153-I157 VanDerWaalsContact O-CG1 3.22Å; E153-I157 WeakPolarHBondContact O-CG1 2.84Å; E153-I157 PolarHBondContact O-N 3.02Å; I157-I159 PolarHBondContact O-N 3.23Å; I157-N160 PolarHBondContact O-N 3.09Å; I157-N161 WeakPolarHBondContact O-CB 3.49Å; I157-N161 PolarHBondContact O-N 2.94Å; I157-N161 PolarHBondContact O-ND2 3.47Å; I157-L197 HydrophobicContact CB-CD2 3.97Å; I157-L197 HydrophobicContact CD1-CD2 4.47Å; I157-L197 HydrophobicContact CG2-CD2 3.65Å; I157-L197 HydrophobicContact CG2-CG 3.92Å |
| 158 | L | 92.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -44.4 | -179.1 | -171.5 | 77.9 | 0 | 0 | 0 | 112 | W150 E154 I155 D156 I162 V193 L197 V204 R207 V208 M211 | W150-L158 HydrophobicContact CH2-CD1 4.45Å; W150-L158 HydrophobicContact CZ3-CD1 4.39Å; W150-L158 HydrophobicContact CZ3-CD2 4.2Å; E154-L158 VanDerWaalsContact O-CB 3.31Å; E154-L158 WeakPolarHBondContact O-CB 3.46Å; E154-L158 PolarHBondContact O-N 3Å; I155-L158 WeakPolarHBondContact O-CB 3.43Å; I155-L158 PolarHBondContact O-N 3.45Å; D156-L158 PolarHBondContact O-N 2.95Å; L158-I162 HydrophobicContact CG-CD1 4.38Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.47Å; L158-I162 PolarHBondContact O-N 3.31Å; L158-I162 VanDerWaalsContact O-N 3.16Å; L158-V193 HydrophobicContact CD1-CG1 3.36Å; L158-V193 HydrophobicContact CG-CG1 4.17Å; L158-L197 HydrophobicContact CB-CD1 4.31Å; L158-L197 HydrophobicContact CD1-CD1 3.6Å; L158-V204 HydrophobicContact CD1-CG1 3.61Å; L158-R207 HydrophobicContact CD2-CB 4.33Å; L158-R207 HydrophobicContact CD2-CG 3.55Å; L158-V208 HydrophobicContact CD1-CG2 3.91Å; L158-V208 HydrophobicContact CD2-CG2 4.04Å; L158-V208 HydrophobicContact CG-CG2 4.22Å; L158-M211 HydrophobicContact CD2-CE 4.21Å; L158-M211 HydrophobicContact CD2-SD 3.63Å |
| 159 | I | 90.5 | Very high | 87.9 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.7 | -52.2 | 177.2 | -66.9 | 164.9 | 0 | 0 | 0 | 110 | I155 D156 I157 N161 I162 D163 M211 | I155-I159 HydrophobicContact CG2-CD1 3.9Å; I155-I159 WeakPolarHBondContact O-CG1 3.36Å; I155-I159 PolarHBondContact O-N 2.92Å; D156-I159 PolarHBondContact O-N 2.99Å; I157-I159 PolarHBondContact O-N 3.23Å; I159-N161 PolarHBondContact O-N 2.88Å; I159-I162 WeakPolarHBondContact O-CB 3.42Å; I159-I162 PolarHBondContact O-N 2.7Å; I159-D163 PolarHBondContact O-N 3.34Å; I159-M211 HydrophobicContact CD1-CE 4.14Å; I159-M211 HydrophobicContact CG1-CE 3.78Å |
| 160 | N | 92.1 | Very high | 88 | Confident | 93 Ų | 93 | 63 Ų | 63 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57 | -35.5 | 179.5 | -77.8 | -61.1 | 0 | 0 | 0 | 112.9 | D156 I157 R164 | D156-N160 WeakPolarHBondContact O-CB 3.22Å; D156-N160 PolarHBondContact O-N 3.16Å; D156-N160 PolarHBondContact O-ND2 3.18Å; I157-N160 PolarHBondContact O-N 3.09Å; N160-R164 WeakPolarHBondContact O-CB 3.23Å; N160-R164 PolarHBondContact O-N 2.88Å |
| 161 | N | 92.5 | Very high | 88.2 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.4 | -34.5 | 176.1 | -68.2 | -18.2 | 0 | 0 | 0 | 113.1 | I157 I159 R164 Y165 V193 L195 | I157-N161 WeakPolarHBondContact O-CB 3.49Å; I157-N161 PolarHBondContact O-N 2.94Å; I157-N161 PolarHBondContact O-ND2 3.47Å; I159-N161 PolarHBondContact O-N 2.88Å; N161-R164 PolarHBondContact OD1-NH1 2.95Å; N161-Y165 WeakPolarHBondContact O-CB 3.42Å; N161-Y165 PolarHBondContact O-N 3.38Å; N161-V193 PolarHBondContact ND2-O 3.21Å; N161-L195 PolarHBondContact ND2-O 3.27Å |
| 162 | I | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.5 | -48.9 | 173.7 | -70 | 167.8 | 0 | 0 | 0 | 109.8 | L158 I159 R164 Y165 M166 P174 F189 V193 V208 Y212 | L158-I162 HydrophobicContact CG-CD1 4.38Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.47Å; L158-I162 PolarHBondContact O-N 3.31Å; L158-I162 VanDerWaalsContact O-N 3.16Å; I159-I162 WeakPolarHBondContact O-CB 3.42Å; I159-I162 PolarHBondContact O-N 2.7Å; I162-R164 VanDerWaalsContact C-N 3.3Å; I162-R164 PolarHBondContact O-N 2.95Å; I162-Y165 WeakPolarHBondContact O-CA 3.33Å; I162-Y165 WeakPolarHBondContact O-CB 3.37Å; I162-Y165 PolarHBondContact O-N 3.25Å; I162-M166 HydrophobicContact CG2-CG 4.41Å; I162-M166 HydrophobicContact CG2-SD 3.84Å; I162-M166 WeakPolarHBondContact O-CG 3.44Å; I162-M166 PolarHBondContact O-N 3.43Å; I162-P174 HydrophobicContact CG2-CB 4.13Å; I162-P174 HydrophobicContact CG2-CG 4.35Å; I162-F189 HydrophobicContact CG1-CE2 4.23Å; I162-F189 HydrophobicContact CG1-CZ 4.19Å; I162-V193 HydrophobicContact CD1-CG1 4.19Å; I162-V193 HydrophobicContact CG1-CB 4.37Å; I162-V193 HydrophobicContact CG1-CG1 3.79Å; I162-V193 HydrophobicContact CG1-CG2 3.57Å; I162-V208 HydrophobicContact CD1-CG1 4.34Å; I162-V208 HydrophobicContact CD1-CG2 4.19Å; I162-Y212 HydrophobicContact CD1-CE2 3.71Å |
| 163 | D | 89.8 | Confident | 88.1 | Confident | 56 Ų | 56 | 67.9 Ų | 67.9 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 178.2 | -67.3 | -3.4 | 0 | 0 | 0 | 111.8 | I159 K167 | I159-D163 PolarHBondContact O-N 3.34Å; D163-K167 WeakPolarHBondContact O-CB 3.49Å; D163-K167 WeakPolarHBondContact O-CD 3.3Å; D163-K167 VanDerWaalsContact O-CG 3.25Å; D163-K167 WeakPolarHBondContact O-CG 3.28Å; D163-K167 PolarHBondContact O-N 3.28Å |
| 164 | R | 89.6 | Confident | 88.1 | Confident | 104 Ų | 104 | 63.5 Ų | 63.5 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 174.2 | -165.3 | -170.1 | -59.6 | 101.2 | -0.3 | 111.8 | N160 N161 I162 R168 | N160-R164 WeakPolarHBondContact O-CB 3.23Å; N160-R164 PolarHBondContact O-N 2.88Å; N161-R164 PolarHBondContact OD1-NH1 2.95Å; I162-R164 VanDerWaalsContact C-N 3.3Å; I162-R164 PolarHBondContact O-N 2.95Å; R164-R168 WeakPolarHBondContact O-CG 3.08Å; R164-R168 PolarHBondContact O-N 3.31Å |
| 165 | Y | 88.4 | Confident | 87.8 | Confident | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -46 | 177.3 | -174.2 | -86.4 | 0 | 0 | 0 | 111.9 | N161 I162 R168 R169 I177 D188 F189 | N161-Y165 WeakPolarHBondContact O-CB 3.42Å; N161-Y165 PolarHBondContact O-N 3.38Å; I162-Y165 WeakPolarHBondContact O-CA 3.33Å; I162-Y165 WeakPolarHBondContact O-CB 3.37Å; I162-Y165 PolarHBondContact O-N 3.25Å; Y165-R168 PolarHBondContact O-N 3.42Å; Y165-R169 VanDerWaalsContact CZ-NE 3.3Å; Y165-R169 PolarHBondContact O-N 2.91Å; Y165-R169 PolarHBondContact OH-NE 2.9Å; Y165-R169 VanDerWaalsContact OH-NE 3.09Å; Y165-R169 PolarHBondContact OH-NH2 3.06Å; Y165-I177 HydrophobicContact CD1-CD1 3.96Å; Y165-I177 HydrophobicContact CE1-CD1 4.1Å; Y165-I177 HydrophobicContact CE1-CG2 4.18Å; Y165-D188 WeakPolarHBondContact CE2-OD2 3.35Å; Y165-D188 PolarHBondContact OH-OD2 2.56Å; Y165-F189 AromaticContact CD1-CD2 3.5Å; Y165-F189 HydrophobicContact CD1-CD2 3.5Å; Y165-F189 HydrophobicContact CD1-CE2 4.05Å; Y165-F189 HydrophobicContact CD2-CD2 4.18Å; Y165-F189 HydrophobicContact CE1-CB 4.09Å; Y165-F189 AromaticContact CE1-CD2 3.59Å; Y165-F189 HydrophobicContact CE1-CD2 3.59Å; Y165-F189 HydrophobicContact CE1-CE2 4.45Å; Y165-F189 HydrophobicContact CE1-CG 4.23Å; Y165-F189 HydrophobicContact CE2-CB 4.08Å; Y165-F189 HydrophobicContact CE2-CD2 4.27Å; Y165-F189 AromaticContact CG-CD2 3.8Å; Y165-F189 HydrophobicContact CG-CD2 3.8Å; Y165-F189 HydrophobicContact CG-CE2 4.39Å; Y165-F189 AromaticContact CZ-CD2 3.97Å |
| 166 | M | 89.1 | Confident | 87.6 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.6 | -51.5 | 176.1 | -74.3 | 169.8 | 67.7 | 0 | 0 | 112 | I162 R168 R169 G170 I171 Q172 P174 I177 | I162-M166 HydrophobicContact CG2-CG 4.41Å; I162-M166 HydrophobicContact CG2-SD 3.84Å; I162-M166 WeakPolarHBondContact O-CG 3.44Å; I162-M166 PolarHBondContact O-N 3.43Å; M166-R168 VanDerWaalsContact C-N 3.28Å; M166-R168 PolarHBondContact O-N 2.94Å; M166-R169 CarbonylContact O-C 3.56Å; M166-R169 PolarHBondContact O-N 2.66Å; M166-G170 PolarHBondContact O-N 3.07Å; M166-I171 WeakPolarHBondContact CE-O 3.29Å; M166-I171 PolarHBondContact O-N 2.81Å; M166-Q172 WeakPolarHBondContact CE-O 3.32Å; M166-P174 HydrophobicContact CE-CG 4.01Å; M166-P174 HydrophobicContact SD-CB 4.19Å; M166-P174 HydrophobicContact SD-CG 3.6Å; M166-P174 VanDerWaalsContact SD-CG 3.6Å; M166-I177 HydrophobicContact CG-CD1 3.75Å |
| 167 | K | 89.4 | Confident | 87.2 | Confident | 170 Ų | 170 | 63.3 Ų | 63.3 | 74% | 0.739 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.3 | -39.4 | 179 | -75 | 167.8 | -178 | 170.3 | 0 | 112.7 | D163 R169 | D163-K167 WeakPolarHBondContact O-CB 3.49Å; D163-K167 WeakPolarHBondContact O-CD 3.3Å; D163-K167 VanDerWaalsContact O-CG 3.25Å; D163-K167 WeakPolarHBondContact O-CG 3.28Å; D163-K167 PolarHBondContact O-N 3.28Å; K167-R169 VanDerWaalsContact C-N 3.28Å; K167-R169 PolarHBondContact O-N 2.91Å |
| 168 | R | 87.5 | Confident | 86.9 | Confident | 157 Ų | 157 | 60.5 Ų | 60.5 | 59% | 0.592 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -72.5 | -13.9 | 177 | -69.5 | -170.6 | -53.6 | 179.3 | 9.4 | 114.6 | R164 Y165 M166 | R164-R168 WeakPolarHBondContact O-CG 3.08Å; R164-R168 PolarHBondContact O-N 3.31Å; Y165-R168 PolarHBondContact O-N 3.42Å; M166-R168 VanDerWaalsContact C-N 3.28Å; M166-R168 PolarHBondContact O-N 2.94Å |
| 169 | R | 84.4 | Confident | 86.4 | Confident | 119 Ų | 119 | 65 Ų | 65 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -116.5 | -0.3 | 178.2 | -68.6 | -170.7 | 179.4 | -118.5 | 14.8 | 114.3 | Y165 M166 K167 I171 D188 | Y165-R169 VanDerWaalsContact CZ-NE 3.3Å; Y165-R169 PolarHBondContact O-N 2.91Å; Y165-R169 PolarHBondContact OH-NE 2.9Å; Y165-R169 VanDerWaalsContact OH-NE 3.09Å; Y165-R169 PolarHBondContact OH-NH2 3.06Å; M166-R169 CarbonylContact O-C 3.56Å; M166-R169 PolarHBondContact O-N 2.66Å; K167-R169 VanDerWaalsContact C-N 3.28Å; K167-R169 PolarHBondContact O-N 2.91Å; R169-I171 VanDerWaalsContact C-N 3.26Å; R169-I171 HydrophobicContact CB-CD1 3.95Å; R169-I171 HydrophobicContact CB-CG1 4.04Å; R169-I171 PolarHBondContact O-N 2.92Å; R169-D188 IonicContact CZ-OD2 2.66Å; R169-D188 VanDerWaalsContact NH2-CG 3.26Å; R169-D188 IonicContact NH2-OD1 3.94Å; R169-D188 PolarHBondContact NH2-OD1 3.32Å; R169-D188 IonicContact NH2-OD2 3.05Å; R169-D188 PolarHBondContact NH2-OD2 2.87Å |
| 170 | G | 84.1 | Confident | 86 | Confident | 64 Ų | 64 | 70.1 Ų | 70.1 | 66% | 0.66 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 12.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | M166 | M166-G170 PolarHBondContact O-N 3.07Š|
| 171 | I | 86.6 | Confident | 85.5 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | trans | -84.5 | 136 | -175.3 | -58.2 | 174.6 | 0 | 0 | 0 | 109.7 | M166 R169 E176 I177 M181 | M166-I171 WeakPolarHBondContact CE-O 3.29Å; M166-I171 PolarHBondContact O-N 2.81Å; R169-I171 VanDerWaalsContact C-N 3.26Å; R169-I171 HydrophobicContact CB-CD1 3.95Å; R169-I171 HydrophobicContact CB-CG1 4.04Å; R169-I171 PolarHBondContact O-N 2.92Å; I171-E176 HydrophobicContact CG2-CB 4.38Å; I171-E176 WeakPolarHBondContact CG2-OE2 3.23Å; I171-I177 HydrophobicContact CB-CD1 4.23Å; I171-I177 HydrophobicContact CD1-CD1 3.85Å; I171-I177 HydrophobicContact CD1-CG1 3.84Å; I171-I177 HydrophobicContact CG2-CD1 3.97Å; I171-I177 HydrophobicContact CG2-CG1 3.85Å; I171-M181 HydrophobicContact CD1-CE 4.32Å; I171-M181 HydrophobicContact CD1-SD 4.18Å | ||
| 172 | Q | 81.3 | Confident | 84.9 | Confident | 184 Ų | 184 | 69 Ų | 69 | 86% | 0.86 | 34% | 0.336 | S | S | * | . | trans | -98.5 | -25 | -174.8 | -64.3 | -166.4 | 41.2 | 0 | 0 | 114.7 | M166 | M166-Q172 WeakPolarHBondContact CE-O 3.32Š| ||
| 173 | D | 82.9 | Confident | 84.2 | Confident | 82 Ų | 82 | 76.5 Ų | 76.5 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | trans | -115.5 | 125.7 | 178.9 | -169.2 | -14.1 | 0 | 0 | 0 | 111.2 | A175 E176 | D173-A175 PolarHBondContact O-N 3.1Å; D173-A175 VanDerWaalsContact OD1-CB 3.23Å; D173-A175 WeakPolarHBondContact OD1-CB 3.31Å; D173-A175 PolarHBondContact OD1-N 3.31Å; D173-E176 HydrophobicContact CB-CB 4.44Å; D173-E176 WeakPolarHBondContact O-CB 3.27Å; D173-E176 PolarHBondContact O-N 2.99Å | ||
| 174 | P | 83 | Confident | 83.4 | Confident | 21 Ų | 21 | 80 Ų | 80 | 14% | 0.136 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.2 | -32.2 | 169.3 | -19.9 | 29.4 | 0 | 0 | 0 | 113.4 | I162 M166 E176 I177 I178 Y212 | I162-P174 HydrophobicContact CG2-CB 4.13Å; I162-P174 HydrophobicContact CG2-CG 4.35Å; M166-P174 HydrophobicContact CE-CG 4.01Å; M166-P174 HydrophobicContact SD-CB 4.19Å; M166-P174 HydrophobicContact SD-CG 3.6Å; M166-P174 VanDerWaalsContact SD-CG 3.6Å; P174-E176 VanDerWaalsContact C-N 3.35Å; P174-E176 PolarHBondContact O-N 2.81Å; P174-I177 PolarHBondContact O-N 3.14Å; P174-I178 HydrophobicContact CB-CD1 4.11Å; P174-I178 VanDerWaalsContact O-CD1 3.24Å; P174-I178 WeakPolarHBondContact O-CD1 3.2Å; P174-I178 WeakPolarHBondContact O-CG1 3.38Å; P174-I178 PolarHBondContact O-N 3.21Å; P174-Y212 HydrophobicContact CB-CD1 3.69Å; P174-Y212 HydrophobicContact CB-CE1 3.54Å; P174-Y212 HydrophobicContact CB-CE2 4.41Å; P174-Y212 HydrophobicContact CB-CG 4.19Å; P174-Y212 HydrophobicContact CG-CD1 4.03Å; P174-Y212 HydrophobicContact CG-CE1 3.53Å |
| 175 | A | 83.3 | Confident | 82.8 | Confident | 24 Ų | 24 | 79.7 Ų | 79.7 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.8 | -36.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D173 I177 I178 F179 | D173-A175 PolarHBondContact O-N 3.1Å; D173-A175 VanDerWaalsContact OD1-CB 3.23Å; D173-A175 WeakPolarHBondContact OD1-CB 3.31Å; D173-A175 PolarHBondContact OD1-N 3.31Å; A175-I177 VanDerWaalsContact C-N 3.31Å; A175-I177 PolarHBondContact O-N 3.04Å; A175-I178 PolarHBondContact O-N 2.71Å; A175-I178 VanDerWaalsContact O-N 3.08Å; A175-F179 HydrophobicContact CB-CD2 4.02Å; A175-F179 HydrophobicContact CB-CE2 4.39Å; A175-F179 WeakPolarHBondContact O-CD2 3.47Å; A175-F179 PolarHBondContact O-N 3.25Å |
| 176 | E | 83.2 | Confident | 82.5 | Confident | 79 Ų | 79 | 81.4 Ų | 81.4 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | I | π-helix | trans | -51.5 | -50 | 173.1 | -169.3 | -175.1 | 152.3 | 0 | 0 | 110.6 | I171 D173 P174 I178 E180 M181 | I171-E176 HydrophobicContact CG2-CB 4.38Å; I171-E176 WeakPolarHBondContact CG2-OE2 3.23Å; D173-E176 HydrophobicContact CB-CB 4.44Å; D173-E176 WeakPolarHBondContact O-CB 3.27Å; D173-E176 PolarHBondContact O-N 2.99Å; P174-E176 VanDerWaalsContact C-N 3.35Å; P174-E176 PolarHBondContact O-N 2.81Å; E176-I178 VanDerWaalsContact C-N 3.34Å; E176-I178 PolarHBondContact O-N 3.19Å; E176-E180 WeakPolarHBondContact O-CA 3.25Å; E176-E180 WeakPolarHBondContact O-CB 3.44Å; E176-E180 PolarHBondContact O-N 3.31Å; E176-M181 PolarHBondContact O-N 2.7Å |
| 177 | I | 81.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 87.1 Ų | 87.1 | 0% | 0 | 42% | 0.417 | C | S | . | . | I | π-helix | trans | -67.1 | -33.5 | 179.4 | -46 | -179.4 | 0 | 0 | 0 | 112.3 | Y165 M166 I171 P174 A175 M181 F189 | Y165-I177 HydrophobicContact CD1-CD1 3.96Å; Y165-I177 HydrophobicContact CE1-CD1 4.1Å; Y165-I177 HydrophobicContact CE1-CG2 4.18Å; M166-I177 HydrophobicContact CG-CD1 3.75Å; I171-I177 HydrophobicContact CB-CD1 4.23Å; I171-I177 HydrophobicContact CD1-CD1 3.85Å; I171-I177 HydrophobicContact CD1-CG1 3.84Å; I171-I177 HydrophobicContact CG2-CD1 3.97Å; I171-I177 HydrophobicContact CG2-CG1 3.85Å; P174-I177 PolarHBondContact O-N 3.14Å; A175-I177 VanDerWaalsContact C-N 3.31Å; A175-I177 PolarHBondContact O-N 3.04Å; I177-M181 HydrophobicContact CB-SD 4.24Å; I177-M181 HydrophobicContact CG1-SD 4.23Å; I177-M181 HydrophobicContact CG2-SD 4.03Å; I177-F189 HydrophobicContact CD1-CE2 4.42Å; I177-F189 HydrophobicContact CG2-CB 4.27Å; I177-F189 HydrophobicContact CG2-CD1 3.86Å; I177-F189 HydrophobicContact CG2-CD2 3.71Å; I177-F189 HydrophobicContact CG2-CE1 4.05Å; I177-F189 HydrophobicContact CG2-CE2 3.89Å; I177-F189 HydrophobicContact CG2-CG 3.68Å; I177-F189 HydrophobicContact CG2-CZ 4.05Å |
| 178 | I | 82.8 | Confident | 81.9 | Confident | 2 Ų | 2 | 81.3 Ų | 81.3 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | I | π-helix | trans | -89.2 | -29.5 | -170.5 | -65.1 | 163.3 | 0 | 0 | 0 | 112.4 | P174 A175 E176 R186 F189 V208 L209 Y212 | P174-I178 HydrophobicContact CB-CD1 4.11Å; P174-I178 VanDerWaalsContact O-CD1 3.24Å; P174-I178 WeakPolarHBondContact O-CD1 3.2Å; P174-I178 WeakPolarHBondContact O-CG1 3.38Å; P174-I178 PolarHBondContact O-N 3.21Å; A175-I178 PolarHBondContact O-N 2.71Å; A175-I178 VanDerWaalsContact O-N 3.08Å; E176-I178 VanDerWaalsContact C-N 3.34Å; E176-I178 PolarHBondContact O-N 3.19Å; I178-R186 PolarHBondContact O-NH1 2.57Å; I178-F189 HydrophobicContact CD1-CZ 4.43Å; I178-F189 HydrophobicContact CG1-CE1 3.83Å; I178-F189 HydrophobicContact CG1-CZ 4Å; I178-V208 HydrophobicContact CD1-CG1 3.41Å; I178-V208 VanDerWaalsContact CD1-CG1 3.41Å; I178-V208 HydrophobicContact CG1-CG1 3.75Å; I178-V208 HydrophobicContact CG2-CG1 4.47Å; I178-L209 HydrophobicContact CG2-CD2 3.72Å; I178-L209 HydrophobicContact CG2-CG 4.47Å; I178-Y212 HydrophobicContact CD1-CD2 3.31Å; I178-Y212 HydrophobicContact CD1-CE2 4Å; I178-Y212 HydrophobicContact CD1-CG 3.64Å |
| 179 | F | 81.9 | Confident | 81.9 | Confident | 95 Ų | 95 | 73.8 Ų | 73.8 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | I | π-helix | trans | -124.3 | -29 | -172.5 | -57.8 | -72 | 0 | 0 | 0 | 114.8 | A175 L209 Y212 D213 | A175-F179 HydrophobicContact CB-CD2 4.02Å; A175-F179 HydrophobicContact CB-CE2 4.39Å; A175-F179 WeakPolarHBondContact O-CD2 3.47Å; A175-F179 PolarHBondContact O-N 3.25Å; F179-L209 HydrophobicContact CD1-CD2 4.31Å; F179-L209 HydrophobicContact CE1-CD2 3.6Å; F179-L209 HydrophobicContact CZ-CD2 4.14Å; F179-Y212 WeakPolarHBondContact CE2-O 3.41Å; F179-D213 HydrophobicContact CE1-CB 4.35Å; F179-D213 HydrophobicContact CZ-CB 3.83Å |
| 180 | E | 81.9 | Confident | 82.1 | Confident | 163 Ų | 163 | 68.2 Ų | 68.2 | 76% | 0.762 | 34% | 0.344 | S | S | * | . | I | π-helix | trans | -102.4 | -43.1 | -172.9 | -51.5 | -162.6 | 156.4 | 0 | 0 | 112.8 | E176 | E176-E180 WeakPolarHBondContact O-CA 3.25Å; E176-E180 WeakPolarHBondContact O-CB 3.44Å; E176-E180 PolarHBondContact O-N 3.31Å |
| 181 | M | 81.1 | Confident | 82.3 | Confident | 38 Ų | 38 | 70.5 Ų | 70.5 | 19% | 0.187 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -60.3 | 145.2 | 177.4 | -67.8 | -165.6 | 108.9 | 0 | 0 | 113.4 | I171 E176 I177 E185 | I171-M181 HydrophobicContact CD1-CE 4.32Å; I171-M181 HydrophobicContact CD1-SD 4.18Å; E176-M181 PolarHBondContact O-N 2.7Å; I177-M181 HydrophobicContact CB-SD 4.24Å; I177-M181 HydrophobicContact CG1-SD 4.23Å; I177-M181 HydrophobicContact CG2-SD 4.03Å; M181-E185 HydrophobicContact CB-CB 4.45Å; M181-E185 HydrophobicContact CE-CB 3.95Å |
| 182 | S | 80.8 | Confident | 82.3 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | trans | -62.9 | 165.8 | 175.9 | 70.3 | 0 | 0 | 0 | 0 | 112.7 | E184 E185 R186 | S182-E184 PolarHBondContact O-N 3.17Å; S182-E185 WeakPolarHBondContact CB-OE2 3.44Å; S182-E185 PolarHBondContact N-OE2 3.1Å; S182-E185 VanDerWaalsContact OG-CD 3.22Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.18Å; S182-E185 PolarHBondContact OG-N 3.23Å; S182-E185 PolarHBondContact OG-OE2 3.14Å; S182-R186 VanDerWaalsContact O-CD 3.24Å; S182-R186 WeakPolarHBondContact O-CD 3.31Å; S182-R186 WeakPolarHBondContact O-CG 3.07Å; S182-R186 PolarHBondContact O-N 2.84Å | ||
| 183 | K | 75.1 | Confident | 82.7 | Confident | 157 Ų | 157 | 61.6 Ų | 61.6 | 68% | 0.683 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -29.1 | 177.5 | -60 | 169.9 | -174.7 | 165 | 0 | 111.2 | K187 | K183-K187 PolarHBondContact O-N 3.44Š|
| 184 | E | 73.1 | Confident | 83 | Confident | 129 Ų | 129 | 57.7 Ų | 57.7 | 60% | 0.603 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -40.3 | -174.3 | -66.4 | 59.9 | -136.5 | 0 | 0 | 110.9 | S182 K187 | S182-E184 PolarHBondContact O-N 3.17Å; E184-K187 WeakPolarHBondContact O-CB 3.38Å; E184-K187 VanDerWaalsContact O-CD 3.31Å; E184-K187 WeakPolarHBondContact O-CD 3.26Å; E184-K187 VanDerWaalsContact O-CG 3.25Å; E184-K187 WeakPolarHBondContact O-CG 3.17Å |
| 185 | E | 78.1 | Confident | 83.2 | Confident | 98 Ų | 98 | 59.5 Ų | 59.5 | 46% | 0.458 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -31.4 | 175.7 | -69.6 | 159.5 | 131.6 | 0 | 0 | 112.9 | M181 S182 | M181-E185 HydrophobicContact CB-CB 4.45Å; M181-E185 HydrophobicContact CE-CB 3.95Å; S182-E185 WeakPolarHBondContact CB-OE2 3.44Å; S182-E185 PolarHBondContact N-OE2 3.1Å; S182-E185 VanDerWaalsContact OG-CD 3.22Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.18Å; S182-E185 PolarHBondContact OG-N 3.23Å; S182-E185 PolarHBondContact OG-OE2 3.14Å |
| 186 | R | 81.9 | Confident | 83.2 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 17 | 178.9 | 78.4 | -159.7 | -169.1 | 154.3 | -0.7 | 114.3 | I178 S182 D188 F189 Y190 | I178-R186 PolarHBondContact O-NH1 2.57Å; S182-R186 VanDerWaalsContact O-CD 3.24Å; S182-R186 WeakPolarHBondContact O-CD 3.31Å; S182-R186 WeakPolarHBondContact O-CG 3.07Å; S182-R186 PolarHBondContact O-N 2.84Å; R186-D188 PolarHBondContact O-N 3.28Å; R186-F189 HydrophobicContact CB-CB 4.04Å; R186-F189 WeakPolarHBondContact O-CB 3.48Å; R186-F189 PolarHBondContact O-N 3.47Å; R186-Y190 HydrophobicContact CG-CE2 4.24Å |
| 187 | K | 80.6 | Confident | 83.3 | Confident | 141 Ų | 141 | 56.9 Ų | 56.9 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.2 | -177.1 | 68.2 | -175.6 | 176 | -174.6 | 0 | 114 | K183 E184 R191 | K183-K187 PolarHBondContact O-N 3.44Å; E184-K187 WeakPolarHBondContact O-CB 3.38Å; E184-K187 VanDerWaalsContact O-CD 3.31Å; E184-K187 WeakPolarHBondContact O-CD 3.26Å; E184-K187 VanDerWaalsContact O-CG 3.25Å; E184-K187 WeakPolarHBondContact O-CG 3.17Å; K187-R191 PolarHBondContact O-NH1 2.89Å |
| 188 | D | 85.1 | Confident | 83.5 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -17.8 | 180 | 56.2 | -66.1 | 0 | 0 | 0 | 113.2 | Y165 R169 R186 R191 S192 | Y165-D188 WeakPolarHBondContact CE2-OD2 3.35Å; Y165-D188 PolarHBondContact OH-OD2 2.56Å; R169-D188 IonicContact CZ-OD2 2.66Å; R169-D188 VanDerWaalsContact NH2-CG 3.26Å; R169-D188 IonicContact NH2-OD1 3.94Å; R169-D188 PolarHBondContact NH2-OD1 3.32Å; R169-D188 IonicContact NH2-OD2 3.05Å; R169-D188 PolarHBondContact NH2-OD2 2.87Å; R186-D188 PolarHBondContact O-N 3.28Å; D188-R191 PolarHBondContact O-N 3.38Å; D188-S192 WeakPolarHBondContact O-CB 3.48Å; D188-S192 PolarHBondContact O-N 3.23Å; D188-S192 PolarHBondContact O-OG 3Å |
| 189 | F | 87.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53 | -61.4 | 178.5 | 174 | -119.3 | 0 | 0 | 0 | 112.2 | I162 Y165 I177 I178 R186 R191 S192 V193 V208 | I162-F189 HydrophobicContact CG1-CE2 4.23Å; I162-F189 HydrophobicContact CG1-CZ 4.19Å; Y165-F189 AromaticContact CD1-CD2 3.5Å; Y165-F189 HydrophobicContact CD1-CD2 3.5Å; Y165-F189 HydrophobicContact CD1-CE2 4.05Å; Y165-F189 HydrophobicContact CD2-CD2 4.18Å; Y165-F189 HydrophobicContact CE1-CB 4.09Å; Y165-F189 AromaticContact CE1-CD2 3.59Å; Y165-F189 HydrophobicContact CE1-CD2 3.59Å; Y165-F189 HydrophobicContact CE1-CE2 4.45Å; Y165-F189 HydrophobicContact CE1-CG 4.23Å; Y165-F189 HydrophobicContact CE2-CB 4.08Å; Y165-F189 HydrophobicContact CE2-CD2 4.27Å; Y165-F189 AromaticContact CG-CD2 3.8Å; Y165-F189 HydrophobicContact CG-CD2 3.8Å; Y165-F189 HydrophobicContact CG-CE2 4.39Å; Y165-F189 AromaticContact CZ-CD2 3.97Å; I177-F189 HydrophobicContact CD1-CE2 4.42Å; I177-F189 HydrophobicContact CG2-CB 4.27Å; I177-F189 HydrophobicContact CG2-CD1 3.86Å; I177-F189 HydrophobicContact CG2-CD2 3.71Å; I177-F189 HydrophobicContact CG2-CE1 4.05Å; I177-F189 HydrophobicContact CG2-CE2 3.89Å; I177-F189 HydrophobicContact CG2-CG 3.68Å; I177-F189 HydrophobicContact CG2-CZ 4.05Å; I178-F189 HydrophobicContact CD1-CZ 4.43Å; I178-F189 HydrophobicContact CG1-CE1 3.83Å; I178-F189 HydrophobicContact CG1-CZ 4Å; R186-F189 HydrophobicContact CB-CB 4.04Å; R186-F189 WeakPolarHBondContact O-CB 3.48Å; R186-F189 PolarHBondContact O-N 3.47Å; F189-R191 PolarHBondContact O-N 2.84Å; F189-S192 PolarHBondContact O-N 3.28Å; F189-S192 VanDerWaalsContact O-N 3.16Å; F189-V193 HydrophobicContact CD2-CG2 3.76Å; F189-V193 HydrophobicContact CE2-CG2 3.55Å; F189-V193 HydrophobicContact CG-CG2 4.44Å; F189-V193 HydrophobicContact CZ-CG2 4.04Å; F189-V193 WeakPolarHBondContact O-CB 3.43Å; F189-V193 VanDerWaalsContact O-CG2 3.27Å; F189-V193 WeakPolarHBondContact O-CG2 3.37Å; F189-V193 PolarHBondContact O-N 2.83Å; F189-V208 HydrophobicContact CE1-CG1 4.22Å; F189-V208 HydrophobicContact CZ-CG1 4.4Å |
| 190 | Y | 88.3 | Confident | 83.9 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -28.9 | -176 | -67.5 | -72.5 | 0 | 0 | 0 | 113.1 | W128 R186 A194 L201 Y205 V208 | W128-Y190 AromaticContact CH2-CD2 3.8Å; W128-Y190 HydrophobicContact CH2-CD2 3.8Å; W128-Y190 HydrophobicContact CH2-CE2 4.4Å; W128-Y190 HydrophobicContact CH2-CG 4.11Å; W128-Y190 HydrophobicContact CZ2-CD2 4.12Å; R186-Y190 HydrophobicContact CG-CE2 4.24Å; Y190-A194 VanDerWaalsContact O-CB 3.27Å; Y190-A194 WeakPolarHBondContact O-CB 3.43Å; Y190-A194 PolarHBondContact O-N 2.95Å; Y190-A194 VanDerWaalsContact O-N 3.1Å; Y190-L201 WeakPolarHBondContact O-CD1 3.18Å; Y190-Y205 HydrophobicContact CD1-CD2 4.14Å; Y190-Y205 HydrophobicContact CD2-CD2 4.34Å; Y190-Y205 AromaticContact CE1-CD2 3.66Å; Y190-Y205 HydrophobicContact CE1-CD2 3.66Å; Y190-Y205 HydrophobicContact CE1-CG 4.47Å; Y190-Y205 AromaticContact CE2-CD2 3.9Å; Y190-Y205 HydrophobicContact CE2-CD2 3.9Å; Y190-Y205 HydrophobicContact CE2-CE2 4.25Å; Y190-Y205 HydrophobicContact CG-CD2 4.46Å; Y190-Y205 AromaticContact CZ-CD2 3.54Å; Y190-Y205 AromaticContact CZ-CE2 3.99Å; Y190-V208 HydrophobicContact CE1-CB 4.22Å; Y190-V208 HydrophobicContact CE1-CG1 4.12Å |
| 191 | R | 87.3 | Confident | 84.1 | Confident | 111 Ų | 111 | 48.3 Ų | 48.3 | 42% | 0.419 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -72 | -46.9 | 174.7 | -69.9 | -174.4 | 175.6 | 107.6 | -15.4 | 111.6 | K187 D188 F189 V193 A194 L195 L201 | K187-R191 PolarHBondContact O-NH1 2.89Å; D188-R191 PolarHBondContact O-N 3.38Å; F189-R191 PolarHBondContact O-N 2.84Å; R191-V193 VanDerWaalsContact C-N 3.26Å; R191-V193 PolarHBondContact O-N 3.33Å; R191-A194 PolarHBondContact O-N 3.34Å; R191-A194 VanDerWaalsContact O-N 3.11Å; R191-L195 PolarHBondContact O-N 3.18Å; R191-L201 HydrophobicContact CG-CD1 4.39Å; R191-L201 HydrophobicContact CG-CD2 4.15Å |
| 192 | S | 87.8 | Confident | 84.4 | Confident | 21 Ų | 21 | 49 Ų | 49 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -39.8 | 174.5 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | D188 F189 A194 L195 | D188-S192 WeakPolarHBondContact O-CB 3.48Å; D188-S192 PolarHBondContact O-N 3.23Å; D188-S192 PolarHBondContact O-OG 3Å; F189-S192 PolarHBondContact O-N 3.28Å; F189-S192 VanDerWaalsContact O-N 3.16Å; S192-A194 VanDerWaalsContact C-N 3.31Å; S192-L195 WeakPolarHBondContact O-CB 3.28Å; S192-L195 WeakPolarHBondContact O-CD1 3.43Å; S192-L195 WeakPolarHBondContact O-CG 3.38Å; S192-L195 PolarHBondContact O-N 3.46Å |
| 193 | V | 90.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.9 | -25.4 | 178.8 | 170.8 | 0 | 0 | 0 | 0 | 112.5 | L158 N161 I162 F189 R191 V204 V208 | L158-V193 HydrophobicContact CD1-CG1 3.36Å; L158-V193 HydrophobicContact CG-CG1 4.17Å; N161-V193 PolarHBondContact ND2-O 3.21Å; I162-V193 HydrophobicContact CD1-CG1 4.19Å; I162-V193 HydrophobicContact CG1-CB 4.37Å; I162-V193 HydrophobicContact CG1-CG1 3.79Å; I162-V193 HydrophobicContact CG1-CG2 3.57Å; F189-V193 HydrophobicContact CD2-CG2 3.76Å; F189-V193 HydrophobicContact CE2-CG2 3.55Å; F189-V193 HydrophobicContact CG-CG2 4.44Å; F189-V193 HydrophobicContact CZ-CG2 4.04Å; F189-V193 WeakPolarHBondContact O-CB 3.43Å; F189-V193 VanDerWaalsContact O-CG2 3.27Å; F189-V193 WeakPolarHBondContact O-CG2 3.37Å; F189-V193 PolarHBondContact O-N 2.83Å; R191-V193 VanDerWaalsContact C-N 3.26Å; R191-V193 PolarHBondContact O-N 3.33Å; V193-V204 HydrophobicContact CG1-CG1 4.05Å; V193-V208 HydrophobicContact CG1-CG2 4.05Å |
| 194 | A | 88.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 2.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y190 R191 S192 L197 L201 V204 | Y190-A194 VanDerWaalsContact O-CB 3.27Å; Y190-A194 WeakPolarHBondContact O-CB 3.43Å; Y190-A194 PolarHBondContact O-N 2.95Å; Y190-A194 VanDerWaalsContact O-N 3.1Å; R191-A194 PolarHBondContact O-N 3.34Å; R191-A194 VanDerWaalsContact O-N 3.11Å; S192-A194 VanDerWaalsContact C-N 3.31Å; A194-L197 PolarHBondContact O-N 3.36Å; A194-L201 HydrophobicContact CB-CD1 3.97Å; A194-V204 HydrophobicContact CB-CB 4.46Å; A194-V204 HydrophobicContact CB-CG1 4.24Å; A194-V204 HydrophobicContact CB-CG2 3.93Å |
| 195 | L | 86.4 | Confident | 86.1 | Confident | 60 Ų | 60 | 37.6 Ų | 37.6 | 31% | 0.314 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 134 | 174.6 | -64.9 | 175.1 | 0 | 0 | 0 | 110.8 | V121 N161 R191 S192 L197 | V121-L195 HydrophobicContact CB-CD2 4.47Å; V121-L195 HydrophobicContact CG1-CD2 4.06Å; V121-L195 HydrophobicContact CG2-CD2 3.78Å; N161-L195 PolarHBondContact ND2-O 3.27Å; R191-L195 PolarHBondContact O-N 3.18Å; S192-L195 WeakPolarHBondContact O-CB 3.28Å; S192-L195 WeakPolarHBondContact O-CD1 3.43Å; S192-L195 WeakPolarHBondContact O-CG 3.38Å; S192-L195 PolarHBondContact O-N 3.46Å; L195-L197 PolarHBondContact O-N 2.91Å |
| 196 | G | 83.4 | Confident | 86.6 | Confident | 46 Ų | 46 | 39.3 Ų | 39.3 | 47% | 0.474 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | -2.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 197 | L | 86.4 | Confident | 87 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | trans | -95.3 | 117.7 | 177.4 | -67.1 | -178.8 | 0 | 0 | 0 | 111.6 | S122 W150 E154 I157 L158 A194 L195 R199 V204 | S122-L197 WeakPolarHBondContact CB-O 3.5Å; W150-L197 HydrophobicContact CH2-CD1 4.11Å; W150-L197 HydrophobicContact CZ3-CD1 3.94Å; W150-L197 HydrophobicContact CZ3-CD2 4.48Å; E154-L197 HydrophobicContact CB-CD2 4.09Å; E154-L197 HydrophobicContact CG-CD2 4.37Å; I157-L197 HydrophobicContact CB-CD2 3.97Å; I157-L197 HydrophobicContact CD1-CD2 4.47Å; I157-L197 HydrophobicContact CG2-CD2 3.65Å; I157-L197 HydrophobicContact CG2-CG 3.92Å; L158-L197 HydrophobicContact CB-CD1 4.31Å; L158-L197 HydrophobicContact CD1-CD1 3.6Å; A194-L197 PolarHBondContact O-N 3.36Å; L195-L197 PolarHBondContact O-N 2.91Å; L197-R199 PolarHBondContact O-N 3.38Å; L197-V204 HydrophobicContact CD1-CG1 4.43Å; L197-V204 HydrophobicContact CD1-CG2 4.24Å | ||
| 198 | N | 85.4 | Confident | 87.4 | Confident | 51 Ų | 51 | 33.8 Ų | 33.8 | 27% | 0.273 | 17% | 0.168 | S | C | . | . | trans | -78.9 | 57.3 | 174.6 | -170.1 | 10.6 | 0 | 0 | 0 | 112 | H143 R144 W145 K146 | H143-N198 PolarHBondContact CE1-OD1 3.26Å; H143-N198 PolarHBondContact NE2-OD1 3.3Å; R144-N198 PolarHBondContact O-ND2 3.31Å; W145-N198 WeakPolarHBondContact CA-OD1 3.32Å; W145-N198 WeakPolarHBondContact CB-OD1 3.34Å; K146-N198 PolarHBondContact N-O 3.06Å | ||
| 199 | R | 85.9 | Confident | 87.4 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -144.8 | 149.6 | -178.7 | -66.6 | -164.1 | -179.2 | -123.3 | -6.8 | 112.6 | K146 G148 M149 E154 L197 | K146-R199 HydrophobicContact CB-CG 4.27Å; G148-R199 PolarHBondContact O-NH1 3.48Å; G148-R199 VanDerWaalsContact O-NH1 3.08Å; M149-R199 PolarHBondContact O-NH1 3.46Å; M149-R199 PolarHBondContact O-NH2 3.32Å; E154-R199 VanDerWaalsContact CD-NH2 3.27Å; E154-R199 IonicContact OE1-CZ 3.45Å; E154-R199 VanDerWaalsContact OE1-CZ 3.31Å; E154-R199 IonicContact OE1-NE 2.73Å; E154-R199 PolarHBondContact OE1-NE 3.27Å; E154-R199 IonicContact OE1-NH2 3.27Å; E154-R199 PolarHBondContact OE1-NH2 3.41Å; E154-R199 IonicContact OE2-CZ 3.9Å; E154-R199 IonicContact OE2-NE 2.66Å; E154-R199 PolarHBondContact OE2-NE 3.07Å; E154-R199 IonicContact OE2-NH2 3.79Å; E154-R199 PolarHBondContact OE2-NH2 3.2Å; L197-R199 PolarHBondContact O-N 3.38Å |
| 200 | P | 86.9 | Confident | 87.3 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 14% | 0.143 | 19% | 0.188 | C | C | . | . | trans | -57.5 | 142.1 | 173.1 | -21.4 | 29.3 | 0 | 0 | 0 | 113.6 | V124 F202 A203 V204 | V124-P200 HydrophobicContact CG1-CB 4.09Å; V124-P200 HydrophobicContact CG1-CG 3.63Å; V124-P200 WeakPolarHBondContact O-CA 3.32Å; P200-F202 VanDerWaalsContact C-N 3.26Å; P200-F202 PolarHBondContact O-N 2.82Å; P200-F202 VanDerWaalsContact O-N 3.16Å; P200-A203 WeakPolarHBondContact O-CA 3.47Å; P200-A203 VanDerWaalsContact O-CB 3.26Å; P200-A203 WeakPolarHBondContact O-CB 3.32Å; P200-A203 PolarHBondContact O-N 2.79Å; P200-V204 PolarHBondContact O-N 3.37Å | ||
| 201 | L | 86.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.4 | -38.7 | -177.7 | -170.9 | 61.3 | 0 | 0 | 0 | 113.2 | A127 W128 Y190 R191 A194 A203 V204 Y205 | A127-L201 VanDerWaalsContact O-CB 3.29Å; A127-L201 WeakPolarHBondContact O-CB 3.24Å; W128-L201 HydrophobicContact CD2-CD2 3.86Å; W128-L201 HydrophobicContact CD2-CG 4.33Å; W128-L201 HydrophobicContact CG-CD2 3.89Å; W128-L201 HydrophobicContact CZ2-CD2 4.42Å; Y190-L201 WeakPolarHBondContact O-CD1 3.18Å; R191-L201 HydrophobicContact CG-CD1 4.39Å; R191-L201 HydrophobicContact CG-CD2 4.15Å; A194-L201 HydrophobicContact CB-CD1 3.97Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 3.48Å; L201-V204 WeakPolarHBondContact O-CB 3.44Å; L201-V204 PolarHBondContact O-N 3.33Å; L201-Y205 WeakPolarHBondContact O-CB 3.32Å; L201-Y205 PolarHBondContact O-N 3.18Å |
| 202 | F | 86.4 | Confident | 86.9 | Confident | 54 Ų | 54 | 38 Ų | 38 | 24% | 0.237 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.4 | -21.6 | 176.4 | -173.5 | -132.9 | 0 | 0 | 0 | 114 | W128 F129 P200 Y205 R206 | W128-F202 WeakPolarHBondContact O-CB 3.5Å; F129-F202 HydrophobicContact CD1-CD1 4.32Å; F129-F202 AromaticContact CE1-CD1 3.82Å; F129-F202 HydrophobicContact CE1-CD1 3.82Å; F129-F202 AromaticContact CE1-CE1 3.83Å; F129-F202 HydrophobicContact CE1-CE1 3.83Å; F129-F202 HydrophobicContact CE1-CG 4.2Å; F129-F202 HydrophobicContact CE1-CZ 4.25Å; P200-F202 VanDerWaalsContact C-N 3.26Å; P200-F202 PolarHBondContact O-N 2.82Å; P200-F202 VanDerWaalsContact O-N 3.16Å; F202-Y205 AromaticContact CD2-CD1 3.63Å; F202-Y205 HydrophobicContact CD2-CD1 3.63Å; F202-Y205 HydrophobicContact CD2-CE1 4.25Å; F202-Y205 HydrophobicContact CD2-CG 4.45Å; F202-Y205 AromaticContact CE2-CD1 3.8Å; F202-Y205 HydrophobicContact CE2-CD1 3.8Å; F202-Y205 AromaticContact CE2-CE1 3.98Å; F202-Y205 HydrophobicContact CE2-CE1 3.98Å; F202-R206 VanDerWaalsContact CE1-NH2 3.27Å; F202-R206 HydrophobicContact CE2-CG 4.49Å; F202-R206 WeakPolarHBondContact O-CB 3.23Å; F202-R206 WeakPolarHBondContact O-CD 3.42Å; F202-R206 VanDerWaalsContact O-CG 3.25Å; F202-R206 WeakPolarHBondContact O-CG 3.48Å; F202-R206 PolarHBondContact O-N 2.85Å; F202-R206 VanDerWaalsContact O-N 3.16Å |
| 203 | A | 87.4 | Confident | 86.5 | Confident | 31 Ų | 31 | 38.4 Ų | 38.4 | 26% | 0.256 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -74.8 | -39 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P200 L201 R206 R207 | P200-A203 WeakPolarHBondContact O-CA 3.47Å; P200-A203 VanDerWaalsContact O-CB 3.26Å; P200-A203 WeakPolarHBondContact O-CB 3.32Å; P200-A203 PolarHBondContact O-N 2.79Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 3.48Å; A203-R206 PolarHBondContact O-N 3.31Å; A203-R207 PolarHBondContact O-N 3.15Å |
| 204 | V | 89.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -54.3 | 172.6 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | W150 L158 V193 A194 L197 P200 L201 R206 R207 V208 | W150-V204 HydrophobicContact CH2-CG2 4.21Å; L158-V204 HydrophobicContact CD1-CG1 3.61Å; V193-V204 HydrophobicContact CG1-CG1 4.05Å; A194-V204 HydrophobicContact CB-CB 4.46Å; A194-V204 HydrophobicContact CB-CG1 4.24Å; A194-V204 HydrophobicContact CB-CG2 3.93Å; L197-V204 HydrophobicContact CD1-CG1 4.43Å; L197-V204 HydrophobicContact CD1-CG2 4.24Å; P200-V204 PolarHBondContact O-N 3.37Å; L201-V204 WeakPolarHBondContact O-CB 3.44Å; L201-V204 PolarHBondContact O-N 3.33Å; V204-R206 VanDerWaalsContact C-N 3.32Å; V204-R206 PolarHBondContact O-N 3.37Å; V204-R207 WeakPolarHBondContact O-CA 3.3Å; V204-R207 WeakPolarHBondContact O-CB 3.4Å; V204-R207 PolarHBondContact O-N 3.4Å; V204-V208 HydrophobicContact CG1-CG2 4.31Å; V204-V208 WeakPolarHBondContact O-CG2 3.39Å; V204-V208 PolarHBondContact O-N 3.49Å |
| 205 | Y | 88.5 | Confident | 85.1 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -47.9 | -50.3 | 173.1 | 171.7 | -104.8 | 0 | 0 | 0 | 112.8 | W128 Y190 L201 F202 R207 L209 | W128-Y205 AromaticContact CH2-CD2 3.87Å; W128-Y205 HydrophobicContact CH2-CD2 3.87Å; W128-Y205 HydrophobicContact CH2-CE2 4.41Å; W128-Y205 HydrophobicContact CH2-CG 4.24Å; W128-Y205 HydrophobicContact CZ3-CD1 4.3Å; W128-Y205 AromaticContact CZ3-CD2 3.85Å; W128-Y205 HydrophobicContact CZ3-CD2 3.85Å; W128-Y205 HydrophobicContact CZ3-CE2 4.44Å; W128-Y205 AromaticContact CZ3-CG 3.77Å; W128-Y205 HydrophobicContact CZ3-CG 3.77Å; Y190-Y205 HydrophobicContact CD1-CD2 4.14Å; Y190-Y205 HydrophobicContact CD2-CD2 4.34Å; Y190-Y205 AromaticContact CE1-CD2 3.66Å; Y190-Y205 HydrophobicContact CE1-CD2 3.66Å; Y190-Y205 HydrophobicContact CE1-CG 4.47Å; Y190-Y205 AromaticContact CE2-CD2 3.9Å; Y190-Y205 HydrophobicContact CE2-CD2 3.9Å; Y190-Y205 HydrophobicContact CE2-CE2 4.25Å; Y190-Y205 HydrophobicContact CG-CD2 4.46Å; Y190-Y205 AromaticContact CZ-CD2 3.54Å; Y190-Y205 AromaticContact CZ-CE2 3.99Å; L201-Y205 WeakPolarHBondContact O-CB 3.32Å; L201-Y205 PolarHBondContact O-N 3.18Å; F202-Y205 AromaticContact CD2-CD1 3.63Å; F202-Y205 HydrophobicContact CD2-CD1 3.63Å; F202-Y205 HydrophobicContact CD2-CE1 4.25Å; F202-Y205 HydrophobicContact CD2-CG 4.45Å; F202-Y205 AromaticContact CE2-CD1 3.8Å; F202-Y205 HydrophobicContact CE2-CD1 3.8Å; F202-Y205 AromaticContact CE2-CE1 3.98Å; F202-Y205 HydrophobicContact CE2-CE1 3.98Å; Y205-R207 VanDerWaalsContact C-N 3.27Å; Y205-R207 PolarHBondContact O-N 2.92Å; Y205-L209 HydrophobicContact CD1-CD1 4.06Å; Y205-L209 HydrophobicContact CD2-CD1 4.26Å; Y205-L209 HydrophobicContact CE1-CD1 3.55Å; Y205-L209 HydrophobicContact CE2-CD1 3.78Å; Y205-L209 HydrophobicContact CE2-CG 4.36Å; Y205-L209 HydrophobicContact CG-CD1 4.39Å; Y205-L209 VanDerWaalsContact CZ-CD1 3.4Å; Y205-L209 WeakPolarHBondContact O-CB 3.48Å; Y205-L209 PolarHBondContact O-N 3.15Å |
| 206 | R | 88.7 | Confident | 84.4 | Confident | 135 Ų | 135 | 49.1 Ų | 49.1 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69 | -17.2 | 176.9 | -77 | 171.7 | 165.2 | 179.1 | -4.4 | 114.1 | F202 A203 V204 R210 | F202-R206 VanDerWaalsContact CE1-NH2 3.27Å; F202-R206 HydrophobicContact CE2-CG 4.49Å; F202-R206 WeakPolarHBondContact O-CB 3.23Å; F202-R206 WeakPolarHBondContact O-CD 3.42Å; F202-R206 VanDerWaalsContact O-CG 3.25Å; F202-R206 WeakPolarHBondContact O-CG 3.48Å; F202-R206 PolarHBondContact O-N 2.85Å; F202-R206 VanDerWaalsContact O-N 3.16Å; A203-R206 PolarHBondContact O-N 3.31Å; V204-R206 VanDerWaalsContact C-N 3.32Å; V204-R206 PolarHBondContact O-N 3.37Å; R206-R210 VanDerWaalsContact O-CZ 3.25Å; R206-R210 PolarHBondContact O-NE 2.63Å; R206-R210 PolarHBondContact O-NH2 2.81Å |
| 207 | R | 90.1 | Very high | 83.7 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -84.3 | -52.3 | 173.8 | 176.4 | 63.1 | -177.4 | 159.9 | 8.2 | 109.9 | W150 I155 L158 A203 V204 Y205 L209 R210 M211 | W150-R207 HydrophobicContact CD2-CB 4.28Å; W150-R207 HydrophobicContact CD2-CG 3.77Å; W150-R207 HydrophobicContact CE3-CG 3.96Å; W150-R207 HydrophobicContact CG-CG 4.42Å; W150-R207 HydrophobicContact CH2-CB 3.85Å; W150-R207 HydrophobicContact CH2-CG 3.95Å; W150-R207 HydrophobicContact CZ2-CB 3.37Å; W150-R207 HydrophobicContact CZ2-CG 3.75Å; W150-R207 HydrophobicContact CZ3-CB 4.46Å; W150-R207 HydrophobicContact CZ3-CG 4.05Å; I155-R207 VanDerWaalsContact CD1-NH2 3.28Å; L158-R207 HydrophobicContact CD2-CB 4.33Å; L158-R207 HydrophobicContact CD2-CG 3.55Å; A203-R207 PolarHBondContact O-N 3.15Å; V204-R207 WeakPolarHBondContact O-CA 3.3Å; V204-R207 WeakPolarHBondContact O-CB 3.4Å; V204-R207 PolarHBondContact O-N 3.4Å; Y205-R207 VanDerWaalsContact C-N 3.27Å; Y205-R207 PolarHBondContact O-N 2.92Å; R207-L209 PolarHBondContact O-N 3.27Å; R207-R210 PolarHBondContact O-N 3.5Å; R207-M211 HydrophobicContact CG-SD 3.85Å; R207-M211 VanDerWaalsContact CZ-SD 3.58Å; R207-M211 PolarHBondContact NE-SD 3.23Å; R207-M211 PolarHBondContact O-N 2.92Å |
| 208 | V | 89.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.9 | -53.5 | 177.1 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L158 I162 I178 F189 Y190 V193 V204 R210 M211 Y212 | L158-V208 HydrophobicContact CD1-CG2 3.91Å; L158-V208 HydrophobicContact CD2-CG2 4.04Å; L158-V208 HydrophobicContact CG-CG2 4.22Å; I162-V208 HydrophobicContact CD1-CG1 4.34Å; I162-V208 HydrophobicContact CD1-CG2 4.19Å; I178-V208 HydrophobicContact CD1-CG1 3.41Å; I178-V208 VanDerWaalsContact CD1-CG1 3.41Å; I178-V208 HydrophobicContact CG1-CG1 3.75Å; I178-V208 HydrophobicContact CG2-CG1 4.47Å; F189-V208 HydrophobicContact CE1-CG1 4.22Å; F189-V208 HydrophobicContact CZ-CG1 4.4Å; Y190-V208 HydrophobicContact CE1-CB 4.22Å; Y190-V208 HydrophobicContact CE1-CG1 4.12Å; V193-V208 HydrophobicContact CG1-CG2 4.05Å; V204-V208 HydrophobicContact CG1-CG2 4.31Å; V204-V208 WeakPolarHBondContact O-CG2 3.39Å; V204-V208 PolarHBondContact O-N 3.49Å; V208-R210 PolarHBondContact O-N 2.84Å; V208-R210 VanDerWaalsContact O-N 3.09Å; V208-M211 PolarHBondContact O-N 3.44Å; V208-Y212 HydrophobicContact CG1-CD2 4.21Å; V208-Y212 HydrophobicContact CG1-CE2 4.43Å; V208-Y212 WeakPolarHBondContact O-CD2 3.42Å; V208-Y212 PolarHBondContact O-N 3.16Å |
| 209 | L | 86.4 | Confident | 83 | Confident | 39 Ų | 39 | 56 Ų | 56 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53 | -35.7 | 177.7 | -83.1 | 172.5 | 0 | 0 | 0 | 114 | I178 F179 Y205 R207 D213 | I178-L209 HydrophobicContact CG2-CD2 3.72Å; I178-L209 HydrophobicContact CG2-CG 4.47Å; F179-L209 HydrophobicContact CD1-CD2 4.31Å; F179-L209 HydrophobicContact CE1-CD2 3.6Å; F179-L209 HydrophobicContact CZ-CD2 4.14Å; Y205-L209 HydrophobicContact CD1-CD1 4.06Å; Y205-L209 HydrophobicContact CD2-CD1 4.26Å; Y205-L209 HydrophobicContact CE1-CD1 3.55Å; Y205-L209 HydrophobicContact CE2-CD1 3.78Å; Y205-L209 HydrophobicContact CE2-CG 4.36Å; Y205-L209 HydrophobicContact CG-CD1 4.39Å; Y205-L209 VanDerWaalsContact CZ-CD1 3.4Å; Y205-L209 WeakPolarHBondContact O-CB 3.48Å; Y205-L209 PolarHBondContact O-N 3.15Å; R207-L209 PolarHBondContact O-N 3.27Å; L209-D213 WeakPolarHBondContact O-CB 3.33Å; L209-D213 PolarHBondContact O-N 2.93Å |
| 210 | R | 84.1 | Confident | 82.9 | Confident | 122 Ų | 122 | 65.2 Ų | 65.2 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -91.6 | 1.4 | -178.2 | -75.7 | 178.5 | -64.5 | 168.9 | 5.4 | 114 | R206 R207 V208 N216 H217 | R206-R210 VanDerWaalsContact O-CZ 3.25Å; R206-R210 PolarHBondContact O-NE 2.63Å; R206-R210 PolarHBondContact O-NH2 2.81Å; R207-R210 PolarHBondContact O-N 3.5Å; V208-R210 PolarHBondContact O-N 2.84Å; V208-R210 VanDerWaalsContact O-N 3.09Å; R210-N216 PolarHBondContact O-ND2 3.47Å; R210-N216 VanDerWaalsContact O-ND2 3.17Å; R210-H217 PolarHBondContact O-NE2 3.44Å |
| 211 | M | 83.9 | Confident | 82.9 | Confident | 41 Ų | 41 | 66 Ų | 66 | 20% | 0.202 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -95.2 | -32.5 | 171.6 | -76.7 | 172.6 | 52.2 | 0 | 0 | 111.9 | I155 L158 I159 R207 V208 | I155-M211 HydrophobicContact CG2-CE 4.24Å; L158-M211 HydrophobicContact CD2-CE 4.21Å; L158-M211 HydrophobicContact CD2-SD 3.63Å; I159-M211 HydrophobicContact CD1-CE 4.14Å; I159-M211 HydrophobicContact CG1-CE 3.78Å; R207-M211 HydrophobicContact CG-SD 3.85Å; R207-M211 VanDerWaalsContact CZ-SD 3.58Å; R207-M211 PolarHBondContact NE-SD 3.23Å; R207-M211 PolarHBondContact O-N 2.92Å; V208-M211 PolarHBondContact O-N 3.44Å |
| 212 | Y | 83.3 | Confident | 82.9 | Confident | 48 Ų | 48 | 68.7 Ų | 68.7 | 19% | 0.188 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -112.8 | -1.5 | -175.9 | -57.8 | -82.4 | 0 | 0 | 0 | 114.1 | I162 P174 I178 F179 V208 D214 | I162-Y212 HydrophobicContact CD1-CE2 3.71Å; P174-Y212 HydrophobicContact CB-CD1 3.69Å; P174-Y212 HydrophobicContact CB-CE1 3.54Å; P174-Y212 HydrophobicContact CB-CE2 4.41Å; P174-Y212 HydrophobicContact CB-CG 4.19Å; P174-Y212 HydrophobicContact CG-CD1 4.03Å; P174-Y212 HydrophobicContact CG-CE1 3.53Å; I178-Y212 HydrophobicContact CD1-CD2 3.31Å; I178-Y212 HydrophobicContact CD1-CE2 4Å; I178-Y212 HydrophobicContact CD1-CG 3.64Å; F179-Y212 WeakPolarHBondContact CE2-O 3.41Å; V208-Y212 HydrophobicContact CG1-CD2 4.21Å; V208-Y212 HydrophobicContact CG1-CE2 4.43Å; V208-Y212 WeakPolarHBondContact O-CD2 3.42Å; V208-Y212 PolarHBondContact O-N 3.16Å; Y212-D214 PolarHBondContact O-N 2.96Å |
| 213 | D | 79.3 | Confident | 82.9 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | trans | -79.9 | 93.2 | 168.9 | 174.2 | 12.4 | 0 | 0 | 0 | 109.7 | F179 L209 R215 N216 H217 S250 | F179-D213 HydrophobicContact CE1-CB 4.35Å; F179-D213 HydrophobicContact CZ-CB 3.83Å; L209-D213 WeakPolarHBondContact O-CB 3.33Å; L209-D213 PolarHBondContact O-N 2.93Å; D213-R215 PolarHBondContact O-N 2.67Å; D213-R215 WeakPolarHBondContact OD1-CA 3.46Å; D213-R215 WeakPolarHBondContact OD1-CB 3.33Å; D213-R215 PolarHBondContact OD1-N 2.99Å; D213-N216 HydrophobicContact CB-CB 4.09Å; D213-N216 WeakPolarHBondContact O-CB 3.21Å; D213-N216 PolarHBondContact O-N 3.42Å; D213-N216 PolarHBondContact OD1-N 3.08Å; D213-H217 PolarHBondContact O-CD2 3.19Å; D213-S250 WeakPolarHBondContact OD2-CB 3.36Å | ||
| 214 | D | 75.5 | Confident | 83 | Confident | 134 Ų | 134 | 74.9 Ų | 74.9 | 72% | 0.717 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -51.2 | -32.9 | 176 | -70.2 | -30.8 | 0 | 0 | 0 | 112.8 | Y212 N216 H217 | Y212-D214 PolarHBondContact O-N 2.96Å; D214-N216 PolarHBondContact O-N 3.5Å; D214-H217 PolarHBondContact O-N 3.2Å |
| 215 | R | 74.3 | Confident | 83 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -73.1 | -6.8 | -178.4 | -41.7 | 176.7 | 60.6 | 153.3 | 0.5 | 112.7 | D213 G244 A245 G248 S250 | D213-R215 PolarHBondContact O-N 2.67Å; D213-R215 WeakPolarHBondContact OD1-CA 3.46Å; D213-R215 WeakPolarHBondContact OD1-CB 3.33Å; D213-R215 PolarHBondContact OD1-N 2.99Å; R215-G244 PolarHBondContact NH2-O 3.48Å; R215-A245 VanDerWaalsContact NH2-CA 3.32Å; R215-A245 PolarHBondContact NH2-O 2.68Å; R215-G248 WeakPolarHBondContact CB-O 3.26Å; R215-G248 PolarHBondContact NE-O 2.72Å; R215-G248 VanDerWaalsContact NH2-CA 3.31Å; R215-G248 PolarHBondContact NH2-O 3.4Å; R215-S250 PolarHBondContact O-N 2.86Å |
| 216 | N | 72.4 | Confident | 83.1 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -80.1 | -23.8 | 167.9 | -170.7 | 52.6 | 0 | 0 | 0 | 112.1 | R210 D213 D214 | R210-N216 PolarHBondContact O-ND2 3.47Å; R210-N216 VanDerWaalsContact O-ND2 3.17Å; D213-N216 HydrophobicContact CB-CB 4.09Å; D213-N216 WeakPolarHBondContact O-CB 3.21Å; D213-N216 PolarHBondContact O-N 3.42Å; D213-N216 PolarHBondContact OD1-N 3.08Å; D214-N216 PolarHBondContact O-N 3.5Å |
| 217 | H | 68.8 | Low | 83.1 | Confident | 120 Ų | 120 | 75.6 Ų | 75.6 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | trans | -97.8 | 1.4 | -169.8 | -63.9 | -74 | 0 | 0 | 0 | 115.1 | R210 D213 D214 G219 | R210-H217 PolarHBondContact O-NE2 3.44Å; D213-H217 PolarHBondContact O-CD2 3.19Å; D214-H217 PolarHBondContact O-N 3.2Å; H217-G219 PolarHBondContact O-N 3.01Å | ||
| 218 | V | 76.1 | Confident | 83.2 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -61 | -2.3 | -179 | -168.9 | 0 | 0 | 0 | 0 | 114.2 | R249 | V218-R249 HydrophobicContact CB-CG 4.17Å; V218-R249 HydrophobicContact CG1-CG 4.19Å; V218-R249 HydrophobicContact CG2-CG 4.26Å |
| 219 | G | 79.9 | Confident | 83.3 | Confident | 52 Ų | 52 | 77.9 Ų | 77.9 | 54% | 0.536 | 39% | 0.386 | S | S | . | . | trans | 78.4 | -146.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | H217 R249 | H217-G219 PolarHBondContact O-N 3.01Å; G219-R249 PolarHBondContact O-NH1 3.3Å | ||
| 220 | K | 85 | Confident | 83.4 | Confident | 199 Ų | 199 | 80.7 Ų | 80.7 | 87% | 0.865 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -68.6 | 147.5 | -176.9 | -64.3 | 175.9 | -175.1 | 169.7 | 0 | 110.9 | R249 | K220-R249 PolarHBondContact O-NH2 3.45Š|
| 221 | Y | 86.5 | Confident | 83.8 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -77 | 132.9 | 170.5 | -81.1 | -98.8 | 0 | 0 | 0 | 111 | E225 L229 R249 S253 V254 R257 | Y221-E225 VanDerWaalsContact CA-OE2 3.28Å; Y221-E225 WeakPolarHBondContact CA-OE2 3.41Å; Y221-E225 HydrophobicContact CD1-CB 4.06Å; Y221-L229 HydrophobicContact CE1-CD2 4.49Å; Y221-R249 VanDerWaalsContact CE1-CD 3.42Å; Y221-R249 WeakPolarHBondContact OH-CD 3.32Å; Y221-S253 VanDerWaalsContact OH-C 3.23Å; Y221-S253 PolarHBondContact OH-O 3.28Å; Y221-S253 PolarHBondContact OH-OG 3.39Å; Y221-V254 WeakPolarHBondContact OH-CA 3.49Å; Y221-V254 WeakPolarHBondContact OH-CG2 3.4Å; Y221-V254 PolarHBondContact OH-N 3.01Å; Y221-R257 HydrophobicContact CD1-CG 3.97Å; Y221-R257 HydrophobicContact CD2-CB 4.23Å; Y221-R257 HydrophobicContact CD2-CG 3.82Å; Y221-R257 HydrophobicContact CE1-CB 4.27Å; Y221-R257 HydrophobicContact CE1-CG 3.92Å; Y221-R257 HydrophobicContact CE2-CB 3.7Å; Y221-R257 HydrophobicContact CE2-CG 3.78Å; Y221-R257 HydrophobicContact CG-CG 3.92Å |
| 222 | T | 87.1 | Confident | 84.2 | Confident | 56 Ų | 56 | 76.9 Ų | 76.9 | 34% | 0.344 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 160.4 | 171.8 | 84.5 | 0 | 0 | 0 | 0 | 111.1 | E224 E225 I226 | T222-E224 VanDerWaalsContact C-N 3.26Å; T222-E224 WeakPolarHBondContact CB-OE2 3.49Å; T222-E224 PolarHBondContact O-N 3.39Å; T222-E224 PolarHBondContact OG1-N 3.31Å; T222-E224 PolarHBondContact OG1-OE2 2.7Å; T222-E225 PolarHBondContact N-OE2 2.84Å; T222-E225 PolarHBondContact O-N 2.89Å; T222-E225 WeakPolarHBondContact OG1-CG 3.28Å; T222-E225 PolarHBondContact OG1-N 3.38Å; T222-I226 VanDerWaalsContact O-CD1 3.25Å; T222-I226 WeakPolarHBondContact O-CD1 3.42Å; T222-I226 WeakPolarHBondContact O-CG1 3.25Å; T222-I226 PolarHBondContact O-N 2.9Å |
| 223 | P | 86.1 | Confident | 84.6 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 59% | 0.591 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.3 | -32.7 | 176.9 | 23.1 | -30.5 | 0 | 0 | 0 | 113.2 | I226 E227 | P223-I226 WeakPolarHBondContact O-CB 3.43Å; P223-I226 PolarHBondContact O-N 3.41Å; P223-E227 PolarHBondContact O-N 2.84Å |
| 224 | E | 88.7 | Confident | 85.2 | Confident | 124 Ų | 124 | 87.5 Ų | 87.5 | 58% | 0.579 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.9 | -41.1 | 177.5 | -49.8 | 75.3 | -164.1 | 0 | 0 | 111.2 | T222 I226 E227 K228 | T222-E224 VanDerWaalsContact C-N 3.26Å; T222-E224 WeakPolarHBondContact CB-OE2 3.49Å; T222-E224 PolarHBondContact O-N 3.39Å; T222-E224 PolarHBondContact OG1-N 3.31Å; T222-E224 PolarHBondContact OG1-OE2 2.7Å; E224-I226 VanDerWaalsContact C-N 3.28Å; E224-I226 PolarHBondContact O-N 2.91Å; E224-E227 PolarHBondContact O-N 3.43Å; E224-K228 VanDerWaalsContact O-CB 3.29Å; E224-K228 WeakPolarHBondContact O-CB 3.39Å; E224-K228 PolarHBondContact O-N 2.96Å |
| 225 | E | 90.2 | Very high | 86 | Confident | 35 Ų | 35 | 88.9 Ų | 88.9 | 16% | 0.164 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 172.1 | -68.1 | 178.2 | 120.4 | 0 | 0 | 112.3 | Y221 T222 L229 R249 | Y221-E225 VanDerWaalsContact CA-OE2 3.28Å; Y221-E225 WeakPolarHBondContact CA-OE2 3.41Å; Y221-E225 HydrophobicContact CD1-CB 4.06Å; T222-E225 PolarHBondContact N-OE2 2.84Å; T222-E225 PolarHBondContact O-N 2.89Å; T222-E225 WeakPolarHBondContact OG1-CG 3.28Å; T222-E225 PolarHBondContact OG1-N 3.38Å; E225-L229 WeakPolarHBondContact O-CB 3.43Å; E225-L229 PolarHBondContact O-N 3.37Å; E225-R249 VanDerWaalsContact CD-NH2 3.25Å; E225-R249 IonicContact OE1-CZ 3.75Å; E225-R249 VanDerWaalsContact OE1-CZ 3.27Å; E225-R249 IonicContact OE1-NE 3.5Å; E225-R249 PolarHBondContact OE1-NE 3.5Å; E225-R249 IonicContact OE1-NH2 3.34Å; E225-R249 PolarHBondContact OE1-NH2 3.46Å; E225-R249 IonicContact OE2-CZ 2.76Å; E225-R249 IonicContact OE2-NE 3.38Å; E225-R249 PolarHBondContact OE2-NE 3.44Å; E225-R249 IonicContact OE2-NH2 2.69Å; E225-R249 PolarHBondContact OE2-NH2 2.87Å |
| 226 | I | 89.1 | Confident | 86.8 | Confident | 35 Ų | 35 | 87.3 Ų | 87.3 | 18% | 0.179 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 176.6 | -71.5 | 158.5 | 0 | 0 | 0 | 110.4 | T222 P223 E224 L229 K230 M261 | T222-I226 VanDerWaalsContact O-CD1 3.25Å; T222-I226 WeakPolarHBondContact O-CD1 3.42Å; T222-I226 WeakPolarHBondContact O-CG1 3.25Å; T222-I226 PolarHBondContact O-N 2.9Å; P223-I226 WeakPolarHBondContact O-CB 3.43Å; P223-I226 PolarHBondContact O-N 3.41Å; E224-I226 VanDerWaalsContact C-N 3.28Å; E224-I226 PolarHBondContact O-N 2.91Å; I226-L229 WeakPolarHBondContact O-CB 3.48Å; I226-L229 PolarHBondContact O-N 3.45Å; I226-K230 WeakPolarHBondContact O-CG 3.21Å; I226-K230 PolarHBondContact O-N 2.78Å; I226-K230 VanDerWaalsContact O-N 3.15Å; I226-M261 HydrophobicContact CG2-CE 3.76Å; I226-M261 HydrophobicContact CG2-SD 4.05Å |
| 227 | E | 89.6 | Confident | 87.6 | Confident | 138 Ų | 138 | 86.4 Ų | 86.4 | 65% | 0.645 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.8 | -48 | 174.6 | -177.2 | 168.6 | -148.6 | 0 | 0 | 111.7 | P223 E224 L229 K230 A231 | P223-E227 PolarHBondContact O-N 2.84Å; E224-E227 PolarHBondContact O-N 3.43Å; E227-L229 PolarHBondContact O-N 3.4Å; E227-K230 WeakPolarHBondContact O-CB 3.24Å; E227-K230 PolarHBondContact O-N 3.33Å; E227-A231 PolarHBondContact O-N 2.87Å; E227-A231 VanDerWaalsContact O-N 3.1Å |
| 228 | K | 91.5 | Very high | 88.7 | Confident | 110 Ų | 110 | 86 Ų | 86 | 48% | 0.478 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.9 | -36.4 | 175.2 | -169.5 | 175.7 | 178.6 | -166 | 0 | 111.8 | E224 L232 A246 L247 | E224-K228 VanDerWaalsContact O-CB 3.29Å; E224-K228 WeakPolarHBondContact O-CB 3.39Å; E224-K228 PolarHBondContact O-N 2.96Å; K228-L232 HydrophobicContact CG-CD1 3.94Å; K228-L232 HydrophobicContact CG-CG 4.39Å; K228-L232 VanDerWaalsContact O-CB 3.27Å; K228-L232 WeakPolarHBondContact O-CB 3.39Å; K228-L232 WeakPolarHBondContact O-CG 3.44Å; K228-L232 PolarHBondContact O-N 3.05Å; K228-A246 WeakPolarHBondContact CE-O 3.47Å; K228-A246 PolarHBondContact NZ-O 3.04Å; K228-L247 HydrophobicContact CB-CD2 3.96Å; K228-L247 HydrophobicContact CD-CD2 3.85Å; K228-L247 HydrophobicContact CG-CD2 3.81Å |
| 229 | L | 91.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 85.7 Ų | 85.7 | 1% | 0.005 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 171.7 | 172.7 | 52.7 | 0 | 0 | 0 | 112.4 | Y221 E225 I226 E227 R233 I243 L247 V254 R257 M261 | Y221-L229 HydrophobicContact CE1-CD2 4.49Å; E225-L229 WeakPolarHBondContact O-CB 3.43Å; E225-L229 PolarHBondContact O-N 3.37Å; I226-L229 WeakPolarHBondContact O-CB 3.48Å; I226-L229 PolarHBondContact O-N 3.45Å; E227-L229 PolarHBondContact O-N 3.4Å; L229-R233 WeakPolarHBondContact O-CB 3.42Å; L229-R233 PolarHBondContact O-N 3.28Å; L229-I243 HydrophobicContact CD1-CG2 3.66Å; L229-L247 HydrophobicContact CB-CD1 3.95Å; L229-L247 HydrophobicContact CD1-CD1 4.04Å; L229-L247 HydrophobicContact CG-CD1 4.46Å; L229-V254 HydrophobicContact CD1-CG1 3.56Å; L229-R257 HydrophobicContact CD2-CB 4.2Å; L229-R257 HydrophobicContact CD2-CG 3.74Å; L229-M261 HydrophobicContact CD2-CE 4.25Å; L229-M261 HydrophobicContact CD2-SD 3.77Å; L229-M261 HydrophobicContact CG-CE 4.37Å |
| 230 | K | 89.5 | Confident | 90 | Very high | 97 Ų | 97 | 85.3 Ų | 85.3 | 42% | 0.422 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.6 | -52.6 | 175.6 | -64.8 | 179.7 | -168.5 | -162.8 | 0 | 111.2 | I226 E227 L232 R233 E234 M261 E263 | I226-K230 WeakPolarHBondContact O-CG 3.21Å; I226-K230 PolarHBondContact O-N 2.78Å; I226-K230 VanDerWaalsContact O-N 3.15Å; E227-K230 WeakPolarHBondContact O-CB 3.24Å; E227-K230 PolarHBondContact O-N 3.33Å; K230-L232 PolarHBondContact O-N 3.43Å; K230-R233 WeakPolarHBondContact O-CB 3.38Å; K230-R233 PolarHBondContact O-N 2.68Å; K230-R233 VanDerWaalsContact O-N 3.16Å; K230-E234 PolarHBondContact O-N 2.69Å; K230-M261 HydrophobicContact CG-CE 3.89Å; K230-E263 WeakPolarHBondContact CD-OE1 3.33Å; K230-E263 WeakPolarHBondContact CE-OE1 3.38Å; K230-E263 IonicContact NZ-OE1 2.64Å; K230-E263 PolarHBondContact NZ-OE1 2.93Å |
| 231 | A | 92.2 | Very high | 90.3 | Very high | 58 Ų | 58 | 78.9 Ų | 78.9 | 48% | 0.479 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E227 E234 K235 | E227-A231 PolarHBondContact O-N 2.87Å; E227-A231 VanDerWaalsContact O-N 3.1Å; A231-E234 PolarHBondContact O-N 3.25Å; A231-K235 WeakPolarHBondContact O-CB 3.47Å; A231-K235 PolarHBondContact O-N 3.05Å; A231-K235 VanDerWaalsContact O-N 3.09Å |
| 232 | L | 92.6 | Very high | 90.5 | Very high | 25 Ų | 25 | 79.7 Ų | 79.7 | 13% | 0.131 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67 | -36 | 175.1 | -73.4 | 171.2 | 0 | 0 | 0 | 112.5 | K228 K230 K235 H236 I243 A246 L247 | K228-L232 HydrophobicContact CG-CD1 3.94Å; K228-L232 HydrophobicContact CG-CG 4.39Å; K228-L232 VanDerWaalsContact O-CB 3.27Å; K228-L232 WeakPolarHBondContact O-CB 3.39Å; K228-L232 WeakPolarHBondContact O-CG 3.44Å; K228-L232 PolarHBondContact O-N 3.05Å; K230-L232 PolarHBondContact O-N 3.43Å; L232-K235 PolarHBondContact O-N 2.93Å; L232-H236 WeakPolarHBondContact O-CB 3.28Å; L232-H236 PolarHBondContact O-CD2 3.33Å; L232-H236 PolarHBondContact O-N 3.2Å; L232-I243 HydrophobicContact CB-CB 4.49Å; L232-I243 HydrophobicContact CB-CG1 4.14Å; L232-I243 HydrophobicContact CB-CG2 3.88Å; L232-I243 HydrophobicContact CD1-CG2 4.22Å; L232-A246 HydrophobicContact CD1-CB 3.74Å; L232-A246 HydrophobicContact CD2-CB 4.11Å; L232-L247 HydrophobicContact CD1-CD2 4.02Å; L232-L247 HydrophobicContact CD1-CG 3.88Å |
| 233 | R | 90.7 | Very high | 90.7 | Very high | 126 Ų | 126 | 77 Ų | 77 | 48% | 0.475 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 174.7 | -173.5 | -152.8 | 176.8 | -143.4 | -5 | 112.1 | L229 K230 K235 G237 I243 C258 | L229-R233 WeakPolarHBondContact O-CB 3.42Å; L229-R233 PolarHBondContact O-N 3.28Å; K230-R233 WeakPolarHBondContact O-CB 3.38Å; K230-R233 PolarHBondContact O-N 2.68Å; K230-R233 VanDerWaalsContact O-N 3.16Å; R233-K235 VanDerWaalsContact C-N 3.32Å; R233-G237 VanDerWaalsContact CG-O 3.29Å; R233-G237 WeakPolarHBondContact CG-O 3.33Å; R233-G237 WeakPolarHBondContact O-CA 3.44Å; R233-G237 PolarHBondContact O-N 2.76Å; R233-I243 HydrophobicContact CB-CD1 4.42Å; R233-C258 VanDerWaalsContact CD-SG 3.56Å |
| 234 | E | 91.4 | Very high | 90.9 | Very high | 175 Ų | 175 | 72.7 Ų | 72.7 | 82% | 0.818 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 174.7 | -173.8 | 168.4 | -155.4 | 0 | 0 | 111.2 | K230 A231 | K230-E234 PolarHBondContact O-N 2.69Å; A231-E234 PolarHBondContact O-N 3.25Å |
| 235 | K | 93.5 | Very high | 91 | Very high | 162 Ų | 162 | 69.7 Ų | 69.7 | 70% | 0.704 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -78 | -38.5 | 179.3 | -176.2 | -179.5 | 172.3 | -171.9 | 0 | 115 | A231 L232 R233 | A231-K235 WeakPolarHBondContact O-CB 3.47Å; A231-K235 PolarHBondContact O-N 3.05Å; A231-K235 VanDerWaalsContact O-N 3.09Å; L232-K235 PolarHBondContact O-N 2.93Å; R233-K235 VanDerWaalsContact C-N 3.32Å |
| 236 | H | 90.1 | Very high | 91 | Very high | 66 Ų | 66 | 70 Ų | 70 | 31% | 0.306 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -114.9 | 5.1 | -172 | -62.8 | -92.2 | 0 | 0 | 0 | 113.8 | L232 N238 D239 I243 | L232-H236 WeakPolarHBondContact O-CB 3.28Å; L232-H236 PolarHBondContact O-CD2 3.33Å; L232-H236 PolarHBondContact O-N 3.2Å; H236-N238 PolarHBondContact O-N 2.97Å; H236-D239 PolarHBondContact O-N 3.09Å; H236-I243 HydrophobicContact CB-CD1 4.3Å; H236-I243 HydrophobicContact CB-CG1 4.04Å |
| 237 | G | 89.9 | Confident | 91 | Very high | 33 Ų | 33 | 69 Ų | 69 | 34% | 0.34 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -118.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R233 | R233-G237 VanDerWaalsContact CG-O 3.29Å; R233-G237 WeakPolarHBondContact CG-O 3.33Å; R233-G237 WeakPolarHBondContact O-CA 3.44Å; R233-G237 PolarHBondContact O-N 2.76Å |
| 238 | N | 91.4 | Very high | 90.9 | Very high | 112 Ų | 112 | 64.4 Ų | 64.4 | 60% | 0.599 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 19.6 | -179.1 | -65.3 | -41.7 | 0 | 0 | 0 | 112.9 | H236 W240 | H236-N238 PolarHBondContact O-N 2.97Å; N238-W240 VanDerWaalsContact C-N 3.29Å; N238-W240 HydrophobicContact CB-CZ2 3.86Å; N238-W240 PolarHBondContact O-N 2.93Å; N238-W240 PolarHBondContact O-NE1 2.87Å; N238-W240 VanDerWaalsContact O-NE1 3.09Å; N238-W240 VanDerWaalsContact OD1-CZ2 3.31Å; N238-W240 WeakPolarHBondContact OD1-CZ2 3.25Å |
| 239 | D | 92.1 | Very high | 90.8 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | trans | -75.4 | 81.3 | 172.6 | -177.8 | 0.4 | 0 | 0 | 0 | 111.2 | H236 A241 T242 I243 | H236-D239 PolarHBondContact O-N 3.09Å; D239-A241 PolarHBondContact O-N 2.68Å; D239-A241 WeakPolarHBondContact OD1-CB 3.05Å; D239-A241 PolarHBondContact OD1-N 2.82Å; D239-T242 PolarHBondContact O-N 3Å; D239-T242 PolarHBondContact OD1-N 3.41Å; D239-T242 WeakPolarHBondContact OD2-CB 3.29Å; D239-T242 PolarHBondContact OD2-OG1 3.08Å; D239-I243 WeakPolarHBondContact O-CB 3.32Å; D239-I243 WeakPolarHBondContact O-CD1 3.28Å; D239-I243 WeakPolarHBondContact O-CG1 3.42Å; D239-I243 PolarHBondContact O-N 2.83Å | ||
| 240 | W | 92.1 | Very high | 90.6 | Very high | 43 Ų | 43 | 59.7 Ų | 59.7 | 16% | 0.163 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -18.8 | 178.6 | -46.8 | 112 | 0 | 0 | 0 | 113.6 | N238 I243 G244 A251 V254 K255 C258 | N238-W240 VanDerWaalsContact C-N 3.29Å; N238-W240 HydrophobicContact CB-CZ2 3.86Å; N238-W240 PolarHBondContact O-N 2.93Å; N238-W240 PolarHBondContact O-NE1 2.87Å; N238-W240 VanDerWaalsContact O-NE1 3.09Å; N238-W240 VanDerWaalsContact OD1-CZ2 3.31Å; N238-W240 WeakPolarHBondContact OD1-CZ2 3.25Å; W240-I243 HydrophobicContact CE3-CD1 4.21Å; W240-I243 HydrophobicContact CZ3-CD1 4.3Å; W240-G244 WeakPolarHBondContact O-CA 3.46Å; W240-G244 PolarHBondContact O-N 3.38Å; W240-A251 HydrophobicContact CB-CB 4.06Å; W240-A251 WeakPolarHBondContact O-CA 3.34Å; W240-A251 WeakPolarHBondContact O-CB 3.34Å; W240-V254 HydrophobicContact CE3-CG1 3.85Å; W240-V254 HydrophobicContact CZ3-CG1 4.38Å; W240-K255 HydrophobicContact CB-CB 4.34Å; W240-K255 HydrophobicContact CD2-CB 3.75Å; W240-K255 HydrophobicContact CD2-CG 4.07Å; W240-K255 HydrophobicContact CE3-CB 4.31Å; W240-K255 HydrophobicContact CG-CB 3.73Å; W240-K255 HydrophobicContact CG-CD 4.3Å; W240-K255 HydrophobicContact CG-CG 4.14Å; W240-K255 HydrophobicContact CZ2-CG 4.39Å; W240-C258 HydrophobicContact CH2-CB 3.72Å; W240-C258 VanDerWaalsContact CH2-SG 3.58Å; W240-C258 HydrophobicContact CZ3-CB 3.64Å |
| 241 | A | 89.9 | Confident | 90.5 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 54% | 0.537 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -74.7 | -52.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | D239 G244 A245 | D239-A241 PolarHBondContact O-N 2.68Å; D239-A241 WeakPolarHBondContact OD1-CB 3.05Å; D239-A241 PolarHBondContact OD1-N 2.82Å; A241-G244 PolarHBondContact O-N 2.84Å; A241-A245 WeakPolarHBondContact O-CB 3.39Å; A241-A245 PolarHBondContact O-N 3.37Å |
| 242 | T | 90.9 | Very high | 90.2 | Very high | 56 Ų | 56 | 57.8 Ų | 57.8 | 34% | 0.344 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 176 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | D239 A245 A246 | D239-T242 PolarHBondContact O-N 3Å; D239-T242 PolarHBondContact OD1-N 3.41Å; D239-T242 WeakPolarHBondContact OD2-CB 3.29Å; D239-T242 PolarHBondContact OD2-OG1 3.08Å; T242-A245 WeakPolarHBondContact O-CB 3.26Å; T242-A245 PolarHBondContact O-N 3.23Å; T242-A246 PolarHBondContact O-N 2.91Å |
| 243 | I | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 176.8 | -58.3 | 165.4 | 0 | 0 | 0 | 110.5 | L229 L232 R233 H236 D239 W240 L247 V254 | L229-I243 HydrophobicContact CD1-CG2 3.66Å; L232-I243 HydrophobicContact CB-CB 4.49Å; L232-I243 HydrophobicContact CB-CG1 4.14Å; L232-I243 HydrophobicContact CB-CG2 3.88Å; L232-I243 HydrophobicContact CD1-CG2 4.22Å; R233-I243 HydrophobicContact CB-CD1 4.42Å; H236-I243 HydrophobicContact CB-CD1 4.3Å; H236-I243 HydrophobicContact CB-CG1 4.04Å; D239-I243 WeakPolarHBondContact O-CB 3.32Å; D239-I243 WeakPolarHBondContact O-CD1 3.28Å; D239-I243 WeakPolarHBondContact O-CG1 3.42Å; D239-I243 PolarHBondContact O-N 2.83Å; W240-I243 HydrophobicContact CE3-CD1 4.21Å; W240-I243 HydrophobicContact CZ3-CD1 4.3Å; I243-L247 HydrophobicContact CG2-CD1 3.85Å; I243-L247 HydrophobicContact CG2-CG 4.5Å; I243-L247 WeakPolarHBondContact O-CB 2.98Å; I243-L247 VanDerWaalsContact O-CG 3.29Å; I243-L247 WeakPolarHBondContact O-CG 3.39Å; I243-L247 PolarHBondContact O-N 2.7Å; I243-L247 VanDerWaalsContact O-N 3.14Å; I243-V254 HydrophobicContact CB-CG1 4.17Å; I243-V254 HydrophobicContact CG2-CG1 3.58Å |
| 244 | G | 90.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -49.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R215 W240 A241 A246 L247 G248 R249 | R215-G244 PolarHBondContact NH2-O 3.48Å; W240-G244 WeakPolarHBondContact O-CA 3.46Å; W240-G244 PolarHBondContact O-N 3.38Å; A241-G244 PolarHBondContact O-N 2.84Å; G244-A246 PolarHBondContact O-N 3.49Å; G244-L247 PolarHBondContact O-N 3.19Å; G244-L247 VanDerWaalsContact O-N 3.12Å; G244-G248 PolarHBondContact O-N 3.07Å; G244-G248 VanDerWaalsContact O-N 3.12Å; G244-R249 CarbonylContact C-O 3.56Å; G244-R249 VanDerWaalsContact C-O 3.28Å; G244-R249 VanDerWaalsContact CA-O 3.29Å; G244-R249 WeakPolarHBondContact CA-O 3.24Å; G244-R249 PolarHBondContact O-N 3.34Å |
| 245 | A | 90.4 | Very high | 89.8 | Confident | 60 Ų | 60 | 49 Ų | 49 | 50% | 0.496 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -49.5 | -55.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R215 A241 T242 L247 G248 | R215-A245 VanDerWaalsContact NH2-CA 3.32Å; R215-A245 PolarHBondContact NH2-O 2.68Å; A241-A245 WeakPolarHBondContact O-CB 3.39Å; A241-A245 PolarHBondContact O-N 3.37Å; T242-A245 WeakPolarHBondContact O-CB 3.26Å; T242-A245 PolarHBondContact O-N 3.23Å; A245-L247 VanDerWaalsContact C-N 3.28Å; A245-L247 PolarHBondContact O-N 3.23Å; A245-G248 PolarHBondContact O-N 3Å |
| 246 | A | 90.3 | Very high | 89.4 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 34% | 0.339 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.9 | -13.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | K228 L232 T242 G244 | K228-A246 WeakPolarHBondContact CE-O 3.47Å; K228-A246 PolarHBondContact NZ-O 3.04Å; L232-A246 HydrophobicContact CD1-CB 3.74Å; L232-A246 HydrophobicContact CD2-CB 4.11Å; T242-A246 PolarHBondContact O-N 2.91Å; G244-A246 PolarHBondContact O-N 3.49Å |
| 247 | L | 88.9 | Confident | 89.2 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -101.7 | -0.9 | 174.8 | -70.9 | 175 | 0 | 0 | 0 | 113.6 | K228 L229 L232 I243 G244 A245 R249 V254 | K228-L247 HydrophobicContact CB-CD2 3.96Å; K228-L247 HydrophobicContact CD-CD2 3.85Å; K228-L247 HydrophobicContact CG-CD2 3.81Å; L229-L247 HydrophobicContact CB-CD1 3.95Å; L229-L247 HydrophobicContact CD1-CD1 4.04Å; L229-L247 HydrophobicContact CG-CD1 4.46Å; L232-L247 HydrophobicContact CD1-CD2 4.02Å; L232-L247 HydrophobicContact CD1-CG 3.88Å; I243-L247 HydrophobicContact CG2-CD1 3.85Å; I243-L247 HydrophobicContact CG2-CG 4.5Å; I243-L247 WeakPolarHBondContact O-CB 2.98Å; I243-L247 VanDerWaalsContact O-CG 3.29Å; I243-L247 WeakPolarHBondContact O-CG 3.39Å; I243-L247 PolarHBondContact O-N 2.7Å; I243-L247 VanDerWaalsContact O-N 3.14Å; G244-L247 PolarHBondContact O-N 3.19Å; G244-L247 VanDerWaalsContact O-N 3.12Å; A245-L247 VanDerWaalsContact C-N 3.28Å; A245-L247 PolarHBondContact O-N 3.23Å; L247-R249 PolarHBondContact O-N 3.22Å; L247-V254 HydrophobicContact CD1-CG1 4.26Å; L247-V254 HydrophobicContact CD1-CG2 3.89Å |
| 248 | G | 87.8 | Confident | 88.9 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | -9.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R215 G244 A245 | R215-G248 WeakPolarHBondContact CB-O 3.26Å; R215-G248 PolarHBondContact NE-O 2.72Å; R215-G248 VanDerWaalsContact NH2-CA 3.31Å; R215-G248 PolarHBondContact NH2-O 3.4Å; G244-G248 PolarHBondContact O-N 3.07Å; G244-G248 VanDerWaalsContact O-N 3.12Å; A245-G248 PolarHBondContact O-N 3Å |
| 249 | R | 88.3 | Confident | 88.5 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -99.6 | 164.1 | -174.1 | -67.7 | 179.4 | -179.9 | -102.5 | 0.9 | 113.6 | V218 G219 K220 Y221 E225 G244 L247 V254 | V218-R249 HydrophobicContact CB-CG 4.17Å; V218-R249 HydrophobicContact CG1-CG 4.19Å; V218-R249 HydrophobicContact CG2-CG 4.26Å; G219-R249 PolarHBondContact O-NH1 3.3Å; K220-R249 PolarHBondContact O-NH2 3.45Å; Y221-R249 VanDerWaalsContact CE1-CD 3.42Å; Y221-R249 WeakPolarHBondContact OH-CD 3.32Å; E225-R249 VanDerWaalsContact CD-NH2 3.25Å; E225-R249 IonicContact OE1-CZ 3.75Å; E225-R249 VanDerWaalsContact OE1-CZ 3.27Å; E225-R249 IonicContact OE1-NE 3.5Å; E225-R249 PolarHBondContact OE1-NE 3.5Å; E225-R249 IonicContact OE1-NH2 3.34Å; E225-R249 PolarHBondContact OE1-NH2 3.46Å; E225-R249 IonicContact OE2-CZ 2.76Å; E225-R249 IonicContact OE2-NE 3.38Å; E225-R249 PolarHBondContact OE2-NE 3.44Å; E225-R249 IonicContact OE2-NH2 2.69Å; E225-R249 PolarHBondContact OE2-NH2 2.87Å; G244-R249 CarbonylContact C-O 3.56Å; G244-R249 VanDerWaalsContact C-O 3.28Å; G244-R249 VanDerWaalsContact CA-O 3.29Å; G244-R249 WeakPolarHBondContact CA-O 3.24Å; G244-R249 PolarHBondContact O-N 3.34Å; L247-R249 PolarHBondContact O-N 3.22Å; R249-V254 HydrophobicContact CB-CG2 4.19Å |
| 250 | S | 87.2 | Confident | 87.6 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | trans | -68 | 142.7 | 176.7 | 77.1 | 0 | 0 | 0 | 0 | 112.7 | D213 R215 S252 S253 V254 | D213-S250 WeakPolarHBondContact OD2-CB 3.36Å; R215-S250 PolarHBondContact O-N 2.86Å; S250-S252 PolarHBondContact O-N 3.16Å; S250-S253 WeakPolarHBondContact O-CB 3.48Å; S250-S253 PolarHBondContact O-N 3.4Å; S250-S253 VanDerWaalsContact OG-CB 3.31Å; S250-S253 WeakPolarHBondContact OG-CB 3.25Å; S250-S253 PolarHBondContact OG-N 3.24Å; S250-V254 WeakPolarHBondContact O-CG2 3.43Å; S250-V254 PolarHBondContact O-N 3.32Å | ||
| 251 | A | 88.6 | Confident | 86.6 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 31% | 0.314 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.6 | -34.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W240 K255 | W240-A251 HydrophobicContact CB-CB 4.06Å; W240-A251 WeakPolarHBondContact O-CA 3.34Å; W240-A251 WeakPolarHBondContact O-CB 3.34Å; A251-K255 WeakPolarHBondContact O-CB 3.45Å; A251-K255 PolarHBondContact O-N 3.3Å |
| 252 | S | 84.8 | Confident | 85.4 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 53% | 0.531 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 175.5 | -63.2 | 0 | 0 | 0 | 0 | 112 | S250 V254 K255 D256 | S250-S252 PolarHBondContact O-N 3.16Å; S252-V254 VanDerWaalsContact C-N 3.35Å; S252-V254 PolarHBondContact O-N 2.77Å; S252-K255 PolarHBondContact O-N 3.41Å; S252-D256 PolarHBondContact O-N 3.23Å |
| 253 | S | 87.6 | Confident | 83.7 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 177.4 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | Y221 S250 D256 R257 | Y221-S253 VanDerWaalsContact OH-C 3.23Å; Y221-S253 PolarHBondContact OH-O 3.28Å; Y221-S253 PolarHBondContact OH-OG 3.39Å; S250-S253 WeakPolarHBondContact O-CB 3.48Å; S250-S253 PolarHBondContact O-N 3.4Å; S250-S253 VanDerWaalsContact OG-CB 3.31Å; S250-S253 WeakPolarHBondContact OG-CB 3.25Å; S250-S253 PolarHBondContact OG-N 3.24Å; S253-D256 PolarHBondContact O-N 2.89Å; S253-R257 VanDerWaalsContact O-CB 3.25Å; S253-R257 WeakPolarHBondContact O-CB 3.42Å; S253-R257 PolarHBondContact O-N 2.9Å |
| 254 | V | 89.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 177 | 174.8 | 0 | 0 | 0 | 0 | 112 | Y221 L229 W240 I243 L247 R249 S250 S252 R257 C258 | Y221-V254 WeakPolarHBondContact OH-CA 3.49Å; Y221-V254 WeakPolarHBondContact OH-CG2 3.4Å; Y221-V254 PolarHBondContact OH-N 3.01Å; L229-V254 HydrophobicContact CD1-CG1 3.56Å; W240-V254 HydrophobicContact CE3-CG1 3.85Å; W240-V254 HydrophobicContact CZ3-CG1 4.38Å; I243-V254 HydrophobicContact CB-CG1 4.17Å; I243-V254 HydrophobicContact CG2-CG1 3.58Å; L247-V254 HydrophobicContact CD1-CG1 4.26Å; L247-V254 HydrophobicContact CD1-CG2 3.89Å; R249-V254 HydrophobicContact CB-CG2 4.19Å; S250-V254 WeakPolarHBondContact O-CG2 3.43Å; S250-V254 PolarHBondContact O-N 3.32Å; S252-V254 VanDerWaalsContact C-N 3.35Å; S252-V254 PolarHBondContact O-N 2.77Å; V254-R257 PolarHBondContact O-N 3.22Å; V254-C258 WeakPolarHBondContact O-CB 3.34Å; V254-C258 PolarHBondContact O-N 3.48Å |
| 255 | K | 88.8 | Confident | 81.3 | Confident | 115 Ų | 115 | 58.8 Ų | 58.8 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.5 | -47.5 | 177 | -178.6 | 176.5 | -177.6 | 174.3 | 0 | 112 | W240 A251 S252 C258 R259 | W240-K255 HydrophobicContact CB-CB 4.34Å; W240-K255 HydrophobicContact CD2-CB 3.75Å; W240-K255 HydrophobicContact CD2-CG 4.07Å; W240-K255 HydrophobicContact CE3-CB 4.31Å; W240-K255 HydrophobicContact CG-CB 3.73Å; W240-K255 HydrophobicContact CG-CD 4.3Å; W240-K255 HydrophobicContact CG-CG 4.14Å; W240-K255 HydrophobicContact CZ2-CG 4.39Å; A251-K255 WeakPolarHBondContact O-CB 3.45Å; A251-K255 PolarHBondContact O-N 3.3Å; S252-K255 PolarHBondContact O-N 3.41Å; K255-C258 PolarHBondContact O-N 2.67Å; K255-R259 PolarHBondContact O-N 3.37Å |
| 256 | D | 85.4 | Confident | 80.8 | Confident | 72 Ų | 72 | 59.5 Ų | 59.5 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 178.5 | -88.1 | -20.3 | 0 | 0 | 0 | 112.1 | S252 S253 R259 L260 | S252-D256 PolarHBondContact O-N 3.23Å; S253-D256 PolarHBondContact O-N 2.89Å; D256-R259 PolarHBondContact O-N 3.13Å; D256-R259 IonicContact OD1-CZ 3.66Å; D256-R259 IonicContact OD1-NE 2.59Å; D256-R259 IonicContact OD1-NH1 2.68Å; D256-R259 PolarHBondContact OD1-NH1 2.83Å; D256-R259 VanDerWaalsContact OD1-NH1 3.15Å; D256-R259 IonicContact OD1-NH2 2.7Å; D256-R259 PolarHBondContact OD1-NH2 3.17Å; D256-R259 IonicContact OD2-NH2 3.47Å; D256-L260 VanDerWaalsContact O-CG 3.32Å; D256-L260 WeakPolarHBondContact O-CG 3Å; D256-L260 PolarHBondContact O-N 2.76Å |
| 257 | R | 86.3 | Confident | 80.2 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 174.6 | -178.8 | 60.9 | -173.9 | 147.6 | 2.6 | 111.3 | Y221 L229 S253 V254 L260 M261 | Y221-R257 HydrophobicContact CD1-CG 3.97Å; Y221-R257 HydrophobicContact CD2-CB 4.23Å; Y221-R257 HydrophobicContact CD2-CG 3.82Å; Y221-R257 HydrophobicContact CE1-CB 4.27Å; Y221-R257 HydrophobicContact CE1-CG 3.92Å; Y221-R257 HydrophobicContact CE2-CB 3.7Å; Y221-R257 HydrophobicContact CE2-CG 3.78Å; Y221-R257 HydrophobicContact CG-CG 3.92Å; L229-R257 HydrophobicContact CD2-CB 4.2Å; L229-R257 HydrophobicContact CD2-CG 3.74Å; S253-R257 VanDerWaalsContact O-CB 3.25Å; S253-R257 WeakPolarHBondContact O-CB 3.42Å; S253-R257 PolarHBondContact O-N 2.9Å; V254-R257 PolarHBondContact O-N 3.22Å; R257-L260 PolarHBondContact O-N 3.17Å; R257-M261 HydrophobicContact CG-SD 3.82Å; R257-M261 WeakPolarHBondContact O-CG 3.46Å; R257-M261 PolarHBondContact O-N 3.18Å; R257-M261 VanDerWaalsContact O-N 3.14Å |
| 258 | C | 84.4 | Confident | 80 | Confident | 16 Ų | 16 | 66 Ų | 66 | 11% | 0.108 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 177.9 | -176 | 0 | 0 | 0 | 0 | 112.2 | R233 W240 V254 K255 L260 M261 | R233-C258 VanDerWaalsContact CD-SG 3.56Å; W240-C258 HydrophobicContact CH2-CB 3.72Å; W240-C258 VanDerWaalsContact CH2-SG 3.58Å; W240-C258 HydrophobicContact CZ3-CB 3.64Å; V254-C258 WeakPolarHBondContact O-CB 3.34Å; V254-C258 PolarHBondContact O-N 3.48Å; K255-C258 PolarHBondContact O-N 2.67Å; C258-L260 PolarHBondContact O-N 3.45Å; C258-M261 PolarHBondContact O-N 3.47Å |
| 259 | R | 81.1 | Confident | 80 | Confident | 161 Ų | 161 | 73.5 Ų | 73.5 | 61% | 0.608 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -57.3 | -34.4 | 175 | -175.5 | -173.7 | 62.9 | -152.2 | -9.1 | 112.6 | K255 D256 | K255-R259 PolarHBondContact O-N 3.37Å; D256-R259 PolarHBondContact O-N 3.13Å; D256-R259 IonicContact OD1-CZ 3.66Å; D256-R259 IonicContact OD1-NE 2.59Å; D256-R259 IonicContact OD1-NH1 2.68Å; D256-R259 PolarHBondContact OD1-NH1 2.83Å; D256-R259 VanDerWaalsContact OD1-NH1 3.15Å; D256-R259 IonicContact OD1-NH2 2.7Å; D256-R259 PolarHBondContact OD1-NH2 3.17Å; D256-R259 IonicContact OD2-NH2 3.47Å |
| 260 | L | 74.8 | Confident | 80.2 | Confident | 86 Ų | 86 | 75.6 Ų | 75.6 | 45% | 0.45 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -83.3 | -10.3 | 178.7 | -66.8 | 171.4 | 0 | 0 | 0 | 113.6 | D256 R257 C258 K262 | D256-L260 VanDerWaalsContact O-CG 3.32Å; D256-L260 WeakPolarHBondContact O-CG 3Å; D256-L260 PolarHBondContact O-N 2.76Å; R257-L260 PolarHBondContact O-N 3.17Å; C258-L260 PolarHBondContact O-N 3.45Å; L260-K262 VanDerWaalsContact C-N 3.34Å; L260-K262 PolarHBondContact O-N 3.19Å |
| 261 | M | 71.1 | Confident | 80.5 | Confident | 37 Ų | 37 | 77.6 Ų | 77.6 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | trans | -89.8 | 59.3 | 176.2 | -75.1 | 167.4 | 47.1 | 0 | 0 | 111.7 | I226 L229 K230 R257 C258 E263 | I226-M261 HydrophobicContact CG2-CE 3.76Å; I226-M261 HydrophobicContact CG2-SD 4.05Å; L229-M261 HydrophobicContact CD2-CE 4.25Å; L229-M261 HydrophobicContact CD2-SD 3.77Å; L229-M261 HydrophobicContact CG-CE 4.37Å; K230-M261 HydrophobicContact CG-CE 3.89Å; R257-M261 HydrophobicContact CG-SD 3.82Å; R257-M261 WeakPolarHBondContact O-CG 3.46Å; R257-M261 PolarHBondContact O-N 3.18Å; R257-M261 VanDerWaalsContact O-N 3.14Å; C258-M261 PolarHBondContact O-N 3.47Å; M261-E263 PolarHBondContact O-N 3.16Å | ||
| 262 | K | 64.8 | Low | 80.7 | Confident | 89 Ų | 89 | 83.4 Ų | 83.4 | 39% | 0.387 | 43% | 0.433 | S | S | . | . | trans | -75.2 | 104.8 | 160.9 | -80.1 | -167.8 | 175 | -179.3 | 0 | 108.3 | L260 T264 C265 D305 | L260-K262 VanDerWaalsContact C-N 3.34Å; L260-K262 PolarHBondContact O-N 3.19Å; K262-T264 PolarHBondContact O-N 3.09Å; K262-C265 VanDerWaalsContact CB-SG 3.51Å; K262-C265 WeakPolarHBondContact O-CB 3.03Å; K262-C265 PolarHBondContact O-N 3.37Å; K262-D305 IonicContact NZ-OD1 2.68Å; K262-D305 PolarHBondContact NZ-OD1 2.94Å; K262-D305 IonicContact NZ-OD2 3.47Å | ||
| 263 | E | 54.9 | Low | 81 | Confident | 141 Ų | 141 | 85.5 Ų | 85.5 | 66% | 0.659 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22 | -170.6 | -55.2 | -171.4 | 116.8 | 0 | 0 | 114.1 | K230 M261 C265 | K230-E263 WeakPolarHBondContact CD-OE1 3.33Å; K230-E263 WeakPolarHBondContact CE-OE1 3.38Å; K230-E263 IonicContact NZ-OE1 2.64Å; K230-E263 PolarHBondContact NZ-OE1 2.93Å; M261-E263 PolarHBondContact O-N 3.16Å; E263-C265 VanDerWaalsContact C-N 3.25Å; E263-C265 PolarHBondContact O-N 2.79Å |
| 264 | T | 57.6 | Low | 81.2 | Confident | 105 Ų | 105 | 84.5 Ų | 84.5 | 64% | 0.644 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 2.8 | 178.6 | 61.6 | 0 | 0 | 0 | 0 | 114.3 | K262 | K262-T264 PolarHBondContact O-N 3.09Š|
| 265 | C | 74.9 | Confident | 81.4 | Confident | 25 Ų | 25 | 85.7 Ų | 85.7 | 17% | 0.169 | 43% | 0.432 | C | S | . | . | trans | -91.9 | 112.4 | -171.8 | -68.2 | 0 | 0 | 0 | 0 | 112.6 | K262 E263 T267 T309 R310 S311 | K262-C265 VanDerWaalsContact CB-SG 3.51Å; K262-C265 WeakPolarHBondContact O-CB 3.03Å; K262-C265 PolarHBondContact O-N 3.37Å; E263-C265 VanDerWaalsContact C-N 3.25Å; E263-C265 PolarHBondContact O-N 2.79Å; C265-T267 PolarHBondContact O-N 3.12Å; C265-T309 CarbonylContact C-O 3.55Å; C265-T309 WeakPolarHBondContact CA-O 3.49Å; C265-R310 VanDerWaalsContact SG-C 3.59Å; C265-S311 PolarHBondContact SG-N 3.17Å | ||
| 266 | N | 80.1 | Confident | 81.5 | Confident | 76 Ų | 76 | 82 Ų | 82 | 41% | 0.406 | 43% | 0.427 | S | S | . | . | trans | -54.7 | 134.5 | 175.1 | -71.4 | -15.6 | 0 | 0 | 0 | 111.8 | E274 T309 R310 Q314 | N266-E274 PolarHBondContact ND2-OE1 3.09Å; N266-T309 WeakPolarHBondContact CB-O 3.16Å; N266-T309 PolarHBondContact N-O 3.17Å; N266-R310 WeakPolarHBondContact O-CD 3.32Å; N266-R310 PolarHBondContact O-NH1 3.1Å; N266-Q314 PolarHBondContact O-NE2 3.31Å | ||
| 267 | T | 77.9 | Confident | 81.9 | Confident | 130 Ų | 130 | 82.8 Ų | 82.8 | 80% | 0.798 | 42% | 0.424 | S | S | * | . | trans | -99.6 | 162.6 | 167.3 | 55.3 | 0 | 0 | 0 | 0 | 110.2 | C265 | C265-T267 PolarHBondContact O-N 3.12Š| ||
| 268 | G | 83.3 | Confident | 82.3 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 65% | 0.649 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 85.4 | -165.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | R310 | G268-R310 PolarHBondContact O-NH1 3.04Š|
| 269 | K | 89.3 | Confident | 82.7 | Confident | 199 Ų | 199 | 78.7 Ų | 78.7 | 87% | 0.865 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 149.3 | -174.5 | -64.6 | -178.6 | -179.6 | 179.3 | 0 | 111.9 | R310 | K269-R310 PolarHBondContact O-NH2 3.3Š|
| 270 | W | 92.4 | Very high | 83.3 | Confident | 51 Ų | 51 | 77.2 Ų | 77.2 | 19% | 0.193 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 142 | 171.4 | -72.5 | 64.6 | 0 | 0 | 0 | 109.8 | E274 E275 L278 R310 Q314 K318 | W270-E274 WeakPolarHBondContact CA-OE2 3.36Å; W270-E274 HydrophobicContact CE3-CB 3.68Å; W270-E274 HydrophobicContact CZ3-CB 4.18Å; W270-E275 HydrophobicContact CB-CG 4.17Å; W270-L278 HydrophobicContact CE3-CD2 4.44Å; W270-L278 HydrophobicContact CH2-CD2 3.57Å; W270-L278 HydrophobicContact CZ2-CD2 4.48Å; W270-L278 HydrophobicContact CZ3-CB 4.13Å; W270-L278 HydrophobicContact CZ3-CD2 3.54Å; W270-L278 HydrophobicContact CZ3-CG 4.44Å; W270-R310 HydrophobicContact CE3-CG 4.48Å; W270-R310 HydrophobicContact CH2-CB 3.86Å; W270-R310 HydrophobicContact CH2-CG 3.61Å; W270-R310 HydrophobicContact CZ2-CB 4.17Å; W270-R310 HydrophobicContact CZ2-CG 3.82Å; W270-R310 HydrophobicContact CZ3-CG 3.97Å; W270-Q314 HydrophobicContact CZ2-CB 4.1Å; W270-K318 HydrophobicContact CD2-CB 4.35Å; W270-K318 HydrophobicContact CD2-CD 4.04Å; W270-K318 HydrophobicContact CD2-CG 3.73Å; W270-K318 HydrophobicContact CE3-CG 4Å; W270-K318 HydrophobicContact CG-CD 4.07Å; W270-K318 HydrophobicContact CG-CG 4.31Å; W270-K318 HydrophobicContact CH2-CB 3.95Å; W270-K318 HydrophobicContact CH2-CG 4.07Å; W270-K318 HydrophobicContact CZ2-CB 3.45Å; W270-K318 VanDerWaalsContact CZ2-CB 3.45Å; W270-K318 HydrophobicContact CZ2-CG 3.76Å; W270-K318 HydrophobicContact CZ3-CG 4.17Å |
| 271 | S | 92.6 | Very high | 84.2 | Confident | 46 Ų | 46 | 73.6 Ų | 73.6 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 162.7 | 167.3 | 82.7 | 0 | 0 | 0 | 0 | 111.2 | E273 E274 E275 | S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 WeakPolarHBondContact CB-OE2 3.19Å; S271-E273 PolarHBondContact O-N 2.9Å; S271-E273 PolarHBondContact OG-OE2 3.25Å; S271-E274 PolarHBondContact N-OE2 3.37Å; S271-E274 WeakPolarHBondContact O-CB 3.36Å; S271-E274 PolarHBondContact O-N 3.03Å; S271-E274 VanDerWaalsContact O-N 3.15Å; S271-E274 PolarHBondContact OG-N 2.89Å; S271-E275 PolarHBondContact O-N 3.49Å |
| 272 | E | 92 | Very high | 85.2 | Confident | 161 Ų | 161 | 71.9 Ų | 71.9 | 75% | 0.752 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.9 | -30.7 | -178.8 | -59.9 | -164 | 152.1 | 0 | 0 | 112 | E275 G276 | E272-E275 PolarHBondContact O-N 3.39Å; E272-G276 PolarHBondContact O-N 3.25Å |
| 273 | E | 91.4 | Very high | 86.5 | Confident | 119 Ų | 119 | 68.2 Ų | 68.2 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -72 | -29.8 | 174.3 | -42.2 | 78.9 | -177.6 | 0 | 0 | 111.8 | S271 R277 | S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 WeakPolarHBondContact CB-OE2 3.19Å; S271-E273 PolarHBondContact O-N 2.9Å; S271-E273 PolarHBondContact OG-OE2 3.25Å; E273-R277 WeakPolarHBondContact O-CB 3.44Å; E273-R277 WeakPolarHBondContact O-CG 3.41Å; E273-R277 PolarHBondContact O-N 2.72Å; E273-R277 PolarHBondContact O-NH1 3.05Å |
| 274 | E | 92.4 | Very high | 88.2 | Confident | 7 Ų | 7 | 67 Ų | 67 | 3% | 0.033 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -72.2 | -38.6 | 170.2 | -69.8 | -177.4 | 123.5 | 0 | 0 | 112.2 | N266 W270 S271 L278 T309 R310 | N266-E274 PolarHBondContact ND2-OE1 3.09Å; W270-E274 WeakPolarHBondContact CA-OE2 3.36Å; W270-E274 HydrophobicContact CE3-CB 3.68Å; W270-E274 HydrophobicContact CZ3-CB 4.18Å; S271-E274 PolarHBondContact N-OE2 3.37Å; S271-E274 WeakPolarHBondContact O-CB 3.36Å; S271-E274 PolarHBondContact O-N 3.03Å; S271-E274 VanDerWaalsContact O-N 3.15Å; S271-E274 PolarHBondContact OG-N 2.89Å; E274-L278 VanDerWaalsContact O-CB 3.27Å; E274-L278 WeakPolarHBondContact O-CB 3.34Å; E274-L278 PolarHBondContact O-N 3.32Å; E274-L278 VanDerWaalsContact O-N 3.09Å; E274-T309 VanDerWaalsContact OE1-CB 3.23Å; E274-T309 WeakPolarHBondContact OE1-CB 3.46Å; E274-T309 PolarHBondContact OE1-OG1 2.93Å; E274-R310 IonicContact OE1-CZ 3.52Å; E274-R310 IonicContact OE1-NE 2.81Å; E274-R310 PolarHBondContact OE1-NE 3.06Å; E274-R310 IonicContact OE1-NH2 3.36Å; E274-R310 PolarHBondContact OE1-NH2 2.88Å; E274-R310 IonicContact OE2-CZ 2.95Å; E274-R310 IonicContact OE2-NE 3.99Å; E274-R310 PolarHBondContact OE2-NE 3.45Å; E274-R310 IonicContact OE2-NH2 3.15Å; E274-R310 PolarHBondContact OE2-NH2 3.32Å |
| 275 | E | 93.3 | Very high | 89.7 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 172.2 | -67.7 | -167.1 | 179.5 | 0 | 0 | 111.1 | W270 S271 E272 L278 A279 K318 L323 K326 | W270-E275 HydrophobicContact CB-CG 4.17Å; S271-E275 PolarHBondContact O-N 3.49Å; E272-E275 PolarHBondContact O-N 3.39Å; E275-L278 PolarHBondContact O-N 3.13Å; E275-A279 WeakPolarHBondContact O-CB 3.5Å; E275-A279 PolarHBondContact O-N 3.36Å; E275-K318 WeakPolarHBondContact OE1-CE 3.34Å; E275-K318 IonicContact OE1-NZ 3.42Å; E275-K318 PolarHBondContact OE1-NZ 3.45Å; E275-L323 HydrophobicContact CB-CD1 4.23Å; E275-L323 HydrophobicContact CB-CD2 4.13Å; E275-L323 HydrophobicContact CG-CD1 4.33Å; E275-L323 HydrophobicContact CG-CD2 4.01Å; E275-L323 WeakPolarHBondContact OE2-CD2 3.29Å; E275-K326 IonicContact OE2-NZ 3.8Å; E275-K326 PolarHBondContact OE2-NZ 3.12Å |
| 276 | G | 92.3 | Very high | 90.3 | Very high | 38 Ų | 38 | 65 Ų | 65 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.1 | -53.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | E272 L278 A279 E280 | E272-G276 PolarHBondContact O-N 3.25Å; G276-L278 VanDerWaalsContact C-N 3.29Å; G276-L278 PolarHBondContact O-N 3.13Å; G276-A279 PolarHBondContact O-N 3.14Å; G276-A279 VanDerWaalsContact O-N 3.14Å; G276-E280 WeakPolarHBondContact O-CB 3.34Å; G276-E280 PolarHBondContact O-N 3.18Å |
| 277 | R | 93.8 | Very high | 90.6 | Very high | 88 Ų | 88 | 64.8 Ų | 64.8 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61 | -35.8 | 176.6 | -73.5 | -170.2 | -56 | -78.7 | 0.4 | 112.8 | E273 V281 | E273-R277 WeakPolarHBondContact O-CB 3.44Å; E273-R277 WeakPolarHBondContact O-CG 3.41Å; E273-R277 PolarHBondContact O-N 2.72Å; E273-R277 PolarHBondContact O-NH1 3.05Å; R277-V281 WeakPolarHBondContact O-CB 3.4Å; R277-V281 VanDerWaalsContact O-CG2 3.26Å; R277-V281 WeakPolarHBondContact O-CG2 3.38Å; R277-V281 PolarHBondContact O-N 3.27Å; R277-V281 VanDerWaalsContact O-N 3.15Å |
| 278 | L | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 175.3 | 175.5 | 58 | 0 | 0 | 0 | 111.2 | W270 E274 E275 G276 V282 V303 V307 C315 K318 W319 L323 | W270-L278 HydrophobicContact CE3-CD2 4.44Å; W270-L278 HydrophobicContact CH2-CD2 3.57Å; W270-L278 HydrophobicContact CZ2-CD2 4.48Å; W270-L278 HydrophobicContact CZ3-CB 4.13Å; W270-L278 HydrophobicContact CZ3-CD2 3.54Å; W270-L278 HydrophobicContact CZ3-CG 4.44Å; E274-L278 VanDerWaalsContact O-CB 3.27Å; E274-L278 WeakPolarHBondContact O-CB 3.34Å; E274-L278 PolarHBondContact O-N 3.32Å; E274-L278 VanDerWaalsContact O-N 3.09Å; E275-L278 PolarHBondContact O-N 3.13Å; G276-L278 VanDerWaalsContact C-N 3.29Å; G276-L278 PolarHBondContact O-N 3.13Å; L278-V282 HydrophobicContact CD1-CG2 3.89Å; L278-V282 WeakPolarHBondContact O-CB 3.47Å; L278-V282 WeakPolarHBondContact O-CG2 3.47Å; L278-V282 PolarHBondContact O-N 2.7Å; L278-V282 VanDerWaalsContact O-N 3.11Å; L278-V303 HydrophobicContact CD1-CG1 3.42Å; L278-V303 VanDerWaalsContact CD1-CG1 3.42Å; L278-V307 HydrophobicContact CB-CG2 4.2Å; L278-V307 HydrophobicContact CD1-CG2 4.28Å; L278-C315 HydrophobicContact CD1-CB 3.82Å; L278-K318 HydrophobicContact CD2-CB 3.95Å; L278-K318 HydrophobicContact CD2-CG 3.83Å; L278-W319 HydrophobicContact CG-CE3 4.34Å; L278-L323 HydrophobicContact CB-CD1 4.39Å; L278-L323 HydrophobicContact CD2-CD1 3.67Å; L278-L323 HydrophobicContact CG-CD1 4.09Å |
| 279 | A | 92.7 | Very high | 91.1 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 5% | 0.05 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.6 | -50.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E275 G276 V281 V282 Y283 W319 | E275-A279 WeakPolarHBondContact O-CB 3.5Å; E275-A279 PolarHBondContact O-N 3.36Å; G276-A279 PolarHBondContact O-N 3.14Å; G276-A279 VanDerWaalsContact O-N 3.14Å; A279-V281 PolarHBondContact O-N 3.12Å; A279-V282 PolarHBondContact O-N 3.12Å; A279-Y283 HydrophobicContact CB-CD2 4.39Å; A279-Y283 HydrophobicContact CB-CE2 4.29Å; A279-Y283 WeakPolarHBondContact O-CD2 3.27Å; A279-Y283 PolarHBondContact O-N 3.35Å; A279-W319 HydrophobicContact CB-CH2 4.34Å; A279-W319 HydrophobicContact CB-CZ3 3.81Å |
| 280 | E | 92.9 | Very high | 90.8 | Very high | 129 Ų | 129 | 57.8 Ų | 57.8 | 60% | 0.603 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -50.9 | -55.5 | 176.9 | 177.9 | -178.3 | -150 | 0 | 0 | 111.6 | G276 V282 Y283 E284 | G276-E280 WeakPolarHBondContact O-CB 3.34Å; G276-E280 PolarHBondContact O-N 3.18Å; E280-V282 VanDerWaalsContact C-N 3.34Å; E280-V282 PolarHBondContact O-N 3.39Å; E280-Y283 PolarHBondContact O-N 3.48Å; E280-E284 WeakPolarHBondContact O-CB 3.31Å; E280-E284 PolarHBondContact O-N 3.3Å |
| 281 | V | 93.6 | Very high | 90.1 | Very high | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.4 | -35.3 | -178.2 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | R277 A279 M285 V303 R306 | R277-V281 WeakPolarHBondContact O-CB 3.4Å; R277-V281 VanDerWaalsContact O-CG2 3.26Å; R277-V281 WeakPolarHBondContact O-CG2 3.38Å; R277-V281 PolarHBondContact O-N 3.27Å; R277-V281 VanDerWaalsContact O-N 3.15Å; A279-V281 PolarHBondContact O-N 3.12Å; V281-M285 HydrophobicContact CG1-CG 4.38Å; V281-M285 HydrophobicContact CG1-SD 4.03Å; V281-M285 VanDerWaalsContact O-CB 3.26Å; V281-M285 WeakPolarHBondContact O-CB 2.9Å; V281-M285 VanDerWaalsContact O-CG 3.26Å; V281-M285 WeakPolarHBondContact O-CG 3.41Å; V281-M285 PolarHBondContact O-N 3.03Å; V281-V303 HydrophobicContact CG1-CB 4.28Å; V281-V303 HydrophobicContact CG1-CG1 4.18Å; V281-V303 HydrophobicContact CG1-CG2 4.17Å; V281-R306 HydrophobicContact CG1-CB 3.97Å; V281-R306 HydrophobicContact CG1-CG 4.44Å; V281-R306 HydrophobicContact CG2-CB 3.91Å |
| 282 | V | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.5 | -39.5 | 177.3 | 169 | 0 | 0 | 0 | 0 | 111.5 | L278 A279 E280 A286 V294 V298 W300 V303 W319 | L278-V282 HydrophobicContact CD1-CG2 3.89Å; L278-V282 WeakPolarHBondContact O-CB 3.47Å; L278-V282 WeakPolarHBondContact O-CG2 3.47Å; L278-V282 PolarHBondContact O-N 2.7Å; L278-V282 VanDerWaalsContact O-N 3.11Å; A279-V282 PolarHBondContact O-N 3.12Å; E280-V282 VanDerWaalsContact C-N 3.34Å; E280-V282 PolarHBondContact O-N 3.39Å; V282-A286 WeakPolarHBondContact O-CB 3.15Å; V282-A286 PolarHBondContact O-N 2.94Å; V282-V294 HydrophobicContact CG1-CB 4.14Å; V282-V294 HydrophobicContact CG1-CG1 3.8Å; V282-V298 HydrophobicContact CG1-CG2 4.34Å; V282-V298 HydrophobicContact CG2-CG1 4.49Å; V282-W300 HydrophobicContact CG2-CH2 4.13Å; V282-W300 HydrophobicContact CG2-CZ3 3.86Å; V282-V303 HydrophobicContact CG2-CG1 4.07Å; V282-V303 HydrophobicContact CG2-CG2 4.16Å; V282-W319 HydrophobicContact CB-CD2 4.36Å; V282-W319 HydrophobicContact CB-CE3 4.4Å; V282-W319 HydrophobicContact CB-CZ2 4.46Å; V282-W319 HydrophobicContact CG1-CD2 3.91Å; V282-W319 HydrophobicContact CG1-CE3 4.38Å; V282-W319 HydrophobicContact CG1-CG 4.44Å; V282-W319 HydrophobicContact CG1-CH2 4.23Å; V282-W319 HydrophobicContact CG1-CZ2 3.7Å; V282-W319 HydrophobicContact CG2-CD2 4.31Å; V282-W319 HydrophobicContact CG2-CE3 4.39Å |
| 283 | Y | 92 | Very high | 89 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68 | -44.6 | 175.8 | -75.4 | -56 | 0 | 0 | 0 | 112.4 | A279 E280 M285 A286 G287 V288 P290 G291 S292 V294 W319 H327 | A279-Y283 HydrophobicContact CB-CD2 4.39Å; A279-Y283 HydrophobicContact CB-CE2 4.29Å; A279-Y283 WeakPolarHBondContact O-CD2 3.27Å; A279-Y283 PolarHBondContact O-N 3.35Å; E280-Y283 PolarHBondContact O-N 3.48Å; Y283-M285 PolarHBondContact O-N 3.24Å; Y283-A286 PolarHBondContact O-N 3.27Å; Y283-G287 PolarHBondContact O-N 2.8Å; Y283-V288 HydrophobicContact CD1-CG2 3.94Å; Y283-V288 HydrophobicContact CE1-CG2 4.38Å; Y283-V288 PolarHBondContact O-N 2.89Å; Y283-P290 HydrophobicContact CD2-CB 4.09Å; Y283-P290 HydrophobicContact CD2-CG 4.14Å; Y283-P290 HydrophobicContact CE2-CB 4.03Å; Y283-P290 HydrophobicContact CG-CG 4.35Å; Y283-G291 PolarHBondContact OH-N 3.39Å; Y283-G291 VanDerWaalsContact OH-N 3.09Å; Y283-S292 WeakPolarHBondContact CE1-O 3.44Å; Y283-S292 PolarHBondContact OH-O 3.08Å; Y283-V294 HydrophobicContact CD1-CG2 4.2Å; Y283-V294 HydrophobicContact CE1-CG2 4.03Å; Y283-W319 HydrophobicContact CD2-CH2 4.46Å; Y283-W319 HydrophobicContact CE1-CH2 4.45Å; Y283-W319 HydrophobicContact CE1-CZ2 4.45Å; Y283-W319 AromaticContact CE2-CH2 3.74Å; Y283-W319 HydrophobicContact CE2-CH2 3.74Å; Y283-W319 HydrophobicContact CE2-CZ2 4.5Å; Y283-W319 AromaticContact CZ-CH2 3.72Å; Y283-H327 WeakPolarHBondContact OH-CB 3.41Å |
| 284 | E | 90.7 | Very high | 88.6 | Confident | 116 Ų | 116 | 47 Ų | 47 | 54% | 0.542 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58 | -48.8 | 174.3 | -170.4 | -149.5 | 130.2 | 0 | 0 | 111.3 | E280 A286 G287 R306 | E280-E284 WeakPolarHBondContact O-CB 3.31Å; E280-E284 PolarHBondContact O-N 3.3Å; E284-A286 VanDerWaalsContact C-N 3.33Å; E284-A286 PolarHBondContact O-N 3.33Å; E284-G287 PolarHBondContact O-N 2.62Å; E284-R306 IonicContact OE1-CZ 2.72Å; E284-R306 VanDerWaalsContact OE1-CZ 3.26Å; E284-R306 IonicContact OE1-NH1 3.35Å; E284-R306 PolarHBondContact OE1-NH1 3.28Å; E284-R306 IonicContact OE1-NH2 2.62Å; E284-R306 PolarHBondContact OE1-NH2 2.76Å; E284-R306 IonicContact OE2-CZ 2.7Å; E284-R306 IonicContact OE2-NH1 3.12Å; E284-R306 PolarHBondContact OE2-NH1 3.27Å; E284-R306 IonicContact OE2-NH2 3.92Å |
| 285 | M | 89.5 | Confident | 88.2 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.6 | -24.5 | -179.3 | -75.2 | -171.4 | 64.6 | 0 | 0 | 114.3 | V281 Y283 V298 T302 V303 | V281-M285 HydrophobicContact CG1-CG 4.38Å; V281-M285 HydrophobicContact CG1-SD 4.03Å; V281-M285 VanDerWaalsContact O-CB 3.26Å; V281-M285 WeakPolarHBondContact O-CB 2.9Å; V281-M285 VanDerWaalsContact O-CG 3.26Å; V281-M285 WeakPolarHBondContact O-CG 3.41Å; V281-M285 PolarHBondContact O-N 3.03Å; Y283-M285 PolarHBondContact O-N 3.24Å; M285-V298 HydrophobicContact CB-CG1 4.4Å; M285-V298 HydrophobicContact CE-CG1 4.36Å; M285-T302 HydrophobicContact CE-CG2 3.98Å; M285-T302 HydrophobicContact SD-CG2 4Å; M285-V303 HydrophobicContact CE-CG2 4.46Å; M285-V303 HydrophobicContact SD-CG2 3.66Å |
| 286 | A | 88.1 | Confident | 87.7 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -85.9 | -16 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | V282 Y283 E284 V288 V294 V298 | V282-A286 WeakPolarHBondContact O-CB 3.15Å; V282-A286 PolarHBondContact O-N 2.94Å; Y283-A286 PolarHBondContact O-N 3.27Å; E284-A286 VanDerWaalsContact C-N 3.33Å; E284-A286 PolarHBondContact O-N 3.33Å; A286-V288 VanDerWaalsContact C-N 3.3Å; A286-V288 HydrophobicContact CB-CG2 3.97Å; A286-V288 PolarHBondContact O-N 2.94Å; A286-V294 HydrophobicContact CB-CG1 3.78Å; A286-V294 HydrophobicContact CB-CG2 3.91Å; A286-V298 HydrophobicContact CB-CG2 4.12Å |
| 287 | G | 86 | Confident | 87.3 | Confident | 70 Ų | 70 | 53.9 Ų | 53.9 | 72% | 0.722 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 24.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y283 E284 | Y283-G287 PolarHBondContact O-N 2.8Å; E284-G287 PolarHBondContact O-N 2.62Å |
| 288 | V | 87 | Confident | 87 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | trans | -123.7 | 155.4 | -176.3 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | Y283 A286 V294 | Y283-V288 HydrophobicContact CD1-CG2 3.94Å; Y283-V288 HydrophobicContact CE1-CG2 4.38Å; Y283-V288 PolarHBondContact O-N 2.89Å; A286-V288 VanDerWaalsContact C-N 3.3Å; A286-V288 HydrophobicContact CB-CG2 3.97Å; A286-V288 PolarHBondContact O-N 2.94Å; V288-V294 HydrophobicContact CG2-CG2 3.56Å | ||
| 289 | S | 83.9 | Confident | 86.9 | Confident | 81 Ų | 81 | 53 Ų | 53 | 57% | 0.566 | 37% | 0.369 | S | S | * | . | trans | -67.3 | 147.2 | 179.5 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | S292 | S289-S292 WeakPolarHBondContact O-CB 3.43Å; S289-S292 PolarHBondContact O-N 2.83Å; S289-S292 VanDerWaalsContact O-N 3.11Å; S289-S292 PolarHBondContact O-OG 3.12Å; S289-S292 PolarHBondContact OG-OG 3.17Å | ||
| 290 | P | 83.8 | Confident | 86.8 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 67% | 0.669 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 139.8 | 171.1 | -28.4 | 36.3 | 0 | 0 | 0 | 112.8 | Y283 | Y283-P290 HydrophobicContact CD2-CB 4.09Å; Y283-P290 HydrophobicContact CD2-CG 4.14Å; Y283-P290 HydrophobicContact CE2-CB 4.03Å; Y283-P290 HydrophobicContact CG-CG 4.35Å |
| 291 | G | 76.6 | Confident | 86.6 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 37% | 0.371 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -17.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y283 H327 S328 | Y283-G291 PolarHBondContact OH-N 3.39Å; Y283-G291 VanDerWaalsContact OH-N 3.09Å; G291-H327 WeakPolarHBondContact CA-O 3.46Å; G291-S328 WeakPolarHBondContact O-CA 3.42Å |
| 292 | S | 80.9 | Confident | 86.4 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -65.6 | 143.8 | 171 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | Y283 S289 V294 | Y283-S292 WeakPolarHBondContact CE1-O 3.44Å; Y283-S292 PolarHBondContact OH-O 3.08Å; S289-S292 WeakPolarHBondContact O-CB 3.43Å; S289-S292 PolarHBondContact O-N 2.83Å; S289-S292 VanDerWaalsContact O-N 3.11Å; S289-S292 PolarHBondContact O-OG 3.12Å; S289-S292 PolarHBondContact OG-OG 3.17Å; S292-V294 PolarHBondContact O-N 3.03Å |
| 293 | A | 81.3 | Confident | 86.4 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 55% | 0.554 | 37% | 0.37 | S | S | * | . | trans | -80.6 | 108.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N324 | A293-N324 WeakPolarHBondContact CA-OD1 3.42Š| ||
| 294 | V | 84 | Confident | 86.3 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.048 | 37% | 0.369 | C | S | . | . | trans | -104.7 | 102.2 | -179 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | V282 Y283 A286 V288 S292 V298 W319 N324 | V282-V294 HydrophobicContact CG1-CB 4.14Å; V282-V294 HydrophobicContact CG1-CG1 3.8Å; Y283-V294 HydrophobicContact CD1-CG2 4.2Å; Y283-V294 HydrophobicContact CE1-CG2 4.03Å; A286-V294 HydrophobicContact CB-CG1 3.78Å; A286-V294 HydrophobicContact CB-CG2 3.91Å; V288-V294 HydrophobicContact CG2-CG2 3.56Å; S292-V294 PolarHBondContact O-N 3.03Å; V294-V298 HydrophobicContact CG1-CG2 3.71Å; V294-W319 HydrophobicContact CB-CZ2 4.22Å; V294-W319 PolarHBondContact O-NE1 2.77Å; V294-N324 PolarHBondContact N-OD1 3.31Å; V294-N324 PolarHBondContact O-OD1 3.03Å | ||
| 295 | T | 82.7 | Confident | 86.2 | Confident | 55 Ų | 55 | 50 Ų | 50 | 34% | 0.337 | 37% | 0.366 | S | S | . | . | trans | -110.9 | -18.9 | -178.5 | 54.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 296 | A | 83.4 | Confident | 86.3 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 63% | 0.628 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -139.7 | -177.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V298 | A296-V298 VanDerWaalsContact C-N 3.27Å; A296-V298 PolarHBondContact O-N 3.1Å; A296-V298 VanDerWaalsContact O-N 3.16Å |
| 297 | G | 82.7 | Confident | 86.4 | Confident | 84 Ų | 84 | 50.8 Ų | 50.8 | 87% | 0.866 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 80.7 | -19.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 298 | V | 88.9 | Confident | 86.5 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | trans | -95.1 | 128.8 | -169.5 | 179.6 | 0 | 0 | 0 | 0 | 113.7 | V282 M285 A286 V294 A296 W300 V303 | V282-V298 HydrophobicContact CG1-CG2 4.34Å; V282-V298 HydrophobicContact CG2-CG1 4.49Å; M285-V298 HydrophobicContact CB-CG1 4.4Å; M285-V298 HydrophobicContact CE-CG1 4.36Å; A286-V298 HydrophobicContact CB-CG2 4.12Å; V294-V298 HydrophobicContact CG1-CG2 3.71Å; A296-V298 VanDerWaalsContact C-N 3.27Å; A296-V298 PolarHBondContact O-N 3.1Å; A296-V298 VanDerWaalsContact O-N 3.16Å; V298-W300 HydrophobicContact CB-CZ2 4.29Å; V298-W300 HydrophobicContact CG1-CH2 4.47Å; V298-W300 HydrophobicContact CG1-CZ2 4.46Å; V298-W300 PolarHBondContact O-N 3.31Å; V298-W300 PolarHBondContact O-NE1 3.27Å; V298-V303 HydrophobicContact CG1-CG2 3.36Å | ||
| 299 | S | 91 | Very high | 86.5 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | trans | -78.2 | 97 | 171.3 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | A301 T302 V303 | S299-A301 PolarHBondContact O-N 3.32Å; S299-T302 WeakPolarHBondContact O-CB 3.31Å; S299-T302 PolarHBondContact O-N 2.99Å; S299-T302 VanDerWaalsContact O-N 3.13Å; S299-T302 PolarHBondContact OG-OG1 3.1Å; S299-V303 WeakPolarHBondContact O-CG2 3.3Å; S299-V303 PolarHBondContact O-N 3.3Å | ||
| 300 | W | 91 | Very high | 86.7 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -24.9 | -176.8 | -63.4 | 101.3 | 0 | 0 | 0 | 114.9 | V282 V298 V303 A304 E312 C315 R316 W319 L320 | V282-W300 HydrophobicContact CG2-CH2 4.13Å; V282-W300 HydrophobicContact CG2-CZ3 3.86Å; V298-W300 HydrophobicContact CB-CZ2 4.29Å; V298-W300 HydrophobicContact CG1-CH2 4.47Å; V298-W300 HydrophobicContact CG1-CZ2 4.46Å; V298-W300 PolarHBondContact O-N 3.31Å; V298-W300 PolarHBondContact O-NE1 3.27Å; W300-V303 HydrophobicContact CE3-CB 4.34Å; W300-V303 HydrophobicContact CE3-CG1 4.36Å; W300-V303 HydrophobicContact CE3-CG2 4.25Å; W300-V303 HydrophobicContact CZ3-CG1 4.47Å; W300-A304 WeakPolarHBondContact O-CB 3.39Å; W300-A304 PolarHBondContact O-N 3.25Å; W300-E312 HydrophobicContact CB-CG 3.49Å; W300-E312 VanDerWaalsContact CB-CG 3.49Å; W300-C315 HydrophobicContact CE3-CB 4.32Å; W300-R316 HydrophobicContact CB-CB 4.31Å; W300-R316 HydrophobicContact CD2-CB 3.56Å; W300-R316 HydrophobicContact CD2-CG 3.8Å; W300-R316 VanDerWaalsContact CE3-CA 3.48Å; W300-R316 HydrophobicContact CE3-CB 3.84Å; W300-R316 HydrophobicContact CE3-CG 4.44Å; W300-R316 HydrophobicContact CG-CB 3.75Å; W300-R316 HydrophobicContact CG-CG 3.95Å; W300-R316 HydrophobicContact CZ2-CG 4.34Å; W300-W319 HydrophobicContact CH2-CB 3.59Å; W300-W319 AromaticContact CH2-CD1 3.56Å; W300-W319 AromaticContact CH2-CG 3.65Å; W300-W319 HydrophobicContact CH2-CG 3.65Å; W300-W319 HydrophobicContact CZ3-CB 3.84Å; W300-W319 HydrophobicContact CZ3-CG 4.24Å; W300-L320 HydrophobicContact CZ2-CD1 4.45Å; W300-L320 HydrophobicContact CZ2-CD2 4.5Å; W300-L320 HydrophobicContact CZ2-CG 4.31Å |
| 301 | A | 89.1 | Confident | 86.9 | Confident | 35 Ų | 35 | 48 Ų | 48 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.7 | -50.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S299 V303 A304 D305 | S299-A301 PolarHBondContact O-N 3.32Å; A301-V303 VanDerWaalsContact C-N 3.32Å; A301-V303 PolarHBondContact O-N 2.94Å; A301-A304 WeakPolarHBondContact O-CB 3.36Å; A301-A304 PolarHBondContact O-N 2.95Å; A301-A304 VanDerWaalsContact O-N 3.12Å; A301-D305 PolarHBondContact O-N 2.72Å |
| 302 | T | 90.1 | Very high | 87.5 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 37% | 0.368 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -39 | 175.6 | -43.4 | 0 | 0 | 0 | 0 | 111.8 | M285 S299 D305 R306 | M285-T302 HydrophobicContact CE-CG2 3.98Å; M285-T302 HydrophobicContact SD-CG2 4Å; S299-T302 WeakPolarHBondContact O-CB 3.31Å; S299-T302 PolarHBondContact O-N 2.99Å; S299-T302 VanDerWaalsContact O-N 3.13Å; S299-T302 PolarHBondContact OG-OG1 3.1Å; T302-D305 PolarHBondContact O-N 2.91Å; T302-R306 WeakPolarHBondContact O-CG 3.44Å; T302-R306 PolarHBondContact O-N 2.86Å; T302-R306 VanDerWaalsContact O-N 3.11Å |
| 303 | V | 91.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 172.5 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | L278 V281 V282 M285 V298 S299 W300 A301 D305 R306 V307 C315 | L278-V303 HydrophobicContact CD1-CG1 3.42Å; L278-V303 VanDerWaalsContact CD1-CG1 3.42Å; V281-V303 HydrophobicContact CG1-CB 4.28Å; V281-V303 HydrophobicContact CG1-CG1 4.18Å; V281-V303 HydrophobicContact CG1-CG2 4.17Å; V282-V303 HydrophobicContact CG2-CG1 4.07Å; V282-V303 HydrophobicContact CG2-CG2 4.16Å; M285-V303 HydrophobicContact CE-CG2 4.46Å; M285-V303 HydrophobicContact SD-CG2 3.66Å; V298-V303 HydrophobicContact CG1-CG2 3.36Å; S299-V303 WeakPolarHBondContact O-CG2 3.3Å; S299-V303 PolarHBondContact O-N 3.3Å; W300-V303 HydrophobicContact CE3-CB 4.34Å; W300-V303 HydrophobicContact CE3-CG1 4.36Å; W300-V303 HydrophobicContact CE3-CG2 4.25Å; W300-V303 HydrophobicContact CZ3-CG1 4.47Å; A301-V303 VanDerWaalsContact C-N 3.32Å; A301-V303 PolarHBondContact O-N 2.94Å; V303-D305 PolarHBondContact O-N 3.17Å; V303-R306 PolarHBondContact O-N 3.14Å; V303-V307 HydrophobicContact CG1-CG2 4.15Å; V303-V307 WeakPolarHBondContact O-CB 3.44Å; V303-V307 VanDerWaalsContact O-CG2 3.3Å; V303-V307 WeakPolarHBondContact O-CG2 3.28Å; V303-V307 PolarHBondContact O-N 3.43Å; V303-C315 HydrophobicContact CG1-CB 4.11Å |
| 304 | A | 90.4 | Very high | 88.2 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | W300 A301 R306 V307 R308 R310 E312 | W300-A304 WeakPolarHBondContact O-CB 3.39Å; W300-A304 PolarHBondContact O-N 3.25Å; A301-A304 WeakPolarHBondContact O-CB 3.36Å; A301-A304 PolarHBondContact O-N 2.95Å; A301-A304 VanDerWaalsContact O-N 3.12Å; A304-R306 VanDerWaalsContact C-N 3.28Å; A304-R306 PolarHBondContact O-N 3.41Å; A304-V307 PolarHBondContact O-N 2.95Å; A304-R308 WeakPolarHBondContact O-CA 3.42Å; A304-R308 PolarHBondContact O-N 3.07Å; A304-R310 WeakPolarHBondContact CB-O 3.36Å; A304-E312 HydrophobicContact CB-CB 4.4Å; A304-E312 VanDerWaalsContact CB-N 3.35Å |
| 305 | D | 89 | Confident | 88.6 | Confident | 92 Ų | 92 | 54.7 Ų | 54.7 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.1 | -22.6 | 179.3 | -66.3 | -34.1 | 0 | 0 | 0 | 113 | K262 A301 T302 V303 R308 | K262-D305 IonicContact NZ-OD1 2.68Å; K262-D305 PolarHBondContact NZ-OD1 2.94Å; K262-D305 IonicContact NZ-OD2 3.47Å; A301-D305 PolarHBondContact O-N 2.72Å; T302-D305 PolarHBondContact O-N 2.91Å; V303-D305 PolarHBondContact O-N 3.17Å; D305-R308 VanDerWaalsContact O-CG 3.27Å; D305-R308 WeakPolarHBondContact O-CG 3.25Å |
| 306 | R | 90.9 | Very high | 89 | Confident | 103 Ų | 103 | 57.4 Ų | 57.4 | 39% | 0.389 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -84.2 | -41.7 | 169.8 | -72.5 | 172 | 162.1 | -150.2 | -3.1 | 113.3 | V281 E284 T302 V303 A304 R308 | V281-R306 HydrophobicContact CG1-CB 3.97Å; V281-R306 HydrophobicContact CG1-CG 4.44Å; V281-R306 HydrophobicContact CG2-CB 3.91Å; E284-R306 IonicContact OE1-CZ 2.72Å; E284-R306 VanDerWaalsContact OE1-CZ 3.26Å; E284-R306 IonicContact OE1-NH1 3.35Å; E284-R306 PolarHBondContact OE1-NH1 3.28Å; E284-R306 IonicContact OE1-NH2 2.62Å; E284-R306 PolarHBondContact OE1-NH2 2.76Å; E284-R306 IonicContact OE2-CZ 2.7Å; E284-R306 IonicContact OE2-NH1 3.12Å; E284-R306 PolarHBondContact OE2-NH1 3.27Å; E284-R306 IonicContact OE2-NH2 3.92Å; T302-R306 WeakPolarHBondContact O-CG 3.44Å; T302-R306 PolarHBondContact O-N 2.86Å; T302-R306 VanDerWaalsContact O-N 3.11Å; V303-R306 PolarHBondContact O-N 3.14Å; A304-R306 VanDerWaalsContact C-N 3.28Å; A304-R306 PolarHBondContact O-N 3.41Å; R306-R308 VanDerWaalsContact C-N 3.26Å; R306-R308 PolarHBondContact O-N 3.27Å |
| 307 | V | 89.8 | Confident | 89.3 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.8 | -30.9 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | L278 V303 A304 T309 R310 | L278-V307 HydrophobicContact CB-CG2 4.2Å; L278-V307 HydrophobicContact CD1-CG2 4.28Å; V303-V307 HydrophobicContact CG1-CG2 4.15Å; V303-V307 WeakPolarHBondContact O-CB 3.44Å; V303-V307 VanDerWaalsContact O-CG2 3.3Å; V303-V307 WeakPolarHBondContact O-CG2 3.28Å; V303-V307 PolarHBondContact O-N 3.43Å; A304-V307 PolarHBondContact O-N 2.95Å; V307-T309 PolarHBondContact O-N 3.39Å; V307-R310 HydrophobicContact CG1-CB 4.32Å |
| 308 | R | 87.6 | Confident | 89.8 | Confident | 195 Ų | 195 | 54.2 Ų | 54.2 | 74% | 0.736 | 26% | 0.264 | S | S | * | . | trans | 63.5 | -35.5 | 176.2 | -64 | 172.7 | -177.4 | 169.4 | 1.6 | 116.6 | A304 D305 R306 | A304-R308 WeakPolarHBondContact O-CA 3.42Å; A304-R308 PolarHBondContact O-N 3.07Å; D305-R308 VanDerWaalsContact O-CG 3.27Å; D305-R308 WeakPolarHBondContact O-CG 3.25Å; R306-R308 VanDerWaalsContact C-N 3.26Å; R306-R308 PolarHBondContact O-N 3.27Å | ||
| 309 | T | 87.3 | Confident | 90 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 20% | 0.202 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -86.1 | -8.8 | -174.4 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | C265 N266 E274 V307 | C265-T309 CarbonylContact C-O 3.55Å; C265-T309 WeakPolarHBondContact CA-O 3.49Å; N266-T309 WeakPolarHBondContact CB-O 3.16Å; N266-T309 PolarHBondContact N-O 3.17Å; E274-T309 VanDerWaalsContact OE1-CB 3.23Å; E274-T309 WeakPolarHBondContact OE1-CB 3.46Å; E274-T309 PolarHBondContact OE1-OG1 2.93Å; V307-T309 PolarHBondContact O-N 3.39Å |
| 310 | R | 88.1 | Confident | 90 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -141.8 | 148 | -172.6 | -60.5 | -66.4 | 176.7 | 154.6 | 8 | 111.7 | C265 N266 G268 K269 W270 E274 A304 V307 Q314 | C265-R310 VanDerWaalsContact SG-C 3.59Å; N266-R310 WeakPolarHBondContact O-CD 3.32Å; N266-R310 PolarHBondContact O-NH1 3.1Å; G268-R310 PolarHBondContact O-NH1 3.04Å; K269-R310 PolarHBondContact O-NH2 3.3Å; W270-R310 HydrophobicContact CE3-CG 4.48Å; W270-R310 HydrophobicContact CH2-CB 3.86Å; W270-R310 HydrophobicContact CH2-CG 3.61Å; W270-R310 HydrophobicContact CZ2-CB 4.17Å; W270-R310 HydrophobicContact CZ2-CG 3.82Å; W270-R310 HydrophobicContact CZ3-CG 3.97Å; E274-R310 IonicContact OE1-CZ 3.52Å; E274-R310 IonicContact OE1-NE 2.81Å; E274-R310 PolarHBondContact OE1-NE 3.06Å; E274-R310 IonicContact OE1-NH2 3.36Å; E274-R310 PolarHBondContact OE1-NH2 2.88Å; E274-R310 IonicContact OE2-CZ 2.95Å; E274-R310 IonicContact OE2-NE 3.99Å; E274-R310 PolarHBondContact OE2-NE 3.45Å; E274-R310 IonicContact OE2-NH2 3.15Å; E274-R310 PolarHBondContact OE2-NH2 3.32Å; A304-R310 WeakPolarHBondContact CB-O 3.36Å; V307-R310 HydrophobicContact CG1-CB 4.32Å; R310-Q314 HydrophobicContact CB-CB 4.13Å |
| 311 | S | 87.9 | Confident | 89.9 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 15% | 0.154 | 25% | 0.25 | C | S | . | . | trans | -76.9 | 160.3 | 179.5 | 64.2 | 0 | 0 | 0 | 0 | 113 | C265 K313 Q314 C315 | C265-S311 PolarHBondContact SG-N 3.17Å; S311-K313 VanDerWaalsContact C-N 3.25Å; S311-K313 PolarHBondContact O-N 2.91Å; S311-K313 VanDerWaalsContact O-N 3.16Å; S311-Q314 WeakPolarHBondContact O-CA 3.29Å; S311-Q314 WeakPolarHBondContact O-CB 3.39Å; S311-Q314 PolarHBondContact O-N 3.22Å; S311-Q314 WeakPolarHBondContact OG-CG 3.44Å; S311-Q314 PolarHBondContact OG-OE1 2.68Å; S311-C315 PolarHBondContact O-N 3.05Å | ||
| 312 | E | 89.5 | Confident | 89.9 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -43.2 | -50.5 | 174.7 | -178.5 | -170.6 | 164.6 | 0 | 0 | 112.6 | W300 A304 Q314 C315 R316 | W300-E312 HydrophobicContact CB-CG 3.49Å; W300-E312 VanDerWaalsContact CB-CG 3.49Å; A304-E312 HydrophobicContact CB-CB 4.4Å; A304-E312 VanDerWaalsContact CB-N 3.35Å; E312-Q314 VanDerWaalsContact C-N 3.34Å; E312-Q314 PolarHBondContact O-N 2.94Å; E312-C315 PolarHBondContact O-N 2.99Å; E312-R316 VanDerWaalsContact O-CB 3.31Å; E312-R316 WeakPolarHBondContact O-CB 3.43Å; E312-R316 PolarHBondContact O-N 3.39Å |
| 313 | K | 87.3 | Confident | 89.7 | Confident | 153 Ų | 153 | 51.8 Ų | 51.8 | 67% | 0.665 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.1 | -35.4 | -179.3 | -177 | 175.1 | 178.4 | 179.3 | 0 | 112.4 | S311 S317 | S311-K313 VanDerWaalsContact C-N 3.25Å; S311-K313 PolarHBondContact O-N 2.91Å; S311-K313 VanDerWaalsContact O-N 3.16Å; K313-S317 WeakPolarHBondContact O-CB 3.37Å; K313-S317 PolarHBondContact O-N 3.49Å; K313-S317 VanDerWaalsContact O-N 3.13Å |
| 314 | Q | 89.4 | Confident | 89.5 | Confident | 48 Ų | 48 | 52 Ų | 52 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.5 | -49.1 | 176.1 | -71.6 | 167.4 | -69.9 | 0 | 0 | 110.8 | N266 W270 R310 S311 E312 S317 K318 | N266-Q314 PolarHBondContact O-NE2 3.31Å; W270-Q314 HydrophobicContact CZ2-CB 4.1Å; R310-Q314 HydrophobicContact CB-CB 4.13Å; S311-Q314 WeakPolarHBondContact O-CA 3.29Å; S311-Q314 WeakPolarHBondContact O-CB 3.39Å; S311-Q314 PolarHBondContact O-N 3.22Å; S311-Q314 WeakPolarHBondContact OG-CG 3.44Å; S311-Q314 PolarHBondContact OG-OE1 2.68Å; E312-Q314 VanDerWaalsContact C-N 3.34Å; E312-Q314 PolarHBondContact O-N 2.94Å; Q314-S317 PolarHBondContact O-N 3Å; Q314-K318 WeakPolarHBondContact O-CB 3.33Å; Q314-K318 PolarHBondContact O-N 2.99Å |
| 315 | C | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.9 | -51.9 | 177.7 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | L278 W300 V303 S311 E312 S317 K318 W319 | L278-C315 HydrophobicContact CD1-CB 3.82Å; W300-C315 HydrophobicContact CE3-CB 4.32Å; V303-C315 HydrophobicContact CG1-CB 4.11Å; S311-C315 PolarHBondContact O-N 3.05Å; E312-C315 PolarHBondContact O-N 2.99Å; C315-S317 VanDerWaalsContact C-N 3.33Å; C315-S317 PolarHBondContact O-N 3.15Å; C315-K318 PolarHBondContact O-N 2.66Å; C315-W319 WeakPolarHBondContact O-CB 3.42Å; C315-W319 PolarHBondContact O-N 3.04Å |
| 316 | R | 91.6 | Very high | 89.3 | Confident | 112 Ų | 112 | 53.4 Ų | 53.4 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.9 | -44 | 177.9 | -175.3 | 173.1 | -176.7 | 173.3 | 2.3 | 112.5 | W300 E312 L320 | W300-R316 HydrophobicContact CB-CB 4.31Å; W300-R316 HydrophobicContact CD2-CB 3.56Å; W300-R316 HydrophobicContact CD2-CG 3.8Å; W300-R316 VanDerWaalsContact CE3-CA 3.48Å; W300-R316 HydrophobicContact CE3-CB 3.84Å; W300-R316 HydrophobicContact CE3-CG 4.44Å; W300-R316 HydrophobicContact CG-CB 3.75Å; W300-R316 HydrophobicContact CG-CG 3.95Å; W300-R316 HydrophobicContact CZ2-CG 4.34Å; E312-R316 VanDerWaalsContact O-CB 3.31Å; E312-R316 WeakPolarHBondContact O-CB 3.43Å; E312-R316 PolarHBondContact O-N 3.39Å; R316-L320 HydrophobicContact CG-CD1 3.7Å; R316-L320 WeakPolarHBondContact O-CB 3.5Å; R316-L320 WeakPolarHBondContact O-CG 3.34Å; R316-L320 PolarHBondContact O-N 2.84Å; R316-L320 VanDerWaalsContact O-N 3.08Å |
| 317 | S | 90.8 | Very high | 88.9 | Confident | 58 Ų | 58 | 51.8 Ų | 51.8 | 41% | 0.406 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.6 | -45.5 | 179.4 | -175.5 | 0 | 0 | 0 | 0 | 112 | K313 Q314 C315 W319 N321 | K313-S317 WeakPolarHBondContact O-CB 3.37Å; K313-S317 PolarHBondContact O-N 3.49Å; K313-S317 VanDerWaalsContact O-N 3.13Å; Q314-S317 PolarHBondContact O-N 3Å; C315-S317 VanDerWaalsContact C-N 3.33Å; C315-S317 PolarHBondContact O-N 3.15Å; S317-W319 VanDerWaalsContact C-N 3.32Å; S317-W319 PolarHBondContact O-N 3.19Å; S317-N321 WeakPolarHBondContact O-CB 3.41Å; S317-N321 PolarHBondContact O-N 3.05Å; S317-N321 VanDerWaalsContact O-N 3.08Å; S317-N321 PolarHBondContact O-ND2 2.92Å; S317-N321 VanDerWaalsContact O-ND2 3.08Å; S317-N321 PolarHBondContact OG-ND2 2.84Å |
| 318 | K | 92.8 | Very high | 88.4 | Confident | 34 Ų | 34 | 54 Ų | 54 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -38.1 | 179.6 | 179 | 62.4 | 172.5 | 177.5 | 0 | 111.9 | W270 E275 L278 Q314 C315 Y322 L323 | W270-K318 HydrophobicContact CD2-CB 4.35Å; W270-K318 HydrophobicContact CD2-CD 4.04Å; W270-K318 HydrophobicContact CD2-CG 3.73Å; W270-K318 HydrophobicContact CE3-CG 4Å; W270-K318 HydrophobicContact CG-CD 4.07Å; W270-K318 HydrophobicContact CG-CG 4.31Å; W270-K318 HydrophobicContact CH2-CB 3.95Å; W270-K318 HydrophobicContact CH2-CG 4.07Å; W270-K318 HydrophobicContact CZ2-CB 3.45Å; W270-K318 VanDerWaalsContact CZ2-CB 3.45Å; W270-K318 HydrophobicContact CZ2-CG 3.76Å; W270-K318 HydrophobicContact CZ3-CG 4.17Å; E275-K318 WeakPolarHBondContact OE1-CE 3.34Å; E275-K318 IonicContact OE1-NZ 3.42Å; E275-K318 PolarHBondContact OE1-NZ 3.45Å; L278-K318 HydrophobicContact CD2-CB 3.95Å; L278-K318 HydrophobicContact CD2-CG 3.83Å; Q314-K318 WeakPolarHBondContact O-CB 3.33Å; Q314-K318 PolarHBondContact O-N 2.99Å; C315-K318 PolarHBondContact O-N 2.66Å; K318-Y322 HydrophobicContact CD-CD1 4.36Å; K318-Y322 VanDerWaalsContact NZ-CD1 3.34Å; K318-Y322 PolarHBondContact O-N 3.33Å; K318-L323 HydrophobicContact CD-CG 4.31Å; K318-L323 HydrophobicContact CG-CD1 3.82Å; K318-L323 HydrophobicContact CG-CG 4.05Å; K318-L323 PolarHBondContact O-N 2.83Å |
| 319 | W | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -67.8 | -64.5 | 175.9 | -169.9 | -99.6 | 0 | 0 | 0 | 112.1 | L278 A279 V282 Y283 V294 W300 C315 S317 N321 Y322 L323 N324 | L278-W319 HydrophobicContact CG-CE3 4.34Å; A279-W319 HydrophobicContact CB-CH2 4.34Å; A279-W319 HydrophobicContact CB-CZ3 3.81Å; V282-W319 HydrophobicContact CB-CD2 4.36Å; V282-W319 HydrophobicContact CB-CE3 4.4Å; V282-W319 HydrophobicContact CB-CZ2 4.46Å; V282-W319 HydrophobicContact CG1-CD2 3.91Å; V282-W319 HydrophobicContact CG1-CE3 4.38Å; V282-W319 HydrophobicContact CG1-CG 4.44Å; V282-W319 HydrophobicContact CG1-CH2 4.23Å; V282-W319 HydrophobicContact CG1-CZ2 3.7Å; V282-W319 HydrophobicContact CG2-CD2 4.31Å; V282-W319 HydrophobicContact CG2-CE3 4.39Å; Y283-W319 HydrophobicContact CD2-CH2 4.46Å; Y283-W319 HydrophobicContact CE1-CH2 4.45Å; Y283-W319 HydrophobicContact CE1-CZ2 4.45Å; Y283-W319 AromaticContact CE2-CH2 3.74Å; Y283-W319 HydrophobicContact CE2-CH2 3.74Å; Y283-W319 HydrophobicContact CE2-CZ2 4.5Å; Y283-W319 AromaticContact CZ-CH2 3.72Å; V294-W319 HydrophobicContact CB-CZ2 4.22Å; V294-W319 PolarHBondContact O-NE1 2.77Å; W300-W319 HydrophobicContact CH2-CB 3.59Å; W300-W319 AromaticContact CH2-CD1 3.56Å; W300-W319 AromaticContact CH2-CG 3.65Å; W300-W319 HydrophobicContact CH2-CG 3.65Å; W300-W319 HydrophobicContact CZ3-CB 3.84Å; W300-W319 HydrophobicContact CZ3-CG 4.24Å; C315-W319 WeakPolarHBondContact O-CB 3.42Å; C315-W319 PolarHBondContact O-N 3.04Å; S317-W319 VanDerWaalsContact C-N 3.32Å; S317-W319 PolarHBondContact O-N 3.19Å; W319-N321 VanDerWaalsContact C-N 3.3Å; W319-N321 PolarHBondContact O-N 3.23Å; W319-Y322 PolarHBondContact O-N 3.04Å; W319-L323 HydrophobicContact CD2-CB 4.28Å; W319-L323 HydrophobicContact CE3-CB 3.5Å; W319-L323 HydrophobicContact CE3-CD1 4.04Å; W319-L323 HydrophobicContact CE3-CG 4.42Å; W319-L323 HydrophobicContact CZ3-CB 3.7Å; W319-L323 HydrophobicContact CZ3-CD1 4.35Å; W319-L323 PolarHBondContact O-N 3.21Å; W319-N324 HydrophobicContact CD2-CB 4.47Å; W319-N324 HydrophobicContact CZ2-CB 4.35Å; W319-N324 WeakPolarHBondContact O-CB 3.41Å; W319-N324 PolarHBondContact O-N 3.4Å |
| 320 | L | 90.9 | Very high | 87.7 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -68.6 | -24 | -169.7 | -65 | 174.6 | 0 | 0 | 0 | 114 | W300 R316 S370 | W300-L320 HydrophobicContact CZ2-CD1 4.45Å; W300-L320 HydrophobicContact CZ2-CD2 4.5Å; W300-L320 HydrophobicContact CZ2-CG 4.31Å; R316-L320 HydrophobicContact CG-CD1 3.7Å; R316-L320 WeakPolarHBondContact O-CB 3.5Å; R316-L320 WeakPolarHBondContact O-CG 3.34Å; R316-L320 PolarHBondContact O-N 2.84Å; R316-L320 VanDerWaalsContact O-N 3.08Å; L320-S370 VanDerWaalsContact O-CB 3.3Å; L320-S370 WeakPolarHBondContact O-CB 3.33Å; L320-S370 PolarHBondContact O-OG 3.32Å |
| 321 | N | 88.9 | Confident | 87.6 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -98.7 | -7.1 | 179.6 | -59.5 | -48.3 | 0 | 0 | 0 | 114.2 | S317 W319 R369 | S317-N321 WeakPolarHBondContact O-CB 3.41Å; S317-N321 PolarHBondContact O-N 3.05Å; S317-N321 VanDerWaalsContact O-N 3.08Å; S317-N321 PolarHBondContact O-ND2 2.92Å; S317-N321 VanDerWaalsContact O-ND2 3.08Å; S317-N321 PolarHBondContact OG-ND2 2.84Å; W319-N321 VanDerWaalsContact C-N 3.3Å; W319-N321 PolarHBondContact O-N 3.23Å; N321-R369 WeakPolarHBondContact O-CD 3.16Å; N321-R369 PolarHBondContact O-NH1 3.19Å |
| 322 | Y | 87.6 | Confident | 87.6 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -154.5 | -63 | -174.7 | -176 | -107.8 | 0 | 0 | 0 | 115.2 | K318 W319 N324 W325 K326 | K318-Y322 HydrophobicContact CD-CD1 4.36Å; K318-Y322 VanDerWaalsContact NZ-CD1 3.34Å; K318-Y322 PolarHBondContact O-N 3.33Å; W319-Y322 PolarHBondContact O-N 3.04Å; Y322-N324 PolarHBondContact O-N 2.71Å; Y322-W325 HydrophobicContact CD2-CE3 4.46Å; Y322-W325 HydrophobicContact CE2-CZ3 4.25Å; Y322-W325 PolarHBondContact O-N 3.4Å; Y322-K326 HydrophobicContact CD1-CD 4.49Å; Y322-K326 HydrophobicContact CE1-CD 3.67Å; Y322-K326 PolarHBondContact O-N 3.24Å |
| 323 | L | 87.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -65.6 | -38.4 | -169.3 | -67.3 | 178.7 | 0 | 0 | 0 | 113.3 | E275 L278 K318 W319 W325 K326 H327 | E275-L323 HydrophobicContact CB-CD1 4.23Å; E275-L323 HydrophobicContact CB-CD2 4.13Å; E275-L323 HydrophobicContact CG-CD1 4.33Å; E275-L323 HydrophobicContact CG-CD2 4.01Å; E275-L323 WeakPolarHBondContact OE2-CD2 3.29Å; L278-L323 HydrophobicContact CB-CD1 4.39Å; L278-L323 HydrophobicContact CD2-CD1 3.67Å; L278-L323 HydrophobicContact CG-CD1 4.09Å; K318-L323 HydrophobicContact CD-CG 4.31Å; K318-L323 HydrophobicContact CG-CD1 3.82Å; K318-L323 HydrophobicContact CG-CG 4.05Å; K318-L323 PolarHBondContact O-N 2.83Å; W319-L323 HydrophobicContact CD2-CB 4.28Å; W319-L323 HydrophobicContact CE3-CB 3.5Å; W319-L323 HydrophobicContact CE3-CD1 4.04Å; W319-L323 HydrophobicContact CE3-CG 4.42Å; W319-L323 HydrophobicContact CZ3-CB 3.7Å; W319-L323 HydrophobicContact CZ3-CD1 4.35Å; W319-L323 PolarHBondContact O-N 3.21Å; L323-W325 VanDerWaalsContact C-N 3.26Å; L323-W325 PolarHBondContact O-N 3.12Å; L323-K326 HydrophobicContact CD2-CD 4.07Å; L323-K326 PolarHBondContact O-N 2.86Å; L323-H327 PolarHBondContact O-CD2 3.5Å; L323-H327 PolarHBondContact O-N 3.39Å |
| 324 | N | 86.7 | Confident | 87.7 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -52.1 | -49.1 | 176.8 | -173.2 | 56 | 0 | 0 | 0 | 111.4 | A293 V294 W319 Y322 S328 R369 | A293-N324 WeakPolarHBondContact CA-OD1 3.42Å; V294-N324 PolarHBondContact N-OD1 3.31Å; V294-N324 PolarHBondContact O-OD1 3.03Å; W319-N324 HydrophobicContact CD2-CB 4.47Å; W319-N324 HydrophobicContact CZ2-CB 4.35Å; W319-N324 WeakPolarHBondContact O-CB 3.41Å; W319-N324 PolarHBondContact O-N 3.4Å; Y322-N324 PolarHBondContact O-N 2.71Å; N324-S328 VanDerWaalsContact O-CB 3.29Å; N324-S328 WeakPolarHBondContact O-CB 3.31Å; N324-S328 PolarHBondContact O-N 2.77Å; N324-S328 PolarHBondContact O-OG 3.34Å; N324-R369 PolarHBondContact ND2-O 2.98Å |
| 325 | W | 88.3 | Confident | 87.4 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.8 | -41.7 | 178.3 | 170 | 87.9 | 0 | 0 | 0 | 113.5 | Y322 L323 H327 S328 G329 G330 A331 E332 R369 | Y322-W325 HydrophobicContact CD2-CE3 4.46Å; Y322-W325 HydrophobicContact CE2-CZ3 4.25Å; Y322-W325 PolarHBondContact O-N 3.4Å; L323-W325 VanDerWaalsContact C-N 3.26Å; L323-W325 PolarHBondContact O-N 3.12Å; W325-H327 VanDerWaalsContact C-N 3.32Å; W325-H327 PolarHBondContact O-N 3.26Å; W325-S328 PolarHBondContact O-N 2.73Å; W325-S328 PolarHBondContact O-OG 2.82Å; W325-G329 PolarHBondContact O-N 3Å; W325-G330 VanDerWaalsContact NE1-C 3.29Å; W325-G330 PolarHBondContact NE1-O 3.35Å; W325-G330 PolarHBondContact O-N 2.86Å; W325-A331 PolarHBondContact NE1-O 3.43Å; W325-E332 HydrophobicContact CZ2-CG 4.36Å; W325-R369 HydrophobicContact CB-CB 3.79Å; W325-R369 HydrophobicContact CB-CG 3.7Å; W325-R369 HydrophobicContact CD2-CG 4.34Å; W325-R369 HydrophobicContact CG-CB 4.29Å; W325-R369 HydrophobicContact CG-CG 3.66Å |
| 326 | K | 86.4 | Confident | 87 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 40% | 0.4 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 176.8 | 175.3 | -178.3 | 171.5 | 179.1 | 0 | 111.4 | E275 Y322 L323 | E275-K326 IonicContact OE2-NZ 3.8Å; E275-K326 PolarHBondContact OE2-NZ 3.12Å; Y322-K326 HydrophobicContact CD1-CD 4.49Å; Y322-K326 HydrophobicContact CE1-CD 3.67Å; Y322-K326 PolarHBondContact O-N 3.24Å; L323-K326 HydrophobicContact CD2-CD 4.07Å; L323-K326 PolarHBondContact O-N 2.86Å |
| 327 | H | 82.3 | Confident | 86.8 | Confident | 68 Ų | 68 | 52 Ų | 52 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -81.8 | -32.7 | -179.9 | -73.6 | -118.1 | 0 | 0 | 0 | 112.5 | Y283 G291 L323 W325 G329 | Y283-H327 WeakPolarHBondContact OH-CB 3.41Å; G291-H327 WeakPolarHBondContact CA-O 3.46Å; L323-H327 PolarHBondContact O-CD2 3.5Å; L323-H327 PolarHBondContact O-N 3.39Å; W325-H327 VanDerWaalsContact C-N 3.32Å; W325-H327 PolarHBondContact O-N 3.26Å; H327-G329 PolarHBondContact O-N 3.29Å |
| 328 | S | 80.6 | Confident | 86.6 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 8.1 | 178 | 78.2 | 0 | 0 | 0 | 0 | 114.7 | G291 N324 W325 G330 | G291-S328 WeakPolarHBondContact O-CA 3.42Å; N324-S328 VanDerWaalsContact O-CB 3.29Å; N324-S328 WeakPolarHBondContact O-CB 3.31Å; N324-S328 PolarHBondContact O-N 2.77Å; N324-S328 PolarHBondContact O-OG 3.34Å; W325-S328 PolarHBondContact O-N 2.73Å; W325-S328 PolarHBondContact O-OG 2.82Å; S328-G330 VanDerWaalsContact C-N 3.28Å; S328-G330 PolarHBondContact O-N 2.96Å |
| 329 | G | 79.6 | Confident | 86.1 | Confident | 69 Ų | 69 | 49.4 Ų | 49.4 | 71% | 0.711 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 33.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | W325 H327 | W325-G329 PolarHBondContact O-N 3Å; H327-G329 PolarHBondContact O-N 3.29Å |
| 330 | G | 80.7 | Confident | 85.8 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 152.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W325 S328 S366 | W325-G330 VanDerWaalsContact NE1-C 3.29Å; W325-G330 PolarHBondContact NE1-O 3.35Å; W325-G330 PolarHBondContact O-N 2.86Å; S328-G330 VanDerWaalsContact C-N 3.28Å; S328-G330 PolarHBondContact O-N 2.96Å; G330-S366 CarbonylContact C-O 3.41Å; G330-S366 VanDerWaalsContact CA-O 3.31Å; G330-S366 WeakPolarHBondContact CA-O 3.38Å |
| 331 | A | 85.8 | Confident | 85.7 | Confident | 39 Ų | 39 | 52 Ų | 52 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 155.3 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | W325 S366 | W325-A331 PolarHBondContact NE1-O 3.43Å; A331-S366 PolarHBondContact N-O 3.38Å |
| 332 | E | 86.8 | Confident | 85.4 | Confident | 158 Ų | 158 | 49.8 Ų | 49.8 | 74% | 0.738 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 146.1 | 171.5 | -63.4 | -151.6 | 131.9 | 0 | 0 | 111.6 | W325 | W325-E332 HydrophobicContact CZ2-CG 4.36Š|
| 333 | W | 89.2 | Confident | 85.1 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 119.9 | -178.4 | -178.9 | -75.6 | 0 | 0 | 0 | 111 | D337 D338 L341 W365 V368 W373 L374 | W333-D337 HydrophobicContact CD2-CB 3.52Å; W333-D337 VanDerWaalsContact CE2-CB 3.46Å; W333-D337 HydrophobicContact CE3-CB 3.73Å; W333-D337 HydrophobicContact CG-CB 4.07Å; W333-D337 HydrophobicContact CH2-CB 3.93Å; W333-D337 VanDerWaalsContact CZ2-C 3.48Å; W333-D337 HydrophobicContact CZ2-CB 3.72Å; W333-D337 WeakPolarHBondContact CZ2-O 3.21Å; W333-D337 HydrophobicContact CZ3-CB 3.91Å; W333-D338 VanDerWaalsContact NE1-CG 3.29Å; W333-D338 PolarHBondContact NE1-OD1 3.38Å; W333-L341 HydrophobicContact CH2-CB 4.23Å; W333-L341 HydrophobicContact CH2-CD2 4.18Å; W333-L341 HydrophobicContact CZ2-CB 4.29Å; W333-L341 HydrophobicContact CZ2-CD2 4.15Å; W333-W365 AromaticContact CH2-CH2 3.5Å; W333-W365 HydrophobicContact CH2-CH2 3.5Å; W333-W365 VanDerWaalsContact CH2-CH2 3.5Å; W333-W365 AromaticContact CH2-CZ2 3.54Å; W333-W365 HydrophobicContact CH2-CZ2 3.54Å; W333-W365 HydrophobicContact CH2-CZ3 4.21Å; W333-W365 HydrophobicContact CZ2-CH2 4.48Å; W333-W365 HydrophobicContact CZ2-CZ2 4.47Å; W333-W365 HydrophobicContact CZ3-CD2 4.48Å; W333-W365 AromaticContact CZ3-CE2 3.88Å; W333-W365 AromaticContact CZ3-CH2 3.92Å; W333-W365 HydrophobicContact CZ3-CH2 3.92Å; W333-W365 AromaticContact CZ3-CZ2 3.6Å; W333-W365 HydrophobicContact CZ3-CZ2 3.6Å; W333-W365 HydrophobicContact CZ3-CZ3 4.46Å; W333-V368 HydrophobicContact CZ3-CG2 3.87Å; W333-W373 HydrophobicContact CB-CH2 3.94Å; W333-W373 AromaticContact CD2-CH2 3.55Å; W333-W373 HydrophobicContact CD2-CH2 3.55Å; W333-W373 AromaticContact CD2-CZ3 3.98Å; W333-W373 HydrophobicContact CD2-CZ3 3.98Å; W333-W373 AromaticContact CE3-CH2 3.5Å; W333-W373 HydrophobicContact CE3-CH2 3.5Å; W333-W373 VanDerWaalsContact CE3-CH2 3.5Å; W333-W373 AromaticContact CE3-CZ3 3.48Å; W333-W373 HydrophobicContact CE3-CZ3 3.48Å; W333-W373 VanDerWaalsContact CE3-CZ3 3.48Å; W333-W373 AromaticContact CG-CH2 3.77Å; W333-W373 HydrophobicContact CG-CH2 3.77Å; W333-W373 HydrophobicContact CH2-CZ3 4.48Å; W333-W373 HydrophobicContact CZ3-CH2 4.24Å; W333-W373 AromaticContact CZ3-CZ3 3.79Å; W333-W373 HydrophobicContact CZ3-CZ3 3.79Å; W333-L374 HydrophobicContact CH2-CD1 3.58Å; W333-L374 HydrophobicContact CZ3-CD1 3.9Å |
| 334 | T | 89.6 | Confident | 85.1 | Confident | 70 Ų | 70 | 54 Ų | 54 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | trans | -98.8 | 175 | -174.6 | 71.7 | 0 | 0 | 0 | 0 | 112.9 | E336 D337 D338 | T334-E336 VanDerWaalsContact C-N 3.29Å; T334-E336 PolarHBondContact OG1-N 3.23Å; T334-D337 WeakPolarHBondContact CB-OD2 3.32Å; T334-D337 PolarHBondContact N-OD2 2.77Å; T334-D337 WeakPolarHBondContact O-CB 3.09Å; T334-D337 PolarHBondContact O-N 3.32Å; T334-D337 PolarHBondContact OG1-N 3.16Å; T334-D337 VanDerWaalsContact OG1-N 3.1Å; T334-D337 PolarHBondContact OG1-OD2 3.33Å; T334-D338 PolarHBondContact O-N 3.37Å | ||
| 335 | K | 83.5 | Confident | 85.1 | Confident | 121 Ų | 121 | 53.9 Ų | 53.9 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.9 | -30.2 | 168.6 | -69.4 | -174.7 | 178.4 | -178.7 | 0 | 112.5 | D337 D338 L339 | K335-D337 VanDerWaalsContact C-N 3.31Å; K335-D338 PolarHBondContact O-N 3.12Å; K335-L339 PolarHBondContact O-N 2.82Å |
| 336 | E | 84.3 | Confident | 84.7 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.4 | -32.6 | 174.4 | -172 | 58.7 | -149.9 | 0 | 0 | 110.5 | T334 D338 L339 N340 R343 | T334-E336 VanDerWaalsContact C-N 3.29Å; T334-E336 PolarHBondContact OG1-N 3.23Å; E336-D338 VanDerWaalsContact C-N 3.34Å; E336-D338 PolarHBondContact O-N 3.31Å; E336-L339 PolarHBondContact O-N 3.39Å; E336-N340 WeakPolarHBondContact O-CB 3.38Å; E336-N340 PolarHBondContact O-N 3.48Å; E336-R343 IonicContact OE1-CZ 3.04Å; E336-R343 IonicContact OE1-NH1 2.7Å; E336-R343 PolarHBondContact OE1-NH1 3.18Å |
| 337 | D | 88.1 | Confident | 84.4 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 9% | 0.086 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 171.6 | -64.5 | -82.5 | 0 | 0 | 0 | 112.3 | W333 T334 K335 N340 L341 W365 S367 | W333-D337 HydrophobicContact CD2-CB 3.52Å; W333-D337 VanDerWaalsContact CE2-CB 3.46Å; W333-D337 HydrophobicContact CE3-CB 3.73Å; W333-D337 HydrophobicContact CG-CB 4.07Å; W333-D337 HydrophobicContact CH2-CB 3.93Å; W333-D337 VanDerWaalsContact CZ2-C 3.48Å; W333-D337 HydrophobicContact CZ2-CB 3.72Å; W333-D337 WeakPolarHBondContact CZ2-O 3.21Å; W333-D337 HydrophobicContact CZ3-CB 3.91Å; T334-D337 WeakPolarHBondContact CB-OD2 3.32Å; T334-D337 PolarHBondContact N-OD2 2.77Å; T334-D337 WeakPolarHBondContact O-CB 3.09Å; T334-D337 PolarHBondContact O-N 3.32Å; T334-D337 PolarHBondContact OG1-N 3.16Å; T334-D337 VanDerWaalsContact OG1-N 3.1Å; T334-D337 PolarHBondContact OG1-OD2 3.33Å; K335-D337 VanDerWaalsContact C-N 3.31Å; D337-N340 PolarHBondContact O-N 3.18Å; D337-L341 WeakPolarHBondContact O-CB 3.13Å; D337-L341 PolarHBondContact O-N 2.88Å; D337-W365 HydrophobicContact CB-CZ2 3.86Å; D337-W365 PolarHBondContact OD1-NE1 3.23Å; D337-S367 WeakPolarHBondContact OD1-CB 3.15Å; D337-S367 PolarHBondContact OD1-OG 3.32Å |
| 338 | D | 85.9 | Confident | 84.4 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 171.7 | -67.2 | -44.4 | 0 | 0 | 0 | 110.6 | W333 T334 K335 E336 L341 L342 K377 I381 M407 | W333-D338 VanDerWaalsContact NE1-CG 3.29Å; W333-D338 PolarHBondContact NE1-OD1 3.38Å; T334-D338 PolarHBondContact O-N 3.37Å; K335-D338 PolarHBondContact O-N 3.12Å; E336-D338 VanDerWaalsContact C-N 3.34Å; E336-D338 PolarHBondContact O-N 3.31Å; D338-L341 WeakPolarHBondContact O-CB 3.42Å; D338-L341 PolarHBondContact O-N 3.28Å; D338-L342 WeakPolarHBondContact O-CG 3.36Å; D338-L342 PolarHBondContact O-N 3.28Å; D338-K377 IonicContact OD1-NZ 3.42Å; D338-K377 PolarHBondContact OD1-NZ 3.19Å; D338-K377 IonicContact OD2-NZ 3.59Å; D338-I381 HydrophobicContact CB-CD1 3.99Å; D338-I381 WeakPolarHBondContact OD1-CD1 3.29Å; D338-M407 HydrophobicContact CB-CE 4.13Å |
| 339 | L | 81.8 | Confident | 83.8 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 174.2 | -65.9 | -177.2 | 0 | 0 | 0 | 112.9 | K335 E336 L341 L342 R343 E404 M407 | K335-L339 PolarHBondContact O-N 2.82Å; E336-L339 PolarHBondContact O-N 3.39Å; L339-L341 VanDerWaalsContact C-N 3.28Å; L339-L341 PolarHBondContact O-N 3.23Å; L339-L342 HydrophobicContact CD2-CD1 4.25Å; L339-L342 WeakPolarHBondContact O-CB 3.11Å; L339-L342 PolarHBondContact O-N 3.02Å; L339-R343 WeakPolarHBondContact O-CG 3.5Å; L339-R343 PolarHBondContact O-N 3.08Å; L339-E404 HydrophobicContact CD2-CG 3.67Å; L339-M407 HydrophobicContact CD2-CE 4.25Å; L339-M407 HydrophobicContact CD2-SD 3.57Å; L339-M407 VanDerWaalsContact CD2-SD 3.57Å; L339-M407 HydrophobicContact CG-SD 3.86Å |
| 340 | N | 87.4 | Confident | 83.6 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 33% | 0.326 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 177.2 | -132.8 | -45.5 | 0 | 0 | 0 | 111.1 | E336 D337 R343 R344 W365 | E336-N340 WeakPolarHBondContact O-CB 3.38Å; E336-N340 PolarHBondContact O-N 3.48Å; D337-N340 PolarHBondContact O-N 3.18Å; N340-R343 PolarHBondContact O-N 3.26Å; N340-R344 WeakPolarHBondContact O-CB 3.37Å; N340-R344 WeakPolarHBondContact O-CG 3.45Å; N340-R344 PolarHBondContact O-N 3.29Å; N340-W365 HydrophobicContact CB-CH2 4.15Å; N340-W365 HydrophobicContact CB-CZ2 3.96Å |
| 341 | L | 88.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 174.6 | -177.6 | 52.5 | 0 | 0 | 0 | 111.1 | W333 D337 D338 L339 R344 I345 W365 L374 K377 W378 I381 | W333-L341 HydrophobicContact CH2-CB 4.23Å; W333-L341 HydrophobicContact CH2-CD2 4.18Å; W333-L341 HydrophobicContact CZ2-CB 4.29Å; W333-L341 HydrophobicContact CZ2-CD2 4.15Å; D337-L341 WeakPolarHBondContact O-CB 3.13Å; D337-L341 PolarHBondContact O-N 2.88Å; D338-L341 WeakPolarHBondContact O-CB 3.42Å; D338-L341 PolarHBondContact O-N 3.28Å; L339-L341 VanDerWaalsContact C-N 3.28Å; L339-L341 PolarHBondContact O-N 3.23Å; L341-R344 PolarHBondContact O-N 2.77Å; L341-I345 HydrophobicContact CD1-CD1 3.72Å; L341-I345 HydrophobicContact CD1-CG1 4.08Å; L341-I345 HydrophobicContact CG-CD1 3.9Å; L341-I345 WeakPolarHBondContact O-CB 3.29Å; L341-I345 VanDerWaalsContact O-CG1 3.28Å; L341-I345 WeakPolarHBondContact O-CG1 3.4Å; L341-I345 PolarHBondContact O-N 3.44Å; L341-W365 HydrophobicContact CB-CH2 3.85Å; L341-W365 HydrophobicContact CB-CZ3 4.46Å; L341-W365 HydrophobicContact CD1-CH2 4.41Å; L341-W365 HydrophobicContact CD1-CZ3 4.19Å; L341-L374 HydrophobicContact CD1-CD1 3.7Å; L341-L374 HydrophobicContact CD1-CD2 4.18Å; L341-L374 HydrophobicContact CD1-CG 3.86Å; L341-L374 HydrophobicContact CD2-CD1 3.86Å; L341-L374 HydrophobicContact CG-CD1 4.37Å; L341-K377 HydrophobicContact CD2-CB 4.31Å; L341-W378 HydrophobicContact CD2-CB 4.18Å; L341-I381 HydrophobicContact CD2-CD1 3.95Å |
| 342 | L | 83.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 177 | -62.7 | 172.8 | 0 | 0 | 0 | 111.5 | D338 L339 I345 S346 W378 I381 L400 L403 | D338-L342 WeakPolarHBondContact O-CG 3.36Å; D338-L342 PolarHBondContact O-N 3.28Å; L339-L342 HydrophobicContact CD2-CD1 4.25Å; L339-L342 WeakPolarHBondContact O-CB 3.11Å; L339-L342 PolarHBondContact O-N 3.02Å; L342-I345 PolarHBondContact O-N 2.99Å; L342-S346 WeakPolarHBondContact O-CB 3.35Å; L342-S346 PolarHBondContact O-N 3.08Å; L342-W378 HydrophobicContact CD2-CE3 4.12Å; L342-W378 HydrophobicContact CD2-CZ3 3.64Å; L342-I381 HydrophobicContact CD2-CG2 4.05Å; L342-L400 HydrophobicContact CB-CD2 3.42Å; L342-L400 VanDerWaalsContact CB-CD2 3.42Å; L342-L400 HydrophobicContact CB-CG 3.8Å; L342-L400 HydrophobicContact CD1-CD2 4.16Å; L342-L400 HydrophobicContact CG-CD2 4.41Å; L342-L403 HydrophobicContact CD1-CB 3.93Å; L342-L403 HydrophobicContact CD1-CD1 3.66Å; L342-L403 HydrophobicContact CD1-CG 4.42Å; L342-L403 HydrophobicContact CD2-CD1 3.95Å; L342-L403 HydrophobicContact CG-CD1 4.46Å |
| 343 | R | 82.5 | Confident | 81.3 | Confident | 100 Ų | 100 | 60.3 Ų | 60.3 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 177.5 | -68.1 | 175.2 | -166.8 | 141.6 | 6.9 | 111.9 | E336 L339 N340 S346 S347 L400 E404 | E336-R343 IonicContact OE1-CZ 3.04Å; E336-R343 IonicContact OE1-NH1 2.7Å; E336-R343 PolarHBondContact OE1-NH1 3.18Å; L339-R343 WeakPolarHBondContact O-CG 3.5Å; L339-R343 PolarHBondContact O-N 3.08Å; N340-R343 PolarHBondContact O-N 3.26Å; R343-S346 PolarHBondContact O-N 3.07Å; R343-S347 PolarHBondContact O-N 3.08Å; R343-L400 HydrophobicContact CG-CD2 4.21Å; R343-E404 IonicContact CZ-OE1 2.96Å; R343-E404 IonicContact NE-OE1 3.31Å; R343-E404 PolarHBondContact NE-OE1 3.03Å; R343-E404 IonicContact NH2-OE1 2.82Å; R343-E404 PolarHBondContact NH2-OE1 3.32Å |
| 344 | R | 87.4 | Confident | 80.5 | Confident | 73 Ų | 73 | 60.5 Ų | 60.5 | 28% | 0.275 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 174.7 | -75.1 | -173.6 | -173.9 | -148.7 | -0.8 | 111.5 | N340 L341 S346 S347 V348 L361 | N340-R344 WeakPolarHBondContact O-CB 3.37Å; N340-R344 WeakPolarHBondContact O-CG 3.45Å; N340-R344 PolarHBondContact O-N 3.29Å; L341-R344 PolarHBondContact O-N 2.77Å; R344-S346 VanDerWaalsContact C-N 3.33Å; R344-S346 PolarHBondContact O-N 3.38Å; R344-S347 WeakPolarHBondContact O-CB 3.03Å; R344-S347 PolarHBondContact O-N 3.13Å; R344-S347 VanDerWaalsContact O-N 3.1Å; R344-S347 PolarHBondContact O-OG 3.01Å; R344-V348 PolarHBondContact O-N 3.2Å; R344-L361 HydrophobicContact CB-CD2 3.81Å; R344-L361 PolarHBondContact NH1-O 2.57Å |
| 345 | I | 85 | Confident | 79.8 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 177.6 | -69.6 | 170.5 | 0 | 0 | 0 | 110.7 | L341 L342 S347 V348 I356 W358 L361 W378 F393 V396 | L341-I345 HydrophobicContact CD1-CD1 3.72Å; L341-I345 HydrophobicContact CD1-CG1 4.08Å; L341-I345 HydrophobicContact CG-CD1 3.9Å; L341-I345 WeakPolarHBondContact O-CB 3.29Å; L341-I345 VanDerWaalsContact O-CG1 3.28Å; L341-I345 WeakPolarHBondContact O-CG1 3.4Å; L341-I345 PolarHBondContact O-N 3.44Å; L342-I345 PolarHBondContact O-N 2.99Å; I345-S347 VanDerWaalsContact C-N 3.26Å; I345-S347 PolarHBondContact O-N 3.33Å; I345-V348 PolarHBondContact O-N 3.44Å; I345-V348 VanDerWaalsContact O-N 3.14Å; I345-I356 HydrophobicContact CG2-CD1 4.27Å; I345-W358 HydrophobicContact CD1-CH2 3.93Å; I345-W358 HydrophobicContact CD1-CZ3 4.17Å; I345-L361 HydrophobicContact CG1-CD1 3.93Å; I345-W378 HydrophobicContact CD1-CB 4.11Å; I345-W378 HydrophobicContact CD1-CD2 3.7Å; I345-W378 HydrophobicContact CD1-CE3 3.64Å; I345-W378 HydrophobicContact CD1-CG 3.91Å; I345-W378 HydrophobicContact CD1-CZ3 4.36Å; I345-F393 HydrophobicContact CG2-CE2 3.93Å; I345-F393 HydrophobicContact CG2-CZ 3.73Å; I345-V396 HydrophobicContact CG2-CG1 4.29Å |
| 346 | S | 79.9 | Confident | 79.8 | Confident | 48 Ų | 48 | 54.9 Ų | 54.9 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.3 | -19.9 | 176.9 | -169.1 | 0 | 0 | 0 | 0 | 114.5 | L342 R343 R344 | L342-S346 WeakPolarHBondContact O-CB 3.35Å; L342-S346 PolarHBondContact O-N 3.08Å; R343-S346 PolarHBondContact O-N 3.07Å; R344-S346 VanDerWaalsContact C-N 3.33Å; R344-S346 PolarHBondContact O-N 3.38Å |
| 347 | S | 80.9 | Confident | 79.8 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 60% | 0.601 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -79.8 | -25.2 | 172.6 | 78.3 | 0 | 0 | 0 | 0 | 112.8 | R343 R344 I345 K349 | R343-S347 PolarHBondContact O-N 3.08Å; R344-S347 WeakPolarHBondContact O-CB 3.03Å; R344-S347 PolarHBondContact O-N 3.13Å; R344-S347 VanDerWaalsContact O-N 3.1Å; R344-S347 PolarHBondContact O-OG 3.01Å; I345-S347 VanDerWaalsContact C-N 3.26Å; I345-S347 PolarHBondContact O-N 3.33Å; S347-K349 PolarHBondContact O-N 3.5Å; S347-K349 VanDerWaalsContact O-N 3.07Å |
| 348 | V | 82.3 | Confident | 79.9 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 28% | 0.279 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -77.7 | 93.6 | 174.6 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | R344 I345 V350 L361 | R344-V348 PolarHBondContact O-N 3.2Å; I345-V348 PolarHBondContact O-N 3.44Å; I345-V348 VanDerWaalsContact O-N 3.14Å; V348-V350 HydrophobicContact CG1-CB 4.01Å; V348-V350 HydrophobicContact CG1-CG2 3.51Å; V348-V350 PolarHBondContact O-N 3.45Å; V348-L361 HydrophobicContact CG2-CD2 3.85Å; V348-L361 HydrophobicContact CG2-CG 4.5Å |
| 349 | K | 68.8 | Low | 79.9 | Confident | 211 Ų | 211 | 60.1 Ų | 60.1 | 92% | 0.917 | 30% | 0.295 | S | S | * | . | trans | -67 | 80.3 | 175.9 | -66 | -173.9 | -179.8 | -176.4 | 0 | 111 | S347 | S347-K349 PolarHBondContact O-N 3.5Å; S347-K349 VanDerWaalsContact O-N 3.07Å | ||
| 350 | V | 75.3 | Confident | 80.1 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | trans | -127.7 | 143.8 | -180 | 161.4 | 0 | 0 | 0 | 0 | 108.7 | V348 D352 D355 F393 | V348-V350 HydrophobicContact CG1-CB 4.01Å; V348-V350 HydrophobicContact CG1-CG2 3.51Å; V348-V350 PolarHBondContact O-N 3.45Å; V350-D352 WeakPolarHBondContact CG1-O 3.3Å; V350-D355 HydrophobicContact CG1-CB 3.57Å; V350-F393 WeakPolarHBondContact O-CD1 3.28Å; V350-F393 VanDerWaalsContact O-CE1 3.23Å; V350-F393 WeakPolarHBondContact O-CE1 3.47Å | ||
| 351 | E | 63.4 | Low | 80.1 | Confident | 192 Ų | 192 | 62 Ų | 62 | 90% | 0.897 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -85.7 | -29.3 | -174.7 | -60.4 | 176.2 | 166.5 | 0 | 0 | 112.9 | ||
| 352 | D | 66.5 | Low | 80.1 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -124.7 | 131.6 | -174.9 | -168.8 | -42.6 | 0 | 0 | 0 | 111.1 | K146 V350 N354 D355 | K146-D352 IonicContact NZ-OD2 2.71Å; K146-D352 PolarHBondContact NZ-OD2 3.09Å; V350-D352 WeakPolarHBondContact CG1-O 3.3Å; D352-N354 PolarHBondContact O-N 2.58Å; D352-N354 WeakPolarHBondContact OD1-CB 3.34Å; D352-N354 PolarHBondContact OD1-N 3.04Å; D352-N354 PolarHBondContact OD1-ND2 3Å; D352-D355 PolarHBondContact O-N 3.21Å |
| 353 | E | 73.6 | Confident | 80.2 | Confident | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.065 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19.6 | 178.7 | -156.1 | -163.5 | 116.9 | 0 | 0 | 113.6 | I356 W378 W379 K382 F393 | E353-I356 HydrophobicContact CB-CD1 4.42Å; E353-I356 HydrophobicContact CG-CD1 3.71Å; E353-I356 WeakPolarHBondContact O-CG1 3.2Å; E353-W378 PolarHBondContact OE1-NE1 2.97Å; E353-W378 PolarHBondContact OE2-NE1 3.19Å; E353-W379 VanDerWaalsContact OE1-CE2 3.22Å; E353-W379 WeakPolarHBondContact OE1-CZ2 3.45Å; E353-W379 PolarHBondContact OE1-NE1 2.95Å; E353-K382 IonicContact OE2-NZ 2.71Å; E353-K382 PolarHBondContact OE2-NZ 3.01Å; E353-F393 HydrophobicContact CB-CD2 3.84Å; E353-F393 HydrophobicContact CB-CE2 4.19Å; E353-F393 HydrophobicContact CB-CG 4.39Å; E353-F393 HydrophobicContact CG-CD2 3.89Å; E353-F393 HydrophobicContact CG-CE2 3.87Å |
| 354 | N | 72.3 | Confident | 80.2 | Confident | 42 Ų | 42 | 71.9 Ų | 71.9 | 23% | 0.225 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -22.3 | 176.5 | -64.1 | -75.6 | 0 | 0 | 0 | 114 | M149 D352 I356 R375 | M149-N354 VanDerWaalsContact CB-OD1 3.25Å; M149-N354 WeakPolarHBondContact CB-OD1 3.21Å; D352-N354 PolarHBondContact O-N 2.58Å; D352-N354 WeakPolarHBondContact OD1-CB 3.34Å; D352-N354 PolarHBondContact OD1-N 3.04Å; D352-N354 PolarHBondContact OD1-ND2 3Å; N354-I356 VanDerWaalsContact C-N 3.29Å; N354-R375 PolarHBondContact OD1-NH2 3.43Å |
| 355 | D | 76.4 | Confident | 80.2 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 35% | 0.353 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -84.7 | -1.7 | 176.5 | -81.3 | -63.6 | 0 | 0 | 0 | 113 | R144 V350 D352 K357 | R144-D355 IonicContact CZ-OD1 2.75Å; R144-D355 IonicContact NH2-OD1 3.06Å; R144-D355 PolarHBondContact NH2-OD1 3.3Å; V350-D355 HydrophobicContact CG1-CB 3.57Å; D352-D355 PolarHBondContact O-N 3.21Å; D355-K357 PolarHBondContact O-N 2.88Å |
| 356 | I | 82.8 | Confident | 80 | Confident | 8 Ų | 8 | 73.1 Ų | 73.1 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | trans | -64.7 | 117 | 171.4 | -59 | 174.8 | 0 | 0 | 0 | 109.9 | I345 E353 N354 W358 L361 F393 | I345-I356 HydrophobicContact CG2-CD1 4.27Å; E353-I356 HydrophobicContact CB-CD1 4.42Å; E353-I356 HydrophobicContact CG-CD1 3.71Å; E353-I356 WeakPolarHBondContact O-CG1 3.2Å; N354-I356 VanDerWaalsContact C-N 3.29Å; I356-W358 HydrophobicContact CB-CZ2 4.07Å; I356-W358 HydrophobicContact CD1-CH2 4.29Å; I356-W358 HydrophobicContact CD1-CZ2 3.82Å; I356-W358 HydrophobicContact CG2-CD2 3.96Å; I356-W358 HydrophobicContact CG2-CE3 4.43Å; I356-W358 HydrophobicContact CG2-CG 4.37Å; I356-W358 HydrophobicContact CG2-CH2 4.23Å; I356-W358 HydrophobicContact CG2-CZ2 3.75Å; I356-W358 PolarHBondContact O-N 3.33Å; I356-W358 PolarHBondContact O-NE1 3.05Å; I356-L361 HydrophobicContact CG2-CD1 3.36Å; I356-L361 HydrophobicContact CG2-CG 4.37Å; I356-F393 HydrophobicContact CD1-CE2 3.73Å; I356-F393 HydrophobicContact CD1-CZ 3.63Å; I356-F393 HydrophobicContact CG1-CZ 4.17Å | ||
| 357 | K | 85.1 | Confident | 80.4 | Confident | 131 Ų | 131 | 71.3 Ų | 71.3 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | trans | -79 | 102.4 | 168.3 | -65.6 | 179.6 | 178.1 | -177.8 | 0 | 110.2 | D355 E359 D360 L361 | D355-K357 PolarHBondContact O-N 2.88Å; K357-E359 VanDerWaalsContact C-N 3.27Å; K357-E359 PolarHBondContact O-N 3.14Å; K357-D360 HydrophobicContact CB-CB 4.07Å; K357-D360 WeakPolarHBondContact CD-OD2 3.39Å; K357-D360 IonicContact NZ-OD2 3.77Å; K357-L361 PolarHBondContact O-N 3.23Å | ||
| 358 | W | 88.3 | Confident | 80.7 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 4% | 0.038 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.8 | -25 | -177.8 | -65 | 89.1 | 0 | 0 | 0 | 112.3 | I345 I356 L361 A362 P371 L374 R375 W378 | I345-W358 HydrophobicContact CD1-CH2 3.93Å; I345-W358 HydrophobicContact CD1-CZ3 4.17Å; I356-W358 HydrophobicContact CB-CZ2 4.07Å; I356-W358 HydrophobicContact CD1-CH2 4.29Å; I356-W358 HydrophobicContact CD1-CZ2 3.82Å; I356-W358 HydrophobicContact CG2-CD2 3.96Å; I356-W358 HydrophobicContact CG2-CE3 4.43Å; I356-W358 HydrophobicContact CG2-CG 4.37Å; I356-W358 HydrophobicContact CG2-CH2 4.23Å; I356-W358 HydrophobicContact CG2-CZ2 3.75Å; I356-W358 PolarHBondContact O-N 3.33Å; I356-W358 PolarHBondContact O-NE1 3.05Å; W358-L361 HydrophobicContact CE3-CD1 4.16Å; W358-L361 HydrophobicContact CZ3-CD1 4.19Å; W358-A362 WeakPolarHBondContact O-CB 3.47Å; W358-A362 PolarHBondContact O-N 3.01Å; W358-P371 HydrophobicContact CB-CB 3.79Å; W358-L374 HydrophobicContact CE3-CB 4.24Å; W358-L374 HydrophobicContact CE3-CD2 4.41Å; W358-L374 HydrophobicContact CE3-CG 4.14Å; W358-L374 HydrophobicContact CZ3-CG 4.31Å; W358-R375 HydrophobicContact CD2-CB 3.6Å; W358-R375 HydrophobicContact CD2-CG 4.05Å; W358-R375 HydrophobicContact CE3-CB 3.85Å; W358-R375 HydrophobicContact CG-CB 4.04Å; W358-R375 HydrophobicContact CH2-CB 4.43Å; W358-R375 HydrophobicContact CH2-CG 4.42Å; W358-R375 HydrophobicContact CZ2-CB 4.19Å; W358-R375 HydrophobicContact CZ2-CG 3.86Å; W358-R375 HydrophobicContact CZ3-CB 4.26Å; W358-W378 HydrophobicContact CH2-CB 3.61Å; W358-W378 AromaticContact CH2-CD1 3.49Å; W358-W378 VanDerWaalsContact CH2-CD1 3.49Å; W358-W378 AromaticContact CH2-CG 3.63Å; W358-W378 HydrophobicContact CH2-CG 3.63Å; W358-W378 AromaticContact CZ2-CD1 3.92Å; W358-W378 HydrophobicContact CZ2-CG 4.48Å; W358-W378 HydrophobicContact CZ3-CB 3.93Å; W358-W378 HydrophobicContact CZ3-CG 4.42Å |
| 359 | E | 86.1 | Confident | 81 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.2 | -52.2 | 173.9 | -68.4 | 63.1 | -146.7 | 0 | 0 | 110.7 | K357 L361 A362 W363 P371 Q372 | K357-E359 VanDerWaalsContact C-N 3.27Å; K357-E359 PolarHBondContact O-N 3.14Å; E359-L361 PolarHBondContact O-N 3.48Å; E359-A362 PolarHBondContact O-N 3.37Å; E359-W363 PolarHBondContact O-N 2.9Å; E359-P371 HydrophobicContact CB-CG 4.46Å; E359-P371 HydrophobicContact CG-CB 4.29Å; E359-P371 HydrophobicContact CG-CG 4.03Å; E359-P371 WeakPolarHBondContact OE1-CB 3.26Å; E359-Q372 PolarHBondContact OE1-NE2 3.14Å |
| 360 | D | 86.8 | Confident | 81.9 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 177.7 | -59.4 | 5.3 | 0 | 0 | 0 | 111.1 | K357 A362 W363 | K357-D360 HydrophobicContact CB-CB 4.07Å; K357-D360 WeakPolarHBondContact CD-OD2 3.39Å; K357-D360 IonicContact NZ-OD2 3.77Å; D360-A362 VanDerWaalsContact C-N 3.34Å; D360-A362 PolarHBondContact O-N 2.77Å; D360-W363 WeakPolarHBondContact O-CB 3.26Å; D360-W363 PolarHBondContact O-N 2.83Å |
| 361 | L | 87.5 | Confident | 82.6 | Confident | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -34.3 | 176.7 | -81.2 | -179.2 | 0 | 0 | 0 | 113.9 | R344 I345 V348 I356 K357 W358 E359 W363 L374 | R344-L361 HydrophobicContact CB-CD2 3.81Å; R344-L361 PolarHBondContact NH1-O 2.57Å; I345-L361 HydrophobicContact CG1-CD1 3.93Å; V348-L361 HydrophobicContact CG2-CD2 3.85Å; V348-L361 HydrophobicContact CG2-CG 4.5Å; I356-L361 HydrophobicContact CG2-CD1 3.36Å; I356-L361 HydrophobicContact CG2-CG 4.37Å; K357-L361 PolarHBondContact O-N 3.23Å; W358-L361 HydrophobicContact CE3-CD1 4.16Å; W358-L361 HydrophobicContact CZ3-CD1 4.19Å; E359-L361 PolarHBondContact O-N 3.48Å; L361-W363 VanDerWaalsContact C-N 3.33Å; L361-L374 HydrophobicContact CB-CD2 4.08Å |
| 362 | A | 87.3 | Confident | 83.7 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -79.6 | -14.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W358 E359 D360 G364 W365 V368 P371 L374 | W358-A362 WeakPolarHBondContact O-CB 3.47Å; W358-A362 PolarHBondContact O-N 3.01Å; E359-A362 PolarHBondContact O-N 3.37Å; D360-A362 VanDerWaalsContact C-N 3.34Å; D360-A362 PolarHBondContact O-N 2.77Å; A362-G364 PolarHBondContact O-N 3.45Å; A362-W365 PolarHBondContact O-N 3.04Å; A362-V368 HydrophobicContact CB-CB 4.47Å; A362-V368 HydrophobicContact CB-CG1 3.73Å; A362-P371 HydrophobicContact CB-CG 4.1Å; A362-L374 HydrophobicContact CB-CD2 4.1Å |
| 363 | W | 85.3 | Confident | 84.9 | Confident | 214 Ų | 214 | 51.2 Ų | 51.2 | 81% | 0.811 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 137.1 | -175.2 | -170.3 | -92.4 | 0 | 0 | 0 | 112.3 | E359 D360 L361 W365 | E359-W363 PolarHBondContact O-N 2.9Å; D360-W363 WeakPolarHBondContact O-CB 3.26Å; D360-W363 PolarHBondContact O-N 2.83Å; L361-W363 VanDerWaalsContact C-N 3.33Å; W363-W365 PolarHBondContact O-N 3.16Å; W363-W365 VanDerWaalsContact O-N 3.12Å |
| 364 | G | 82.4 | Confident | 85.7 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 79% | 0.794 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | A362 | A362-G364 PolarHBondContact O-N 3.45Š|
| 365 | W | 87.2 | Confident | 86.5 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | trans | -107.2 | 96.8 | -172.2 | -165.5 | -2.1 | 0 | 0 | 0 | 111.6 | W333 D337 N340 L341 A362 W363 S367 V368 L374 | W333-W365 AromaticContact CH2-CH2 3.5Å; W333-W365 HydrophobicContact CH2-CH2 3.5Å; W333-W365 VanDerWaalsContact CH2-CH2 3.5Å; W333-W365 AromaticContact CH2-CZ2 3.54Å; W333-W365 HydrophobicContact CH2-CZ2 3.54Å; W333-W365 HydrophobicContact CH2-CZ3 4.21Å; W333-W365 HydrophobicContact CZ2-CH2 4.48Å; W333-W365 HydrophobicContact CZ2-CZ2 4.47Å; W333-W365 HydrophobicContact CZ3-CD2 4.48Å; W333-W365 AromaticContact CZ3-CE2 3.88Å; W333-W365 AromaticContact CZ3-CH2 3.92Å; W333-W365 HydrophobicContact CZ3-CH2 3.92Å; W333-W365 AromaticContact CZ3-CZ2 3.6Å; W333-W365 HydrophobicContact CZ3-CZ2 3.6Å; W333-W365 HydrophobicContact CZ3-CZ3 4.46Å; D337-W365 HydrophobicContact CB-CZ2 3.86Å; D337-W365 PolarHBondContact OD1-NE1 3.23Å; N340-W365 HydrophobicContact CB-CH2 4.15Å; N340-W365 HydrophobicContact CB-CZ2 3.96Å; L341-W365 HydrophobicContact CB-CH2 3.85Å; L341-W365 HydrophobicContact CB-CZ3 4.46Å; L341-W365 HydrophobicContact CD1-CH2 4.41Å; L341-W365 HydrophobicContact CD1-CZ3 4.19Å; A362-W365 PolarHBondContact O-N 3.04Å; W363-W365 PolarHBondContact O-N 3.16Å; W363-W365 VanDerWaalsContact O-N 3.12Å; W365-S367 PolarHBondContact O-N 3.47Å; W365-S367 VanDerWaalsContact O-N 3.17Å; W365-V368 HydrophobicContact CB-CB 4.39Å; W365-V368 HydrophobicContact CB-CG2 3.72Å; W365-V368 HydrophobicContact CD2-CG2 3.39Å; W365-V368 HydrophobicContact CE3-CG2 3.45Å; W365-V368 VanDerWaalsContact CE3-CG2 3.45Å; W365-V368 HydrophobicContact CG-CG2 3.53Å; W365-V368 HydrophobicContact CZ3-CG2 4.21Å; W365-V368 WeakPolarHBondContact O-CB 3.34Å; W365-V368 PolarHBondContact O-N 3.38Å; W365-L374 HydrophobicContact CE3-CD2 4.48Å; W365-L374 HydrophobicContact CZ3-CD1 4.21Å; W365-L374 HydrophobicContact CZ3-CD2 4.34Å | ||
| 366 | S | 82.4 | Confident | 87.1 | Confident | 78 Ų | 78 | 52 Ų | 52 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.2 | -174 | 52.2 | 0 | 0 | 0 | 0 | 115.2 | G330 A331 V368 | G330-S366 CarbonylContact C-O 3.41Å; G330-S366 VanDerWaalsContact CA-O 3.31Å; G330-S366 WeakPolarHBondContact CA-O 3.38Å; A331-S366 PolarHBondContact N-O 3.38Å; S366-V368 VanDerWaalsContact C-N 3.28Å |
| 367 | S | 87 | Confident | 87.4 | Confident | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.7 | 172.7 | -38.3 | 0 | 0 | 0 | 0 | 113.1 | D337 W365 | D337-S367 WeakPolarHBondContact OD1-CB 3.15Å; D337-S367 PolarHBondContact OD1-OG 3.32Å; W365-S367 PolarHBondContact O-N 3.47Å; W365-S367 VanDerWaalsContact O-N 3.17Å |
| 368 | V | 88.4 | Confident | 87.5 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | trans | -84.4 | 123.3 | -176.3 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | W333 A362 W365 S366 S370 W373 L374 | W333-V368 HydrophobicContact CZ3-CG2 3.87Å; A362-V368 HydrophobicContact CB-CB 4.47Å; A362-V368 HydrophobicContact CB-CG1 3.73Å; W365-V368 HydrophobicContact CB-CB 4.39Å; W365-V368 HydrophobicContact CB-CG2 3.72Å; W365-V368 HydrophobicContact CD2-CG2 3.39Å; W365-V368 HydrophobicContact CE3-CG2 3.45Å; W365-V368 VanDerWaalsContact CE3-CG2 3.45Å; W365-V368 HydrophobicContact CG-CG2 3.53Å; W365-V368 HydrophobicContact CZ3-CG2 4.21Å; W365-V368 WeakPolarHBondContact O-CB 3.34Å; W365-V368 PolarHBondContact O-N 3.38Å; S366-V368 VanDerWaalsContact C-N 3.28Å; V368-S370 WeakPolarHBondContact CG1-O 3.48Å; V368-W373 HydrophobicContact CG1-CE3 4.46Å; V368-L374 HydrophobicContact CG1-CB 3.97Å; V368-L374 HydrophobicContact CG1-CD1 4.35Å; V368-L374 HydrophobicContact CG1-CD2 4.2Å; V368-L374 HydrophobicContact CG1-CG 4.41Å; V368-L374 HydrophobicContact CG2-CD1 3.91Å; V368-L374 HydrophobicContact CG2-CD2 4.17Å | ||
| 369 | R | 88.3 | Confident | 87.4 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 22% | 0.219 | 26% | 0.262 | C | S | . | . | trans | -79 | -34.2 | -178 | -48.6 | -166 | 176.6 | 167.9 | -1.2 | 114.1 | N321 N324 W325 W373 | N321-R369 WeakPolarHBondContact O-CD 3.16Å; N321-R369 PolarHBondContact O-NH1 3.19Å; N324-R369 PolarHBondContact ND2-O 2.98Å; W325-R369 HydrophobicContact CB-CB 3.79Å; W325-R369 HydrophobicContact CB-CG 3.7Å; W325-R369 HydrophobicContact CD2-CG 4.34Å; W325-R369 HydrophobicContact CG-CB 4.29Å; W325-R369 HydrophobicContact CG-CG 3.66Å; R369-W373 HydrophobicContact CB-CB 4.14Å; R369-W373 HydrophobicContact CB-CD2 3.83Å; R369-W373 HydrophobicContact CB-CE3 4.1Å; R369-W373 HydrophobicContact CB-CG 3.87Å; R369-W373 HydrophobicContact CG-CD2 3.73Å; R369-W373 HydrophobicContact CG-CE3 3.97Å; R369-W373 HydrophobicContact CG-CG 4.2Å; R369-W373 HydrophobicContact CG-CH2 4.22Å; R369-W373 HydrophobicContact CG-CZ2 4.03Å; R369-W373 HydrophobicContact CG-CZ3 4.2Å | ||
| 370 | S | 88.3 | Confident | 87.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | trans | -171.4 | 163 | 172 | 61 | 0 | 0 | 0 | 0 | 109.8 | L320 V368 Q372 W373 L374 | L320-S370 VanDerWaalsContact O-CB 3.3Å; L320-S370 WeakPolarHBondContact O-CB 3.33Å; L320-S370 PolarHBondContact O-OG 3.32Å; V368-S370 WeakPolarHBondContact CG1-O 3.48Å; S370-Q372 VanDerWaalsContact C-N 3.27Å; S370-Q372 PolarHBondContact O-N 3.24Å; S370-W373 PolarHBondContact O-N 3.11Å; S370-W373 VanDerWaalsContact OG-CB 3.28Å; S370-W373 WeakPolarHBondContact OG-CB 3.45Å; S370-W373 PolarHBondContact OG-N 2.98Å; S370-L374 PolarHBondContact O-N 2.81Å | ||
| 371 | P | 89.3 | Confident | 87.3 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 5% | 0.045 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -53.6 | -40.3 | 170.9 | -29.3 | 37.9 | 0 | 0 | 0 | 113.5 | W358 E359 A362 L374 R375 | W358-P371 HydrophobicContact CB-CB 3.79Å; E359-P371 HydrophobicContact CB-CG 4.46Å; E359-P371 HydrophobicContact CG-CB 4.29Å; E359-P371 HydrophobicContact CG-CG 4.03Å; E359-P371 WeakPolarHBondContact OE1-CB 3.26Å; A362-P371 HydrophobicContact CB-CG 4.1Å; P371-L374 WeakPolarHBondContact O-CB 3.5Å; P371-L374 PolarHBondContact O-N 3.49Å; P371-R375 PolarHBondContact O-N 2.89Å |
| 372 | Q | 87.4 | Confident | 86.9 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.2 | -30.1 | -178.5 | -61.9 | 75.9 | 24.8 | 0 | 0 | 112.4 | E359 S370 S376 | E359-Q372 PolarHBondContact OE1-NE2 3.14Å; S370-Q372 VanDerWaalsContact C-N 3.27Å; S370-Q372 PolarHBondContact O-N 3.24Å; Q372-S376 WeakPolarHBondContact O-CB 3.48Å; Q372-S376 PolarHBondContact O-N 3.13Å; Q372-S376 VanDerWaalsContact O-N 3.12Å; Q372-S376 PolarHBondContact O-OG 3.44Å |
| 373 | W | 91.3 | Very high | 86.7 | Confident | 26 Ų | 26 | 51 Ų | 51 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 168.1 | -179.6 | 86.8 | 0 | 0 | 0 | 110.8 | W333 V368 R369 S370 S376 K377 | W333-W373 HydrophobicContact CB-CH2 3.94Å; W333-W373 AromaticContact CD2-CH2 3.55Å; W333-W373 HydrophobicContact CD2-CH2 3.55Å; W333-W373 AromaticContact CD2-CZ3 3.98Å; W333-W373 HydrophobicContact CD2-CZ3 3.98Å; W333-W373 AromaticContact CE3-CH2 3.5Å; W333-W373 HydrophobicContact CE3-CH2 3.5Å; W333-W373 VanDerWaalsContact CE3-CH2 3.5Å; W333-W373 AromaticContact CE3-CZ3 3.48Å; W333-W373 HydrophobicContact CE3-CZ3 3.48Å; W333-W373 VanDerWaalsContact CE3-CZ3 3.48Å; W333-W373 AromaticContact CG-CH2 3.77Å; W333-W373 HydrophobicContact CG-CH2 3.77Å; W333-W373 HydrophobicContact CH2-CZ3 4.48Å; W333-W373 HydrophobicContact CZ3-CH2 4.24Å; W333-W373 AromaticContact CZ3-CZ3 3.79Å; W333-W373 HydrophobicContact CZ3-CZ3 3.79Å; V368-W373 HydrophobicContact CG1-CE3 4.46Å; R369-W373 HydrophobicContact CB-CB 4.14Å; R369-W373 HydrophobicContact CB-CD2 3.83Å; R369-W373 HydrophobicContact CB-CE3 4.1Å; R369-W373 HydrophobicContact CB-CG 3.87Å; R369-W373 HydrophobicContact CG-CD2 3.73Å; R369-W373 HydrophobicContact CG-CE3 3.97Å; R369-W373 HydrophobicContact CG-CG 4.2Å; R369-W373 HydrophobicContact CG-CH2 4.22Å; R369-W373 HydrophobicContact CG-CZ2 4.03Å; R369-W373 HydrophobicContact CG-CZ3 4.2Å; S370-W373 PolarHBondContact O-N 3.11Å; S370-W373 VanDerWaalsContact OG-CB 3.28Å; S370-W373 WeakPolarHBondContact OG-CB 3.45Å; S370-W373 PolarHBondContact OG-N 2.98Å; W373-S376 CarbonylContact O-C 3.51Å; W373-S376 WeakPolarHBondContact O-CA 3.44Å; W373-S376 WeakPolarHBondContact O-CB 3.31Å; W373-S376 PolarHBondContact O-N 2.97Å; W373-S376 VanDerWaalsContact O-N 3.08Å; W373-K377 HydrophobicContact CD2-CG 4.23Å; W373-K377 HydrophobicContact CE3-CG 4.21Å; W373-K377 HydrophobicContact CH2-CG 3.82Å; W373-K377 HydrophobicContact CZ2-CD 4.44Å; W373-K377 HydrophobicContact CZ2-CG 3.81Å; W373-K377 HydrophobicContact CZ3-CG 4Å; W373-K377 PolarHBondContact O-N 3.33Å |
| 374 | L | 90.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 177.5 | -165.8 | 59.8 | 0 | 0 | 0 | 112 | W333 L341 W358 L361 A362 W365 V368 S370 P371 S376 K377 W378 | W333-L374 HydrophobicContact CH2-CD1 3.58Å; W333-L374 HydrophobicContact CZ3-CD1 3.9Å; L341-L374 HydrophobicContact CD1-CD1 3.7Å; L341-L374 HydrophobicContact CD1-CD2 4.18Å; L341-L374 HydrophobicContact CD1-CG 3.86Å; L341-L374 HydrophobicContact CD2-CD1 3.86Å; L341-L374 HydrophobicContact CG-CD1 4.37Å; W358-L374 HydrophobicContact CE3-CB 4.24Å; W358-L374 HydrophobicContact CE3-CD2 4.41Å; W358-L374 HydrophobicContact CE3-CG 4.14Å; W358-L374 HydrophobicContact CZ3-CG 4.31Å; L361-L374 HydrophobicContact CB-CD2 4.08Å; A362-L374 HydrophobicContact CB-CD2 4.1Å; W365-L374 HydrophobicContact CE3-CD2 4.48Å; W365-L374 HydrophobicContact CZ3-CD1 4.21Å; W365-L374 HydrophobicContact CZ3-CD2 4.34Å; V368-L374 HydrophobicContact CG1-CB 3.97Å; V368-L374 HydrophobicContact CG1-CD1 4.35Å; V368-L374 HydrophobicContact CG1-CD2 4.2Å; V368-L374 HydrophobicContact CG1-CG 4.41Å; V368-L374 HydrophobicContact CG2-CD1 3.91Å; V368-L374 HydrophobicContact CG2-CD2 4.17Å; S370-L374 PolarHBondContact O-N 2.81Å; P371-L374 WeakPolarHBondContact O-CB 3.5Å; P371-L374 PolarHBondContact O-N 3.49Å; L374-S376 VanDerWaalsContact C-N 3.29Å; L374-S376 PolarHBondContact O-N 3.09Å; L374-K377 WeakPolarHBondContact O-CB 3.32Å; L374-K377 PolarHBondContact O-N 3.27Å; L374-K377 VanDerWaalsContact O-N 3.17Å; L374-W378 PolarHBondContact O-N 3.4Å |
| 375 | R | 89.3 | Confident | 85.7 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 26% | 0.26 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 170.8 | -173.3 | 172.2 | -177.3 | 141.3 | 5.6 | 111.9 | N354 W358 P371 K377 W379 | N354-R375 PolarHBondContact OD1-NH2 3.43Å; W358-R375 HydrophobicContact CD2-CB 3.6Å; W358-R375 HydrophobicContact CD2-CG 4.05Å; W358-R375 HydrophobicContact CE3-CB 3.85Å; W358-R375 HydrophobicContact CG-CB 4.04Å; W358-R375 HydrophobicContact CH2-CB 4.43Å; W358-R375 HydrophobicContact CH2-CG 4.42Å; W358-R375 HydrophobicContact CZ2-CB 4.19Å; W358-R375 HydrophobicContact CZ2-CG 3.86Å; W358-R375 HydrophobicContact CZ3-CB 4.26Å; P371-R375 PolarHBondContact O-N 2.89Å; R375-K377 VanDerWaalsContact C-N 3.34Å; R375-W379 PolarHBondContact O-N 3.06Å |
| 376 | S | 88.4 | Confident | 84.5 | Confident | 70 Ų | 70 | 47 Ų | 47 | 49% | 0.49 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67 | -35.1 | 178.1 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | Q372 W373 L374 W379 S380 | Q372-S376 WeakPolarHBondContact O-CB 3.48Å; Q372-S376 PolarHBondContact O-N 3.13Å; Q372-S376 VanDerWaalsContact O-N 3.12Å; Q372-S376 PolarHBondContact O-OG 3.44Å; W373-S376 CarbonylContact O-C 3.51Å; W373-S376 WeakPolarHBondContact O-CA 3.44Å; W373-S376 WeakPolarHBondContact O-CB 3.31Å; W373-S376 PolarHBondContact O-N 2.97Å; W373-S376 VanDerWaalsContact O-N 3.08Å; L374-S376 VanDerWaalsContact C-N 3.29Å; L374-S376 PolarHBondContact O-N 3.09Å; S376-W379 PolarHBondContact O-N 3.39Å; S376-S380 PolarHBondContact O-N 2.92Å; S376-S380 VanDerWaalsContact O-N 3.1Å |
| 377 | K | 89.4 | Confident | 83.6 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 21% | 0.213 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.9 | -49.5 | 174 | -98.9 | -66.7 | -149.2 | 151.3 | 0 | 111.8 | D338 L341 W373 L374 R375 W379 S380 I381 | D338-K377 IonicContact OD1-NZ 3.42Å; D338-K377 PolarHBondContact OD1-NZ 3.19Å; D338-K377 IonicContact OD2-NZ 3.59Å; L341-K377 HydrophobicContact CD2-CB 4.31Å; W373-K377 HydrophobicContact CD2-CG 4.23Å; W373-K377 HydrophobicContact CE3-CG 4.21Å; W373-K377 HydrophobicContact CH2-CG 3.82Å; W373-K377 HydrophobicContact CZ2-CD 4.44Å; W373-K377 HydrophobicContact CZ2-CG 3.81Å; W373-K377 HydrophobicContact CZ3-CG 4Å; W373-K377 PolarHBondContact O-N 3.33Å; L374-K377 WeakPolarHBondContact O-CB 3.32Å; L374-K377 PolarHBondContact O-N 3.27Å; L374-K377 VanDerWaalsContact O-N 3.17Å; R375-K377 VanDerWaalsContact C-N 3.34Å; K377-W379 VanDerWaalsContact C-N 3.31Å; K377-W379 PolarHBondContact O-N 3.16Å; K377-S380 WeakPolarHBondContact O-CA 3.45Å; K377-S380 VanDerWaalsContact O-CB 3.27Å; K377-S380 WeakPolarHBondContact O-CB 3.42Å; K377-S380 PolarHBondContact O-N 2.96Å; K377-I381 WeakPolarHBondContact O-CG1 3.38Å; K377-I381 PolarHBondContact O-N 3.12Å |
| 378 | W | 87.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.2 | -48.9 | 171 | 161.1 | -112.4 | 0 | 0 | 0 | 111.6 | L341 L342 I345 E353 W358 L374 S380 I381 K382 F393 V396 L399 | L341-W378 HydrophobicContact CD2-CB 4.18Å; L342-W378 HydrophobicContact CD2-CE3 4.12Å; L342-W378 HydrophobicContact CD2-CZ3 3.64Å; I345-W378 HydrophobicContact CD1-CB 4.11Å; I345-W378 HydrophobicContact CD1-CD2 3.7Å; I345-W378 HydrophobicContact CD1-CE3 3.64Å; I345-W378 HydrophobicContact CD1-CG 3.91Å; I345-W378 HydrophobicContact CD1-CZ3 4.36Å; E353-W378 PolarHBondContact OE1-NE1 2.97Å; E353-W378 PolarHBondContact OE2-NE1 3.19Å; W358-W378 HydrophobicContact CH2-CB 3.61Å; W358-W378 AromaticContact CH2-CD1 3.49Å; W358-W378 VanDerWaalsContact CH2-CD1 3.49Å; W358-W378 AromaticContact CH2-CG 3.63Å; W358-W378 HydrophobicContact CH2-CG 3.63Å; W358-W378 AromaticContact CZ2-CD1 3.92Å; W358-W378 HydrophobicContact CZ2-CG 4.48Å; W358-W378 HydrophobicContact CZ3-CB 3.93Å; W358-W378 HydrophobicContact CZ3-CG 4.42Å; L374-W378 PolarHBondContact O-N 3.4Å; W378-S380 PolarHBondContact O-N 3.32Å; W378-S380 VanDerWaalsContact O-N 3.13Å; W378-I381 PolarHBondContact O-N 3.45Å; W378-I381 VanDerWaalsContact O-N 3.17Å; W378-K382 HydrophobicContact CD2-CB 4.46Å; W378-K382 HydrophobicContact CH2-CB 4.28Å; W378-K382 HydrophobicContact CH2-CD 4.35Å; W378-K382 HydrophobicContact CH2-CG 4.21Å; W378-K382 HydrophobicContact CZ2-CB 4.18Å; W378-K382 HydrophobicContact CZ2-CD 3.67Å; W378-K382 HydrophobicContact CZ2-CG 4.01Å; W378-K382 HydrophobicContact CZ3-CB 4.47Å; W378-K382 WeakPolarHBondContact O-CB 3.13Å; W378-K382 PolarHBondContact O-N 2.91Å; W378-F393 HydrophobicContact CZ2-CE2 4.44Å; W378-V396 HydrophobicContact CH2-CG2 3.92Å; W378-V396 HydrophobicContact CZ2-CG2 4.37Å; W378-L399 HydrophobicContact CH2-CD1 4.13Å |
| 379 | W | 85.1 | Confident | 81.4 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 25% | 0.254 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.6 | -10.6 | 175.8 | -89.4 | 89.3 | 0 | 0 | 0 | 115.1 | M149 E353 R375 S376 K377 R383 | M149-W379 HydrophobicContact CE-CZ2 4.14Å; M149-W379 HydrophobicContact SD-CZ2 4.49Å; E353-W379 VanDerWaalsContact OE1-CE2 3.22Å; E353-W379 WeakPolarHBondContact OE1-CZ2 3.45Å; E353-W379 PolarHBondContact OE1-NE1 2.95Å; R375-W379 PolarHBondContact O-N 3.06Å; S376-W379 PolarHBondContact O-N 3.39Å; K377-W379 VanDerWaalsContact C-N 3.31Å; K377-W379 PolarHBondContact O-N 3.16Å; W379-R383 PolarHBondContact O-NE 3.44Å; W379-R383 PolarHBondContact O-NH2 2.96Å; W379-R383 VanDerWaalsContact O-NH2 3.12Å |
| 380 | S | 86.3 | Confident | 80 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 44% | 0.441 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -88 | -44.5 | 170.3 | -164.6 | 0 | 0 | 0 | 0 | 110.9 | S376 K377 W378 R383 | S376-S380 PolarHBondContact O-N 2.92Å; S376-S380 VanDerWaalsContact O-N 3.1Å; K377-S380 WeakPolarHBondContact O-CA 3.45Å; K377-S380 VanDerWaalsContact O-CB 3.27Å; K377-S380 WeakPolarHBondContact O-CB 3.42Å; K377-S380 PolarHBondContact O-N 2.96Å; W378-S380 PolarHBondContact O-N 3.32Å; W378-S380 VanDerWaalsContact O-N 3.13Å; S380-R383 PolarHBondContact O-N 3.37Å |
| 381 | I | 83.9 | Confident | 78.7 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.7 | -48.9 | 177.8 | -59.8 | 160.7 | 0 | 0 | 0 | 110.2 | D338 L341 L342 K377 W378 R383 Q384 L403 | D338-I381 HydrophobicContact CB-CD1 3.99Å; D338-I381 WeakPolarHBondContact OD1-CD1 3.29Å; L341-I381 HydrophobicContact CD2-CD1 3.95Å; L342-I381 HydrophobicContact CD2-CG2 4.05Å; K377-I381 WeakPolarHBondContact O-CG1 3.38Å; K377-I381 PolarHBondContact O-N 3.12Å; W378-I381 PolarHBondContact O-N 3.45Å; W378-I381 VanDerWaalsContact O-N 3.17Å; I381-R383 PolarHBondContact O-N 3.32Å; I381-R383 VanDerWaalsContact O-N 3.09Å; I381-Q384 WeakPolarHBondContact O-CB 3.39Å; I381-Q384 PolarHBondContact O-N 3.01Å; I381-L403 HydrophobicContact CG2-CD1 3.59Å; I381-L403 HydrophobicContact CG2-CD2 4.22Å |
| 382 | K | 80.9 | Confident | 77.5 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -52.5 | -36 | 176.5 | -168 | -175.5 | -172.3 | -179.9 | 0 | 111.9 | E353 W378 Q384 V385 H388 | E353-K382 IonicContact OE2-NZ 2.71Å; E353-K382 PolarHBondContact OE2-NZ 3.01Å; W378-K382 HydrophobicContact CD2-CB 4.46Å; W378-K382 HydrophobicContact CH2-CB 4.28Å; W378-K382 HydrophobicContact CH2-CD 4.35Å; W378-K382 HydrophobicContact CH2-CG 4.21Å; W378-K382 HydrophobicContact CZ2-CB 4.18Å; W378-K382 HydrophobicContact CZ2-CD 3.67Å; W378-K382 HydrophobicContact CZ2-CG 4.01Å; W378-K382 HydrophobicContact CZ3-CB 4.47Å; W378-K382 WeakPolarHBondContact O-CB 3.13Å; W378-K382 PolarHBondContact O-N 2.91Å; K382-Q384 VanDerWaalsContact C-N 3.35Å; K382-Q384 PolarHBondContact O-N 3.44Å; K382-V385 PolarHBondContact O-N 3.41Å; K382-H388 HydrophobicContact CG-CB 4.28Å; K382-H388 WeakPolarHBondContact O-CB 3.21Å |
| 383 | R | 82.3 | Confident | 76.4 | Confident | 151 Ų | 151 | 65.9 Ų | 65.9 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -75.3 | -14.5 | 179.4 | -99.7 | -177.4 | -74.2 | -173.4 | -5.4 | 115.3 | W379 S380 I381 V385 | W379-R383 PolarHBondContact O-NE 3.44Å; W379-R383 PolarHBondContact O-NH2 2.96Å; W379-R383 VanDerWaalsContact O-NH2 3.12Å; S380-R383 PolarHBondContact O-N 3.37Å; I381-R383 PolarHBondContact O-N 3.32Å; I381-R383 VanDerWaalsContact O-N 3.09Å; R383-V385 VanDerWaalsContact C-N 3.32Å |
| 384 | Q | 75.5 | Confident | 75 | Confident | 127 Ų | 127 | 69.5 Ų | 69.5 | 59% | 0.593 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -77 | -20.9 | 175.4 | -68.1 | 169.6 | -25.1 | 0 | 0 | 112.3 | I381 K382 | I381-Q384 WeakPolarHBondContact O-CB 3.39Å; I381-Q384 PolarHBondContact O-N 3.01Å; K382-Q384 VanDerWaalsContact C-N 3.35Å; K382-Q384 PolarHBondContact O-N 3.44Å |
| 385 | V | 71.9 | Confident | 73.6 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -85.4 | 139.6 | 177.3 | -166.2 | 0 | 0 | 0 | 0 | 110.2 | K382 R383 H388 I391 L399 L403 | K382-V385 PolarHBondContact O-N 3.41Å; R383-V385 VanDerWaalsContact C-N 3.32Å; V385-H388 PolarHBondContact O-ND1 2.9Å; V385-H388 VanDerWaalsContact O-ND1 3.07Å; V385-I391 HydrophobicContact CG1-CD1 4.4Å; V385-L399 HydrophobicContact CB-CD2 3.91Å; V385-L399 HydrophobicContact CG1-CD2 3.69Å; V385-L399 HydrophobicContact CG2-CD2 4.02Å; V385-L403 HydrophobicContact CG2-CD1 3.88Å; V385-L403 HydrophobicContact CG2-CD2 3.81Å; V385-L403 HydrophobicContact CG2-CG 3.74Å |
| 386 | A | 60.7 | Low | 72.4 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 62% | 0.62 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 150.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | H388 I391 | A386-H388 PolarHBondContact O-N 2.7Å; A386-I391 VanDerWaalsContact O-CD1 3.32Å; A386-I391 WeakPolarHBondContact O-CD1 3.27Å |
| 387 | N | 64.3 | Low | 71.3 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 57% | 0.572 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 22.7 | 176.6 | -56.4 | 9.5 | 0 | 0 | 0 | 115.7 | K389 E390 I391 | N387-K389 PolarHBondContact O-N 2.87Å; N387-E390 PolarHBondContact O-N 2.93Å; N387-I391 WeakPolarHBondContact O-CG1 3.49Å; N387-I391 PolarHBondContact O-N 3.16Å |
| 388 | H | 65.4 | Low | 70 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 21% | 0.208 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -5 | -179.4 | 65.2 | -102.1 | 0 | 0 | 0 | 117.1 | K382 V385 A386 | K382-H388 HydrophobicContact CG-CB 4.28Å; K382-H388 WeakPolarHBondContact O-CB 3.21Å; V385-H388 PolarHBondContact O-ND1 2.9Å; V385-H388 VanDerWaalsContact O-ND1 3.07Å; A386-H388 PolarHBondContact O-N 2.7Å |
| 389 | K | 62.9 | Low | 68.9 | Low | 183 Ų | 183 | 70.3 Ų | 70.3 | 80% | 0.796 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -21.5 | 172.8 | -61.7 | 179.4 | -177.4 | 172.3 | 0 | 113.1 | N387 | N387-K389 PolarHBondContact O-N 2.87Š|
| 390 | E | 59.4 | Low | 68 | Low | 146 Ų | 146 | 68 Ų | 68 | 68% | 0.682 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -23.2 | -172.8 | -64.5 | 165.8 | 179.3 | 0 | 0 | 111.4 | N387 P392 | N387-E390 PolarHBondContact O-N 2.93Å; E390-P392 WeakPolarHBondContact O-CD 3.32Å |
| 391 | I | 61.7 | Low | 67 | Low | 44 Ų | 44 | 71.4 Ų | 71.4 | 23% | 0.226 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -70.5 | 115.4 | 175.4 | -62.3 | 170.7 | 0 | 0 | 0 | 109.2 | V385 A386 N387 A395 L399 | V385-I391 HydrophobicContact CG1-CD1 4.4Å; A386-I391 VanDerWaalsContact O-CD1 3.32Å; A386-I391 WeakPolarHBondContact O-CD1 3.27Å; N387-I391 WeakPolarHBondContact O-CG1 3.49Å; N387-I391 PolarHBondContact O-N 3.16Å; I391-A395 HydrophobicContact CG2-CB 3.59Å; I391-L399 HydrophobicContact CD1-CD2 3.65Å; I391-L399 HydrophobicContact CG2-CD1 4.22Å; I391-L399 HydrophobicContact CG2-CD2 3.95Å; I391-L399 HydrophobicContact CG2-CG 3.99Å |
| 392 | P | 63.7 | Low | 66.2 | Low | 75 Ų | 75 | 72.3 Ų | 72.3 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | trans | -70.3 | 161.4 | -179.1 | 30.5 | -36.2 | 0 | 0 | 0 | 111.4 | E390 S394 A395 | E390-P392 WeakPolarHBondContact O-CD 3.32Å; P392-S394 PolarHBondContact O-N 3.2Å; P392-A395 HydrophobicContact CG-CB 4.15Å; P392-A395 WeakPolarHBondContact O-CB 3.5Å; P392-A395 PolarHBondContact O-N 3Å | ||
| 393 | F | 64.9 | Low | 65.4 | Low | 33 Ų | 33 | 71.5 Ų | 71.5 | 15% | 0.145 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -62.4 | -29.7 | -178.7 | -171 | -105.4 | 0 | 0 | 0 | 113 | I345 V350 E353 I356 W378 A395 V396 | I345-F393 HydrophobicContact CG2-CE2 3.93Å; I345-F393 HydrophobicContact CG2-CZ 3.73Å; V350-F393 WeakPolarHBondContact O-CD1 3.28Å; V350-F393 VanDerWaalsContact O-CE1 3.23Å; V350-F393 WeakPolarHBondContact O-CE1 3.47Å; E353-F393 HydrophobicContact CB-CD2 3.84Å; E353-F393 HydrophobicContact CB-CE2 4.19Å; E353-F393 HydrophobicContact CB-CG 4.39Å; E353-F393 HydrophobicContact CG-CD2 3.89Å; E353-F393 HydrophobicContact CG-CE2 3.87Å; I356-F393 HydrophobicContact CD1-CE2 3.73Å; I356-F393 HydrophobicContact CD1-CZ 3.63Å; I356-F393 HydrophobicContact CG1-CZ 4.17Å; W378-F393 HydrophobicContact CZ2-CE2 4.44Å; F393-A395 PolarHBondContact O-N 3.26Å; F393-A395 VanDerWaalsContact O-N 3.14Å; F393-V396 HydrophobicContact CD2-CG2 3.78Å; F393-V396 HydrophobicContact CE2-CG2 3.72Å; F393-V396 HydrophobicContact CG-CG2 4.41Å; F393-V396 HydrophobicContact CZ-CG2 4.31Å; F393-V396 WeakPolarHBondContact O-CB 3.25Å; F393-V396 WeakPolarHBondContact O-CG2 3.21Å; F393-V396 PolarHBondContact O-N 3.22Å; F393-V396 VanDerWaalsContact O-N 3.1Å |
| 394 | S | 61.2 | Low | 64.7 | Low | 101 Ų | 101 | 67.4 Ų | 67.4 | 71% | 0.706 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -60.1 | -19.7 | 171.4 | 52.9 | 0 | 0 | 0 | 0 | 114.4 | P392 P397 | P392-S394 PolarHBondContact O-N 3.2Å; S394-P397 WeakPolarHBondContact O-CD 3.39Å |
| 395 | A | 60.7 | Low | 64.3 | Low | 20 Ų | 20 | 66.4 Ų | 66.4 | 17% | 0.165 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -94.2 | 13.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I391 P392 F393 P397 V398 L399 | I391-A395 HydrophobicContact CG2-CB 3.59Å; P392-A395 HydrophobicContact CG-CB 4.15Å; P392-A395 WeakPolarHBondContact O-CB 3.5Å; P392-A395 PolarHBondContact O-N 3Å; F393-A395 PolarHBondContact O-N 3.26Å; F393-A395 VanDerWaalsContact O-N 3.14Å; A395-P397 VanDerWaalsContact C-CD 3.41Å; A395-P397 VanDerWaalsContact C-N 3.27Å; A395-V398 HydrophobicContact CB-CB 4.42Å; A395-V398 HydrophobicContact CB-CG2 4.31Å; A395-V398 WeakPolarHBondContact O-CA 3.15Å; A395-V398 WeakPolarHBondContact O-CB 3.21Å; A395-V398 PolarHBondContact O-N 3.16Å; A395-L399 PolarHBondContact O-N 3.24Å |
| 396 | V | 64.8 | Low | 64 | Low | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.024 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -50.7 | -37.5 | 167.2 | 165.5 | 0 | 0 | 0 | 0 | 113.5 | I345 W378 F393 V398 L399 L400 | I345-V396 HydrophobicContact CG2-CG1 4.29Å; W378-V396 HydrophobicContact CH2-CG2 3.92Å; W378-V396 HydrophobicContact CZ2-CG2 4.37Å; F393-V396 HydrophobicContact CD2-CG2 3.78Å; F393-V396 HydrophobicContact CE2-CG2 3.72Å; F393-V396 HydrophobicContact CG-CG2 4.41Å; F393-V396 HydrophobicContact CZ-CG2 4.31Å; F393-V396 WeakPolarHBondContact O-CB 3.25Å; F393-V396 WeakPolarHBondContact O-CG2 3.21Å; F393-V396 PolarHBondContact O-N 3.22Å; F393-V396 VanDerWaalsContact O-N 3.1Å; V396-V398 VanDerWaalsContact C-N 3.26Å; V396-V398 PolarHBondContact O-N 3.43Å; V396-L399 HydrophobicContact CG2-CD1 4.36Å; V396-L399 WeakPolarHBondContact O-CB 3.29Å; V396-L399 PolarHBondContact O-N 2.82Å; V396-L400 WeakPolarHBondContact O-CB 3.47Å; V396-L400 PolarHBondContact O-N 2.94Å |
| 397 | P | 64.1 | Low | 64 | Low | 71 Ų | 71 | 67.3 Ų | 67.3 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -28 | 171.5 | -25.9 | 36.8 | 0 | 0 | 0 | 114.6 | S394 A395 L400 K401 | S394-P397 WeakPolarHBondContact O-CD 3.39Å; A395-P397 VanDerWaalsContact C-CD 3.41Å; A395-P397 VanDerWaalsContact C-N 3.27Å; P397-L400 WeakPolarHBondContact O-CB 3.1Å; P397-K401 PolarHBondContact O-N 2.93Å |
| 398 | V | 63.7 | Low | 63.9 | Low | 106 Ų | 106 | 66 Ų | 66 | 64% | 0.642 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -79.8 | -39.7 | 175.8 | -172 | 0 | 0 | 0 | 0 | 110.5 | A395 V396 L400 K401 G402 | A395-V398 HydrophobicContact CB-CB 4.42Å; A395-V398 HydrophobicContact CB-CG2 4.31Å; A395-V398 WeakPolarHBondContact O-CA 3.15Å; A395-V398 WeakPolarHBondContact O-CB 3.21Å; A395-V398 PolarHBondContact O-N 3.16Å; V396-V398 VanDerWaalsContact C-N 3.26Å; V396-V398 PolarHBondContact O-N 3.43Å; V398-L400 VanDerWaalsContact C-N 3.3Å; V398-L400 PolarHBondContact O-N 3.47Å; V398-K401 PolarHBondContact O-N 2.82Å; V398-G402 PolarHBondContact O-N 3.38Å |
| 399 | L | 64.4 | Low | 63.7 | Low | 6 Ų | 6 | 67.2 Ų | 67.2 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 169.4 | -64.3 | 176.6 | 0 | 0 | 0 | 111.2 | W378 V385 I391 A395 V396 G402 L403 | W378-L399 HydrophobicContact CH2-CD1 4.13Å; V385-L399 HydrophobicContact CB-CD2 3.91Å; V385-L399 HydrophobicContact CG1-CD2 3.69Å; V385-L399 HydrophobicContact CG2-CD2 4.02Å; I391-L399 HydrophobicContact CD1-CD2 3.65Å; I391-L399 HydrophobicContact CG2-CD1 4.22Å; I391-L399 HydrophobicContact CG2-CD2 3.95Å; I391-L399 HydrophobicContact CG2-CG 3.99Å; A395-L399 PolarHBondContact O-N 3.24Å; V396-L399 HydrophobicContact CG2-CD1 4.36Å; V396-L399 WeakPolarHBondContact O-CB 3.29Å; V396-L399 PolarHBondContact O-N 2.82Å; L399-G402 PolarHBondContact O-N 2.93Å; L399-L403 VanDerWaalsContact O-CB 3.29Å; L399-L403 WeakPolarHBondContact O-CB 3.3Å; L399-L403 WeakPolarHBondContact O-CD1 3.41Å; L399-L403 VanDerWaalsContact O-CG 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.45Å; L399-L403 PolarHBondContact O-N 3.44Å |
| 400 | L | 65.1 | Low | 63.3 | Low | 19 Ų | 19 | 61.8 Ų | 61.8 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -52.3 | -55.4 | 173.5 | -104.9 | 163.6 | 0 | 0 | 0 | 111.3 | L342 R343 V396 P397 V398 G402 L403 E404 | L342-L400 HydrophobicContact CB-CD2 3.42Å; L342-L400 VanDerWaalsContact CB-CD2 3.42Å; L342-L400 HydrophobicContact CB-CG 3.8Å; L342-L400 HydrophobicContact CD1-CD2 4.16Å; L342-L400 HydrophobicContact CG-CD2 4.41Å; R343-L400 HydrophobicContact CG-CD2 4.21Å; V396-L400 WeakPolarHBondContact O-CB 3.47Å; V396-L400 PolarHBondContact O-N 2.94Å; P397-L400 WeakPolarHBondContact O-CB 3.1Å; V398-L400 VanDerWaalsContact C-N 3.3Å; V398-L400 PolarHBondContact O-N 3.47Å; L400-G402 PolarHBondContact O-N 3.49Å; L400-L403 PolarHBondContact O-N 3.24Å; L400-E404 PolarHBondContact O-N 3.28Å |
| 401 | K | 66.4 | Low | 62.7 | Low | 133 Ų | 133 | 59.5 Ų | 59.5 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.4 | -47.8 | -178.6 | -177 | 172 | 173.2 | 178.1 | 0 | 112.2 | P397 V398 L403 E404 E405 | P397-K401 PolarHBondContact O-N 2.93Å; V398-K401 PolarHBondContact O-N 2.82Å; K401-L403 VanDerWaalsContact C-N 3.3Å; K401-L403 PolarHBondContact O-N 3.46Å; K401-E404 PolarHBondContact O-N 3.15Å; K401-E405 WeakPolarHBondContact CE-OE1 3.42Å; K401-E405 WeakPolarHBondContact CG-OE1 3.38Å; K401-E405 IonicContact NZ-OE1 3.8Å; K401-E405 WeakPolarHBondContact O-CB 3.49Å; K401-E405 VanDerWaalsContact O-CG 3.32Å; K401-E405 WeakPolarHBondContact O-CG 3.26Å; K401-E405 PolarHBondContact O-N 2.98Å |
| 402 | G | 66.1 | Low | 61.7 | Low | 24 Ų | 24 | 63.1 Ų | 63.1 | 25% | 0.247 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V398 L399 L400 L406 | V398-G402 PolarHBondContact O-N 3.38Å; L399-G402 PolarHBondContact O-N 2.93Å; L400-G402 PolarHBondContact O-N 3.49Å; G402-L406 WeakPolarHBondContact O-CB 3.43Å; G402-L406 VanDerWaalsContact O-CG 3.26Å; G402-L406 WeakPolarHBondContact O-CG 3.42Å; G402-L406 PolarHBondContact O-N 3.42Å |
| 403 | L | 64.7 | Low | 60.7 | Low | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -75.7 | -38.2 | 175.3 | -74.6 | 163.7 | 0 | 0 | 0 | 112.3 | L342 I381 V385 L399 L400 K401 E405 L406 M407 | L342-L403 HydrophobicContact CD1-CB 3.93Å; L342-L403 HydrophobicContact CD1-CD1 3.66Å; L342-L403 HydrophobicContact CD1-CG 4.42Å; L342-L403 HydrophobicContact CD2-CD1 3.95Å; L342-L403 HydrophobicContact CG-CD1 4.46Å; I381-L403 HydrophobicContact CG2-CD1 3.59Å; I381-L403 HydrophobicContact CG2-CD2 4.22Å; V385-L403 HydrophobicContact CG2-CD1 3.88Å; V385-L403 HydrophobicContact CG2-CD2 3.81Å; V385-L403 HydrophobicContact CG2-CG 3.74Å; L399-L403 VanDerWaalsContact O-CB 3.29Å; L399-L403 WeakPolarHBondContact O-CB 3.3Å; L399-L403 WeakPolarHBondContact O-CD1 3.41Å; L399-L403 VanDerWaalsContact O-CG 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.45Å; L399-L403 PolarHBondContact O-N 3.44Å; L400-L403 PolarHBondContact O-N 3.24Å; K401-L403 VanDerWaalsContact C-N 3.3Å; K401-L403 PolarHBondContact O-N 3.46Å; L403-E405 VanDerWaalsContact C-N 3.35Å; L403-L406 PolarHBondContact O-N 3.05Å; L403-M407 WeakPolarHBondContact O-CB 3.42Å; L403-M407 VanDerWaalsContact O-CG 3.25Å; L403-M407 WeakPolarHBondContact O-CG 3.27Å; L403-M407 PolarHBondContact O-N 2.89Å |
| 404 | E | 66.2 | Low | 59.2 | Low | 65 Ų | 65 | 66.3 Ų | 66.3 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 172.3 | -75.7 | -175.7 | 150.5 | 0 | 0 | 111.1 | L339 R343 L400 K401 M407 T408 | L339-E404 HydrophobicContact CD2-CG 3.67Å; R343-E404 IonicContact CZ-OE1 2.96Å; R343-E404 IonicContact NE-OE1 3.31Å; R343-E404 PolarHBondContact NE-OE1 3.03Å; R343-E404 IonicContact NH2-OE1 2.82Å; R343-E404 PolarHBondContact NH2-OE1 3.32Å; L400-E404 PolarHBondContact O-N 3.28Å; K401-E404 PolarHBondContact O-N 3.15Å; E404-M407 PolarHBondContact O-N 2.88Å; E404-T408 WeakPolarHBondContact O-CB 3.33Å; E404-T408 VanDerWaalsContact O-CG2 3.28Å; E404-T408 WeakPolarHBondContact O-CG2 3.44Å; E404-T408 PolarHBondContact O-N 3.33Å; E404-T408 PolarHBondContact O-OG1 3.37Å |
| 405 | E | 69.1 | Low | 57.8 | Low | 107 Ų | 107 | 69 Ų | 69 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 172.9 | -73.4 | 168.6 | 179.1 | 0 | 0 | 112.5 | K401 L403 T408 S409 | K401-E405 WeakPolarHBondContact CE-OE1 3.42Å; K401-E405 WeakPolarHBondContact CG-OE1 3.38Å; K401-E405 IonicContact NZ-OE1 3.8Å; K401-E405 WeakPolarHBondContact O-CB 3.49Å; K401-E405 VanDerWaalsContact O-CG 3.32Å; K401-E405 WeakPolarHBondContact O-CG 3.26Å; K401-E405 PolarHBondContact O-N 2.98Å; L403-E405 VanDerWaalsContact C-N 3.35Å; E405-T408 PolarHBondContact O-OG1 3.39Å; E405-S409 WeakPolarHBondContact O-CB 3.09Å; E405-S409 PolarHBondContact O-N 2.82Å; E405-S409 PolarHBondContact O-OG 3.3Å |
| 406 | L | 63.7 | Low | 56.7 | Low | 98 Ų | 98 | 74.6 Ų | 74.6 | 51% | 0.513 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.7 | -34.9 | 174 | -73.9 | 168.4 | 0 | 0 | 0 | 113.2 | G402 L403 S409 S410 | G402-L406 WeakPolarHBondContact O-CB 3.43Å; G402-L406 VanDerWaalsContact O-CG 3.26Å; G402-L406 WeakPolarHBondContact O-CG 3.42Å; G402-L406 PolarHBondContact O-N 3.42Å; L403-L406 PolarHBondContact O-N 3.05Å; L406-S409 PolarHBondContact O-OG 2.94Å; L406-S409 VanDerWaalsContact O-OG 3.13Å; L406-S410 WeakPolarHBondContact O-CB 3.37Å; L406-S410 PolarHBondContact O-N 2.7Å; L406-S410 PolarHBondContact O-OG 3.01Å |
| 407 | M | 62.6 | Low | 55.1 | Low | 23 Ų | 23 | 77.4 Ų | 77.4 | 11% | 0.113 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -82 | -28.8 | -179.5 | -70.7 | -168.1 | -158.4 | 0 | 0 | 113.4 | D338 L339 L403 E404 Q411 | D338-M407 HydrophobicContact CB-CE 4.13Å; L339-M407 HydrophobicContact CD2-CE 4.25Å; L339-M407 HydrophobicContact CD2-SD 3.57Å; L339-M407 VanDerWaalsContact CD2-SD 3.57Å; L339-M407 HydrophobicContact CG-SD 3.86Å; L403-M407 WeakPolarHBondContact O-CB 3.42Å; L403-M407 VanDerWaalsContact O-CG 3.25Å; L403-M407 WeakPolarHBondContact O-CG 3.27Å; L403-M407 PolarHBondContact O-N 2.89Å; E404-M407 PolarHBondContact O-N 2.88Å; M407-Q411 WeakPolarHBondContact O-CG 3.43Å; M407-Q411 PolarHBondContact O-N 2.75Å; M407-Q411 PolarHBondContact O-NE2 3.29Å; M407-Q411 VanDerWaalsContact O-NE2 3.16Å |
| 408 | T | 62.1 | Low | 53.3 | Low | 79 Ų | 79 | 79.8 Ų | 79.8 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76 | -45 | 175.1 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | E404 E405 S410 Q411 T412 | E404-T408 WeakPolarHBondContact O-CB 3.33Å; E404-T408 VanDerWaalsContact O-CG2 3.28Å; E404-T408 WeakPolarHBondContact O-CG2 3.44Å; E404-T408 PolarHBondContact O-N 3.33Å; E404-T408 PolarHBondContact O-OG1 3.37Å; E405-T408 PolarHBondContact O-OG1 3.39Å; T408-S410 PolarHBondContact O-N 3.29Å; T408-Q411 PolarHBondContact O-N 3.23Å; T408-T412 PolarHBondContact O-N 3.11Å; T408-T412 PolarHBondContact O-OG1 2.92Å |
| 409 | S | 60.2 | Low | 52.1 | Low | 70 Ų | 70 | 81 Ų | 81 | 49% | 0.49 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -30.7 | 171 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | E405 L406 Q411 T412 | E405-S409 WeakPolarHBondContact O-CB 3.09Å; E405-S409 PolarHBondContact O-N 2.82Å; E405-S409 PolarHBondContact O-OG 3.3Å; L406-S409 PolarHBondContact O-OG 2.94Å; L406-S409 VanDerWaalsContact O-OG 3.13Å; S409-Q411 VanDerWaalsContact C-N 3.32Å; S409-Q411 PolarHBondContact O-N 3.11Å; S409-T412 PolarHBondContact O-OG1 3.4Å; S409-T412 VanDerWaalsContact O-OG1 3.13Å |
| 410 | S | 54.1 | Low | 50.3 | Low | 69 Ų | 69 | 86.1 Ų | 86.1 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -11.6 | 171.7 | -63.1 | 0 | 0 | 0 | 0 | 115 | L406 T408 | L406-S410 WeakPolarHBondContact O-CB 3.37Å; L406-S410 PolarHBondContact O-N 2.7Å; L406-S410 PolarHBondContact O-OG 3.01Å; T408-S410 PolarHBondContact O-N 3.29Å |
| 411 | Q | 47.2 | Very low | 48.6 | Very low | 98 Ų | 98 | 90.6 Ų | 90.6 | 46% | 0.458 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.1 | -27.7 | -178.8 | -79.5 | 178.1 | 71.5 | 0 | 0 | 113.2 | M407 T408 S409 A413 S414 | M407-Q411 WeakPolarHBondContact O-CG 3.43Å; M407-Q411 PolarHBondContact O-N 2.75Å; M407-Q411 PolarHBondContact O-NE2 3.29Å; M407-Q411 VanDerWaalsContact O-NE2 3.16Å; T408-Q411 PolarHBondContact O-N 3.23Å; S409-Q411 VanDerWaalsContact C-N 3.32Å; S409-Q411 PolarHBondContact O-N 3.11Å; Q411-A413 PolarHBondContact O-N 3.44Å; Q411-A413 VanDerWaalsContact O-N 3.09Å; Q411-S414 PolarHBondContact O-N 3.15Å; Q411-S414 PolarHBondContact O-OG 2.89Å |
| 412 | T | 41.7 | Very low | 46.9 | Very low | 121 Ų | 121 | 90.6 Ų | 90.6 | 74% | 0.742 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -12.3 | 173 | 44.3 | 0 | 0 | 0 | 0 | 113.8 | T408 S409 | T408-T412 PolarHBondContact O-N 3.11Å; T408-T412 PolarHBondContact O-OG1 2.92Å; S409-T412 PolarHBondContact O-OG1 3.4Å; S409-T412 VanDerWaalsContact O-OG1 3.13Å |
| 413 | A | 41.6 | Very low | 45.1 | Very low | 91 Ų | 91 | 93.2 Ų | 93.2 | 75% | 0.752 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q411 | Q411-A413 PolarHBondContact O-N 3.44Å; Q411-A413 VanDerWaalsContact O-N 3.09Å |
| 414 | S | 34 | Very low | 43.2 | Very low | 84 Ų | 84 | 101.4 Ų | 101.4 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | trans | -125.3 | 82.2 | -171.8 | 47.1 | 0 | 0 | 0 | 0 | 113.5 | Q411 | Q411-S414 PolarHBondContact O-N 3.15Å; Q411-S414 PolarHBondContact O-OG 2.89Å | ||
| 415 | L | 32.5 | Very low | 41.1 | Very low | 158 Ų | 158 | 105.9 Ų | 105.9 | 83% | 0.827 | 66% | 0.663 | S | S | * | * | trans | -115.2 | 144.3 | 160.2 | -86 | 164.6 | 0 | 0 | 0 | 109.3 | G417 | L415-G417 PolarHBondContact O-N 2.87Å; L415-G417 VanDerWaalsContact O-N 3.14Å | ||
| 416 | P | 36.7 | Very low | 39 | Very low | 136 Ų | 136 | 108 Ų | 108 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -81.5 | 98 | -167.1 | 31.3 | -34.8 | 0 | 0 | 0 | 112.8 | ||
| 417 | G | 30.8 | Very low | 37.1 | Very low | 63 Ų | 63 | 114.3 Ų | 114.3 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -169.7 | 108.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L415 | L415-G417 PolarHBondContact O-N 2.87Å; L415-G417 VanDerWaalsContact O-N 3.14Å |
| 418 | S | 26.5 | Very low | 35.3 | Very low | 121 Ų | 121 | 121 Ų | 121 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 73.2 | 150.6 | 179.6 | -55.5 | 0 | 0 | 0 | 0 | 116.3 | ||
| 419 | P | 37.7 | Very low | 33.5 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | trans | -89.6 | 134.1 | -174.6 | 34.2 | -33.5 | 0 | 0 | 0 | 112.7 | ||||
| 420 | S | 27.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -150.8 | 111.1 | 167.9 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 421 | S | 30.1 | Very low | 30.5 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -58.8 | 142.2 | 157.5 | -58 | 0 | 0 | 0 | 0 | 109 | S423 | S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.47Å | ||
| 422 | S | 30.4 | Very low | 29.7 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -73 | 77.1 | -178.8 | 58.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 423 | S | 27.1 | Very low | 29.1 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 56% | 0.559 | 79% | 0.785 | S | S | * | * | trans | -96.8 | 144.4 | 162 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | S421 Q425 | S421-S423 VanDerWaalsContact C-N 3.28Å; S421-S423 PolarHBondContact O-N 3.47Å; S423-Q425 VanDerWaalsContact C-N 3.27Å; S423-Q425 PolarHBondContact O-N 3.43Å | ||
| 424 | L | 24.9 | Very low | 28.5 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -75 | 81.3 | 173.2 | -71.9 | 169.1 | 0 | 0 | 0 | 109.4 | I426 | L424-I426 PolarHBondContact O-N 2.93Š| ||
| 425 | Q | 23.8 | Very low | 28.4 | Very low | 158 Ų | 158 | 138 Ų | 138 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -72 | 96.2 | 172.9 | -76.6 | -167 | -28.1 | 0 | 0 | 110.7 | S423 R427 | S423-Q425 VanDerWaalsContact C-N 3.27Å; S423-Q425 PolarHBondContact O-N 3.43Å; Q425-R427 PolarHBondContact O-N 3.14Å; Q425-R427 VanDerWaalsContact O-N 3.1Å | ||
| 426 | I | 24.7 | Very low | 28.2 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -61.5 | 109.4 | 163.2 | -60.6 | 173.1 | 0 | 0 | 0 | 107.5 | L424 L428 | L424-I426 PolarHBondContact O-N 2.93Å; I426-L428 HydrophobicContact CG2-CD1 4.38Å; I426-L428 PolarHBondContact O-N 3.36Å | ||
| 427 | R | 23.8 | Very low | 27.7 | Very low | 231 Ų | 231 | 133.6 Ų | 133.6 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -78.9 | 105.1 | 172.2 | -73.7 | -171.2 | 174.3 | -156.2 | -0.7 | 109.4 | Q425 A429 | Q425-R427 PolarHBondContact O-N 3.14Å; Q425-R427 VanDerWaalsContact O-N 3.1Å; R427-A429 PolarHBondContact O-N 3.09Å | ||
| 428 | L | 24.4 | Very low | 27.5 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -65 | 112.7 | 162.9 | -112.7 | 71.9 | 0 | 0 | 0 | 109 | I426 | I426-L428 HydrophobicContact CG2-CD1 4.38Å; I426-L428 PolarHBondContact O-N 3.36Å | ||
| 429 | A | 24.3 | Very low | 27.8 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -76 | 120.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108 | R427 L431 | R427-A429 PolarHBondContact O-N 3.09Å; A429-L431 PolarHBondContact O-N 2.82Å | ||
| 430 | R | 24.4 | Very low | 27.3 | Very low | 212 Ų | 212 | 134.7 Ų | 134.7 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -77.4 | 106.8 | 176.3 | -179.6 | 175 | 171.9 | 133.6 | 4.8 | 109 | D432 | R430-D432 IonicContact CZ-OD2 3.26Å; R430-D432 IonicContact NE-OD2 3.63Å; R430-D432 PolarHBondContact NE-OD2 2.59Å; R430-D432 IonicContact NH2-OD1 3.81Å; R430-D432 IonicContact NH2-OD2 2.75Å; R430-D432 PolarHBondContact NH2-OD2 2.72Å; R430-D432 VanDerWaalsContact NH2-OD2 3.12Å; R430-D432 PolarHBondContact O-N 3.35Å | ||
| 431 | L | 27.2 | Very low | 27.5 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -80.8 | 103.6 | 167.3 | -144.4 | 83 | 0 | 0 | 0 | 107.6 | A429 | A429-L431 PolarHBondContact O-N 2.82Š| ||
| 432 | D | 30.1 | Very low | 27.4 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 62% | 0.62 | 79% | 0.788 | S | S | * | * | trans | -91.9 | 125.6 | 165.7 | -106.3 | -62 | 0 | 0 | 0 | 108.1 | R430 S434 | R430-D432 IonicContact CZ-OD2 3.26Å; R430-D432 IonicContact NE-OD2 3.63Å; R430-D432 PolarHBondContact NE-OD2 2.59Å; R430-D432 IonicContact NH2-OD1 3.81Å; R430-D432 IonicContact NH2-OD2 2.75Å; R430-D432 PolarHBondContact NH2-OD2 2.72Å; R430-D432 VanDerWaalsContact NH2-OD2 3.12Å; R430-D432 PolarHBondContact O-N 3.35Å; D432-S434 PolarHBondContact O-N 3.41Å | ||
| 433 | D | 28.2 | Very low | 27.4 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -94.5 | 95.2 | -166 | -160.1 | -6.6 | 0 | 0 | 0 | 111.1 | ||||
| 434 | S | 28.8 | Very low | 27.4 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -158 | 85.6 | 179 | -79.2 | 0 | 0 | 0 | 0 | 113.5 | D432 | D432-S434 PolarHBondContact O-N 3.41Š| ||
| 435 | S | 32.1 | Very low | 27.4 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | 49.8 | 97.4 | 142.7 | -57.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 436 | G | 28.5 | Very low | 27.5 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 154.6 | 92.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 437 | C | 25.7 | Very low | 27.5 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 68.1 | 127.3 | 141.3 | -144.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 438 | S | 28.1 | Very low | 27.7 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | 69 | 103.3 | 150.2 | -65.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 439 | S | 31.7 | Very low | 27.6 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 62.2 | 137.4 | 136.8 | 69.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 440 | V | 27.7 | Very low | 27.7 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | cis | -154.7 | 139.8 | 43 | 166.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 441 | S | 30.8 | Very low | 27.7 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | 26.7 | 127.8 | 151.2 | -153.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 442 | G | 28.8 | Very low | 27.6 | Very low | 63 Ų | 63 | 125.5 Ų | 125.5 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | 153.6 | 113.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 443 | P | 30 | Very low | 27.4 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -84.8 | 116.2 | 179 | 31.9 | -32 | 0 | 0 | 0 | 112.4 | ||||
| 444 | L | 27.1 | Very low | 27.4 | Very low | 173 Ų | 173 | 125.1 Ų | 125.1 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -95.6 | 116.5 | 167.9 | -72.1 | 171.4 | 0 | 0 | 0 | 110 | A446 | L444-A446 PolarHBondContact O-N 2.62Š| ||
| 445 | A | 25.2 | Very low | 27.3 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -78.7 | 107.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 446 | A | 26.5 | Very low | 27.1 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -90.9 | 124.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | L444 Q448 | L444-A446 PolarHBondContact O-N 2.62Å; A446-Q448 PolarHBondContact O-N 3.34Å | ||
| 447 | L | 24.1 | Very low | 27.1 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -85.4 | 101.2 | 175.6 | -167.4 | 79.4 | 0 | 0 | 0 | 110 | I449 | L447-I449 HydrophobicContact CD2-CD1 4.26Å; L447-I449 HydrophobicContact CD2-CG1 4.42Å; L447-I449 HydrophobicContact CG-CG1 4.5Å | ||
| 448 | Q | 27 | Very low | 27.2 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -87 | 126.1 | 172.2 | -71.7 | -176.8 | -37.2 | 0 | 0 | 110.6 | A446 | A446-Q448 PolarHBondContact O-N 3.34Š| ||
| 449 | I | 24.2 | Very low | 27.2 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 68% | 0.677 | 79% | 0.793 | S | S | * | * | trans | -114.9 | 102.2 | 172.5 | -57.1 | 177.1 | 0 | 0 | 0 | 107.6 | L447 | L447-I449 HydrophobicContact CD2-CD1 4.26Å; L447-I449 HydrophobicContact CD2-CG1 4.42Å; L447-I449 HydrophobicContact CG-CG1 4.5Å | ||
| 450 | P | 24.6 | Very low | 26.9 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -76.4 | 125.7 | 177.4 | 29.9 | -32.5 | 0 | 0 | 0 | 110.5 | ||||
| 451 | V | 25.5 | Very low | 26.9 | Very low | 117 Ų | 117 | 137 Ų | 137 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | trans | -113.6 | 114.3 | 171.9 | -178 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 452 | Q | 24.5 | Very low | 26.8 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -84.2 | 127.9 | 173.6 | -70.9 | -174.9 | -31.2 | 0 | 0 | 110.1 | ||||
| 453 | I | 27.1 | Very low | 26.7 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 72% | 0.723 | 81% | 0.806 | S | S | * | * | trans | -103.7 | 118.5 | 176.3 | -58 | 175.2 | 0 | 0 | 0 | 108.6 | L455 | I453-L455 PolarHBondContact O-N 2.79Š| ||
| 454 | P | 26.8 | Very low | 26.6 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | trans | -74.4 | 113.4 | 171.7 | -11.9 | 27.8 | 0 | 0 | 0 | 110.3 | Q456 | P454-Q456 PolarHBondContact O-N 2.71Š| ||
| 455 | L | 26.3 | Very low | 26.6 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -76.4 | 108.1 | 168.8 | -75.2 | 168.4 | 0 | 0 | 0 | 109.9 | I453 | I453-L455 PolarHBondContact O-N 2.79Š| ||
| 456 | Q | 28.5 | Very low | 26.7 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -100.7 | 115.2 | 159.1 | -72.6 | -158.4 | -11.8 | 0 | 0 | 109.7 | P454 | P454-Q456 PolarHBondContact O-N 2.71Š| ||
| 457 | I | 29.7 | Very low | 26.8 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | trans | -93.3 | 107.2 | 177 | -58.1 | 172.7 | 0 | 0 | 0 | 108.1 | ||||
| 458 | T | 26.9 | Very low | 26.9 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -101.7 | 100.5 | 167.9 | 44.3 | 0 | 0 | 0 | 0 | 110 | L460 | T458-L460 PolarHBondContact O-N 2.68Š| ||
| 459 | H | 27.9 | Very low | 26.9 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -64.9 | 118.9 | 168.4 | -88.5 | -99.3 | 0 | 0 | 0 | 110.3 | ||||
| 460 | L | 26.5 | Very low | 27 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -117.5 | 92.9 | 154.5 | -86.4 | 166.9 | 0 | 0 | 0 | 107.2 | T458 | T458-L460 PolarHBondContact O-N 2.68Š| ||
| 461 | A | 27.6 | Very low | 27 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -70.3 | 138.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 462 | S | 27.9 | Very low | 27.6 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -119.2 | 134.5 | 159.8 | -165.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 463 | D | 26.8 | Very low | 27.5 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -68.5 | 155.7 | -164.7 | -78.9 | -59.2 | 0 | 0 | 0 | 114.5 | ||||
| 464 | A | 27.5 | Very low | 27.5 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -87.4 | 161.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 465 | A | 27.7 | Very low | 28.1 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -154.2 | 126.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 466 | A | 28 | Very low | 28.3 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | 65.6 | 139.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 467 | D | 27.1 | Very low | 28.8 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | cis | -158 | 169 | -5.7 | -149.1 | -11.2 | 0 | 0 | 0 | 111.7 | ||||
| 468 | G | 26.9 | Very low | 28.6 | Very low | 59 Ų | 59 | 128.6 Ų | 128.6 | 61% | 0.608 | 82% | 0.818 | S | S | * | * | trans | 79.6 | 90.5 | 146.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 469 | D | 27.8 | Very low | 28.7 | Very low | 170 Ų | 170 | 130 Ų | 130 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | 47.3 | 129.2 | 145 | -67.8 | -12.1 | 0 | 0 | 0 | 123 | ||||
| 470 | A | 25.1 | Very low | 28.6 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -95.1 | 138.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 471 | I | 25.1 | Very low | 28.5 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -125.8 | 126.4 | 166.2 | -57.5 | 179.3 | 0 | 0 | 0 | 108.5 | ||||
| 472 | T | 37.7 | Very low | 28.6 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -89 | 121.1 | -174.3 | 36.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 473 | L | 23.5 | Very low | 28.5 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -143.8 | 123.6 | 162.5 | -80.7 | -178.6 | 0 | 0 | 0 | 113.7 | ||||
| 474 | N | 26.5 | Very low | 28.6 | Very low | 147 Ų | 147 | 131 Ų | 131 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | 51.6 | 129.7 | 145.1 | -61.9 | -22.9 | 0 | 0 | 0 | 122.1 | G476 | N474-G476 PolarHBondContact O-N 2.96Š| ||
| 475 | S | 40.1 | Very low | 29 | Very low | 135 Ų | 135 | 129 Ų | 129 | 94% | 0.944 | 78% | 0.776 | S | S | * | * | trans | -57.7 | 119.3 | 158.6 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 476 | G | 30.8 | Very low | 29.3 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | 177.1 | 103.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N474 | N474-G476 PolarHBondContact O-N 2.96Š| ||
| 477 | A | 37.1 | Very low | 29.9 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | 41.8 | 91.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 478 | L | 27.3 | Very low | 30.4 | Very low | 176 Ų | 176 | 127 Ų | 127 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | trans | -117.3 | 134 | 149.8 | -72.9 | 177.5 | 0 | 0 | 0 | 109.4 | ||||
| 479 | Q | 27.3 | Very low | 30.9 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | -84.2 | 120.1 | -170.6 | -67.8 | 165.3 | -22.5 | 0 | 0 | 110.8 | F481 | Q479-F481 HydrophobicContact CB-CD2 4.33Å; Q479-F481 HydrophobicContact CB-CE2 3.89Å; Q479-F481 HydrophobicContact CB-CZ 4.19Å; Q479-F481 WeakPolarHBondContact O-CD2 2.98Å; Q479-F481 PolarHBondContact O-N 2.83Å | ||
| 480 | T | 27.1 | Very low | 31.5 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 87% | 0.871 | 71% | 0.711 | S | S | * | * | trans | -73.9 | 103.2 | 163.2 | 45 | 0 | 0 | 0 | 0 | 109.2 | E482 | T480-E482 PolarHBondContact O-N 3.42Š| ||
| 481 | F | 24.2 | Very low | 32.2 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | -75 | 103.2 | 174.4 | -70.7 | -88 | 0 | 0 | 0 | 110.5 | Q479 I483 | Q479-F481 HydrophobicContact CB-CD2 4.33Å; Q479-F481 HydrophobicContact CB-CE2 3.89Å; Q479-F481 HydrophobicContact CB-CZ 4.19Å; Q479-F481 WeakPolarHBondContact O-CD2 2.98Å; Q479-F481 PolarHBondContact O-N 2.83Å; F481-I483 PolarHBondContact O-N 2.83Å; F481-I483 VanDerWaalsContact O-N 3.16Å | ||
| 482 | E | 28.6 | Very low | 33 | Very low | 160 Ų | 160 | 119.6 Ų | 119.6 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | trans | -78.3 | 94.4 | 170.4 | -167.3 | 179.9 | -162.9 | 0 | 0 | 109.9 | T480 L484 | T480-E482 PolarHBondContact O-N 3.42Å; E482-L484 HydrophobicContact CG-CD2 4.24Å; E482-L484 HydrophobicContact CG-CG 4.14Å; E482-L484 PolarHBondContact O-N 3.49Å; E482-L484 VanDerWaalsContact O-N 3.12Å | ||
| 483 | I | 26.9 | Very low | 33.1 | Very low | 146 Ų | 146 | 117 Ų | 117 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | trans | -82.2 | 86.6 | 174.4 | -55 | 178.9 | 0 | 0 | 0 | 108.5 | F481 P485 | F481-I483 PolarHBondContact O-N 2.83Å; F481-I483 VanDerWaalsContact O-N 3.16Å; I483-P485 VanDerWaalsContact O-CD 3.3Å; I483-P485 WeakPolarHBondContact O-CD 3.36Å | ||
| 484 | L | 29.3 | Very low | 33.7 | Very low | 129 Ų | 129 | 114 Ų | 114 | 68% | 0.675 | 66% | 0.661 | S | S | * | * | trans | -68.8 | 117.2 | 169.6 | -68.8 | 172.9 | 0 | 0 | 0 | 109.8 | E482 S486 | E482-L484 HydrophobicContact CG-CD2 4.24Å; E482-L484 HydrophobicContact CG-CG 4.14Å; E482-L484 PolarHBondContact O-N 3.49Å; E482-L484 VanDerWaalsContact O-N 3.12Å; L484-S486 PolarHBondContact O-N 3.36Å | ||
| 485 | P | 35.2 | Very low | 34.1 | Very low | 60 Ų | 60 | 112.9 Ų | 112.9 | 39% | 0.39 | 66% | 0.662 | S | S | . | * | trans | -66.9 | 131.4 | 176.2 | 26 | -32.6 | 0 | 0 | 0 | 110.9 | I483 F487 | I483-P485 VanDerWaalsContact O-CD 3.3Å; I483-P485 WeakPolarHBondContact O-CD 3.36Å; P485-F487 HydrophobicContact CB-CE2 4.33Å; P485-F487 HydrophobicContact CB-CZ 4.09Å; P485-F487 HydrophobicContact CG-CE2 3.79Å; P485-F487 HydrophobicContact CG-CZ 3.64Å; P485-F487 WeakPolarHBondContact O-CD2 3.4Å; P485-F487 WeakPolarHBondContact O-CE2 3.45Å; P485-F487 PolarHBondContact O-N 3.24Å | ||
| 486 | S | 34.3 | Very low | 33.8 | Very low | 92 Ų | 92 | 107.8 Ų | 107.8 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | trans | -83.3 | 106.1 | 179.7 | 44.1 | 0 | 0 | 0 | 0 | 111.4 | L484 | L484-S486 PolarHBondContact O-N 3.36Š| ||
| 487 | F | 40.3 | Very low | 34 | Very low | 101 Ų | 101 | 105 Ų | 105 | 44% | 0.443 | 60% | 0.601 | S | S | . | * | trans | -86.8 | 139.4 | 175 | -56.3 | -76.1 | 0 | 0 | 0 | 111.6 | P485 L500 T502 L508 | P485-F487 HydrophobicContact CB-CE2 4.33Å; P485-F487 HydrophobicContact CB-CZ 4.09Å; P485-F487 HydrophobicContact CG-CE2 3.79Å; P485-F487 HydrophobicContact CG-CZ 3.64Å; P485-F487 WeakPolarHBondContact O-CD2 3.4Å; P485-F487 WeakPolarHBondContact O-CE2 3.45Å; P485-F487 PolarHBondContact O-N 3.24Å; F487-L500 HydrophobicContact CB-CD2 3.93Å; F487-L500 HydrophobicContact CD1-CD2 3.83Å; F487-L500 HydrophobicContact CG-CD2 3.87Å; F487-T502 HydrophobicContact CD1-CG2 3.88Å; F487-T502 HydrophobicContact CE1-CG2 3.81Å; F487-L508 HydrophobicContact CE1-CD2 4.34Å | ||
| 488 | Q | 37.4 | Very low | 34.1 | Very low | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.6 | 176.5 | -155.2 | 166.1 | 15.1 | 0 | 0 | 110.2 | Q501 | Q488-Q501 PolarHBondContact N-O 2.64Å; Q488-Q501 PolarHBondContact O-N 2.98Å |
| 489 | L | 36.8 | Very low | 34.6 | Very low | 106 Ų | 106 | 99.8 Ų | 99.8 | 56% | 0.555 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.9 | 179.9 | -73 | 169.2 | 0 | 0 | 0 | 110.7 | F498 Y499 L500 | L489-F498 HydrophobicContact CD2-CB 4.09Å; L489-Y499 WeakPolarHBondContact CA-O 3.49Å; L489-L500 HydrophobicContact CD2-CD1 3.54Å; L489-L500 HydrophobicContact CD2-CG 3.82Å |
| 490 | Q | 41 | Very low | 35.1 | Very low | 93 Ų | 93 | 95 Ų | 95 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.9 | 171.8 | -72 | -165.5 | -3.9 | 0 | 0 | 111.4 | F498 Y499 | Q490-F498 WeakPolarHBondContact O-CA 3.47Å; Q490-Y499 PolarHBondContact N-O 2.83Å; Q490-Y499 PolarHBondContact O-N 3.28Å |
| 491 | P | 40.7 | Very low | 35.7 | Very low | 101 Ų | 101 | 89.9 Ų | 89.9 | 66% | 0.656 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 132 | 173.6 | -18.8 | 31.6 | 0 | 0 | 0 | 111.7 | G493 F498 | P491-G493 VanDerWaalsContact C-N 3.28Å; P491-G493 PolarHBondContact O-N 2.9Å; P491-F498 HydrophobicContact CB-CD1 4.34Å; P491-F498 HydrophobicContact CB-CE1 4.35Å; P491-F498 HydrophobicContact CG-CD1 4.33Å; P491-F498 HydrophobicContact CG-CE1 4.26Å |
| 492 | T | 41.4 | Very low | 36.6 | Very low | 37 Ų | 37 | 84.9 Ų | 84.9 | 23% | 0.227 | 48% | 0.479 | C | S | . | . | trans | -84.6 | 3 | -175 | 71.1 | 0 | 0 | 0 | 0 | 114.4 | T494 T497 Y499 | T492-T494 VanDerWaalsContact C-N 3.27Å; T492-T497 HydrophobicContact CG2-CG2 4.01Å; T492-T497 PolarHBondContact N-O 3.43Å; T492-T497 WeakPolarHBondContact OG1-CB 3.37Å; T492-T497 WeakPolarHBondContact OG1-CG2 3.41Å; T492-T497 PolarHBondContact OG1-O 3.04Å; T492-Y499 HydrophobicContact CG2-CD1 3.93Å; T492-Y499 HydrophobicContact CG2-CD2 3.62Å; T492-Y499 HydrophobicContact CG2-CE1 3.94Å; T492-Y499 HydrophobicContact CG2-CE2 3.62Å; T492-Y499 HydrophobicContact CG2-CG 3.76Å | ||
| 493 | G | 39 | Very low | 37 | Very low | 77 Ų | 77 | 81.7 Ų | 81.7 | 79% | 0.794 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 84.7 | -8.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P491 | P491-G493 VanDerWaalsContact C-N 3.28Å; P491-G493 PolarHBondContact O-N 2.9Å |
| 494 | T | 37.3 | Very low | 37.7 | Very low | 86 Ų | 86 | 79.7 Ų | 79.7 | 53% | 0.528 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -101 | 131.7 | 172.2 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | T492 T497 | T492-T494 VanDerWaalsContact C-N 3.27Å; T494-T497 PolarHBondContact O-N 3.09Å |
| 495 | P | 33.5 | Very low | 38.2 | Very low | 124 Ų | 124 | 81.4 Ų | 81.4 | 81% | 0.805 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 139.9 | 175.8 | -26 | 35.2 | 0 | 0 | 0 | 112.4 | T497 | P495-T497 PolarHBondContact O-N 3.1Å; P495-T497 PolarHBondContact O-OG1 3.43Å |
| 496 | G | 34.8 | Very low | 38.4 | Very low | 29 Ų | 29 | 84.8 Ų | 84.8 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 19 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S536 | G496-S536 WeakPolarHBondContact CA-OG 3.27Å; G496-S536 PolarHBondContact O-N 2.53Å; G496-S536 VanDerWaalsContact O-N 3.14Å; G496-S536 PolarHBondContact O-OG 2.66Å |
| 497 | T | 35.4 | Very low | 38.6 | Very low | 8 Ų | 8 | 85.9 Ų | 85.9 | 5% | 0.049 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.9 | -177.7 | -48.8 | 0 | 0 | 0 | 0 | 111.6 | T492 T494 P495 I533 L534 H535 | T492-T497 HydrophobicContact CG2-CG2 4.01Å; T492-T497 PolarHBondContact N-O 3.43Å; T492-T497 WeakPolarHBondContact OG1-CB 3.37Å; T492-T497 WeakPolarHBondContact OG1-CG2 3.41Å; T492-T497 PolarHBondContact OG1-O 3.04Å; T494-T497 PolarHBondContact O-N 3.09Å; P495-T497 PolarHBondContact O-N 3.1Å; P495-T497 PolarHBondContact O-OG1 3.43Å; T497-I533 HydrophobicContact CG2-CG2 3.55Å; T497-L534 WeakPolarHBondContact CA-O 3.07Å; T497-H535 PolarHBondContact OG1-ND1 2.83Å |
| 498 | F | 39 | Very low | 38.4 | Very low | 90 Ų | 90 | 84.8 Ų | 84.8 | 40% | 0.395 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.2 | -176.6 | -56.1 | -88.8 | 0 | 0 | 0 | 111.6 | L489 Q490 P491 L534 | L489-F498 HydrophobicContact CD2-CB 4.09Å; Q490-F498 WeakPolarHBondContact O-CA 3.47Å; P491-F498 HydrophobicContact CB-CD1 4.34Å; P491-F498 HydrophobicContact CB-CE1 4.35Å; P491-F498 HydrophobicContact CG-CD1 4.33Å; P491-F498 HydrophobicContact CG-CE1 4.26Å; F498-L534 PolarHBondContact N-O 3.39Å; F498-L534 PolarHBondContact O-N 3.04Å |
| 499 | Y | 37.7 | Very low | 38.1 | Very low | 76 Ų | 76 | 85 Ų | 85 | 30% | 0.298 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.8 | 163.5 | -66.1 | -54.7 | 0 | 0 | 0 | 109.6 | L489 Q490 T492 H531 I532 I533 | L489-Y499 WeakPolarHBondContact CA-O 3.49Å; Q490-Y499 PolarHBondContact N-O 2.83Å; Q490-Y499 PolarHBondContact O-N 3.28Å; T492-Y499 HydrophobicContact CG2-CD1 3.93Å; T492-Y499 HydrophobicContact CG2-CD2 3.62Å; T492-Y499 HydrophobicContact CG2-CE1 3.94Å; T492-Y499 HydrophobicContact CG2-CE2 3.62Å; T492-Y499 HydrophobicContact CG2-CG 3.76Å; Y499-H531 HydrophobicContact CD1-CB 3.83Å; Y499-H531 HydrophobicContact CE1-CB 4.06Å; Y499-H531 AromaticContact CG-ND1 3.87Å; Y499-I532 WeakPolarHBondContact CA-O 3.47Å; Y499-I533 HydrophobicContact CD1-CG1 4.05Å; Y499-I533 HydrophobicContact CE1-CD1 4.15Å; Y499-I533 HydrophobicContact CE1-CG1 3.75Å |
| 500 | L | 37.6 | Very low | 37.8 | Very low | 53 Ų | 53 | 86.3 Ų | 86.3 | 28% | 0.277 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 136.1 | 154.1 | -97 | 92.3 | 0 | 0 | 0 | 109.4 | F487 L489 I532 L534 | F487-L500 HydrophobicContact CB-CD2 3.93Å; F487-L500 HydrophobicContact CD1-CD2 3.83Å; F487-L500 HydrophobicContact CG-CD2 3.87Å; L489-L500 HydrophobicContact CD2-CD1 3.54Å; L489-L500 HydrophobicContact CD2-CG 3.82Å; L500-I532 PolarHBondContact N-O 3.35Å; L500-L534 HydrophobicContact CD1-CD1 3.65Å |
| 501 | Q | 40.4 | Very low | 37 | Very low | 34 Ų | 34 | 87.3 Ų | 87.3 | 16% | 0.159 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.1 | 171.9 | -166.4 | 168.3 | 21.4 | 0 | 0 | 109 | Q488 Q529 | Q488-Q501 PolarHBondContact N-O 2.64Å; Q488-Q501 PolarHBondContact O-N 2.98Å; Q501-Q529 VanDerWaalsContact NE2-CD 3.34Å; Q501-Q529 VanDerWaalsContact NE2-NE2 3.14Å; Q501-Q529 VanDerWaalsContact NE2-OE1 3.16Å |
| 502 | T | 41.5 | Very low | 36.3 | Very low | 57 Ų | 57 | 90.7 Ų | 90.7 | 35% | 0.35 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 149.3 | 171.8 | 52.3 | 0 | 0 | 0 | 0 | 110.2 | F487 L508 | F487-T502 HydrophobicContact CD1-CG2 3.88Å; F487-T502 HydrophobicContact CE1-CG2 3.81Å; T502-L508 HydrophobicContact CG2-CD2 4.23Å |
| 503 | T | 38.1 | Very low | 35.4 | Very low | 92 Ų | 92 | 93.8 Ų | 93.8 | 56% | 0.564 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 139.8 | 164.4 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 504 | S | 41 | Very low | 34.8 | Very low | 105 Ų | 105 | 96.6 Ų | 96.6 | 73% | 0.734 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -52.2 | 144.4 | -170.2 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 505 | N | 39.7 | Very low | 34.3 | Very low | 165 Ų | 165 | 99.7 Ų | 99.7 | 88% | 0.882 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 82 | 26.5 | 175.8 | -53.9 | -19.3 | 0 | 0 | 0 | 117.3 | ||
| 506 | Q | 40 | Very low | 33.8 | Very low | 130 Ų | 130 | 99 Ų | 99 | 61% | 0.607 | 58% | 0.575 | S | S | * | * | trans | -127.2 | 119.4 | 157.4 | -68.8 | -172.5 | -5.6 | 0 | 0 | 110.7 | ||||
| 507 | S | 37.2 | Very low | 33.3 | Very low | 115 Ų | 115 | 103.1 Ų | 103.1 | 80% | 0.804 | 59% | 0.594 | S | S | * | * | trans | -79.7 | 134.8 | 173.1 | 51.7 | 0 | 0 | 0 | 0 | 110.6 | P509 | S507-P509 WeakPolarHBondContact O-CD 3.23Š| ||
| 508 | L | 36.6 | Very low | 32.7 | Very low | 79 Ų | 79 | 109.8 Ų | 109.8 | 41% | 0.414 | 64% | 0.635 | S | S | . | * | trans | -69.8 | 123.9 | 178.1 | -69.2 | 167.4 | 0 | 0 | 0 | 111 | F487 T502 L510 I532 | F487-L508 HydrophobicContact CE1-CD2 4.34Å; T502-L508 HydrophobicContact CG2-CD2 4.23Å; L508-L510 HydrophobicContact CB-CD1 4.44Å; L508-L510 HydrophobicContact CB-CG 4.27Å; L508-L510 PolarHBondContact O-N 3.32Å; L508-I532 HydrophobicContact CD1-CD1 3.64Å | ||
| 509 | P | 32 | Very low | 32 | Very low | 128 Ų | 128 | 110.4 Ų | 110.4 | 83% | 0.831 | 65% | 0.646 | S | S | * | * | trans | -78.5 | 89.1 | 174.7 | 31.6 | -32.9 | 0 | 0 | 0 | 110 | S507 | S507-P509 WeakPolarHBondContact O-CD 3.23Š| ||
| 510 | L | 29 | Very low | 31.2 | Very low | 134 Ų | 134 | 115 Ų | 115 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | trans | -110.5 | 116.3 | 176.4 | -67.6 | 177.4 | 0 | 0 | 0 | 111 | L508 I532 | L508-L510 HydrophobicContact CB-CD1 4.44Å; L508-L510 HydrophobicContact CB-CG 4.27Å; L508-L510 PolarHBondContact O-N 3.32Å; L510-I532 HydrophobicContact CD1-CD1 4.29Å | ||
| 511 | S | 24.4 | Very low | 30.6 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 79% | 0.79 | 70% | 0.698 | S | S | * | * | trans | -133.3 | 129.4 | 167.1 | -177.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 512 | L | 25.8 | Very low | 30.2 | Very low | 173 Ų | 173 | 123.9 Ų | 123.9 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | trans | -139 | 122.7 | 179.1 | -78.5 | 172.2 | 0 | 0 | 0 | 110 | ||||
| 513 | S | 23.6 | Very low | 29.4 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -147.4 | 149.4 | 167.9 | 66.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 514 | N | 26.4 | Very low | 28.9 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | S | Bend | cis | -123.1 | 159.4 | 6.9 | -82.5 | -55.6 | 0 | 0 | 0 | 112.2 | ||
| 515 | N | 25.7 | Very low | 28.1 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 66.5 | 121.2 | 165.2 | -47.7 | -28.5 | 0 | 0 | 0 | 117.1 | ||
| 516 | S | 24.7 | Very low | 28.4 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | cis | -174.3 | 145.9 | -13.3 | 38.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 517 | T | 23.6 | Very low | 27.7 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | cis | -164.3 | 123 | -19.1 | -73.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 518 | V | 23.3 | Very low | 27.4 | Very low | 147 Ų | 147 | 123.5 Ų | 123.5 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -138.4 | 126.8 | 154.4 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 519 | T | 24 | Very low | 27.1 | Very low | 103 Ų | 103 | 126 Ų | 126 | 63% | 0.632 | 78% | 0.782 | S | S | * | * | trans | -99.1 | 145.2 | 174.8 | -49.1 | 0 | 0 | 0 | 0 | 110.1 | T521 | T519-T521 HydrophobicContact CG2-CG2 4.33Š| ||
| 520 | L | 21.5 | Very low | 27.2 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -144 | 149.1 | 140.7 | -91.9 | -172.2 | 0 | 0 | 0 | 110.8 | ||||
| 521 | T | 23.9 | Very low | 27.5 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -103.9 | 144.7 | -168.7 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | T519 | T519-T521 HydrophobicContact CG2-CG2 4.33Š| ||
| 522 | T | 31.4 | Very low | 28 | Very low | 148 Ų | 148 | 124 Ų | 124 | 91% | 0.908 | 75% | 0.747 | S | S | * | * | trans | -74.7 | 140.3 | 178.3 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 523 | G | 25.4 | Very low | 28.2 | Very low | 68 Ų | 68 | 120.1 Ų | 120.1 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | -140.9 | 84.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 524 | S | 27.1 | Very low | 28.5 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 52.5 | 113.5 | 162.6 | 58.7 | 0 | 0 | 0 | 0 | 120.3 | ||
| 525 | S | 25.9 | Very low | 28.5 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | trans | 75.7 | 153.2 | 153.5 | -69.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 526 | P | 44.2 | Very low | 28.7 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | trans | -104.7 | 135.2 | -145.2 | 36.7 | -32.8 | 0 | 0 | 0 | 115.2 | ||||
| 527 | S | 26.9 | Very low | 28.7 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | -159.9 | 150.1 | 149.6 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 528 | S | 29.1 | Very low | 28.9 | Very low | 118 Ų | 118 | 119.8 Ų | 119.8 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 71.8 | 159.4 | 172.4 | -47 | 0 | 0 | 0 | 0 | 116.6 | ||
| 529 | Q | 32.3 | Very low | 29.2 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 61% | 0.607 | 71% | 0.712 | S | S | * | * | trans | -86.7 | 136.4 | -169 | -68.1 | 166.7 | -35.4 | 0 | 0 | 111.6 | Q501 H531 | Q501-Q529 VanDerWaalsContact NE2-CD 3.34Å; Q501-Q529 VanDerWaalsContact NE2-NE2 3.14Å; Q501-Q529 VanDerWaalsContact NE2-OE1 3.16Å; Q529-H531 PolarHBondContact O-CD2 3.15Å; Q529-H531 VanDerWaalsContact O-CD2 3.32Å | ||
| 530 | E | 32.9 | Very low | 29.3 | Very low | 178 Ų | 178 | 119.2 Ų | 119.2 | 83% | 0.832 | 71% | 0.712 | S | S | * | * | trans | -79 | 128.4 | 168.1 | -65 | -175.1 | 154.6 | 0 | 0 | 109.6 | ||||
| 531 | H | 35.1 | Very low | 29.7 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 38% | 0.375 | 71% | 0.708 | S | S | . | * | trans | -120.6 | 117.6 | -179.2 | -72.9 | -92.8 | 0 | 0 | 0 | 110.1 | Y499 Q529 | Y499-H531 HydrophobicContact CD1-CB 3.83Å; Y499-H531 HydrophobicContact CE1-CB 4.06Å; Y499-H531 AromaticContact CG-ND1 3.87Å; Q529-H531 PolarHBondContact O-CD2 3.15Å; Q529-H531 VanDerWaalsContact O-CD2 3.32Å | ||
| 532 | I | 35.3 | Very low | 29.9 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 39% | 0.385 | 72% | 0.715 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 137.4 | 173.2 | -60.3 | 178.5 | 0 | 0 | 0 | 109.2 | Y499 L500 L508 L510 | Y499-I532 WeakPolarHBondContact CA-O 3.47Å; L500-I532 PolarHBondContact N-O 3.35Å; L508-I532 HydrophobicContact CD1-CD1 3.64Å; L510-I532 HydrophobicContact CD1-CD1 4.29Å |
| 533 | I | 30.7 | Very low | 29.6 | Very low | 92 Ų | 92 | 121 Ų | 121 | 47% | 0.472 | 71% | 0.71 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 126.6 | 179.8 | -60.6 | 176.5 | 0 | 0 | 0 | 109 | T497 Y499 | T497-I533 HydrophobicContact CG2-CG2 3.55Å; Y499-I533 HydrophobicContact CD1-CG1 4.05Å; Y499-I533 HydrophobicContact CE1-CD1 4.15Å; Y499-I533 HydrophobicContact CE1-CG1 3.75Å |
| 534 | L | 29.3 | Very low | 29.6 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 52% | 0.524 | 72% | 0.718 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.8 | 173.1 | -92.1 | 153.9 | 0 | 0 | 0 | 110.8 | T497 F498 L500 | T497-L534 WeakPolarHBondContact CA-O 3.07Å; F498-L534 PolarHBondContact N-O 3.39Å; F498-L534 PolarHBondContact O-N 3.04Å; L500-L534 HydrophobicContact CD1-CD1 3.65Å |
| 535 | H | 26.8 | Very low | 29.7 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 66% | 0.662 | 72% | 0.716 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.1 | 175.8 | -66.4 | -65.9 | 0 | 0 | 0 | 110.6 | T497 | T497-H535 PolarHBondContact OG1-ND1 2.83Å |
| 536 | S | 29 | Very low | 29.8 | Very low | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -96 | 137.7 | 168.3 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | G496 | G496-S536 WeakPolarHBondContact CA-OG 3.27Å; G496-S536 PolarHBondContact O-N 2.53Å; G496-S536 VanDerWaalsContact O-N 3.14Å; G496-S536 PolarHBondContact O-OG 2.66Å |
| 537 | L | 25.2 | Very low | 29 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 93% | 0.932 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 147.8 | 175.9 | -65.5 | 173.8 | 0 | 0 | 0 | 111.9 | ||
| 538 | S | 26.6 | Very low | 28.9 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 137.8 | -178.8 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | S540 | S538-S540 PolarHBondContact O-N 3.36Å; S538-S540 PolarHBondContact OG-OG 2.81Å |
| 539 | V | 30.3 | Very low | 28.8 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | trans | -84 | 101.4 | 172.8 | -178 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 540 | S | 26.4 | Very low | 28.5 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 73% | 0.727 | S | S | * | * | trans | -143.1 | 57.9 | -173.8 | -66.2 | 0 | 0 | 0 | 0 | 113.4 | S538 | S538-S540 PolarHBondContact O-N 3.36Å; S538-S540 PolarHBondContact OG-OG 2.81Å | ||
| 541 | H | 28.9 | Very low | 28.1 | Very low | 179 Ų | 179 | 130 Ų | 130 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | trans | -169 | 102.4 | 160.8 | -109.9 | -75.2 | 0 | 0 | 0 | 112 | ||||
| 542 | L | 28.2 | Very low | 27.8 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | -152.1 | 137.7 | 151.2 | -82.2 | -171 | 0 | 0 | 0 | 108.8 | ||||
| 543 | V | 25.9 | Very low | 27.5 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -120.7 | 133.3 | 178 | 174.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 544 | F | 26.1 | Very low | 27.4 | Very low | 199 Ų | 199 | 134 Ų | 134 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | trans | -90.1 | 135.9 | 177.6 | -75.5 | -84.2 | 0 | 0 | 0 | 112.4 | ||||
| 545 | P | 28.9 | Very low | 27.2 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | -100.6 | 178.4 | 137.8 | 34.7 | -27.6 | 0 | 0 | 0 | 110.7 | ||||
| 546 | A | 26.8 | Very low | 27.1 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -116.3 | 161.3 | -157.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 547 | Q | 27.4 | Very low | 26.9 | Very low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | 60.9 | 111.6 | 160.6 | -68.3 | -178.5 | -9.6 | 0 | 0 | 119.7 | ||||
| 548 | T | 25.8 | Very low | 27 | Very low | 143 Ų | 143 | 135 Ų | 135 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | -168.4 | 169.8 | 110.6 | 16.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 549 | D | 26 | Very low | 26.9 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -83.9 | 150 | -167.5 | -58.2 | -85.7 | 0 | 0 | 0 | 116 | ||||
| 550 | G | 26.4 | Very low | 26.5 | Very low | 69 Ų | 69 | 138.2 Ų | 138.2 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | 110.2 | 118.3 | 132.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 551 | L | 25.5 | Very low | 26.5 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 96% | 0.963 | 82% | 0.824 | S | S | * | * | trans | 71 | 154.6 | 157.4 | -64.1 | 167.1 | 0 | 0 | 0 | 118 | ||||
| 552 | C | 28.3 | Very low | 26.4 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | trans | -103.7 | 130.7 | -162.7 | -51.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 553 | S | 28.3 | Very low | 26.4 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -156.2 | 159.4 | 146.3 | -80.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 554 | G | 29.1 | Very low | 26.5 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -85 | 123 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G556 | G554-G556 PolarHBondContact O-N 3.29Š| ||
| 555 | D | 24.3 | Very low | 26.7 | Very low | 168 Ų | 168 | 131 Ų | 131 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | trans | -75 | 112.9 | 169.3 | -72.5 | -43.7 | 0 | 0 | 0 | 111.2 | ||||
| 556 | G | 25.6 | Very low | 27 | Very low | 67 Ų | 67 | 130.7 Ų | 130.7 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -90.5 | 126.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | G554 I558 | G554-G556 PolarHBondContact O-N 3.29Å; G556-I558 PolarHBondContact O-N 3.22Å | ||
| 557 | V | 24.7 | Very low | 27.1 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -75.1 | 109.2 | 177 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | I559 | V557-I559 HydrophobicContact CG1-CG1 3.98Š| ||
| 558 | I | 26.8 | Very low | 27.9 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -84.6 | 117.3 | 167.9 | -59.1 | 175.4 | 0 | 0 | 0 | 108.2 | G556 | G556-I558 PolarHBondContact O-N 3.22Š| ||
| 559 | I | 25.4 | Very low | 28.4 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 74% | 0.744 | 83% | 0.832 | S | S | * | * | trans | -100 | 111.7 | 169.6 | -57.5 | -177.5 | 0 | 0 | 0 | 108.4 | V557 | V557-I559 HydrophobicContact CG1-CG1 3.98Š| ||
| 560 | Q | 22.5 | Very low | 28.5 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | trans | -96.5 | 114.2 | 176.3 | -169.3 | 174.4 | 15.9 | 0 | 0 | 109.4 | V562 | Q560-V562 PolarHBondContact O-N 3.04Š| ||
| 561 | T | 26.5 | Very low | 28.6 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | trans | -78.6 | 113.5 | -179.8 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 562 | V | 25 | Very low | 28.8 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | -83.4 | 113.1 | 168.2 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | Q560 | Q560-V562 PolarHBondContact O-N 3.04Š| ||
| 563 | S | 29.4 | Very low | 28.8 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 132.3 | 168.5 | -61.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 564 | A | 28.2 | Very low | 28.8 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 130.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 565 | D | 29.4 | Very low | 28.8 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 145.9 | 179.6 | -86.9 | -46 | 0 | 0 | 0 | 112.3 | ||
| 566 | P | 34.8 | Very low | 29.1 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 132.2 | 170.9 | 31 | -33.2 | 0 | 0 | 0 | 110.8 | ||
| 567 | A | 29.8 | Very low | 29.4 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 136.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 568 | P | 44.1 | Very low | 29.8 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 161 | 171.7 | 36.2 | -37 | 0 | 0 | 0 | 110.8 | ||
| 569 | S | 35.5 | Very low | 30.1 | Very low | 191 Ų | 191 | 132.6 Ų | 132.6 | 100% | 1.336 | 83% | 0.834 | S | S | * | * | cis | -139 | 0 | 12.5 | -37.3 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 569 of 569 residues in 92 ms
(Link to these results)