| 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 | S | 43 | Very low | 33.2 | Very low | 171 Ų | 171 | 157.5 Ų | 157.5 | 100% | 1.196 | 83% | 0.829 | S | S | * | * | 0 | 83.5 | 0 | -49.4 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 2 | E | 29.8 | Very low | 33.2 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | 173.4 | 149.8 | -169.5 | -98.3 | 169.3 | 144.1 | 0 | 0 | 102.4 | ||||
| 3 | L | 31.3 | Very low | 33.2 | Very low | 140 Ų | 140 | 153.7 Ų | 153.7 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | cis | -164.1 | 173.5 | -20.5 | -120.8 | 174.7 | 0 | 0 | 0 | 104.3 | ||||
| 4 | I | 33.3 | Very low | 33.5 | Very low | 142 Ų | 142 | 152.9 Ų | 152.9 | 73% | 0.728 | 82% | 0.818 | S | S | * | * | trans | 69.6 | 135.5 | 165.1 | -60.3 | 150.6 | 0 | 0 | 0 | 114.8 | ||||
| 5 | N | 28.8 | Very low | 33.7 | Very low | 140 Ų | 140 | 157.7 Ų | 157.7 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | cis | -146.2 | 157.1 | -9.7 | -111.7 | 3.3 | 0 | 0 | 0 | 110 | ||||
| 6 | N | 38.8 | Very low | 33.9 | Very low | 157 Ų | 157 | 153.1 Ų | 153.1 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -128.8 | 82.8 | -179.1 | 178.1 | 76.8 | 0 | 0 | 0 | 110.6 | ||||
| 7 | E | 36.5 | Very low | 34 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -147.9 | 105.8 | 171.9 | -71.1 | -163.9 | 120.2 | 0 | 0 | 111.6 | ||||
| 8 | N | 28.5 | Very low | 34.2 | Very low | 137 Ų | 137 | 153.5 Ų | 153.5 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | 173 | 104.4 | 120.6 | -98.5 | -32.8 | 0 | 0 | 0 | 111.4 | |||||
| 9 | C | 29.7 | Very low | 34.4 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | -128.7 | 95.5 | 148.9 | -84.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 10 | R | 31.4 | Very low | 34.5 | Very low | 218 Ų | 218 | 148.5 Ų | 148.5 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | trans | -110.2 | 139.2 | 152.9 | -65.1 | 179 | 170.6 | 170.6 | -3.3 | 104.1 | ||||
| 11 | D | 34.6 | Very low | 34.8 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | cis | -145.3 | 173 | 23.7 | -101.6 | -109.1 | 0 | 0 | 0 | 106.4 | ||||
| 12 | S | 32.7 | Very low | 34.5 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | cis | -171 | 120 | -25.8 | -92.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 13 | D | 32.8 | Very low | 35 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 91% | 0.909 | 69% | 0.685 | S | S | * | * | trans | -157.9 | 142.8 | 150.5 | -139.7 | -27.9 | 0 | 0 | 0 | 109.3 | ||||
| 14 | D | 38.2 | Very low | 35.7 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | trans | -92.6 | 162.4 | -151.5 | -124.1 | -50.2 | 0 | 0 | 0 | 114.8 | ||||
| 15 | R | 36.2 | Very low | 35.9 | Very low | 225 Ų | 225 | 128.9 Ų | 128.9 | 85% | 0.849 | 67% | 0.666 | S | S | * | * | trans | 77.6 | 54.2 | 175.2 | -47.7 | 178.2 | 70.3 | -131.6 | 5.5 | 118.6 | ||||
| 16 | C | 36.9 | Very low | 36.7 | Very low | 85 Ų | 85 | 126.8 Ų | 126.8 | 57% | 0.574 | 65% | 0.651 | S | S | * | * | trans | -145.4 | 89.4 | 144 | -95.5 | 0 | 0 | 0 | 0 | 111.9 | W18 | C16-W18 HydrophobicContact CB-CD2 4.45Å; C16-W18 HydrophobicContact CB-CZ2 4.23Å; C16-W18 PolarHBondContact O-N 3.41Å | ||
| 17 | H | 35.2 | Very low | 36.4 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 80% | 0.796 | 63% | 0.634 | S | S | * | * | trans | -67.4 | 89.7 | 170 | -91.1 | -130.4 | 0 | 0 | 0 | 110.8 | ||||
| 18 | W | 39.1 | Very low | 36.4 | Very low | 141 Ų | 141 | 118.5 Ų | 118.5 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | trans | -93 | 92.3 | 171.6 | -58.4 | 124 | 0 | 0 | 0 | 110.6 | C16 Y128 | C16-W18 HydrophobicContact CB-CD2 4.45Å; C16-W18 HydrophobicContact CB-CZ2 4.23Å; C16-W18 PolarHBondContact O-N 3.41Å; W18-Y128 AromaticContact CZ3-CZ 3.97Å; W18-Y128 WeakPolarHBondContact CZ3-OH 3.42Å | ||
| 19 | Q | 37.8 | Very low | 37 | Very low | 118 Ų | 118 | 118 Ų | 118 | 55% | 0.551 | 63% | 0.627 | S | S | * | * | trans | -95.4 | 107.8 | 168.2 | -82.2 | 178 | -35.6 | 0 | 0 | 110.7 | A21 | Q19-A21 PolarHBondContact O-N 3.2Š| ||
| 20 | A | 35.3 | Very low | 37.2 | Very low | 88 Ų | 88 | 114.9 Ų | 114.9 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | trans | -76.8 | 106.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 21 | A | 40.6 | Very low | 37.3 | Very low | 21 Ų | 21 | 107.5 Ų | 107.5 | 17% | 0.174 | 61% | 0.61 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.8 | 118.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q19 V91 | Q19-A21 PolarHBondContact O-N 3.2Å; A21-V91 HydrophobicContact CB-CG2 4.34Å |
| 22 | T | 37.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 108.4 Ų | 108.4 | 68% | 0.675 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.9 | 122.8 | 170.9 | -59.7 | 0 | 0 | 0 | 0 | 109.7 | L24 | T22-L24 HydrophobicContact CG2-CD2 4.2Å; T22-L24 HydrophobicContact CG2-CG 4.47Å; T22-L24 PolarHBondContact O-N 3.47Å; T22-L24 VanDerWaalsContact O-N 3.12Å |
| 23 | M | 40.7 | Very low | 37.3 | Very low | 15 Ų | 15 | 110.5 Ų | 110.5 | 7% | 0.074 | 62% | 0.623 | C | S | . | * | trans | -73.5 | 99.2 | 175.6 | -57.5 | -59.2 | -60.5 | 0 | 0 | 110.2 | L88 L89 A90 L100 L113 | M23-L88 HydrophobicContact CE-CB 3.59Å; M23-L88 HydrophobicContact CE-CD1 4.3Å; M23-L88 HydrophobicContact CE-CD2 4.04Å; M23-L88 HydrophobicContact CE-CG 4.18Å; M23-L89 WeakPolarHBondContact CE-O 3.48Å; M23-L89 VanDerWaalsContact SD-O 3.34Å; M23-A90 HydrophobicContact CE-CB 3.88Å; M23-A90 HydrophobicContact SD-CB 3.62Å; M23-L100 HydrophobicContact CE-CD2 3.58Å; M23-L100 HydrophobicContact SD-CD2 4.31Å; M23-L113 WeakPolarHBondContact CG-O 3.48Å | ||
| 24 | L | 45.9 | Very low | 37.2 | Very low | 101 Ų | 101 | 111.8 Ų | 111.8 | 53% | 0.529 | 62% | 0.623 | S | S | . | * | trans | -88.8 | 125.6 | 173.4 | -67.6 | 177.8 | 0 | 0 | 0 | 110.8 | T22 H26 | T22-L24 HydrophobicContact CG2-CD2 4.2Å; T22-L24 HydrophobicContact CG2-CG 4.47Å; T22-L24 PolarHBondContact O-N 3.47Å; T22-L24 VanDerWaalsContact O-N 3.12Å; L24-H26 PolarHBondContact O-N 2.64Å | ||
| 25 | F | 36.9 | Very low | 36.5 | Very low | 121 Ų | 121 | 108.2 Ų | 108.2 | 53% | 0.531 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 114.7 | 172 | -76.6 | -94.6 | 0 | 0 | 0 | 109.8 | L88 | F25-L88 HydrophobicContact CE1-CD2 4.27Å; F25-L88 HydrophobicContact CZ-CD2 4.31Å |
| 26 | H | 45 | Very low | 36.2 | Very low | 96 Ų | 96 | 104.2 Ų | 104.2 | 44% | 0.444 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 119.7 | 165.3 | -77.1 | -85.7 | 0 | 0 | 0 | 109.6 | L24 | L24-H26 PolarHBondContact O-N 2.64Å |
| 27 | G | 33.2 | Very low | 35.9 | Very low | 46 Ų | 46 | 106.4 Ų | 106.4 | 47% | 0.474 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 136.8 | 162 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 28 | L | 37 | Very low | 35.6 | Very low | 104 Ų | 104 | 106.1 Ų | 106.1 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | trans | -67.9 | 137.8 | 165.9 | -64.3 | 171.5 | 0 | 0 | 0 | 108.9 | G30 | L28-G30 PolarHBondContact O-N 3.38Š| ||
| 29 | P | 41 | Very low | 35.1 | Very low | 128 Ų | 128 | 108.1 Ų | 108.1 | 83% | 0.831 | 65% | 0.645 | S | S | * | * | trans | -68.8 | 99.9 | 169.9 | 28.9 | -31.9 | 0 | 0 | 0 | 108.2 | G31 | P29-G31 PolarHBondContact O-N 3.43Š| ||
| 30 | G | 33.8 | Very low | 34.7 | Very low | 72 Ų | 72 | 111 Ų | 111 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 119.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L28 | L28-G30 PolarHBondContact O-N 3.38Š|
| 31 | G | 33.2 | Very low | 34.4 | Very low | 64 Ų | 64 | 115.6 Ų | 115.6 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 152.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P29 V33 | P29-G31 PolarHBondContact O-N 3.43Å; G31-V33 PolarHBondContact O-N 3.12Å |
| 32 | D | 30 | Very low | 33.9 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 87% | 0.872 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 124.3 | -173.5 | -65.3 | -80.6 | 0 | 0 | 0 | 113.4 | ||
| 33 | V | 36.3 | Very low | 33.5 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 84% | 0.842 | 71% | 0.706 | S | S | * | * | trans | -97.5 | 99.1 | 168.4 | -75.7 | 0 | 0 | 0 | 0 | 109.2 | G31 | G31-V33 PolarHBondContact O-N 3.12Š| ||
| 34 | H | 31 | Very low | 32.9 | Very low | 196 Ų | 196 | 133 Ų | 133 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | trans | -64.2 | 135.1 | 170.5 | -89.5 | -37.2 | 0 | 0 | 0 | 111.2 | ||||
| 35 | G | 24.8 | Very low | 32.2 | Very low | 67 Ų | 67 | 138.9 Ų | 138.9 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | -171.7 | 77.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 36 | V | 28.3 | Very low | 31.7 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | 53 | 113.8 | 146.7 | -172.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 37 | V | 31 | Very low | 30.9 | Very low | 131 Ų | 131 | 141.3 Ų | 141.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | -146.3 | 146.5 | 128.9 | 174.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 38 | E | 30.1 | Very low | 30.7 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -31.6 | 132.4 | 171.5 | -75.8 | 151.4 | 115.9 | 0 | 0 | 116.4 | ||||
| 39 | E | 28.4 | Very low | 30.4 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | 67.8 | 94 | 81.7 | -169.5 | 171.9 | 170.5 | 0 | 0 | 114.2 | |||||
| 40 | M | 28.2 | Very low | 30.1 | Very low | 178 Ų | 178 | 142.7 Ų | 142.7 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -153.6 | 150.6 | 153.1 | -156.2 | 63.1 | -177.4 | 0 | 0 | 110.4 | ||||
| 41 | E | 29.7 | Very low | 30 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | 67.9 | 73.2 | 173.1 | -69.9 | -173.1 | 101.4 | 0 | 0 | 119.3 | ||||
| 42 | R | 29.5 | Very low | 30.2 | Very low | 212 Ų | 212 | 148.9 Ų | 148.9 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -98.8 | 114.5 | 143.7 | -109 | -173.9 | 67.3 | 79.1 | -9.4 | 111.1 | ||||
| 43 | R | 29.5 | Very low | 30.4 | Very low | 228 Ų | 228 | 146.3 Ų | 146.3 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | 150.1 | 129 | 128.5 | -85.5 | 169.8 | 167.2 | -175.2 | -2.1 | 113.7 | |||||
| 44 | G | 28.2 | Very low | 30.4 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 175.8 | 68.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 45 | K | 30.6 | Very low | 30.8 | Very low | 223 Ų | 223 | 141.9 Ų | 141.9 | 97% | 0.97 | 81% | 0.805 | S | S | * | * | trans | 59.6 | 156.6 | 171.4 | -66.9 | 172.9 | 173.3 | 178.4 | 0 | 115.2 | ||||
| 46 | G | 26.3 | Very low | 31.3 | Very low | 64 Ų | 64 | 145.4 Ų | 145.4 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | cis | 160.4 | 163.6 | -1.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 47 | E | 29.7 | Very low | 31.8 | Very low | 205 Ų | 205 | 146.4 Ų | 146.4 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | 81.8 | 166.8 | 172.5 | -50.7 | -168.2 | 129.4 | 0 | 0 | 118 | ||||
| 48 | S | 28.7 | Very low | 31.8 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -131.4 | 167.8 | -137.1 | -61.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 49 | A | 30 | Very low | 31.9 | Very low | 104 Ų | 104 | 145 Ų | 145 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | 69.9 | 139.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 50 | A | 34 | Very low | 32.1 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | cis | -163 | 130.9 | 44.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 51 | I | 33.3 | Very low | 32.7 | Very low | 160 Ų | 160 | 142 Ų | 142 | 82% | 0.821 | 81% | 0.807 | S | S | * | * | trans | 26.4 | 146.1 | 141.7 | 47.2 | 166.1 | 0 | 0 | 0 | 124.1 | ||||
| 52 | S | 35.9 | Very low | 32.9 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | 80.4 | 135.4 | 155.2 | -59.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 53 | S | 36 | Very low | 33.3 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | cis | 156.2 | 153.5 | -3.9 | 49.1 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 54 | A | 34.7 | Very low | 34.1 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | cis | -175.2 | 157 | -16.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 55 | I | 39.7 | Very low | 34.8 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | 56 | 155 | 157.5 | 66 | 171.4 | 0 | 0 | 0 | 118.8 | ||||
| 56 | D | 35.6 | Very low | 35 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | cis | -145.9 | 177 | 6.6 | -160.4 | 22.5 | 0 | 0 | 0 | 113.5 | ||||
| 57 | M | 39.3 | Very low | 36.1 | Very low | 164 Ų | 164 | 128.4 Ų | 128.4 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | -63.7 | 166.2 | -172.9 | -61.8 | -65.4 | 168.5 | 0 | 0 | 117.9 | ||||
| 58 | G | 30.9 | Very low | 36.8 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | -174.3 | 62.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 59 | E | 31.1 | Very low | 37.7 | Very low | 190 Ų | 190 | 123 Ų | 123 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -66.5 | 135.6 | 168.9 | -62.7 | 170.2 | 112.7 | 0 | 0 | 110.8 | ||||
| 60 | S | 32.7 | Very low | 38.9 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | -179.9 | 159.4 | 109.1 | -156 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 61 | E | 40.7 | Very low | 40.2 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -81 | 140.2 | -168.2 | -56.9 | 174.9 | 107.2 | 0 | 0 | 112.1 | ||||
| 62 | T | 34.1 | Very low | 42.1 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | -139.7 | 111.1 | 150.2 | -55.7 | 0 | 0 | 0 | 0 | 108.5 | M64 | T62-M64 PolarHBondContact O-N 3.39Š| ||
| 63 | A | 38.8 | Very low | 44.3 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | trans | -63 | 129.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 64 | M | 46.6 | Very low | 47 | Very low | 152 Ų | 152 | 123.2 Ų | 123.2 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | 11.6 | 135.6 | 143.8 | -59.6 | -61.9 | -120.9 | 0 | 0 | 117.3 | T62 C66 | T62-M64 PolarHBondContact O-N 3.39Å; M64-C66 HydrophobicContact CE-CB 3.66Å; M64-C66 HydrophobicContact SD-CB 4.13Å | ||
| 65 | P | 43.1 | Very low | 49.7 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 74% | 0.74 | 67% | 0.674 | S | S | * | * | -122.5 | 120.1 | 81.5 | 33.5 | -29 | 0 | 0 | 0 | 113.5 | V67 | P65-V67 HydrophobicContact CB-CG2 4.31Å; P65-V67 HydrophobicContact CG-CG2 4.37Å; P65-V67 PolarHBondContact O-N 3.05Å; P65-V67 VanDerWaalsContact O-N 3.13Å | |||
| 66 | C | 34.2 | Very low | 52 | Low | 75 Ų | 75 | 114.2 Ų | 114.2 | 51% | 0.507 | 65% | 0.654 | S | S | . | * | trans | -65.4 | 108 | 158.3 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | M64 T68 | M64-C66 HydrophobicContact CE-CB 3.66Å; M64-C66 HydrophobicContact SD-CB 4.13Å; C66-T68 VanDerWaalsContact C-N 3.29Å; C66-T68 PolarHBondContact O-N 3.07Å; C66-T68 PolarHBondContact SG-OG1 3.46Å | ||
| 67 | V | 49 | Very low | 54.4 | Low | 128 Ų | 128 | 109.6 Ų | 109.6 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | trans | -96.6 | 43.3 | 174 | -155.9 | 0 | 0 | 0 | 0 | 110.8 | P65 S69 | P65-V67 HydrophobicContact CB-CG2 4.31Å; P65-V67 HydrophobicContact CG-CG2 4.37Å; P65-V67 PolarHBondContact O-N 3.05Å; P65-V67 VanDerWaalsContact O-N 3.13Å; V67-S69 PolarHBondContact O-N 2.93Å | ||
| 68 | T | 43.6 | Very low | 56.9 | Low | 109 Ų | 109 | 104.3 Ų | 104.3 | 67% | 0.669 | 62% | 0.618 | S | S | * | * | trans | -78.2 | 106.7 | 155.4 | 58.6 | 0 | 0 | 0 | 0 | 107.2 | C66 E70 | C66-T68 VanDerWaalsContact C-N 3.29Å; C66-T68 PolarHBondContact O-N 3.07Å; C66-T68 PolarHBondContact SG-OG1 3.46Å; T68-E70 PolarHBondContact O-N 3.33Å | ||
| 69 | S | 47.9 | Very low | 59.5 | Low | 100 Ų | 100 | 103.5 Ų | 103.5 | 70% | 0.699 | 61% | 0.61 | S | S | * | * | trans | -64.4 | 85.1 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | V67 R71 | V67-S69 PolarHBondContact O-N 2.93Å; S69-R71 VanDerWaalsContact C-N 3.27Å; S69-R71 PolarHBondContact O-N 3.29Å | ||
| 70 | E | 54.8 | Low | 62.4 | Low | 165 Ų | 165 | 103.3 Ų | 103.3 | 77% | 0.771 | 60% | 0.601 | S | S | * | * | trans | -66 | 91.9 | 170 | -168.3 | 175.8 | -123.3 | 0 | 0 | 107.1 | T68 V72 | T68-E70 PolarHBondContact O-N 3.33Å; E70-V72 WeakPolarHBondContact O-CG2 3.26Å; E70-V72 PolarHBondContact O-N 3Å | ||
| 71 | R | 63.2 | Low | 65.2 | Low | 229 Ų | 229 | 104.3 Ų | 104.3 | 86% | 0.864 | 59% | 0.591 | S | S | * | * | trans | -66.7 | 84.8 | 176.9 | -71.4 | -174.2 | -174.8 | 168.4 | 2.6 | 108.3 | S69 A73 | S69-R71 VanDerWaalsContact C-N 3.27Å; S69-R71 PolarHBondContact O-N 3.29Å; R71-A73 PolarHBondContact O-N 3.48Å; R71-A73 VanDerWaalsContact O-N 3.12Å | ||
| 72 | V | 72.3 | Confident | 67.6 | Low | 55 Ų | 55 | 96.5 Ų | 96.5 | 33% | 0.333 | 56% | 0.555 | S | S | . | * | trans | -59.6 | 121.9 | -175.2 | -168.8 | 0 | 0 | 0 | 0 | 109.2 | E70 L74 K81 | E70-V72 WeakPolarHBondContact O-CG2 3.26Å; E70-V72 PolarHBondContact O-N 3Å; V72-L74 PolarHBondContact O-N 3.04Å; V72-K81 HydrophobicContact CG1-CB 3.84Å; V72-K81 HydrophobicContact CG1-CD 3.66Å; V72-K81 HydrophobicContact CG1-CG 3.54Å | ||
| 73 | A | 82.3 | Confident | 70.2 | Confident | 21 Ų | 21 | 94.5 Ų | 94.5 | 17% | 0.174 | 55% | 0.552 | C | S | . | * | trans | -60.9 | 110.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | R71 K81 I82 | R71-A73 PolarHBondContact O-N 3.48Å; R71-A73 VanDerWaalsContact O-N 3.12Å; A73-K81 CarbonylContact O-C 3.54Å; A73-K81 WeakPolarHBondContact O-CA 3.5Å; A73-I82 HydrophobicContact CB-CB 4.02Å; A73-I82 HydrophobicContact CB-CD1 4.23Å; A73-I82 HydrophobicContact CB-CG1 4.43Å; A73-I82 PolarHBondContact O-N 3.04Å | ||
| 74 | L | 91.6 | Very high | 72.4 | Confident | 98 Ų | 98 | 93.9 Ų | 93.9 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | B | Isolated β-bridge | trans | -101.2 | 126.2 | 177.8 | -66.5 | -178.5 | 0 | 0 | 0 | 109.8 | V72 A76 K81 | V72-L74 PolarHBondContact O-N 3.04Å; L74-A76 PolarHBondContact O-N 3.14Å; L74-K81 HydrophobicContact CD2-CB 4.47Å; L74-K81 HydrophobicContact CD2-CG 3.84Å |
| 75 | C | 91.9 | Very high | 74.3 | Confident | 1 Ų | 1 | 95 Ų | 95 | 1% | 0.007 | 53% | 0.532 | C | S | . | . | trans | -72.6 | 116.6 | 178.8 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | G77 C78 G79 R80 I82 Q94 H96 C99 | C75-G77 PolarHBondContact O-N 2.83Å; C75-G77 VanDerWaalsContact O-N 3.11Å; C75-G77 PolarHBondContact SG-N 2.91Å; C75-C78 PolarHBondContact O-N 3.12Å; C75-C78 VanDerWaalsContact O-N 3.12Å; C75-C78 VanDerWaalsContact SG-SG 3.64Å; C75-G79 WeakPolarHBondContact O-CA 3.3Å; C75-G79 PolarHBondContact O-N 3.32Å; C75-R80 PolarHBondContact N-O 3.46Å; C75-I82 HydrophobicContact CB-CD1 4.01Å; C75-I82 HydrophobicContact CB-CG1 3.77Å; C75-Q94 CarbonylContact C-O 3.57Å; C75-Q94 WeakPolarHBondContact CA-O 3.46Å; C75-H96 WeakPolarHBondContact CB-CE1 3.38Å; C75-H96 VanDerWaalsContact CB-ND1 3.29Å; C75-H96 WeakPolarHBondContact CB-ND1 3.28Å; C75-H96 PolarHBondContact SG-N 3.21Å; C75-H96 VanDerWaalsContact SG-N 3.41Å; C75-H96 PolarHBondContact SG-ND1 3.28Å; C75-C99 VanDerWaalsContact SG-CB 3.56Å | ||
| 76 | A | 88.4 | Confident | 76.3 | Confident | 53 Ų | 53 | 95.6 Ų | 95.6 | 44% | 0.438 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L74 K93 Q94 W95 | L74-A76 PolarHBondContact O-N 3.14Å; A76-K93 HydrophobicContact CB-CB 3.87Å; A76-K93 HydrophobicContact CB-CD 3.87Å; A76-K93 HydrophobicContact CB-CG 4.31Å; A76-Q94 PolarHBondContact N-O 3.06Å; A76-W95 HydrophobicContact CB-CD2 4.13Å; A76-W95 HydrophobicContact CB-CE3 4.33Å; A76-W95 HydrophobicContact CB-CH2 3.96Å; A76-W95 HydrophobicContact CB-CZ2 3.75Å; A76-W95 HydrophobicContact CB-CZ3 4.25Å |
| 77 | G | 87.1 | Confident | 78.9 | Confident | 44 Ų | 44 | 93.5 Ų | 93.5 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -16.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | C75 W95 | C75-G77 PolarHBondContact O-N 2.83Å; C75-G77 VanDerWaalsContact O-N 3.11Å; C75-G77 PolarHBondContact SG-N 2.91Å; G77-W95 VanDerWaalsContact CA-CZ3 3.45Å |
| 78 | C | 89.9 | Confident | 80.8 | Confident | 52 Ų | 52 | 87.8 Ų | 87.8 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.4 | -1 | -177.1 | 72 | 0 | 0 | 0 | 0 | 115.5 | C75 R80 H96 | C75-C78 PolarHBondContact O-N 3.12Å; C75-C78 VanDerWaalsContact O-N 3.12Å; C75-C78 VanDerWaalsContact SG-SG 3.64Å; C78-R80 PolarHBondContact O-N 2.87Å; C78-R80 VanDerWaalsContact O-N 3.1Å; C78-H96 PolarHBondContact SG-CE1 2.93Å; C78-H96 PolarHBondContact SG-ND1 2.86Å; C78-H96 VanDerWaalsContact SG-ND1 3.41Å |
| 79 | G | 87.2 | Confident | 82.9 | Confident | 59 Ų | 59 | 85 Ų | 85 | 61% | 0.608 | 45% | 0.448 | S | S | * | . | trans | 70.4 | -3.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | C75 | C75-G79 WeakPolarHBondContact O-CA 3.3Å; C75-G79 PolarHBondContact O-N 3.32Å | ||
| 80 | R | 90.7 | Very high | 84.7 | Confident | 186 Ų | 186 | 80.3 Ų | 80.3 | 70% | 0.702 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -87.9 | 154.9 | -176.3 | -58.3 | -177 | -169.8 | 178.5 | 1.4 | 112.1 | C75 C78 | C75-R80 PolarHBondContact N-O 3.46Å; C78-R80 PolarHBondContact O-N 2.87Å; C78-R80 VanDerWaalsContact O-N 3.1Å |
| 81 | K | 92.3 | Very high | 86.2 | Confident | 139 Ų | 139 | 74.3 Ų | 74.3 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | B | Isolated β-bridge | trans | -58.4 | 130.7 | 168.5 | -61.4 | -177.2 | 160.5 | -163.8 | 0 | 110 | V72 A73 L74 | V72-K81 HydrophobicContact CG1-CB 3.84Å; V72-K81 HydrophobicContact CG1-CD 3.66Å; V72-K81 HydrophobicContact CG1-CG 3.54Å; A73-K81 CarbonylContact O-C 3.54Å; A73-K81 WeakPolarHBondContact O-CA 3.5Å; L74-K81 HydrophobicContact CD2-CB 4.47Å; L74-K81 HydrophobicContact CD2-CG 3.84Å |
| 82 | I | 90.3 | Very high | 87.2 | Confident | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | trans | -81.5 | 112.8 | 174.1 | -60.8 | 174.4 | 0 | 0 | 0 | 107.7 | A73 C75 D84 Y87 Q94 | A73-I82 HydrophobicContact CB-CB 4.02Å; A73-I82 HydrophobicContact CB-CD1 4.23Å; A73-I82 HydrophobicContact CB-CG1 4.43Å; A73-I82 PolarHBondContact O-N 3.04Å; C75-I82 HydrophobicContact CB-CD1 4.01Å; C75-I82 HydrophobicContact CB-CG1 3.77Å; I82-D84 HydrophobicContact CG2-CB 4.29Å; I82-Y87 HydrophobicContact CG2-CD1 4.26Å; I82-Y87 HydrophobicContact CG2-CG 4.26Å; I82-Q94 HydrophobicContact CD1-CB 3.69Å | ||
| 83 | A | 88.3 | Confident | 88 | Confident | 97 Ų | 97 | 73 Ų | 73 | 80% | 0.802 | 39% | 0.393 | S | S | * | . | trans | -104 | -2.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 84 | D | 86.3 | Confident | 88.3 | Confident | 76 Ų | 76 | 75 Ų | 75 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | trans | -68.9 | 138 | -179.8 | -66.7 | -20.4 | 0 | 0 | 0 | 110.9 | I82 Y86 H96 | I82-D84 HydrophobicContact CG2-CB 4.29Å; D84-Y86 WeakPolarHBondContact CB-O 3.28Å; D84-Y86 PolarHBondContact O-N 2.85Å; D84-H96 IonicContact OD2-CD2 3.55Å; D84-H96 PolarHBondContact OD2-CD2 3.46Å; D84-H96 VanDerWaalsContact OD2-CD2 3.25Å; D84-H96 IonicContact OD2-CG 3.99Å | ||
| 85 | R | 86.6 | Confident | 88.3 | Confident | 177 Ų | 177 | 71.8 Ų | 71.8 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -58.1 | -30.1 | 175.6 | -177.5 | -178.3 | -68.1 | -174.6 | -1.6 | 113 | ||
| 86 | Y | 85.4 | Confident | 88.2 | Confident | 125 Ų | 125 | 73 Ų | 73 | 49% | 0.49 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131.7 | 179.8 | -53.4 | -67.7 | 0 | 0 | 0 | 109.4 | D84 | D84-Y86 WeakPolarHBondContact CB-O 3.28Å; D84-Y86 PolarHBondContact O-N 2.85Å |
| 87 | Y | 88.3 | Confident | 88.2 | Confident | 32 Ų | 32 | 73.7 Ų | 73.7 | 13% | 0.125 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 166.8 | 176.5 | 63.6 | -92.7 | 0 | 0 | 0 | 110.5 | I82 Q94 | I82-Y87 HydrophobicContact CG2-CD1 4.26Å; I82-Y87 HydrophobicContact CG2-CG 4.26Å; Y87-Q94 HydrophobicContact CD2-CB 4.31Å; Y87-Q94 HydrophobicContact CD2-CG 4.31Å; Y87-Q94 HydrophobicContact CE2-CB 4.49Å; Y87-Q94 HydrophobicContact CE2-CG 3.99Å |
| 88 | L | 87.9 | Confident | 88.3 | Confident | 8 Ų | 8 | 81.4 Ų | 81.4 | 4% | 0.042 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.7 | -176.7 | -67.9 | -176.7 | 0 | 0 | 0 | 110.1 | M23 F25 Q94 W95 M97 L100 E110 | M23-L88 HydrophobicContact CE-CB 3.59Å; M23-L88 HydrophobicContact CE-CD1 4.3Å; M23-L88 HydrophobicContact CE-CD2 4.04Å; M23-L88 HydrophobicContact CE-CG 4.18Å; F25-L88 HydrophobicContact CE1-CD2 4.27Å; F25-L88 HydrophobicContact CZ-CD2 4.31Å; L88-Q94 CarbonylContact O-C 3.54Å; L88-Q94 WeakPolarHBondContact O-CA 3.43Å; L88-W95 HydrophobicContact CB-CB 4.35Å; L88-W95 PolarHBondContact N-O 3.2Å; L88-W95 PolarHBondContact O-N 3.11Å; L88-M97 HydrophobicContact CD1-CB 4.49Å; L88-M97 HydrophobicContact CG-CG 4.24Å; L88-L100 HydrophobicContact CB-CD2 4.41Å; L88-L100 HydrophobicContact CD1-CB 4.01Å; L88-L100 HydrophobicContact CD1-CD2 3.76Å; L88-E110 HydrophobicContact CD1-CB 4.4Å |
| 89 | L | 88 | Confident | 88.2 | Confident | 51 Ų | 51 | 80.7 Ų | 80.7 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.2 | 172.8 | -172 | 72.4 | 0 | 0 | 0 | 109.2 | M23 K93 Q94 | M23-L89 WeakPolarHBondContact CE-O 3.48Å; M23-L89 VanDerWaalsContact SD-O 3.34Å; L89-K93 WeakPolarHBondContact CA-O 3.49Å; L89-Q94 HydrophobicContact CD1-CG 3.81Å |
| 90 | A | 86.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M23 D92 K93 W95 L100 | M23-A90 HydrophobicContact CE-CB 3.88Å; M23-A90 HydrophobicContact SD-CB 3.62Å; A90-D92 VanDerWaalsContact C-N 3.32Å; A90-D92 PolarHBondContact O-N 3.44Å; A90-K93 PolarHBondContact N-O 3.37Å; A90-K93 WeakPolarHBondContact O-CB 3.48Å; A90-K93 PolarHBondContact O-N 3.31Å; A90-K93 VanDerWaalsContact O-O 3.05Å; A90-W95 PolarHBondContact O-NE1 3.08Å; A90-L100 HydrophobicContact CB-CD1 3.98Å; A90-L100 HydrophobicContact CB-CD2 4.4Å |
| 91 | V | 86.2 | Confident | 88.3 | Confident | 38 Ų | 38 | 73.2 Ų | 73.2 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 49.6 | 175.4 | -159.2 | 0 | 0 | 0 | 0 | 111.6 | A21 K93 S117 I122 | A21-V91 HydrophobicContact CB-CG2 4.34Å; V91-K93 PolarHBondContact O-N 2.96Å; V91-S117 VanDerWaalsContact CG2-CB 3.47Å; V91-I122 HydrophobicContact CB-CD1 4.47Å; V91-I122 HydrophobicContact CG2-CD1 3.57Å |
| 92 | D | 84.6 | Confident | 88.2 | Confident | 141 Ų | 141 | 66.6 Ų | 66.6 | 75% | 0.754 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 22.7 | -177.2 | -51.1 | -39.2 | 0 | 0 | 0 | 114.8 | A90 | A90-D92 VanDerWaalsContact C-N 3.32Å; A90-D92 PolarHBondContact O-N 3.44Å |
| 93 | K | 87.8 | Confident | 88.1 | Confident | 117 Ų | 117 | 68 Ų | 68 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.6 | 178.5 | -67.4 | -178.5 | -163.5 | -53.4 | 0 | 111.2 | A76 L89 A90 V91 W95 | A76-K93 HydrophobicContact CB-CB 3.87Å; A76-K93 HydrophobicContact CB-CD 3.87Å; A76-K93 HydrophobicContact CB-CG 4.31Å; L89-K93 WeakPolarHBondContact CA-O 3.49Å; A90-K93 PolarHBondContact N-O 3.37Å; A90-K93 WeakPolarHBondContact O-CB 3.48Å; A90-K93 PolarHBondContact O-N 3.31Å; A90-K93 VanDerWaalsContact O-O 3.05Å; V91-K93 PolarHBondContact O-N 2.96Å; K93-W95 HydrophobicContact CB-CZ2 4.4Å; K93-W95 PolarHBondContact O-NE1 3.34Å |
| 94 | Q | 90.3 | Very high | 88 | Confident | 61 Ų | 61 | 66 Ų | 66 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 142.7 | -179.4 | -62.5 | 162.1 | -10.3 | 0 | 0 | 110 | C75 A76 I82 Y87 L88 L89 | C75-Q94 CarbonylContact C-O 3.57Å; C75-Q94 WeakPolarHBondContact CA-O 3.46Å; A76-Q94 PolarHBondContact N-O 3.06Å; I82-Q94 HydrophobicContact CD1-CB 3.69Å; Y87-Q94 HydrophobicContact CD2-CB 4.31Å; Y87-Q94 HydrophobicContact CD2-CG 4.31Å; Y87-Q94 HydrophobicContact CE2-CB 4.49Å; Y87-Q94 HydrophobicContact CE2-CG 3.99Å; L88-Q94 CarbonylContact O-C 3.54Å; L88-Q94 WeakPolarHBondContact O-CA 3.43Å; L89-Q94 HydrophobicContact CD1-CG 3.81Å |
| 95 | W | 90.7 | Very high | 88.1 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 138.5 | -174.8 | -53.5 | 79.6 | 0 | 0 | 0 | 110.2 | A76 G77 L88 A90 K93 L100 I122 | A76-W95 HydrophobicContact CB-CD2 4.13Å; A76-W95 HydrophobicContact CB-CE3 4.33Å; A76-W95 HydrophobicContact CB-CH2 3.96Å; A76-W95 HydrophobicContact CB-CZ2 3.75Å; A76-W95 HydrophobicContact CB-CZ3 4.25Å; G77-W95 VanDerWaalsContact CA-CZ3 3.45Å; L88-W95 HydrophobicContact CB-CB 4.35Å; L88-W95 PolarHBondContact N-O 3.2Å; L88-W95 PolarHBondContact O-N 3.11Å; A90-W95 PolarHBondContact O-NE1 3.08Å; K93-W95 HydrophobicContact CB-CZ2 4.4Å; K93-W95 PolarHBondContact O-NE1 3.34Å; W95-L100 HydrophobicContact CB-CB 4.07Å; W95-L100 HydrophobicContact CB-CD1 4.37Å; W95-L100 HydrophobicContact CD2-CD1 3.65Å; W95-L100 HydrophobicContact CE3-CD1 4.06Å; W95-L100 HydrophobicContact CG-CB 4.37Å; W95-L100 HydrophobicContact CG-CD1 3.78Å; W95-L100 HydrophobicContact CZ2-CD1 4.48Å; W95-I122 HydrophobicContact CH2-CG1 4.12Å; W95-I122 HydrophobicContact CZ2-CD1 4.46Å; W95-I122 HydrophobicContact CZ2-CG1 4.04Å |
| 96 | H | 90.6 | Very high | 88.2 | Confident | 26 Ų | 26 | 62.9 Ų | 62.9 | 12% | 0.12 | 30% | 0.296 | C | S | . | . | trans | -61 | 147.8 | 160.7 | -55.2 | 109.7 | 0 | 0 | 0 | 109.4 | C75 C78 D84 R98 C99 L100 | C75-H96 WeakPolarHBondContact CB-CE1 3.38Å; C75-H96 VanDerWaalsContact CB-ND1 3.29Å; C75-H96 WeakPolarHBondContact CB-ND1 3.28Å; C75-H96 PolarHBondContact SG-N 3.21Å; C75-H96 VanDerWaalsContact SG-N 3.41Å; C75-H96 PolarHBondContact SG-ND1 3.28Å; C78-H96 PolarHBondContact SG-CE1 2.93Å; C78-H96 PolarHBondContact SG-ND1 2.86Å; C78-H96 VanDerWaalsContact SG-ND1 3.41Å; D84-H96 IonicContact OD2-CD2 3.55Å; D84-H96 PolarHBondContact OD2-CD2 3.46Å; D84-H96 VanDerWaalsContact OD2-CD2 3.25Å; D84-H96 IonicContact OD2-CG 3.99Å; H96-R98 PolarHBondContact O-N 2.83Å; H96-R98 VanDerWaalsContact O-N 3.13Å; H96-C99 HydrophobicContact CB-CB 3.99Å; H96-C99 PolarHBondContact O-N 3.41Å; H96-L100 PolarHBondContact O-N 3.1Å | ||
| 97 | M | 88 | Confident | 88.3 | Confident | 69 Ų | 69 | 62.1 Ų | 62.1 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -41 | 176.4 | -60.9 | 178.1 | 65.7 | 0 | 0 | 112 | L88 C99 N108 | L88-M97 HydrophobicContact CD1-CB 4.49Å; L88-M97 HydrophobicContact CG-CG 4.24Å; M97-C99 PolarHBondContact O-N 3.07Å; M97-N108 PolarHBondContact O-ND2 2.92Å |
| 98 | R | 87.9 | Confident | 88.2 | Confident | 206 Ų | 206 | 63 Ų | 63 | 78% | 0.777 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -16.8 | 179 | -60.6 | -176.5 | 70.6 | -179.8 | 2.6 | 114.4 | H96 K101 N108 | H96-R98 PolarHBondContact O-N 2.83Å; H96-R98 VanDerWaalsContact O-N 3.13Å; R98-K101 WeakPolarHBondContact O-CE 3.31Å; R98-N108 WeakPolarHBondContact CA-ND2 3.16Å; R98-N108 PolarHBondContact O-ND2 3.4Å |
| 99 | C | 88.8 | Confident | 88.1 | Confident | 36 Ų | 36 | 63 Ų | 63 | 24% | 0.243 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -22.9 | -176.7 | -71.5 | 0 | 0 | 0 | 0 | 113.7 | C75 H96 M97 K101 | C75-C99 VanDerWaalsContact SG-CB 3.56Å; H96-C99 HydrophobicContact CB-CB 3.99Å; H96-C99 PolarHBondContact O-N 3.41Å; M97-C99 PolarHBondContact O-N 3.07Å; C99-K101 PolarHBondContact O-N 2.97Å; C99-K101 VanDerWaalsContact O-N 3.17Å |
| 100 | L | 88.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | trans | -75.4 | 103.2 | 173.5 | -168.9 | 72.6 | 0 | 0 | 0 | 109.8 | M23 L88 A90 W95 H96 L109 I122 | M23-L100 HydrophobicContact CE-CD2 3.58Å; M23-L100 HydrophobicContact SD-CD2 4.31Å; L88-L100 HydrophobicContact CB-CD2 4.41Å; L88-L100 HydrophobicContact CD1-CB 4.01Å; L88-L100 HydrophobicContact CD1-CD2 3.76Å; A90-L100 HydrophobicContact CB-CD1 3.98Å; A90-L100 HydrophobicContact CB-CD2 4.4Å; W95-L100 HydrophobicContact CB-CB 4.07Å; W95-L100 HydrophobicContact CB-CD1 4.37Å; W95-L100 HydrophobicContact CD2-CD1 3.65Å; W95-L100 HydrophobicContact CE3-CD1 4.06Å; W95-L100 HydrophobicContact CG-CB 4.37Å; W95-L100 HydrophobicContact CG-CD1 3.78Å; W95-L100 HydrophobicContact CZ2-CD1 4.48Å; H96-L100 PolarHBondContact O-N 3.1Å; L100-L109 HydrophobicContact CD2-CB 4.09Å; L100-L109 HydrophobicContact CG-CB 4.15Å; L100-L109 HydrophobicContact CG-CD1 4.47Å; L100-L109 PolarHBondContact O-N 2.9Å; L100-I122 HydrophobicContact CD1-CG1 4.48Å; L100-I122 HydrophobicContact CD1-CG2 4.22Å | ||
| 101 | K | 90.1 | Very high | 86.9 | Confident | 87 Ų | 87 | 70 Ų | 70 | 38% | 0.378 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -134 | 149.9 | -177.8 | -65.9 | 174.2 | -179.1 | -93.6 | 0 | 110.8 | R98 C99 C103 L107 N108 | R98-K101 WeakPolarHBondContact O-CE 3.31Å; C99-K101 PolarHBondContact O-N 2.97Å; C99-K101 VanDerWaalsContact O-N 3.17Å; K101-C103 PolarHBondContact O-N 3.4Å; K101-L107 WeakPolarHBondContact CA-O 3.45Å; K101-N108 PolarHBondContact NZ-OD1 2.9Å |
| 102 | C | 90.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | trans | -60.9 | 134.2 | 168.8 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | E104 C105 K106 L107 L109 I122 C124 D127 | C102-E104 PolarHBondContact O-N 3.31Å; C102-E104 PolarHBondContact SG-N 2.95Å; C102-E104 VanDerWaalsContact SG-N 3.37Å; C102-C105 WeakPolarHBondContact CB-SG 3.25Å; C102-C105 VanDerWaalsContact SG-SG 3.68Å; C102-K106 WeakPolarHBondContact O-CA 3.47Å; C102-K106 PolarHBondContact O-N 3.19Å; C102-K106 VanDerWaalsContact O-N 3.13Å; C102-L107 PolarHBondContact N-O 2.89Å; C102-L109 HydrophobicContact CB-CD2 4.49Å; C102-I122 CarbonylContact C-O 3.55Å; C102-C124 HydrophobicContact CB-CB 4.04Å; C102-C124 PolarHBondContact SG-N 3.47Å; C102-D127 PolarHBondContact SG-OD2 3.26Å | ||
| 103 | C | 89 | Confident | 85.2 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 31% | 0.311 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.8 | 176.2 | -77.9 | 0 | 0 | 0 | 0 | 112.9 | K101 K106 I122 Y123 | K101-C103 PolarHBondContact O-N 3.4Å; C103-K106 WeakPolarHBondContact O-CE 3.33Å; C103-K106 PolarHBondContact O-NZ 3.14Å; C103-I122 WeakPolarHBondContact CB-O 3.33Å; C103-I122 PolarHBondContact N-O 2.72Å; C103-Y123 HydrophobicContact CB-CE1 4.36Å |
| 104 | E | 86.6 | Confident | 84.6 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -78.9 | -179.3 | -53.9 | -58.4 | 165.7 | 0 | 0 | 111.9 | C102 K106 Y123 D127 R131 | C102-E104 PolarHBondContact O-N 3.31Å; C102-E104 PolarHBondContact SG-N 2.95Å; C102-E104 VanDerWaalsContact SG-N 3.37Å; E104-K106 PolarHBondContact O-N 2.69Å; E104-K106 VanDerWaalsContact O-N 3.12Å; E104-Y123 HydrophobicContact CG-CD1 3.83Å; E104-Y123 HydrophobicContact CG-CE1 3.69Å; E104-Y123 WeakPolarHBondContact OE1-CE1 3.49Å; E104-D127 HydrophobicContact CB-CB 4.12Å; E104-D127 WeakPolarHBondContact CB-OD2 3.18Å; E104-D127 HydrophobicContact CG-CB 4.26Å; E104-R131 VanDerWaalsContact CD-NH2 3.34Å; E104-R131 IonicContact OE1-CZ 2.74Å; E104-R131 IonicContact OE1-NE 3.97Å; E104-R131 IonicContact OE1-NH1 3.95Å; E104-R131 PolarHBondContact OE1-NH1 3.42Å; E104-R131 IonicContact OE1-NH2 3.25Å; E104-R131 IonicContact OE2-CZ 3.83Å; E104-R131 IonicContact OE2-NE 3.14Å; E104-R131 IonicContact OE2-NH1 2.64Å; E104-R131 PolarHBondContact OE2-NH1 3.33Å; E104-R131 VanDerWaalsContact OE2-NH1 3.14Å; E104-R131 IonicContact OE2-NH2 2.69Å; E104-R131 PolarHBondContact OE2-NH2 2.6Å |
| 105 | C | 88 | Confident | 84.4 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -5.6 | -177.6 | 63.3 | 0 | 0 | 0 | 0 | 115.5 | C102 L107 D127 | C102-C105 WeakPolarHBondContact CB-SG 3.25Å; C102-C105 VanDerWaalsContact SG-SG 3.68Å; C105-L107 HydrophobicContact CB-CD1 4.29Å; C105-L107 HydrophobicContact CB-CG 4.1Å; C105-L107 PolarHBondContact O-N 2.78Å; C105-L107 VanDerWaalsContact SG-CG 3.53Å; C105-D127 VanDerWaalsContact CB-OD2 3.23Å; C105-D127 WeakPolarHBondContact CB-OD2 3.32Å; C105-D127 PolarHBondContact N-OD2 2.94Å; C105-D127 PolarHBondContact SG-OD2 2.84Å |
| 106 | K | 88 | Confident | 84.3 | Confident | 134 Ų | 134 | 66.4 Ų | 66.4 | 58% | 0.583 | 34% | 0.336 | S | S | * | . | trans | 56 | 9.7 | -176 | -49.5 | -52.1 | -171.2 | -171.2 | 0 | 115.6 | C102 C103 E104 | C102-K106 WeakPolarHBondContact O-CA 3.47Å; C102-K106 PolarHBondContact O-N 3.19Å; C102-K106 VanDerWaalsContact O-N 3.13Å; C103-K106 WeakPolarHBondContact O-CE 3.33Å; C103-K106 PolarHBondContact O-NZ 3.14Å; E104-K106 PolarHBondContact O-N 2.69Å; E104-K106 VanDerWaalsContact O-N 3.12Å | ||
| 107 | L | 87.4 | Confident | 84.2 | Confident | 110 Ų | 110 | 66.2 Ų | 66.2 | 58% | 0.576 | 34% | 0.338 | S | S | * | . | trans | -59.8 | 139 | 175 | -69.7 | 176.2 | 0 | 0 | 0 | 110.4 | K101 C102 C105 | K101-L107 WeakPolarHBondContact CA-O 3.45Å; C102-L107 PolarHBondContact N-O 2.89Å; C105-L107 HydrophobicContact CB-CD1 4.29Å; C105-L107 HydrophobicContact CB-CG 4.1Å; C105-L107 PolarHBondContact O-N 2.78Å; C105-L107 VanDerWaalsContact SG-CG 3.53Å | ||
| 108 | N | 87.8 | Confident | 84.1 | Confident | 51 Ų | 51 | 66 Ų | 66 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -69.9 | 125.5 | 173.1 | -84.8 | 86.1 | 0 | 0 | 0 | 109.8 | M97 R98 K101 E110 | M97-N108 PolarHBondContact O-ND2 2.92Å; R98-N108 WeakPolarHBondContact CA-ND2 3.16Å; R98-N108 PolarHBondContact O-ND2 3.4Å; K101-N108 PolarHBondContact NZ-OD1 2.9Å; N108-E110 VanDerWaalsContact C-N 3.29Å; N108-E110 HydrophobicContact CB-CG 4.45Å; N108-E110 PolarHBondContact O-N 2.83Å |
| 109 | L | 84.3 | Confident | 83.9 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 14.8 | -176.1 | -59.4 | 176.4 | 0 | 0 | 0 | 112.7 | L100 C102 S111 E112 C115 I122 C124 | L100-L109 HydrophobicContact CD2-CB 4.09Å; L100-L109 HydrophobicContact CG-CB 4.15Å; L100-L109 HydrophobicContact CG-CD1 4.47Å; L100-L109 PolarHBondContact O-N 2.9Å; C102-L109 HydrophobicContact CB-CD2 4.49Å; L109-S111 PolarHBondContact O-N 2.8Å; L109-E112 PolarHBondContact O-N 3.5Å; L109-E112 VanDerWaalsContact O-O 3.11Å; L109-C115 HydrophobicContact CD1-CB 3.84Å; L109-I122 HydrophobicContact CD1-CG2 3.61Å; L109-C124 HydrophobicContact CD2-CB 3.6Å |
| 110 | E | 78.8 | Confident | 83.5 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.8 | 177.5 | 67.3 | -174.7 | -174.5 | 0 | 0 | 113.2 | L88 N108 | L88-E110 HydrophobicContact CD1-CB 4.4Å; N108-E110 VanDerWaalsContact C-N 3.29Å; N108-E110 HydrophobicContact CB-CG 4.45Å; N108-E110 PolarHBondContact O-N 2.83Å |
| 111 | S | 71.3 | Confident | 83.5 | Confident | 101 Ų | 101 | 66.5 Ų | 66.5 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -91.9 | -19.5 | -180 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | L109 | L109-S111 PolarHBondContact O-N 2.8Š|
| 112 | E | 68.3 | Low | 83.5 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 36% | 0.36 | 36% | 0.357 | S | S | . | . | trans | -96.8 | 108.1 | 173.3 | -66.9 | -161 | 151.3 | 0 | 0 | 109.5 | L109 T114 K125 | L109-E112 PolarHBondContact O-N 3.5Å; L109-E112 VanDerWaalsContact O-O 3.11Å; E112-T114 PolarHBondContact O-N 3.06Å; E112-K125 PolarHBondContact OE2-N 3.37Å | ||
| 113 | L | 66.4 | Low | 83.4 | Confident | 129 Ų | 129 | 63.6 Ų | 63.6 | 68% | 0.675 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -57.8 | -6 | 178.3 | -75.3 | 151.9 | 0 | 0 | 0 | 115.2 | M23 | M23-L113 WeakPolarHBondContact CG-O 3.48Š|
| 114 | T | 76.4 | Confident | 83.4 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 119.4 | -178.9 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | E112 | E112-T114 PolarHBondContact O-N 3.06Å |
| 115 | C | 85.3 | Confident | 83.3 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 155.6 | 167.3 | 65.4 | 0 | 0 | 0 | 0 | 110.2 | L109 I122 | L109-C115 HydrophobicContact CD1-CB 3.84Å; C115-I122 HydrophobicContact CB-CG2 3.94Å |
| 116 | F | 88 | Confident | 83.1 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 145.2 | 177.8 | -66.7 | -96.4 | 0 | 0 | 0 | 109.7 | I122 Y123 K125 Y128 Y129 | F116-I122 CarbonylContact O-C 3.57Å; F116-I122 WeakPolarHBondContact O-CA 3.46Å; F116-Y123 PolarHBondContact N-O 3.31Å; F116-Y123 PolarHBondContact O-N 2.93Å; F116-K125 HydrophobicContact CD2-CB 4.25Å; F116-K125 HydrophobicContact CE2-CB 3.78Å; F116-K125 HydrophobicContact CE2-CG 3.78Å; F116-K125 HydrophobicContact CZ-CG 4.35Å; F116-Y128 HydrophobicContact CB-CD1 3.87Å; F116-Y128 HydrophobicContact CB-CD2 3.35Å; F116-Y128 HydrophobicContact CB-CE1 4.16Å; F116-Y128 HydrophobicContact CB-CE2 3.65Å; F116-Y128 HydrophobicContact CB-CG 3.43Å; F116-Y128 VanDerWaalsContact CB-CG 3.43Å; F116-Y128 AromaticContact CD1-CD1 3.58Å; F116-Y128 HydrophobicContact CD1-CD1 3.58Å; F116-Y128 HydrophobicContact CD1-CD2 4.49Å; F116-Y128 AromaticContact CD1-CE1 3.46Å; F116-Y128 HydrophobicContact CD1-CE1 3.46Å; F116-Y128 VanDerWaalsContact CD1-CE1 3.46Å; F116-Y128 HydrophobicContact CD1-CE2 4.37Å; F116-Y128 HydrophobicContact CD1-CG 4.08Å; F116-Y128 AromaticContact CD1-CZ 3.85Å; F116-Y128 HydrophobicContact CD2-CD1 4.46Å; F116-Y128 HydrophobicContact CD2-CG 4.46Å; F116-Y128 HydrophobicContact CE1-CD1 4.25Å; F116-Y128 HydrophobicContact CE1-CE1 4.15Å; F116-Y128 AromaticContact CG-CD1 3.71Å; F116-Y128 HydrophobicContact CG-CD1 3.71Å; F116-Y128 HydrophobicContact CG-CD2 4.14Å; F116-Y128 HydrophobicContact CG-CE1 4.01Å; F116-Y128 HydrophobicContact CG-CE2 4.39Å; F116-Y128 AromaticContact CG-CG 3.74Å; F116-Y128 HydrophobicContact CG-CG 3.74Å; F116-Y129 HydrophobicContact CZ-CE2 4.17Å |
| 117 | S | 89 | Confident | 83 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 16% | 0.161 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.8 | 179 | 77.8 | 0 | 0 | 0 | 0 | 111.6 | V91 S121 | V91-S117 VanDerWaalsContact CG2-CB 3.47Å; S117-S121 VanDerWaalsContact CA-O 3.31Å; S117-S121 WeakPolarHBondContact CA-O 3.4Å |
| 118 | K | 85.6 | Confident | 82.9 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 28% | 0.278 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 134.2 | 174.2 | -157.7 | -173 | 172.4 | -92.9 | 0 | 108.9 | G120 S121 Y123 Y128 F132 | K118-G120 PolarHBondContact O-N 2.87Å; K118-G120 VanDerWaalsContact O-N 3.1Å; K118-S121 PolarHBondContact N-O 2.82Å; K118-S121 PolarHBondContact O-N 3.03Å; K118-Y123 HydrophobicContact CB-CE2 4.15Å; K118-Y128 HydrophobicContact CB-CE2 4.28Å; K118-F132 HydrophobicContact CB-CE2 4.34Å; K118-F132 HydrophobicContact CD-CD1 3.59Å; K118-F132 HydrophobicContact CD-CD2 3.98Å; K118-F132 HydrophobicContact CD-CE1 3.65Å; K118-F132 HydrophobicContact CD-CE2 4.03Å; K118-F132 HydrophobicContact CD-CG 3.76Å; K118-F132 HydrophobicContact CD-CZ 3.86Å |
| 119 | D | 83.8 | Confident | 82.6 | Confident | 135 Ų | 135 | 59.6 Ų | 59.6 | 72% | 0.722 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36.3 | 175.5 | -49.3 | -40.5 | 0 | 0 | 0 | 113.2 | S121 | D119-S121 PolarHBondContact O-N 2.89Š|
| 120 | G | 81.6 | Confident | 82.4 | Confident | 78 Ų | 78 | 65.2 Ų | 65.2 | 80% | 0.804 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | K118 | K118-G120 PolarHBondContact O-N 2.87Å; K118-G120 VanDerWaalsContact O-N 3.1Å |
| 121 | S | 88.4 | Confident | 82.3 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 144.7 | 176.6 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | S117 K118 D119 Y123 | S117-S121 VanDerWaalsContact CA-O 3.31Å; S117-S121 WeakPolarHBondContact CA-O 3.4Å; K118-S121 PolarHBondContact N-O 2.82Å; K118-S121 PolarHBondContact O-N 3.03Å; D119-S121 PolarHBondContact O-N 2.89Å; S121-Y123 WeakPolarHBondContact CB-OH 3.45Å; S121-Y123 WeakPolarHBondContact O-CD2 3.42Å; S121-Y123 WeakPolarHBondContact O-CE2 3.38Å |
| 122 | I | 88.8 | Confident | 82.8 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.041 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 136.7 | 179 | -53.4 | -59.8 | 0 | 0 | 0 | 109.9 | V91 W95 L100 C102 C103 L109 C115 F116 | V91-I122 HydrophobicContact CB-CD1 4.47Å; V91-I122 HydrophobicContact CG2-CD1 3.57Å; W95-I122 HydrophobicContact CH2-CG1 4.12Å; W95-I122 HydrophobicContact CZ2-CD1 4.46Å; W95-I122 HydrophobicContact CZ2-CG1 4.04Å; L100-I122 HydrophobicContact CD1-CG1 4.48Å; L100-I122 HydrophobicContact CD1-CG2 4.22Å; C102-I122 CarbonylContact C-O 3.55Å; C103-I122 WeakPolarHBondContact CB-O 3.33Å; C103-I122 PolarHBondContact N-O 2.72Å; L109-I122 HydrophobicContact CD1-CG2 3.61Å; C115-I122 HydrophobicContact CB-CG2 3.94Å; F116-I122 CarbonylContact O-C 3.57Å; F116-I122 WeakPolarHBondContact O-CA 3.46Å |
| 123 | Y | 88.8 | Confident | 83.1 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.1 | -177.5 | -61.3 | -87.3 | 0 | 0 | 0 | 110.8 | C103 E104 F116 K118 S121 Y128 F132 | C103-Y123 HydrophobicContact CB-CE1 4.36Å; E104-Y123 HydrophobicContact CG-CD1 3.83Å; E104-Y123 HydrophobicContact CG-CE1 3.69Å; E104-Y123 WeakPolarHBondContact OE1-CE1 3.49Å; F116-Y123 PolarHBondContact N-O 3.31Å; F116-Y123 PolarHBondContact O-N 2.93Å; K118-Y123 HydrophobicContact CB-CE2 4.15Å; S121-Y123 WeakPolarHBondContact CB-OH 3.45Å; S121-Y123 WeakPolarHBondContact O-CD2 3.42Å; S121-Y123 WeakPolarHBondContact O-CE2 3.38Å; Y123-Y128 HydrophobicContact CD2-CD2 4.21Å; Y123-Y128 HydrophobicContact CG-CD2 4.34Å; Y123-F132 HydrophobicContact CD1-CE2 4.12Å; Y123-F132 AromaticContact CD2-CE2 3.88Å; Y123-F132 HydrophobicContact CD2-CE2 3.88Å; Y123-F132 AromaticContact CE1-CE2 3.89Å; Y123-F132 HydrophobicContact CE1-CE2 3.89Å; Y123-F132 HydrophobicContact CE1-CZ 4.14Å; Y123-F132 AromaticContact CE2-CE2 3.63Å; Y123-F132 HydrophobicContact CE2-CE2 3.63Å; Y123-F132 AromaticContact CE2-CZ 3.98Å; Y123-F132 HydrophobicContact CE2-CZ 3.98Å; Y123-F132 HydrophobicContact CG-CE2 4.13Å; Y123-F132 AromaticContact CZ-CE2 3.65Å; Y123-F132 AromaticContact CZ-CZ 3.7Å |
| 124 | C | 88.3 | Confident | 83.4 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 5% | 0.054 | 32% | 0.319 | C | S | . | . | trans | -67.8 | 161.9 | 163.2 | 72 | 0 | 0 | 0 | 0 | 109.6 | C102 L109 E126 D127 Y128 | C102-C124 HydrophobicContact CB-CB 4.04Å; C102-C124 PolarHBondContact SG-N 3.47Å; L109-C124 HydrophobicContact CD2-CB 3.6Å; C124-E126 VanDerWaalsContact C-N 3.27Å; C124-E126 PolarHBondContact O-N 3.21Å; C124-D127 PolarHBondContact O-N 3.07Å; C124-D127 VanDerWaalsContact SG-CG 3.6Å; C124-D127 PolarHBondContact SG-N 3.26Å; C124-D127 PolarHBondContact SG-OD2 2.79Å; C124-D127 VanDerWaalsContact SG-OD2 3.32Å; C124-Y128 WeakPolarHBondContact O-CB 3.39Å; C124-Y128 PolarHBondContact O-N 2.87Å | ||
| 125 | K | 84.8 | Confident | 83.6 | Confident | 109 Ų | 109 | 62.6 Ų | 62.6 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -52.5 | -46.3 | 178.7 | -174.9 | 178 | 177.6 | -178.3 | 0 | 112.6 | E112 F116 Y129 | E112-K125 PolarHBondContact OE2-N 3.37Å; F116-K125 HydrophobicContact CD2-CB 4.25Å; F116-K125 HydrophobicContact CE2-CB 3.78Å; F116-K125 HydrophobicContact CE2-CG 3.78Å; F116-K125 HydrophobicContact CZ-CG 4.35Å; K125-Y129 HydrophobicContact CG-CD2 3.89Å; K125-Y129 HydrophobicContact CG-CE2 3.77Å; K125-Y129 WeakPolarHBondContact O-CD2 3.42Å; K125-Y129 PolarHBondContact O-N 3.32Å; K125-Y129 VanDerWaalsContact O-N 3.13Å |
| 126 | E | 84.3 | Confident | 83.8 | Confident | 112 Ų | 112 | 67.8 Ų | 67.8 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -52.3 | -176.1 | 179.8 | 59.3 | -155.5 | 0 | 0 | 112.6 | C124 Y128 Y129 R130 | C124-E126 VanDerWaalsContact C-N 3.27Å; C124-E126 PolarHBondContact O-N 3.21Å; E126-Y128 VanDerWaalsContact C-N 3.31Å; E126-Y128 PolarHBondContact O-N 2.99Å; E126-Y129 PolarHBondContact O-N 3.21Å; E126-R130 WeakPolarHBondContact O-CB 3.42Å; E126-R130 PolarHBondContact O-N 3.3Å; E126-R130 IonicContact OE1-CZ 3.74Å; E126-R130 IonicContact OE1-NE 2.94Å; E126-R130 IonicContact OE1-NH2 3.52Å; E126-R130 PolarHBondContact OE1-NH2 2.83Å |
| 127 | D | 85.3 | Confident | 83.9 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | -179.4 | -72.9 | -36.9 | 0 | 0 | 0 | 112 | C102 E104 C105 C124 R130 R131 | C102-D127 PolarHBondContact SG-OD2 3.26Å; E104-D127 HydrophobicContact CB-CB 4.12Å; E104-D127 WeakPolarHBondContact CB-OD2 3.18Å; E104-D127 HydrophobicContact CG-CB 4.26Å; C105-D127 VanDerWaalsContact CB-OD2 3.23Å; C105-D127 WeakPolarHBondContact CB-OD2 3.32Å; C105-D127 PolarHBondContact N-OD2 2.94Å; C105-D127 PolarHBondContact SG-OD2 2.84Å; C124-D127 PolarHBondContact O-N 3.07Å; C124-D127 VanDerWaalsContact SG-CG 3.6Å; C124-D127 PolarHBondContact SG-N 3.26Å; C124-D127 PolarHBondContact SG-OD2 2.79Å; C124-D127 VanDerWaalsContact SG-OD2 3.32Å; D127-R130 PolarHBondContact O-N 2.9Å; D127-R131 WeakPolarHBondContact O-CB 3.41Å; D127-R131 PolarHBondContact O-N 3.4Å |
| 128 | Y | 86.6 | Confident | 84 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 9% | 0.086 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.4 | -54.2 | 175.2 | -176.1 | -98.8 | 0 | 0 | 0 | 111.4 | W18 F116 K118 Y123 C124 E126 R130 R131 F132 | W18-Y128 AromaticContact CZ3-CZ 3.97Å; W18-Y128 WeakPolarHBondContact CZ3-OH 3.42Å; F116-Y128 HydrophobicContact CB-CD1 3.87Å; F116-Y128 HydrophobicContact CB-CD2 3.35Å; F116-Y128 HydrophobicContact CB-CE1 4.16Å; F116-Y128 HydrophobicContact CB-CE2 3.65Å; F116-Y128 HydrophobicContact CB-CG 3.43Å; F116-Y128 VanDerWaalsContact CB-CG 3.43Å; F116-Y128 AromaticContact CD1-CD1 3.58Å; F116-Y128 HydrophobicContact CD1-CD1 3.58Å; F116-Y128 HydrophobicContact CD1-CD2 4.49Å; F116-Y128 AromaticContact CD1-CE1 3.46Å; F116-Y128 HydrophobicContact CD1-CE1 3.46Å; F116-Y128 VanDerWaalsContact CD1-CE1 3.46Å; F116-Y128 HydrophobicContact CD1-CE2 4.37Å; F116-Y128 HydrophobicContact CD1-CG 4.08Å; F116-Y128 AromaticContact CD1-CZ 3.85Å; F116-Y128 HydrophobicContact CD2-CD1 4.46Å; F116-Y128 HydrophobicContact CD2-CG 4.46Å; F116-Y128 HydrophobicContact CE1-CD1 4.25Å; F116-Y128 HydrophobicContact CE1-CE1 4.15Å; F116-Y128 AromaticContact CG-CD1 3.71Å; F116-Y128 HydrophobicContact CG-CD1 3.71Å; F116-Y128 HydrophobicContact CG-CD2 4.14Å; F116-Y128 HydrophobicContact CG-CE1 4.01Å; F116-Y128 HydrophobicContact CG-CE2 4.39Å; F116-Y128 AromaticContact CG-CG 3.74Å; F116-Y128 HydrophobicContact CG-CG 3.74Å; K118-Y128 HydrophobicContact CB-CE2 4.28Å; Y123-Y128 HydrophobicContact CD2-CD2 4.21Å; Y123-Y128 HydrophobicContact CG-CD2 4.34Å; C124-Y128 WeakPolarHBondContact O-CB 3.39Å; C124-Y128 PolarHBondContact O-N 2.87Å; E126-Y128 VanDerWaalsContact C-N 3.31Å; E126-Y128 PolarHBondContact O-N 2.99Å; Y128-R130 VanDerWaalsContact C-N 3.31Å; Y128-R130 PolarHBondContact O-N 3.46Å; Y128-R131 PolarHBondContact O-N 2.95Å; Y128-F132 AromaticContact CD2-CD2 3.59Å; Y128-F132 HydrophobicContact CD2-CD2 3.59Å; Y128-F132 HydrophobicContact CD2-CE2 4.12Å; Y128-F132 AromaticContact CE2-CD2 3.96Å; Y128-F132 HydrophobicContact CE2-CD2 3.96Å; Y128-F132 HydrophobicContact CG-CD2 4.16Å; Y128-F132 WeakPolarHBondContact O-CA 3.49Å; Y128-F132 WeakPolarHBondContact O-CB 3.48Å; Y128-F132 WeakPolarHBondContact O-CD2 3.44Å; Y128-F132 PolarHBondContact O-N 3.02Å |
| 129 | Y | 81.6 | Confident | 84.3 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.8 | -33.7 | 175.7 | -73.7 | -62.7 | 0 | 0 | 0 | 111.9 | F116 K125 E126 R131 S133 | F116-Y129 HydrophobicContact CZ-CE2 4.17Å; K125-Y129 HydrophobicContact CG-CD2 3.89Å; K125-Y129 HydrophobicContact CG-CE2 3.77Å; K125-Y129 WeakPolarHBondContact O-CD2 3.42Å; K125-Y129 PolarHBondContact O-N 3.32Å; K125-Y129 VanDerWaalsContact O-N 3.13Å; E126-Y129 PolarHBondContact O-N 3.21Å; Y129-R131 PolarHBondContact O-N 3.43Å; Y129-S133 WeakPolarHBondContact O-CB 3.42Å; Y129-S133 PolarHBondContact O-N 2.86Å; Y129-S133 PolarHBondContact O-OG 2.85Å |
| 130 | R | 79.4 | Confident | 84.6 | Confident | 124 Ų | 124 | 63.7 Ų | 63.7 | 47% | 0.468 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 177.7 | -176.4 | 177.8 | -63.6 | -143.5 | -1.9 | 113.6 | E126 D127 Y128 R136 | E126-R130 WeakPolarHBondContact O-CB 3.42Å; E126-R130 PolarHBondContact O-N 3.3Å; E126-R130 IonicContact OE1-CZ 3.74Å; E126-R130 IonicContact OE1-NE 2.94Å; E126-R130 IonicContact OE1-NH2 3.52Å; E126-R130 PolarHBondContact OE1-NH2 2.83Å; D127-R130 PolarHBondContact O-N 2.9Å; Y128-R130 VanDerWaalsContact C-N 3.31Å; Y128-R130 PolarHBondContact O-N 3.46Å; R130-R136 PolarHBondContact O-NH1 3.22Å |
| 131 | R | 77.6 | Confident | 84.9 | Confident | 140 Ų | 140 | 65.8 Ų | 65.8 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -93.9 | -36.9 | -179.1 | -69.8 | -169 | 171.3 | -145 | -4.6 | 114 | E104 D127 Y128 Y129 | E104-R131 VanDerWaalsContact CD-NH2 3.34Å; E104-R131 IonicContact OE1-CZ 2.74Å; E104-R131 IonicContact OE1-NE 3.97Å; E104-R131 IonicContact OE1-NH1 3.95Å; E104-R131 PolarHBondContact OE1-NH1 3.42Å; E104-R131 IonicContact OE1-NH2 3.25Å; E104-R131 IonicContact OE2-CZ 3.83Å; E104-R131 IonicContact OE2-NE 3.14Å; E104-R131 IonicContact OE2-NH1 2.64Å; E104-R131 PolarHBondContact OE2-NH1 3.33Å; E104-R131 VanDerWaalsContact OE2-NH1 3.14Å; E104-R131 IonicContact OE2-NH2 2.69Å; E104-R131 PolarHBondContact OE2-NH2 2.6Å; D127-R131 WeakPolarHBondContact O-CB 3.41Å; D127-R131 PolarHBondContact O-N 3.4Å; Y128-R131 PolarHBondContact O-N 2.95Å; Y129-R131 PolarHBondContact O-N 3.43Å |
| 132 | F | 79.9 | Confident | 84.8 | Confident | 50 Ų | 50 | 68.5 Ų | 68.5 | 22% | 0.219 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -115 | 10.6 | -170.6 | -48.2 | -61.3 | 0 | 0 | 0 | 114 | K118 Y123 Y128 V134 | K118-F132 HydrophobicContact CB-CE2 4.34Å; K118-F132 HydrophobicContact CD-CD1 3.59Å; K118-F132 HydrophobicContact CD-CD2 3.98Å; K118-F132 HydrophobicContact CD-CE1 3.65Å; K118-F132 HydrophobicContact CD-CE2 4.03Å; K118-F132 HydrophobicContact CD-CG 3.76Å; K118-F132 HydrophobicContact CD-CZ 3.86Å; Y123-F132 HydrophobicContact CD1-CE2 4.12Å; Y123-F132 AromaticContact CD2-CE2 3.88Å; Y123-F132 HydrophobicContact CD2-CE2 3.88Å; Y123-F132 AromaticContact CE1-CE2 3.89Å; Y123-F132 HydrophobicContact CE1-CE2 3.89Å; Y123-F132 HydrophobicContact CE1-CZ 4.14Å; Y123-F132 AromaticContact CE2-CE2 3.63Å; Y123-F132 HydrophobicContact CE2-CE2 3.63Å; Y123-F132 AromaticContact CE2-CZ 3.98Å; Y123-F132 HydrophobicContact CE2-CZ 3.98Å; Y123-F132 HydrophobicContact CG-CE2 4.13Å; Y123-F132 AromaticContact CZ-CE2 3.65Å; Y123-F132 AromaticContact CZ-CZ 3.7Å; Y128-F132 AromaticContact CD2-CD2 3.59Å; Y128-F132 HydrophobicContact CD2-CD2 3.59Å; Y128-F132 HydrophobicContact CD2-CE2 4.12Å; Y128-F132 AromaticContact CE2-CD2 3.96Å; Y128-F132 HydrophobicContact CE2-CD2 3.96Å; Y128-F132 HydrophobicContact CG-CD2 4.16Å; Y128-F132 WeakPolarHBondContact O-CA 3.49Å; Y128-F132 WeakPolarHBondContact O-CB 3.48Å; Y128-F132 WeakPolarHBondContact O-CD2 3.44Å; Y128-F132 PolarHBondContact O-N 3.02Å; F132-V134 PolarHBondContact O-N 3.03Å |
| 133 | S | 75.5 | Confident | 84.7 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 12% | 0.119 | 33% | 0.328 | C | S | . | . | trans | -61.2 | 120.3 | 164.2 | 44.2 | 0 | 0 | 0 | 0 | 110.2 | Y129 Q135 G143 | Y129-S133 WeakPolarHBondContact O-CB 3.42Å; Y129-S133 PolarHBondContact O-N 2.86Å; Y129-S133 PolarHBondContact O-OG 2.85Å; S133-Q135 PolarHBondContact O-N 3.01Å; S133-G143 WeakPolarHBondContact OG-CA 3.46Å | ||
| 134 | V | 72.1 | Confident | 84.6 | Confident | 128 Ų | 128 | 69.3 Ų | 69.3 | 78% | 0.776 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -64.6 | -24.9 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | F132 | F132-V134 PolarHBondContact O-N 3.03Š|
| 135 | Q | 81 | Confident | 84.3 | Confident | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | trans | -122 | 119.9 | -174.9 | -68.5 | -75.1 | -10.4 | 0 | 0 | 110.1 | S133 I144 | S133-Q135 PolarHBondContact O-N 3.01Å; Q135-I144 PolarHBondContact O-N 3.29Å | ||
| 136 | R | 88.9 | Confident | 84.2 | Confident | 113 Ų | 113 | 70.9 Ų | 70.9 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -113.4 | 142.8 | 176.2 | -54.3 | -174.4 | 79.2 | 91.4 | -0.1 | 110 | R130 A138 H141 L142 | R130-R136 PolarHBondContact O-NH1 3.22Å; R136-A138 PolarHBondContact O-N 3.43Å; R136-H141 VanDerWaalsContact CZ-O 3.23Å; R136-H141 PolarHBondContact NE-O 2.73Å; R136-H141 PolarHBondContact NH2-O 3.37Å; R136-L142 WeakPolarHBondContact CA-O 3.44Å |
| 137 | C | 91.3 | Very high | 84 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.373 | C | S | . | . | trans | -66.1 | 122.3 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | R139 C140 H141 L142 I144 V157 H159 C162 | C137-R139 PolarHBondContact O-N 3.19Å; C137-C140 VanDerWaalsContact CB-SG 3.6Å; C137-C140 PolarHBondContact O-N 3.01Å; C137-H141 WeakPolarHBondContact O-CA 3Å; C137-H141 PolarHBondContact O-N 3.19Å; C137-L142 PolarHBondContact N-O 3.02Å; C137-I144 HydrophobicContact CB-CD1 4.3Å; C137-I144 HydrophobicContact CB-CG1 4.26Å; C137-V157 CarbonylContact C-O 3.59Å; C137-V157 WeakPolarHBondContact CA-O 3.48Å; C137-H159 VanDerWaalsContact CB-CE1 3.42Å; C137-H159 WeakPolarHBondContact CB-CE1 3.2Å; C137-C162 VanDerWaalsContact SG-CB 3.56Å | ||
| 138 | A | 91.4 | Very high | 84.1 | Confident | 32 Ų | 32 | 74 Ų | 74 | 26% | 0.264 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -9.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R136 H141 L156 V157 Y158 | R136-A138 PolarHBondContact O-N 3.43Å; A138-H141 PolarHBondContact O-CE1 2.74Å; A138-L156 HydrophobicContact CB-CB 3.98Å; A138-L156 HydrophobicContact CB-CD1 4.2Å; A138-L156 HydrophobicContact CB-CD2 4.09Å; A138-L156 HydrophobicContact CB-CG 4.32Å; A138-V157 PolarHBondContact N-O 3.13Å; A138-Y158 HydrophobicContact CB-CD1 4.22Å; A138-Y158 HydrophobicContact CB-CE1 3.71Å; A138-Y158 HydrophobicContact CB-CE2 4.39Å |
| 139 | R | 90.8 | Very high | 84.3 | Confident | 86 Ų | 86 | 80 Ų | 80 | 33% | 0.325 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -40.5 | 179 | -177.2 | 101.4 | -178.5 | 179 | 5.8 | 114 | C137 Y158 C162 T164 T166 | C137-R139 PolarHBondContact O-N 3.19Å; R139-Y158 HydrophobicContact CB-CD1 3.87Å; R139-Y158 HydrophobicContact CB-CE1 4.19Å; R139-C162 HydrophobicContact CB-CB 3.95Å; R139-C162 WeakPolarHBondContact CD-O 3.42Å; R139-C162 HydrophobicContact CG-CB 4.13Å; R139-T164 PolarHBondContact NH1-O 3.32Å; R139-T164 VanDerWaalsContact NH1-O 3.1Å; R139-T166 PolarHBondContact NH1-OG1 2.95Å |
| 140 | C | 90.7 | Very high | 84.9 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 32% | 0.324 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -3.1 | -177.3 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | C137 L142 H159 C162 | C137-C140 VanDerWaalsContact CB-SG 3.6Å; C137-C140 PolarHBondContact O-N 3.01Å; C140-L142 PolarHBondContact O-N 3.21Å; C140-H159 PolarHBondContact SG-CE1 3.12Å; C140-H159 PolarHBondContact SG-ND1 3.21Å; C140-H159 VanDerWaalsContact SG-ND1 3.37Å; C140-C162 VanDerWaalsContact SG-SG 3.62Å |
| 141 | H | 87.8 | Confident | 85.5 | Confident | 123 Ų | 123 | 73.8 Ų | 73.8 | 57% | 0.569 | 40% | 0.401 | S | S | * | . | trans | 55.9 | 12.1 | 178.4 | -48.6 | -62 | 0 | 0 | 0 | 115.9 | R136 C137 A138 | R136-H141 VanDerWaalsContact CZ-O 3.23Å; R136-H141 PolarHBondContact NE-O 2.73Å; R136-H141 PolarHBondContact NH2-O 3.37Å; C137-H141 WeakPolarHBondContact O-CA 3Å; C137-H141 PolarHBondContact O-N 3.19Å; A138-H141 PolarHBondContact O-CE1 2.74Å | ||
| 142 | L | 86.6 | Confident | 86.3 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 150.7 | 169.1 | -62.7 | 173.5 | 0 | 0 | 0 | 110.4 | R136 C137 C140 | R136-L142 WeakPolarHBondContact CA-O 3.44Å; C137-L142 PolarHBondContact N-O 3.02Å; C140-L142 PolarHBondContact O-N 3.21Å |
| 143 | G | 85.8 | Confident | 86.8 | Confident | 25 Ų | 25 | 72.5 Ų | 72.5 | 26% | 0.258 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 138.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S133 | S133-G143 WeakPolarHBondContact OG-CA 3.46Å |
| 144 | I | 87 | Confident | 87.5 | Confident | 19 Ų | 19 | 80.2 Ų | 80.2 | 10% | 0.097 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -92 | 132.5 | 179.6 | -53.2 | -176.6 | 0 | 0 | 0 | 108.9 | Q135 C137 E148 V150 V157 | Q135-I144 PolarHBondContact O-N 3.29Å; C137-I144 HydrophobicContact CB-CD1 4.3Å; C137-I144 HydrophobicContact CB-CG1 4.26Å; I144-E148 HydrophobicContact CG2-CB 4.49Å; I144-V150 HydrophobicContact CD1-CG1 3.9Å; I144-V150 HydrophobicContact CG2-CG1 3.42Å; I144-V150 VanDerWaalsContact CG2-CG1 3.42Å; I144-V157 HydrophobicContact CD1-CB 3.93Å; I144-V157 HydrophobicContact CD1-CG1 3.45Å; I144-V157 VanDerWaalsContact CD1-CG1 3.45Å |
| 145 | S | 83 | Confident | 88.3 | Confident | 42 Ų | 42 | 81.6 Ų | 81.6 | 29% | 0.294 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 144.9 | 176 | 76.8 | 0 | 0 | 0 | 0 | 112.2 | S147 E148 | S145-S147 PolarHBondContact O-N 2.87Å; S145-S147 VanDerWaalsContact O-N 3.08Å; S145-S147 PolarHBondContact OG-OG 3.1Å; S145-E148 WeakPolarHBondContact O-CB 3.48Å; S145-E148 PolarHBondContact O-N 2.98Å; S145-E148 WeakPolarHBondContact OG-CB 3.23Å; S145-E148 PolarHBondContact OG-N 3.41Å |
| 146 | A | 80.9 | Confident | 88.8 | Confident | 107 Ų | 107 | 79.9 Ų | 79.9 | 88% | 0.884 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 147 | S | 80.5 | Confident | 89 | Confident | 114 Ų | 114 | 75 Ų | 75 | 80% | 0.797 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -8.5 | 175.5 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | S145 | S145-S147 PolarHBondContact O-N 2.87Å; S145-S147 VanDerWaalsContact O-N 3.08Å; S145-S147 PolarHBondContact OG-OG 3.1Å |
| 148 | E | 88.4 | Confident | 89.1 | Confident | 84 Ų | 84 | 75.2 Ų | 75.2 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -88.3 | 138.2 | -176.5 | 177.6 | 169.5 | -169.1 | 0 | 0 | 111.4 | I144 S145 H159 | I144-E148 HydrophobicContact CG2-CB 4.49Å; S145-E148 WeakPolarHBondContact O-CB 3.48Å; S145-E148 PolarHBondContact O-N 2.98Å; S145-E148 WeakPolarHBondContact OG-CB 3.23Å; S145-E148 PolarHBondContact OG-N 3.41Å; E148-H159 IonicContact OE1-CD2 3.61Å; E148-H159 PolarHBondContact OE1-CD2 3.4Å; E148-H159 IonicContact OE1-CG 3.11Å; E148-H159 IonicContact OE2-CD2 2.87Å; E148-H159 IonicContact OE2-NE2 2.72Å |
| 149 | M | 90 | Very high | 89.2 | Confident | 147 Ų | 147 | 74.5 Ų | 74.5 | 72% | 0.724 | 39% | 0.393 | S | S | * | . | trans | -72.6 | 142.2 | 173.9 | -64.8 | -176.3 | 67.6 | 0 | 0 | 110 | L160 | M149-L160 VanDerWaalsContact C-CD1 3.47Å; M149-L160 HydrophobicContact CB-CD1 3.9Å; M149-L160 WeakPolarHBondContact O-CD1 3.18Å | ||
| 150 | V | 93.4 | Very high | 89.3 | Confident | 44 Ų | 44 | 73.8 Ų | 73.8 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 156.3 | -178.7 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | I144 R152 V157 Y158 | I144-V150 HydrophobicContact CD1-CG1 3.9Å; I144-V150 HydrophobicContact CG2-CG1 3.42Å; I144-V150 VanDerWaalsContact CG2-CG1 3.42Å; V150-R152 HydrophobicContact CG2-CG 4.32Å; V150-V157 HydrophobicContact CB-CG1 3.56Å; V150-V157 HydrophobicContact CG1-CG1 3.68Å; V150-V157 HydrophobicContact CG2-CG1 3.81Å; V150-Y158 WeakPolarHBondContact CA-O 3.48Å |
| 151 | M | 93.3 | Very high | 89.5 | Confident | 45 Ų | 45 | 77.8 Ų | 77.8 | 22% | 0.222 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.8 | 157 | -72.8 | -79.7 | 78.2 | 0 | 0 | 109.1 | Y158 L160 F163 | M151-Y158 PolarHBondContact N-O 3.02Å; M151-Y158 PolarHBondContact O-N 3.43Å; M151-L160 HydrophobicContact CG-CD1 4.4Å; M151-F163 HydrophobicContact CB-CB 3.94Å; M151-F163 HydrophobicContact CB-CD1 4.11Å; M151-F163 HydrophobicContact CB-CD2 3.81Å; M151-F163 HydrophobicContact CB-CE2 4.36Å; M151-F163 HydrophobicContact CB-CG 3.68Å; M151-F163 HydrophobicContact CG-CB 3.88Å; M151-F163 HydrophobicContact CG-CD1 3.86Å; M151-F163 HydrophobicContact CG-CD2 4.44Å; M151-F163 HydrophobicContact CG-CG 3.8Å; M151-F163 HydrophobicContact SD-CD1 4.2Å; M151-F163 HydrophobicContact SD-CE1 4.47Å |
| 152 | R | 93.3 | Very high | 89.8 | Confident | 156 Ų | 156 | 73 Ų | 73 | 59% | 0.589 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.9 | 169.3 | -67 | -169.5 | 172.4 | 174.5 | 0.8 | 108.6 | V150 L156 V157 | V150-R152 HydrophobicContact CG2-CG 4.32Å; R152-L156 WeakPolarHBondContact CA-O 2.97Å; R152-V157 HydrophobicContact CG-CG1 4.32Å; R152-V157 HydrophobicContact CG-CG2 4.19Å |
| 153 | A | 91 | Very high | 90.2 | Very high | 7 Ų | 7 | 68.6 Ų | 68.6 | 6% | 0.058 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 113.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | L156 Y158 F163 F178 M180 | A153-L156 PolarHBondContact N-O 3.43Å; A153-L156 PolarHBondContact O-N 2.79Å; A153-Y158 HydrophobicContact CB-CE2 4.31Å; A153-F163 HydrophobicContact CB-CE2 3.84Å; A153-F163 HydrophobicContact CB-CZ 4.17Å; A153-F178 HydrophobicContact CB-CE2 4.09Å; A153-F178 HydrophobicContact CB-CZ 4.04Å; A153-M180 HydrophobicContact CB-CE 3.51Å |
| 154 | R | 89.4 | Confident | 90.7 | Very high | 179 Ų | 179 | 68.4 Ų | 68.4 | 68% | 0.675 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | -138.8 | -160.4 | -55.1 | -178 | -179.6 | 149.4 | 3.2 | 109.2 | L156 M180 | R154-L156 PolarHBondContact O-N 2.78Å; R154-M180 HydrophobicContact CG-SD 4.15Å; R154-M180 PolarHBondContact NH2-O 3.39Å |
| 155 | D | 89.6 | Confident | 91.1 | Very high | 157 Ų | 157 | 67.5 Ų | 67.5 | 84% | 0.84 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 5 | -177.7 | -43.5 | -70.2 | 0 | 0 | 0 | 113.4 | ||
| 156 | L | 91.9 | Very high | 91.6 | Very high | 52 Ų | 52 | 67.9 Ų | 67.9 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 139.6 | -176.3 | -60.8 | 178.5 | 0 | 0 | 0 | 112 | A138 R152 A153 R154 Y158 S183 | A138-L156 HydrophobicContact CB-CB 3.98Å; A138-L156 HydrophobicContact CB-CD1 4.2Å; A138-L156 HydrophobicContact CB-CD2 4.09Å; A138-L156 HydrophobicContact CB-CG 4.32Å; R152-L156 WeakPolarHBondContact CA-O 2.97Å; A153-L156 PolarHBondContact N-O 3.43Å; A153-L156 PolarHBondContact O-N 2.79Å; R154-L156 PolarHBondContact O-N 2.78Å; L156-Y158 HydrophobicContact CB-CE2 3.63Å; L156-Y158 WeakPolarHBondContact CD1-OH 3.44Å; L156-S183 VanDerWaalsContact CD1-CB 3.5Å |
| 157 | V | 92.8 | Very high | 92.2 | Very high | 11 Ų | 11 | 67 Ų | 67 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.3 | 179.8 | -165.4 | 0 | 0 | 0 | 0 | 110 | C137 A138 I144 V150 R152 | C137-V157 CarbonylContact C-O 3.59Å; C137-V157 WeakPolarHBondContact CA-O 3.48Å; A138-V157 PolarHBondContact N-O 3.13Å; I144-V157 HydrophobicContact CD1-CB 3.93Å; I144-V157 HydrophobicContact CD1-CG1 3.45Å; I144-V157 VanDerWaalsContact CD1-CG1 3.45Å; V150-V157 HydrophobicContact CB-CG1 3.56Å; V150-V157 HydrophobicContact CG1-CG1 3.68Å; V150-V157 HydrophobicContact CG2-CG1 3.81Å; R152-V157 HydrophobicContact CG-CG1 4.32Å; R152-V157 HydrophobicContact CG-CG2 4.19Å |
| 158 | Y | 93 | Very high | 92.9 | Very high | 3 Ų | 3 | 64.2 Ų | 64.2 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 144.2 | -176.7 | -56.7 | -99.8 | 0 | 0 | 0 | 109.9 | A138 R139 V150 M151 A153 L156 F163 M180 S183 V185 | A138-Y158 HydrophobicContact CB-CD1 4.22Å; A138-Y158 HydrophobicContact CB-CE1 3.71Å; A138-Y158 HydrophobicContact CB-CE2 4.39Å; R139-Y158 HydrophobicContact CB-CD1 3.87Å; R139-Y158 HydrophobicContact CB-CE1 4.19Å; V150-Y158 WeakPolarHBondContact CA-O 3.48Å; M151-Y158 PolarHBondContact N-O 3.02Å; M151-Y158 PolarHBondContact O-N 3.43Å; A153-Y158 HydrophobicContact CB-CE2 4.31Å; L156-Y158 HydrophobicContact CB-CE2 3.63Å; L156-Y158 WeakPolarHBondContact CD1-OH 3.44Å; Y158-F163 HydrophobicContact CD1-CD2 4.46Å; Y158-F163 AromaticContact CD2-CD2 3.84Å; Y158-F163 HydrophobicContact CD2-CD2 3.84Å; Y158-F163 HydrophobicContact CD2-CE2 4.12Å; Y158-F163 HydrophobicContact CE2-CD2 4.42Å; Y158-F163 HydrophobicContact CE2-CE2 4.35Å; Y158-F163 AromaticContact CG-CD2 3.87Å; Y158-F163 HydrophobicContact CG-CD2 3.87Å; Y158-M180 HydrophobicContact CE2-CE 4.09Å; Y158-M180 WeakPolarHBondContact OH-CE 3.45Å; Y158-S183 PolarHBondContact OH-O 3.46Å; Y158-V185 HydrophobicContact CE1-CG2 4.29Å; Y158-V185 HydrophobicContact CE2-CG2 4.47Å |
| 159 | H | 93.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 64.2 Ų | 64.2 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 151.2 | 161.3 | -50.7 | 121.1 | 0 | 0 | 0 | 109.7 | C137 C140 E148 N161 C162 F163 | C137-H159 VanDerWaalsContact CB-CE1 3.42Å; C137-H159 WeakPolarHBondContact CB-CE1 3.2Å; C140-H159 PolarHBondContact SG-CE1 3.12Å; C140-H159 PolarHBondContact SG-ND1 3.21Å; C140-H159 VanDerWaalsContact SG-ND1 3.37Å; E148-H159 IonicContact OE1-CD2 3.61Å; E148-H159 PolarHBondContact OE1-CD2 3.4Å; E148-H159 IonicContact OE1-CG 3.11Å; E148-H159 IonicContact OE2-CD2 2.87Å; E148-H159 IonicContact OE2-NE2 2.72Å; H159-N161 VanDerWaalsContact C-N 3.26Å; H159-N161 PolarHBondContact O-N 2.97Å; H159-C162 HydrophobicContact CB-CB 4Å; H159-C162 CarbonylContact O-C 3.58Å; H159-C162 WeakPolarHBondContact O-CA 3.49Å; H159-C162 WeakPolarHBondContact O-CB 3.2Å; H159-C162 PolarHBondContact O-N 3.08Å; H159-F163 PolarHBondContact O-N 3.13Å |
| 160 | L | 93.1 | Very high | 93.4 | Very high | 70 Ų | 70 | 62 Ų | 62 | 37% | 0.366 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -52.8 | -45.5 | 175.7 | -90.3 | 63.5 | 0 | 0 | 0 | 111.8 | M149 M151 C162 F163 | M149-L160 VanDerWaalsContact C-CD1 3.47Å; M149-L160 HydrophobicContact CB-CD1 3.9Å; M149-L160 WeakPolarHBondContact O-CD1 3.18Å; M151-L160 HydrophobicContact CG-CD1 4.4Å; L160-C162 PolarHBondContact O-N 3.48Å; L160-F163 PolarHBondContact O-N 3.03Å |
| 161 | N | 94.3 | Very high | 93.4 | Very high | 133 Ų | 133 | 64.3 Ų | 64.3 | 71% | 0.711 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -68.8 | -18.1 | 179.1 | -62.7 | 6.1 | 0 | 0 | 0 | 113.3 | H159 | H159-N161 VanDerWaalsContact C-N 3.26Å; H159-N161 PolarHBondContact O-N 2.97Å |
| 162 | C | 93.9 | Very high | 93.4 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -94.6 | -11 | 178.2 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | C137 R139 C140 H159 L160 T164 | C137-C162 VanDerWaalsContact SG-CB 3.56Å; R139-C162 HydrophobicContact CB-CB 3.95Å; R139-C162 WeakPolarHBondContact CD-O 3.42Å; R139-C162 HydrophobicContact CG-CB 4.13Å; C140-C162 VanDerWaalsContact SG-SG 3.62Å; H159-C162 HydrophobicContact CB-CB 4Å; H159-C162 CarbonylContact O-C 3.58Å; H159-C162 WeakPolarHBondContact O-CA 3.49Å; H159-C162 WeakPolarHBondContact O-CB 3.2Å; H159-C162 PolarHBondContact O-N 3.08Å; L160-C162 PolarHBondContact O-N 3.48Å; C162-T164 PolarHBondContact O-N 3.28Å |
| 163 | F | 95.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | trans | -83.1 | 67.3 | 177.9 | -160.1 | -109.5 | 0 | 0 | 0 | 110.3 | M151 A153 Y158 H159 L160 L172 F178 V185 | M151-F163 HydrophobicContact CB-CB 3.94Å; M151-F163 HydrophobicContact CB-CD1 4.11Å; M151-F163 HydrophobicContact CB-CD2 3.81Å; M151-F163 HydrophobicContact CB-CE2 4.36Å; M151-F163 HydrophobicContact CB-CG 3.68Å; M151-F163 HydrophobicContact CG-CB 3.88Å; M151-F163 HydrophobicContact CG-CD1 3.86Å; M151-F163 HydrophobicContact CG-CD2 4.44Å; M151-F163 HydrophobicContact CG-CG 3.8Å; M151-F163 HydrophobicContact SD-CD1 4.2Å; M151-F163 HydrophobicContact SD-CE1 4.47Å; A153-F163 HydrophobicContact CB-CE2 3.84Å; A153-F163 HydrophobicContact CB-CZ 4.17Å; Y158-F163 HydrophobicContact CD1-CD2 4.46Å; Y158-F163 AromaticContact CD2-CD2 3.84Å; Y158-F163 HydrophobicContact CD2-CD2 3.84Å; Y158-F163 HydrophobicContact CD2-CE2 4.12Å; Y158-F163 HydrophobicContact CE2-CD2 4.42Å; Y158-F163 HydrophobicContact CE2-CE2 4.35Å; Y158-F163 AromaticContact CG-CD2 3.87Å; Y158-F163 HydrophobicContact CG-CD2 3.87Å; H159-F163 PolarHBondContact O-N 3.13Å; L160-F163 PolarHBondContact O-N 3.03Å; F163-L172 HydrophobicContact CD1-CB 3.75Å; F163-L172 HydrophobicContact CE1-CB 3.89Å; F163-L172 HydrophobicContact CE1-CD1 4.42Å; F163-L172 PolarHBondContact O-N 2.93Å; F163-F178 HydrophobicContact CE1-CD1 4.25Å; F163-F178 HydrophobicContact CE1-CE1 4.31Å; F163-F178 HydrophobicContact CE1-CG 4.43Å; F163-F178 HydrophobicContact CZ-CD1 4.2Å; F163-F178 HydrophobicContact CZ-CD2 4.01Å; F163-F178 AromaticContact CZ-CE1 4Å; F163-F178 HydrophobicContact CZ-CE1 4Å; F163-F178 AromaticContact CZ-CE2 3.81Å; F163-F178 HydrophobicContact CZ-CE2 3.81Å; F163-F178 HydrophobicContact CZ-CG 4.21Å; F163-F178 AromaticContact CZ-CZ 3.81Å; F163-F178 HydrophobicContact CZ-CZ 3.81Å; F163-V185 HydrophobicContact CD2-CG1 4.48Å; F163-V185 HydrophobicContact CD2-CG2 4.18Å; F163-V185 HydrophobicContact CE1-CG1 4.36Å; F163-V185 HydrophobicContact CE2-CB 4.48Å; F163-V185 HydrophobicContact CE2-CG1 3.97Å; F163-V185 HydrophobicContact CE2-CG2 3.71Å; F163-V185 HydrophobicContact CZ-CG1 3.9Å; F163-V185 HydrophobicContact CZ-CG2 4.39Å | ||
| 164 | T | 95.7 | Very high | 93.5 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 13% | 0.129 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -116.8 | 147.2 | -175 | 53 | 0 | 0 | 0 | 0 | 111.2 | R139 C162 T166 K170 M171 | R139-T164 PolarHBondContact NH1-O 3.32Å; R139-T164 VanDerWaalsContact NH1-O 3.1Å; C162-T164 PolarHBondContact O-N 3.28Å; T164-T166 PolarHBondContact O-N 3.45Å; T164-K170 CarbonylContact C-O 3.6Å; T164-K170 WeakPolarHBondContact CA-O 3.15Å; T164-M171 HydrophobicContact CG2-CB 4.01Å; T164-M171 HydrophobicContact CG2-CG 4.4Å |
| 165 | C | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -63.5 | 130 | 173.7 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | T167 C168 S169 K170 V185 C187 | C165-T167 VanDerWaalsContact C-N 3.31Å; C165-T167 PolarHBondContact O-N 3.1Å; C165-C168 VanDerWaalsContact SG-SG 3.66Å; C165-S169 WeakPolarHBondContact O-CA 3.46Å; C165-S169 PolarHBondContact O-N 3.47Å; C165-K170 PolarHBondContact N-O 3.27Å; C165-V185 CarbonylContact C-O 3.53Å; C165-V185 WeakPolarHBondContact CA-O 3.42Å; C165-C187 HydrophobicContact CB-CB 4.07Å; C165-C187 PolarHBondContact SG-N 3.27Å | ||
| 166 | T | 94.7 | Very high | 93.7 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 31% | 0.307 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -35.1 | 179.5 | -58.2 | 0 | 0 | 0 | 0 | 113.4 | R139 T164 V185 | R139-T166 PolarHBondContact NH1-OG1 2.95Å; T164-T166 PolarHBondContact O-N 3.45Å; T166-V185 PolarHBondContact N-O 3.5Å; T166-V185 PolarHBondContact OG1-O 3.05Å |
| 167 | T | 94.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 58.2 Ų | 58.2 | 53% | 0.534 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -40.3 | -177.2 | -45 | 0 | 0 | 0 | 0 | 114.1 | C165 Y186 H190 | C165-T167 VanDerWaalsContact C-N 3.31Å; C165-T167 PolarHBondContact O-N 3.1Å; T167-Y186 WeakPolarHBondContact OG1-CD1 3.5Å; T167-H190 HydrophobicContact CG2-CB 4.3Å |
| 168 | C | 94.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 62 Ų | 62 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 4.9 | -173.5 | 67.4 | 0 | 0 | 0 | 0 | 115.2 | C165 K170 H190 | C165-C168 VanDerWaalsContact SG-SG 3.66Å; C168-K170 PolarHBondContact O-N 3.23Å; C168-H190 VanDerWaalsContact CB-CE1 3.4Å; C168-H190 WeakPolarHBondContact CB-CE1 3.38Å; C168-H190 PolarHBondContact SG-CE1 3.48Å; C168-H190 PolarHBondContact SG-ND1 3.39Å |
| 169 | S | 94.3 | Very high | 93.9 | Very high | 83 Ų | 83 | 62.1 Ų | 62.1 | 58% | 0.58 | 36% | 0.359 | S | S | * | . | trans | 55.8 | 9.6 | -177.4 | -60 | 0 | 0 | 0 | 0 | 115.7 | C165 M171 | C165-S169 WeakPolarHBondContact O-CA 3.46Å; C165-S169 PolarHBondContact O-N 3.47Å; S169-M171 PolarHBondContact O-N 3.1Å | ||
| 170 | K | 93.6 | Very high | 93.8 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | trans | -59.4 | 121.8 | 174.8 | -174.9 | -164.3 | 167 | -162.8 | 0 | 109.2 | T164 C165 C168 D176 | T164-K170 CarbonylContact C-O 3.6Å; T164-K170 WeakPolarHBondContact CA-O 3.15Å; C165-K170 PolarHBondContact N-O 3.27Å; C168-K170 PolarHBondContact O-N 3.23Å; K170-D176 IonicContact NZ-OD1 3.58Å; K170-D176 PolarHBondContact NZ-OD1 3.11Å | ||
| 171 | M | 94.3 | Very high | 93.8 | Very high | 94 Ų | 94 | 61.8 Ų | 61.8 | 46% | 0.463 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -66.5 | 131.7 | 169.4 | -170.4 | 172 | 66.8 | 0 | 0 | 110.1 | T164 S169 | T164-M171 HydrophobicContact CG2-CB 4.01Å; T164-M171 HydrophobicContact CG2-CG 4.4Å; S169-M171 PolarHBondContact O-N 3.1Å |
| 172 | L | 93.5 | Very high | 93.5 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | trans | -104.5 | 138.8 | -177.9 | -63.4 | 162.5 | 0 | 0 | 0 | 108.9 | F163 D176 F178 V185 C187 | F163-L172 HydrophobicContact CD1-CB 3.75Å; F163-L172 HydrophobicContact CE1-CB 3.89Å; F163-L172 HydrophobicContact CE1-CD1 4.42Å; F163-L172 PolarHBondContact O-N 2.93Å; L172-D176 HydrophobicContact CB-CB 4.42Å; L172-D176 HydrophobicContact CD2-CB 3.94Å; L172-F178 HydrophobicContact CD1-CB 3.8Å; L172-V185 HydrophobicContact CD1-CG1 3.64Å; L172-C187 HydrophobicContact CD2-CB 3.87Å | ||
| 173 | T | 93.4 | Very high | 93.1 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | trans | -125.5 | 166.1 | -173.9 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | G175 D176 | T173-G175 PolarHBondContact O-N 3.38Å; T173-D176 PolarHBondContact N-OD2 3.48Å; T173-D176 WeakPolarHBondContact O-CB 3.19Å; T173-D176 PolarHBondContact O-N 2.79Å; T173-D176 PolarHBondContact OG1-OD2 3.12Å | ||
| 174 | T | 91.2 | Very high | 92.9 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 80% | 0.804 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 113.3 | 178.9 | -48.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 175 | G | 91.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 65.7 Ų | 65.7 | 71% | 0.711 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.4 | -17.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T173 | T173-G175 PolarHBondContact O-N 3.38Š|
| 176 | D | 93.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 67 Ų | 67 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | trans | -69.9 | 139.5 | 168.4 | -77.4 | -70.5 | 0 | 0 | 0 | 110.5 | K170 L172 T173 | K170-D176 IonicContact NZ-OD1 3.58Å; K170-D176 PolarHBondContact NZ-OD1 3.11Å; L172-D176 HydrophobicContact CB-CB 4.42Å; L172-D176 HydrophobicContact CD2-CB 3.94Å; T173-D176 PolarHBondContact N-OD2 3.48Å; T173-D176 WeakPolarHBondContact O-CB 3.19Å; T173-D176 PolarHBondContact O-N 2.79Å; T173-D176 PolarHBondContact OG1-OD2 3.12Å | ||
| 177 | H | 93.4 | Very high | 92.9 | Very high | 135 Ų | 135 | 65.2 Ų | 65.2 | 63% | 0.625 | 37% | 0.373 | S | S | * | . | trans | -85.1 | 130.3 | 172.3 | -65.5 | 54.7 | 0 | 0 | 0 | 109.7 | R188 | H177-R188 HydrophobicContact CB-CB 4.07Å; H177-R188 PolarHBondContact O-N 3.06Å | ||
| 178 | F | 94.8 | Very high | 92.8 | Very high | 90 Ų | 90 | 68.3 Ų | 68.3 | 40% | 0.395 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161.8 | -179 | 77 | -88.5 | 0 | 0 | 0 | 110.6 | A153 F163 L172 V185 Y186 | A153-F178 HydrophobicContact CB-CE2 4.09Å; A153-F178 HydrophobicContact CB-CZ 4.04Å; F163-F178 HydrophobicContact CE1-CD1 4.25Å; F163-F178 HydrophobicContact CE1-CE1 4.31Å; F163-F178 HydrophobicContact CE1-CG 4.43Å; F163-F178 HydrophobicContact CZ-CD1 4.2Å; F163-F178 HydrophobicContact CZ-CD2 4.01Å; F163-F178 AromaticContact CZ-CE1 4Å; F163-F178 HydrophobicContact CZ-CE1 4Å; F163-F178 AromaticContact CZ-CE2 3.81Å; F163-F178 HydrophobicContact CZ-CE2 3.81Å; F163-F178 HydrophobicContact CZ-CG 4.21Å; F163-F178 AromaticContact CZ-CZ 3.81Å; F163-F178 HydrophobicContact CZ-CZ 3.81Å; L172-F178 HydrophobicContact CD1-CB 3.8Å; F178-V185 HydrophobicContact CD2-CG1 4.06Å; F178-Y186 CarbonylContact C-O 3.54Å; F178-Y186 VanDerWaalsContact CA-O 3.25Å; F178-Y186 WeakPolarHBondContact CA-O 3.49Å; F178-Y186 VanDerWaalsContact CB-O 3.31Å; F178-Y186 WeakPolarHBondContact CB-O 3.33Å |
| 179 | G | 92.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 71 Ų | 71 | 6% | 0.062 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 165 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y186 | G179-Y186 PolarHBondContact N-O 3.46Å; G179-Y186 PolarHBondContact O-N 2.76Å |
| 180 | M | 93.4 | Very high | 92.9 | Very high | 14 Ų | 14 | 69.3 Ų | 69.3 | 7% | 0.069 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 124.6 | -177.4 | 179.7 | -174.6 | -85.3 | 0 | 0 | 110.6 | A153 R154 Y158 L184 V185 | A153-M180 HydrophobicContact CB-CE 3.51Å; R154-M180 HydrophobicContact CG-SD 4.15Å; R154-M180 PolarHBondContact NH2-O 3.39Å; Y158-M180 HydrophobicContact CE2-CE 4.09Å; Y158-M180 WeakPolarHBondContact OH-CE 3.45Å; M180-L184 VanDerWaalsContact CA-O 3.28Å; M180-L184 WeakPolarHBondContact CA-O 3.44Å; M180-L184 WeakPolarHBondContact CG-O 3.2Å; M180-V185 HydrophobicContact CE-CG2 3.81Å |
| 181 | K | 91.3 | Very high | 92.9 | Very high | 68 Ų | 68 | 67.2 Ų | 67.2 | 30% | 0.296 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137 | 173.9 | -159.7 | -159.3 | 172.6 | -159.3 | 0 | 107.9 | S183 L184 Y186 F191 L194 E198 | K181-S183 PolarHBondContact O-N 3.1Å; K181-S183 VanDerWaalsContact O-N 3.12Å; K181-L184 PolarHBondContact N-O 3.17Å; K181-L184 VanDerWaalsContact N-O 3.14Å; K181-L184 WeakPolarHBondContact O-CA 3.28Å; K181-L184 WeakPolarHBondContact O-CB 3.31Å; K181-L184 PolarHBondContact O-N 3.41Å; K181-Y186 HydrophobicContact CB-CE2 4.3Å; K181-F191 HydrophobicContact CB-CE2 4.37Å; K181-L194 HydrophobicContact CB-CD2 4.3Å; K181-L194 HydrophobicContact CD-CD2 4Å; K181-E198 WeakPolarHBondContact CE-OE1 3.2Å; K181-E198 IonicContact NZ-OE1 3.74Å; K181-E198 PolarHBondContact NZ-OE1 2.88Å; K181-E198 IonicContact NZ-OE2 3.21Å |
| 182 | D | 87.7 | Confident | 92.8 | Very high | 115 Ų | 115 | 66.9 Ų | 66.9 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 42 | 174.3 | -46.6 | -37.3 | 0 | 0 | 0 | 113.8 | L184 | D182-L184 PolarHBondContact O-N 3.23Š|
| 183 | S | 86.6 | Confident | 92.7 | Very high | 72 Ų | 72 | 70.5 Ų | 70.5 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 1.3 | -175 | -55.7 | 0 | 0 | 0 | 0 | 116.2 | L156 Y158 K181 | L156-S183 VanDerWaalsContact CD1-CB 3.5Å; Y158-S183 PolarHBondContact OH-O 3.46Å; K181-S183 PolarHBondContact O-N 3.1Å; K181-S183 VanDerWaalsContact O-N 3.12Å |
| 184 | L | 91.7 | Very high | 92.5 | Very high | 75 Ų | 75 | 69.4 Ų | 69.4 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 138 | 176 | -61.3 | 175.8 | 0 | 0 | 0 | 111.1 | M180 K181 D182 Y186 | M180-L184 VanDerWaalsContact CA-O 3.28Å; M180-L184 WeakPolarHBondContact CA-O 3.44Å; M180-L184 WeakPolarHBondContact CG-O 3.2Å; K181-L184 PolarHBondContact N-O 3.17Å; K181-L184 VanDerWaalsContact N-O 3.14Å; K181-L184 WeakPolarHBondContact O-CA 3.28Å; K181-L184 WeakPolarHBondContact O-CB 3.31Å; K181-L184 PolarHBondContact O-N 3.41Å; D182-L184 PolarHBondContact O-N 3.23Å; L184-Y186 HydrophobicContact CB-CE2 3.62Å; L184-Y186 WeakPolarHBondContact CD1-OH 3.49Å; L184-Y186 WeakPolarHBondContact O-CD2 3.22Å; L184-Y186 WeakPolarHBondContact O-CE2 3.15Å |
| 185 | V | 94.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.1 | -178 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | Y158 F163 C165 T166 L172 F178 M180 | Y158-V185 HydrophobicContact CE1-CG2 4.29Å; Y158-V185 HydrophobicContact CE2-CG2 4.47Å; F163-V185 HydrophobicContact CD2-CG1 4.48Å; F163-V185 HydrophobicContact CD2-CG2 4.18Å; F163-V185 HydrophobicContact CE1-CG1 4.36Å; F163-V185 HydrophobicContact CE2-CB 4.48Å; F163-V185 HydrophobicContact CE2-CG1 3.97Å; F163-V185 HydrophobicContact CE2-CG2 3.71Å; F163-V185 HydrophobicContact CZ-CG1 3.9Å; F163-V185 HydrophobicContact CZ-CG2 4.39Å; C165-V185 CarbonylContact C-O 3.53Å; C165-V185 WeakPolarHBondContact CA-O 3.42Å; T166-V185 PolarHBondContact N-O 3.5Å; T166-V185 PolarHBondContact OG1-O 3.05Å; L172-V185 HydrophobicContact CD1-CG1 3.64Å; F178-V185 HydrophobicContact CD2-CG1 4.06Å; M180-V185 HydrophobicContact CE-CG2 3.81Å |
| 186 | Y | 94.9 | Very high | 91.8 | Very high | 26 Ų | 26 | 69.4 Ų | 69.4 | 10% | 0.102 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.6 | 179 | -61.3 | -91.5 | 0 | 0 | 0 | 110.3 | T167 F178 G179 K181 L184 H190 F191 L194 | T167-Y186 WeakPolarHBondContact OG1-CD1 3.5Å; F178-Y186 CarbonylContact C-O 3.54Å; F178-Y186 VanDerWaalsContact CA-O 3.25Å; F178-Y186 WeakPolarHBondContact CA-O 3.49Å; F178-Y186 VanDerWaalsContact CB-O 3.31Å; F178-Y186 WeakPolarHBondContact CB-O 3.33Å; G179-Y186 PolarHBondContact N-O 3.46Å; G179-Y186 PolarHBondContact O-N 2.76Å; K181-Y186 HydrophobicContact CB-CE2 4.3Å; L184-Y186 HydrophobicContact CB-CE2 3.62Å; L184-Y186 WeakPolarHBondContact CD1-OH 3.49Å; L184-Y186 WeakPolarHBondContact O-CD2 3.22Å; L184-Y186 WeakPolarHBondContact O-CE2 3.15Å; Y186-H190 HydrophobicContact CD1-CB 4.47Å; Y186-F191 HydrophobicContact CD2-CD2 4.27Å; Y186-F191 HydrophobicContact CG-CD2 4.48Å; Y186-L194 HydrophobicContact CD2-CD2 4.36Å; Y186-L194 HydrophobicContact CE1-CD2 4.24Å; Y186-L194 HydrophobicContact CE2-CD2 3.98Å |
| 187 | C | 95.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 9% | 0.088 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 156.1 | 168 | 71.5 | 0 | 0 | 0 | 0 | 109.6 | C165 L172 L189 H190 F191 | C165-C187 HydrophobicContact CB-CB 4.07Å; C165-C187 PolarHBondContact SG-N 3.27Å; L172-C187 HydrophobicContact CD2-CB 3.87Å; C187-L189 PolarHBondContact O-N 3.04Å; C187-L189 VanDerWaalsContact O-N 3.08Å; C187-H190 PolarHBondContact O-N 3.47Å; C187-H190 VanDerWaalsContact O-N 3.11Å; C187-H190 PolarHBondContact SG-ND1 3.01Å; C187-F191 PolarHBondContact O-N 3.46Å |
| 188 | R | 93.9 | Very high | 88.6 | Confident | 152 Ų | 152 | 68 Ų | 68 | 57% | 0.574 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -40.9 | -50.5 | -179.4 | 176.8 | 178.1 | 170.1 | 170.7 | -0.3 | 113.8 | H177 F191 E192 | H177-R188 HydrophobicContact CB-CB 4.07Å; H177-R188 PolarHBondContact O-N 3.06Å; R188-F191 PolarHBondContact O-N 3.5Å; R188-E192 IonicContact NE-OE2 3.81Å; R188-E192 VanDerWaalsContact O-CB 3.28Å; R188-E192 WeakPolarHBondContact O-CB 3.36Å; R188-E192 PolarHBondContact O-N 3.39Å |
| 189 | L | 94.7 | Very high | 86.6 | Confident | 114 Ų | 114 | 73.6 Ų | 73.6 | 60% | 0.597 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.4 | -53.7 | -177.4 | -176.7 | 65.5 | 0 | 0 | 0 | 112.3 | C187 F191 E192 T193 | C187-L189 PolarHBondContact O-N 3.04Å; C187-L189 VanDerWaalsContact O-N 3.08Å; L189-F191 VanDerWaalsContact C-N 3.33Å; L189-F191 PolarHBondContact O-N 3.49Å; L189-E192 PolarHBondContact O-N 3.34Å; L189-T193 PolarHBondContact O-N 2.86Å; L189-T193 PolarHBondContact O-OG1 3.29Å |
| 190 | H | 95.1 | Very high | 84.6 | Confident | 48 Ų | 48 | 81.4 Ų | 81.4 | 22% | 0.222 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -73 | -26.1 | -178.1 | -61 | 126.3 | 0 | 0 | 0 | 113.2 | T167 C168 Y186 C187 L194 | T167-H190 HydrophobicContact CG2-CB 4.3Å; C168-H190 VanDerWaalsContact CB-CE1 3.4Å; C168-H190 WeakPolarHBondContact CB-CE1 3.38Å; C168-H190 PolarHBondContact SG-CE1 3.48Å; C168-H190 PolarHBondContact SG-ND1 3.39Å; Y186-H190 HydrophobicContact CD1-CB 4.47Å; C187-H190 PolarHBondContact O-N 3.47Å; C187-H190 VanDerWaalsContact O-N 3.11Å; C187-H190 PolarHBondContact SG-ND1 3.01Å; H190-L194 VanDerWaalsContact O-CB 3.3Å; H190-L194 WeakPolarHBondContact O-CB 3.29Å; H190-L194 PolarHBondContact O-N 3.01Å |
| 191 | F | 94.4 | Very high | 82.4 | Confident | 56 Ų | 56 | 85.5 Ų | 85.5 | 25% | 0.246 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.9 | -41.6 | 172.3 | -169.4 | -115 | 0 | 0 | 0 | 111.7 | K181 Y186 C187 R188 L189 L194 I195 | K181-F191 HydrophobicContact CB-CE2 4.37Å; Y186-F191 HydrophobicContact CD2-CD2 4.27Å; Y186-F191 HydrophobicContact CG-CD2 4.48Å; C187-F191 PolarHBondContact O-N 3.46Å; R188-F191 PolarHBondContact O-N 3.5Å; L189-F191 VanDerWaalsContact C-N 3.33Å; L189-F191 PolarHBondContact O-N 3.49Å; F191-L194 PolarHBondContact O-N 3.31Å; F191-I195 HydrophobicContact CD1-CD1 3.81Å; F191-I195 HydrophobicContact CE1-CD1 3.43Å; F191-I195 VanDerWaalsContact CE1-CD1 3.43Å; F191-I195 HydrophobicContact CE2-CD1 4.35Å; F191-I195 HydrophobicContact CG-CD1 4.44Å; F191-I195 HydrophobicContact CZ-CD1 3.73Å; F191-I195 WeakPolarHBondContact O-CG1 3.33Å; F191-I195 PolarHBondContact O-N 3.01Å; F191-I195 VanDerWaalsContact O-N 3.07Å |
| 192 | E | 92.4 | Very high | 80.5 | Confident | 87 Ų | 87 | 90 Ų | 90 | 41% | 0.407 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 176.3 | -173.4 | 165.1 | -178.1 | 0 | 0 | 111.2 | R188 L189 L194 I195 Q196 | R188-E192 IonicContact NE-OE2 3.81Å; R188-E192 VanDerWaalsContact O-CB 3.28Å; R188-E192 WeakPolarHBondContact O-CB 3.36Å; R188-E192 PolarHBondContact O-N 3.39Å; L189-E192 PolarHBondContact O-N 3.34Å; E192-L194 PolarHBondContact O-N 2.78Å; E192-I195 PolarHBondContact O-N 3.38Å; E192-Q196 WeakPolarHBondContact O-CB 3.41Å; E192-Q196 VanDerWaalsContact O-CG 3.26Å; E192-Q196 WeakPolarHBondContact O-CG 3.41Å; E192-Q196 PolarHBondContact O-N 3.3Å |
| 193 | T | 91.8 | Very high | 78.3 | Confident | 80 Ų | 80 | 94.6 Ų | 94.6 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 171.6 | -49.5 | 0 | 0 | 0 | 0 | 112.8 | L189 Q196 G197 | L189-T193 PolarHBondContact O-N 2.86Å; L189-T193 PolarHBondContact O-OG1 3.29Å; T193-Q196 PolarHBondContact O-N 3.3Å; T193-G197 PolarHBondContact O-N 2.88Å; T193-G197 VanDerWaalsContact O-N 3.12Å |
| 194 | L | 88.5 | Confident | 76.1 | Confident | 55 Ų | 55 | 99.3 Ų | 99.3 | 29% | 0.288 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 179.7 | -174.1 | 68 | 0 | 0 | 0 | 111.6 | K181 Y186 H190 F191 E192 G197 | K181-L194 HydrophobicContact CB-CD2 4.3Å; K181-L194 HydrophobicContact CD-CD2 4Å; Y186-L194 HydrophobicContact CD2-CD2 4.36Å; Y186-L194 HydrophobicContact CE1-CD2 4.24Å; Y186-L194 HydrophobicContact CE2-CD2 3.98Å; H190-L194 VanDerWaalsContact O-CB 3.3Å; H190-L194 WeakPolarHBondContact O-CB 3.29Å; H190-L194 PolarHBondContact O-N 3.01Å; F191-L194 PolarHBondContact O-N 3.31Å; E192-L194 PolarHBondContact O-N 2.78Å; L194-G197 PolarHBondContact O-N 2.89Å |
| 195 | I | 87 | Confident | 74 | Confident | 84 Ų | 84 | 104.5 Ų | 104.5 | 43% | 0.431 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 177.6 | -67 | 170.1 | 0 | 0 | 0 | 111.4 | F191 E192 G197 E198 | F191-I195 HydrophobicContact CD1-CD1 3.81Å; F191-I195 HydrophobicContact CE1-CD1 3.43Å; F191-I195 VanDerWaalsContact CE1-CD1 3.43Å; F191-I195 HydrophobicContact CE2-CD1 4.35Å; F191-I195 HydrophobicContact CG-CD1 4.44Å; F191-I195 HydrophobicContact CZ-CD1 3.73Å; F191-I195 WeakPolarHBondContact O-CG1 3.33Å; F191-I195 PolarHBondContact O-N 3.01Å; F191-I195 VanDerWaalsContact O-N 3.07Å; E192-I195 PolarHBondContact O-N 3.38Å; I195-G197 VanDerWaalsContact C-N 3.28Å; I195-G197 PolarHBondContact O-N 3.27Å; I195-E198 PolarHBondContact O-N 3.26Å |
| 196 | Q | 80.2 | Confident | 71.5 | Confident | 116 Ų | 116 | 108.2 Ų | 108.2 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63 | -34.4 | 177.9 | -74.1 | 170.6 | 7.5 | 0 | 0 | 112.4 | E192 T193 E198 Y199 | E192-Q196 WeakPolarHBondContact O-CB 3.41Å; E192-Q196 VanDerWaalsContact O-CG 3.26Å; E192-Q196 WeakPolarHBondContact O-CG 3.41Å; E192-Q196 PolarHBondContact O-N 3.3Å; T193-Q196 PolarHBondContact O-N 3.3Å; Q196-E198 VanDerWaalsContact C-N 3.33Å; Q196-E198 PolarHBondContact O-N 2.81Å; Q196-Y199 PolarHBondContact O-N 3.25Å |
| 197 | G | 64.3 | Low | 69 | Low | 48 Ų | 48 | 114.1 Ų | 114.1 | 50% | 0.495 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.2 | -29.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T193 L194 I195 Y199 | T193-G197 PolarHBondContact O-N 2.88Å; T193-G197 VanDerWaalsContact O-N 3.12Å; L194-G197 PolarHBondContact O-N 2.89Å; I195-G197 VanDerWaalsContact C-N 3.28Å; I195-G197 PolarHBondContact O-N 3.27Å; G197-Y199 VanDerWaalsContact C-N 3.34Å |
| 198 | E | 56.4 | Low | 66.6 | Low | 106 Ų | 106 | 120.7 Ų | 120.7 | 50% | 0.495 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -79.3 | -16.3 | 179.7 | -69 | -179.5 | 174.9 | 0 | 0 | 113.2 | K181 I195 Q196 | K181-E198 WeakPolarHBondContact CE-OE1 3.2Å; K181-E198 IonicContact NZ-OE1 3.74Å; K181-E198 PolarHBondContact NZ-OE1 2.88Å; K181-E198 IonicContact NZ-OE2 3.21Å; I195-E198 PolarHBondContact O-N 3.26Å; Q196-E198 VanDerWaalsContact C-N 3.33Å; Q196-E198 PolarHBondContact O-N 2.81Å |
| 199 | Y | 52.4 | Low | 64 | Low | 209 Ų | 209 | 119.8 Ų | 119.8 | 82% | 0.82 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -1.2 | -179.1 | -137.2 | -92.4 | 0 | 0 | 0 | 114.3 | Q196 G197 | Q196-Y199 PolarHBondContact O-N 3.25Å; G197-Y199 VanDerWaalsContact C-N 3.34Å |
| 200 | Q | 49.7 | Very low | 61.5 | Low | 170 Ų | 170 | 118.3 Ų | 118.3 | 79% | 0.794 | 63% | 0.627 | S | S | * | * | trans | -99.3 | 15.2 | -172.1 | -98.3 | -169.2 | -14.6 | 0 | 0 | 115.8 | ||||
| 201 | T | 47.3 | Very low | 59 | Low | 100 Ų | 100 | 125.2 Ų | 125.2 | 61% | 0.613 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -89.8 | -9.5 | -174.2 | 47.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 202 | H | 50.9 | Low | 56.4 | Low | 163 Ų | 163 | 132.9 Ų | 132.9 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -137.3 | 33.3 | -171.5 | -73.9 | -69.4 | 0 | 0 | 0 | 117.6 | ||
| 203 | F | 42 | Very low | 53.6 | Low | 210 Ų | 210 | 132.6 Ų | 132.6 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | trans | -131 | 80.4 | 159.1 | -77.8 | -75.6 | 0 | 0 | 0 | 110.8 | ||||
| 204 | N | 40.2 | Very low | 50.9 | Low | 172 Ų | 172 | 137.7 Ų | 137.7 | 92% | 0.92 | 74% | 0.736 | S | S | * | * | trans | -79.6 | 154.8 | 172.5 | -118.6 | -34.4 | 0 | 0 | 0 | 111.3 | ||||
| 205 | H | 48.3 | Very low | 48.2 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | -119.5 | 111.8 | -157.7 | 168 | -60.1 | 0 | 0 | 0 | 112.3 | ||||
| 206 | A | 42.8 | Very low | 46.4 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | trans | 175.6 | 137.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 207 | D | 41.5 | Very low | 44.4 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | cis | -146.5 | 138.9 | 8.5 | -65.9 | -73.1 | 0 | 0 | 0 | 110.1 | ||||
| 208 | V | 44.6 | Very low | 43 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -151.2 | 131.6 | 140.1 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 209 | V | 39.1 | Very low | 42.4 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | trans | -80.7 | 152.4 | -177.5 | 172.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 210 | A | 42.7 | Very low | 41.8 | Very low | 84 Ų | 84 | 142.9 Ų | 142.9 | 69% | 0.694 | 82% | 0.822 | S | S | * | * | trans | -44.4 | 145.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 211 | H | 42.8 | Very low | 41 | Very low | 193 Ų | 193 | 137.6 Ų | 137.6 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -136.5 | 143.5 | 146.2 | -90.7 | -84.1 | 0 | 0 | 0 | 111.6 | ||||
| 212 | K | 38.7 | Very low | 40.5 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -70.2 | 142.8 | 177 | -66.7 | 173.7 | 174.6 | 176.1 | 0 | 111.1 | ||||
| 213 | G | 33.8 | Very low | 39.8 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -165 | 138.8 | 170 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 214 | L | 35.6 | Very low | 39.4 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 98% | 0.984 | 82% | 0.819 | S | S | * | * | trans | -88.2 | 156.5 | -177.7 | -64.1 | 116.9 | 0 | 0 | 0 | 112.7 | ||||
| 215 | G | 31.9 | Very low | 39 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 112.6 | 156.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 216 | P | 49.1 | Very low | 38.5 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -116.6 | 160.9 | -150.6 | 40.2 | -29.4 | 0 | 0 | 0 | 116.3 | ||||
| 217 | A | 39.3 | Very low | 38.1 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | 24.9 | 113.4 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 218 | N | 33.6 | Very low | 37.7 | Very low | 171 Ų | 171 | 136 Ų | 136 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | -160.9 | 160.7 | 116 | -128.1 | -16.4 | 0 | 0 | 0 | 113.4 | |||||
| 219 | A | 45.3 | Very low | 37.2 | Very low | 84 Ų | 84 | 132 Ų | 132 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | -97.8 | 127.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 220 | L | 38.2 | Very low | 36.8 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 94% | 0.937 | 80% | 0.8 | S | S | * | * | trans | -154 | 142.8 | 157 | -64.1 | 177.6 | 0 | 0 | 0 | 105.5 | ||||
| 221 | G | 32.9 | Very low | 36.5 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 81% | 0.808 | S | S | * | * | cis | 143.3 | 142.6 | 1.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 222 | L | 37.3 | Very low | 36.2 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | 71.1 | 150.9 | 170.5 | -55.4 | 114.1 | 0 | 0 | 0 | 115.8 | ||||
| 223 | S | 36.8 | Very low | 36 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 58% | 0.58 | 80% | 0.802 | S | S | * | * | cis | -164.9 | 157.8 | -8.9 | -114.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 224 | Y | 32.8 | Very low | 35.8 | Very low | 242 Ų | 242 | 133.2 Ų | 133.2 | 95% | 0.949 | 80% | 0.798 | S | S | * | * | -160.9 | 140.7 | 119.3 | -102.3 | -70.1 | 0 | 0 | 0 | 109.8 | |||||
| 225 | F | 32.3 | Very low | 35.8 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 74% | 0.737 | 80% | 0.795 | S | S | * | * | trans | -136.8 | 142.5 | -169.6 | 175.3 | -85.3 | 0 | 0 | 0 | 110.3 | ||||
| 226 | N | 36.9 | Very low | 36.3 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -170.3 | 135 | 152.7 | -103.5 | -7.8 | 0 | 0 | 0 | 108.7 | ||||
| 227 | G | 34.9 | Very low | 35.8 | Very low | 44 Ų | 44 | 144 Ų | 144 | 45% | 0.454 | 80% | 0.803 | S | S | . | * | cis | 145.6 | 76.2 | -11.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 228 | V | 33.9 | Very low | 35.6 | Very low | 156 Ų | 156 | 148.9 Ų | 148.9 | 95% | 0.945 | 81% | 0.806 | S | S | * | * | trans | 178.4 | 145.6 | 154.9 | -91.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 229 | G | 32.8 | Very low | 35.8 | Very low | 67 Ų | 67 | 152.4 Ų | 152.4 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | cis | 128.9 | 124.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 230 | T | 32.1 | Very low | 35.4 | Very low | 137 Ų | 137 | 157.4 Ų | 157.4 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | cis | -156.9 | 167.3 | -8.4 | 69.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 231 | V | 34.7 | Very low | 35.3 | Very low | 144 Ų | 144 | 153.8 Ų | 153.8 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | -175.5 | 144.9 | 140.8 | 142.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 232 | Q | 36.6 | Very low | 35.8 | Very low | 170 Ų | 170 | 156.8 Ų | 156.8 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -108.8 | 146.5 | -173 | -76.7 | -86.4 | -4.2 | 0 | 0 | 113.2 | ||||
| 233 | K | 34.5 | Very low | 36 | Very low | 209 Ų | 209 | 151.6 Ų | 151.6 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | 165.1 | 123.1 | 121.8 | -90.8 | 167.5 | -177.7 | 177.3 | 0 | 112.9 | |||||
| 234 | G | 30 | Very low | 36.6 | Very low | 72 Ų | 72 | 154.5 Ų | 154.5 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -177.3 | 100.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 235 | R | 35.8 | Very low | 37.4 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -69.8 | 122.8 | -172.3 | -178.2 | -176.7 | -174.1 | -179 | 4.1 | 113.3 | R237 | R235-R237 PolarHBondContact O-N 3.26Š| ||
| 236 | P | 42.5 | Very low | 38.2 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -67.3 | 126.7 | 173.6 | -20.1 | 32.9 | 0 | 0 | 0 | 112.1 | K238 | P236-K238 PolarHBondContact O-N 3.41Š| ||
| 237 | R | 39.4 | Very low | 38.4 | Very low | 243 Ų | 243 | 142.7 Ų | 142.7 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -83.3 | 111.9 | 177.3 | -153.9 | 176.3 | -163.3 | 176.8 | 5.4 | 109.8 | R235 R239 | R235-R237 PolarHBondContact O-N 3.26Å; R237-R239 PolarHBondContact O-N 3.25Å | ||
| 238 | K | 35 | Very low | 39 | Very low | 200 Ų | 200 | 146.7 Ų | 146.7 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -50.7 | 105.6 | 179.3 | -173.7 | 172.4 | -175.7 | 170.9 | 0 | 111.6 | P236 K240 | P236-K238 PolarHBondContact O-N 3.41Å; K238-K240 PolarHBondContact O-N 3.13Å | ||
| 239 | R | 36.3 | Very low | 39.9 | Very low | 244 Ų | 244 | 143.1 Ų | 143.1 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 119.6 | 168.8 | -99.4 | -175.7 | 163.3 | -140.8 | -3.6 | 109 | R237 | R237-R239 PolarHBondContact O-N 3.25Š|
| 240 | K | 36.9 | Very low | 40.6 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 123.6 | 169.5 | -171.3 | 80.5 | 161.6 | -179.2 | 0 | 107.6 | K238 | K238-K240 PolarHBondContact O-N 3.13Š|
| 241 | S | 36.4 | Very low | 41.4 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67 | 132.1 | 166.7 | 30 | 0 | 0 | 0 | 0 | 109.7 | ||
| 242 | P | 43.2 | Very low | 42.2 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 135.4 | 164.1 | -13.4 | 29.6 | 0 | 0 | 0 | 109.6 | ||
| 243 | G | 43.3 | Very low | 43.1 | Very low | 58 Ų | 58 | 136.3 Ų | 136.3 | 60% | 0.598 | 75% | 0.75 | S | S | * | * | trans | -77.4 | 177.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 244 | P | 48.8 | Very low | 43.8 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 94% | 0.935 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -67.5 | 132.4 | 177.7 | 29.9 | -33.9 | 0 | 0 | 0 | 110.2 | ||
| 245 | G | 49.3 | Very low | 44.5 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 151.8 | -12.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 246 | A | 48.3 | Very low | 45.2 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -83.8 | -1.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 247 | E | 41 | Very low | 44.9 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -82.9 | -27.3 | -179.6 | -86.3 | -177.9 | 115.7 | 0 | 0 | 114.2 | A249 A250 | E247-A249 VanDerWaalsContact C-N 3.25Å; E247-A249 PolarHBondContact O-N 2.86Å; E247-A250 PolarHBondContact O-N 2.87Å; E247-A250 VanDerWaalsContact O-N 3.1Å |
| 248 | L | 48.2 | Very low | 44.9 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -70.8 | -19.5 | -172.9 | -159 | 68.6 | 0 | 0 | 0 | 113.7 | Y251 | L248-Y251 HydrophobicContact CD1-CD1 3.94Å; L248-Y251 HydrophobicContact CD1-CE1 3.61Å; L248-Y251 HydrophobicContact CG-CD1 4.45Å; L248-Y251 HydrophobicContact CG-CE1 4.15Å; L248-Y251 VanDerWaalsContact O-CD1 3.28Å; L248-Y251 WeakPolarHBondContact O-CD1 3.34Å |
| 249 | A | 52.4 | Low | 44.9 | Very low | 82 Ų | 82 | 122 Ų | 122 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -86.2 | -18.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E247 | E247-A249 VanDerWaalsContact C-N 3.25Å; E247-A249 PolarHBondContact O-N 2.86Å |
| 250 | A | 48.2 | Very low | 44.8 | Very low | 66 Ų | 66 | 117 Ų | 117 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -83.6 | -33.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E247 A253 | E247-A250 PolarHBondContact O-N 2.87Å; E247-A250 VanDerWaalsContact O-N 3.1Å; A250-A253 PolarHBondContact O-N 2.86Å |
| 251 | Y | 48.1 | Very low | 44.8 | Very low | 131 Ų | 131 | 115 Ų | 115 | 51% | 0.514 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -69.8 | -37.7 | -177.5 | 101.7 | -94.1 | 0 | 0 | 0 | 112.8 | L248 A253 A254 | L248-Y251 HydrophobicContact CD1-CD1 3.94Å; L248-Y251 HydrophobicContact CD1-CE1 3.61Å; L248-Y251 HydrophobicContact CG-CD1 4.45Å; L248-Y251 HydrophobicContact CG-CE1 4.15Å; L248-Y251 VanDerWaalsContact O-CD1 3.28Å; L248-Y251 WeakPolarHBondContact O-CD1 3.34Å; Y251-A253 VanDerWaalsContact C-N 3.26Å; Y251-A253 PolarHBondContact O-N 3.42Å; Y251-A254 PolarHBondContact O-N 3.34Å |
| 252 | N | 53 | Low | 44.7 | Very low | 92 Ų | 92 | 113.9 Ų | 113.9 | 49% | 0.492 | 72% | 0.722 | S | S | . | * | G | 310 helix | trans | -69.1 | -21.1 | 177.4 | -79.4 | -57.4 | 0 | 0 | 0 | 113.6 | A254 | N252-A254 VanDerWaalsContact C-N 3.3Å; N252-A254 PolarHBondContact O-N 3.15Å |
| 253 | A | 54.9 | Low | 44.5 | Very low | 85 Ų | 85 | 117.2 Ų | 117.2 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -82 | -6.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A250 Y251 | A250-A253 PolarHBondContact O-N 2.86Å; Y251-A253 VanDerWaalsContact C-N 3.26Å; Y251-A253 PolarHBondContact O-N 3.42Å |
| 254 | A | 48.5 | Very low | 44.2 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -94.8 | -3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y251 N252 | Y251-A254 PolarHBondContact O-N 3.34Å; N252-A254 VanDerWaalsContact C-N 3.3Å; N252-A254 PolarHBondContact O-N 3.15Å |
| 255 | L | 45.7 | Very low | 44 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -117.7 | 35.5 | -172.5 | -65.5 | 176.1 | 0 | 0 | 0 | 113.6 | ||
| 256 | S | 49.9 | Very low | 43.4 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | -139.4 | 61.6 | 176.6 | -69.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 257 | C | 36.1 | Very low | 42.8 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -165 | 93.3 | 147.7 | 49 | 0 | 0 | 0 | 0 | 111.2 | ||
| 258 | N | 39.1 | Very low | 42.4 | Very low | 156 Ų | 156 | 125.1 Ų | 125.1 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | 163.2 | 119.9 | 120.1 | -159.3 | 69 | 0 | 0 | 0 | 109.2 | |||||
| 259 | E | 35.3 | Very low | 41.7 | Very low | 183 Ų | 183 | 123.4 Ų | 123.4 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | trans | -84.5 | 154.9 | 170.6 | -73.5 | 174.8 | 94 | 0 | 0 | 111 | ||||
| 260 | N | 34.7 | Very low | 40.8 | Very low | 138 Ų | 138 | 128 Ų | 128 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | 97.1 | 112 | 155.5 | -132.7 | 67.8 | 0 | 0 | 0 | 121 | ||||
| 261 | D | 36.3 | Very low | 40.1 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | 57.6 | 127.3 | 151.7 | -71 | -43.7 | 0 | 0 | 0 | 123.4 | ||||
| 262 | G | 34.1 | Very low | 39.3 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | 157.5 | 111.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 263 | E | 38.9 | Very low | 38.5 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | trans | -75.4 | 159.9 | -173.9 | -167.9 | -168.9 | 89.3 | 0 | 0 | 115.5 | ||||
| 264 | S | 38 | Very low | 37.5 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | 99.2 | 94 | 147 | -143.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 265 | I | 43.3 | Very low | 37.2 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | 50.2 | 129.6 | 120.5 | -71.6 | 170 | 0 | 0 | 0 | 123.2 | |||||
| 266 | D | 37.5 | Very low | 37.2 | Very low | 133 Ų | 133 | 144 Ų | 144 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 82.8 | 114.8 | 151.6 | -96.7 | -57.2 | 0 | 0 | 0 | 125.7 | ||||
| 267 | R | 36 | Very low | 37.1 | Very low | 206 Ų | 206 | 145 Ų | 145 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | 73.4 | 126.5 | 127 | -100.9 | -178.5 | 110.6 | 166.6 | 6.3 | 127.6 | |||||
| 268 | D | 31.4 | Very low | 37.9 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | trans | 86.1 | 135.9 | 132.6 | -121.4 | -59.9 | 0 | 0 | 0 | 122.4 | ||||
| 269 | S | 34 | Very low | 38.4 | Very low | 91 Ų | 91 | 152.5 Ų | 152.5 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | 31.6 | 126.3 | 159.8 | -65 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 270 | Q | 32.9 | Very low | 39.3 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | -179.9 | 142.6 | 99.8 | -159.3 | 73.2 | -4 | 0 | 0 | 112.2 | |||||
| 271 | Y | 35.1 | Very low | 41.2 | Very low | 220 Ų | 220 | 156.8 Ų | 156.8 | 86% | 0.863 | 80% | 0.795 | S | S | * | * | trans | -60.8 | 133.4 | 173.9 | -176.5 | -91.7 | 0 | 0 | 0 | 113.6 | ||||
| 272 | S | 30.9 | Very low | 43 | Very low | 118 Ų | 118 | 155.5 Ų | 155.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -149.7 | 145.5 | 165.8 | -163.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 273 | S | 35.4 | Very low | 45.5 | Very low | 95 Ų | 95 | 157.3 Ų | 157.3 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -75.1 | 129.4 | -166.3 | 177.9 | 0 | 0 | 0 | 0 | 113.9 | Q275 | S273-Q275 PolarHBondContact O-N 3.01Š| ||
| 274 | S | 33.9 | Very low | 48.1 | Very low | 118 Ų | 118 | 151 Ų | 151 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -77.9 | 84.2 | -179.8 | -161.5 | 0 | 0 | 0 | 0 | 112.6 | K276 | S274-K276 PolarHBondContact O-N 3.28Š| ||
| 275 | Q | 42.8 | Very low | 50.7 | Low | 171 Ų | 171 | 154.4 Ų | 154.4 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -74.7 | 118.2 | 163.9 | -66.8 | -167.2 | 8.9 | 0 | 0 | 110.1 | S273 T277 | S273-Q275 PolarHBondContact O-N 3.01Å; Q275-T277 PolarHBondContact O-N 3.36Å | ||
| 276 | K | 45.7 | Very low | 53.2 | Low | 205 Ų | 205 | 153.7 Ų | 153.7 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | trans | -64.1 | 107.1 | 177.4 | -75.5 | 178.9 | 178 | 171.8 | 0 | 110.9 | S274 K278 | S274-K276 PolarHBondContact O-N 3.28Å; K276-K278 PolarHBondContact O-N 3.44Å | ||
| 277 | T | 47.4 | Very low | 55.9 | Low | 132 Ų | 132 | 152.6 Ų | 152.6 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -64.6 | 115.8 | -179.7 | 48.5 | 0 | 0 | 0 | 0 | 111.5 | Q275 R279 | Q275-T277 PolarHBondContact O-N 3.36Å; T277-R279 PolarHBondContact O-N 3.16Å; T277-R279 VanDerWaalsContact O-N 3.1Å | ||
| 278 | K | 52.3 | Low | 58.7 | Low | 198 Ų | 198 | 144.2 Ų | 144.2 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -69 | 106.1 | 173.8 | -175.4 | 177.6 | -177.4 | 178 | 0 | 108.5 | K276 M280 | K276-K278 PolarHBondContact O-N 3.44Å; K278-M280 PolarHBondContact O-N 2.85Å | ||
| 279 | R | 51.1 | Low | 61.8 | Low | 241 Ų | 241 | 141.3 Ų | 141.3 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -49 | 116.3 | -179.7 | -80.2 | -170.2 | -94.6 | -158.5 | -6.5 | 110.9 | T277 R281 | T277-R279 PolarHBondContact O-N 3.16Å; T277-R279 VanDerWaalsContact O-N 3.1Å; R279-R281 PolarHBondContact O-N 2.77Å |
| 280 | M | 52.9 | Low | 64.7 | Low | 176 Ų | 176 | 144.6 Ų | 144.6 | 87% | 0.867 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 134.6 | 176.7 | -71.1 | -101.5 | 79.7 | 0 | 0 | 109.7 | K278 T282 | K278-M280 PolarHBondContact O-N 2.85Å; M280-T282 PolarHBondContact O-N 3.37Å |
| 281 | R | 74.9 | Confident | 67.7 | Low | 234 Ų | 234 | 137.4 Ų | 137.4 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 125.6 | 173.6 | -167 | -177.8 | -166.5 | -175.3 | 6.6 | 108.7 | R279 S283 | R279-R281 PolarHBondContact O-N 2.77Å; R281-S283 PolarHBondContact O-N 3.12Å |
| 282 | T | 74.9 | Confident | 70.7 | Confident | 123 Ų | 123 | 127 Ų | 127 | 76% | 0.755 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 130.4 | 172.1 | 47.1 | 0 | 0 | 0 | 0 | 110.3 | M280 | M280-T282 PolarHBondContact O-N 3.37Š|
| 283 | S | 86 | Confident | 73.8 | Confident | 116 Ų | 116 | 127.6 Ų | 127.6 | 81% | 0.811 | 62% | 0.617 | S | S | * | * | trans | -104.8 | 144.4 | 178.4 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | R281 | R281-S283 PolarHBondContact O-N 3.12Š| ||
| 284 | F | 93.9 | Very high | 76.7 | Confident | 60 Ų | 60 | 126.6 Ų | 126.6 | 26% | 0.263 | 61% | 0.61 | S | S | . | * | trans | -86.2 | 138.9 | 177.2 | -62.5 | -67.3 | 0 | 0 | 0 | 110.5 | L289 M292 L316 V320 W324 | F284-L289 HydrophobicContact CB-CD1 4.23Å; F284-L289 HydrophobicContact CB-CD2 3.8Å; F284-L289 HydrophobicContact CB-CG 3.72Å; F284-L289 HydrophobicContact CD2-CD2 4.04Å; F284-L289 HydrophobicContact CG-CD2 4.21Å; F284-M292 HydrophobicContact CD1-CE 4.27Å; F284-M292 HydrophobicContact CG-CE 4.23Å; F284-L316 HydrophobicContact CD1-CD1 3.74Å; F284-L316 HydrophobicContact CD1-CD2 4.07Å; F284-L316 HydrophobicContact CE1-CD1 3.8Å; F284-L316 HydrophobicContact CE1-CD2 4.11Å; F284-V320 HydrophobicContact CE1-CG1 3.5Å; F284-V320 VanDerWaalsContact CE1-CG1 3.5Å; F284-V320 HydrophobicContact CZ-CG1 3.82Å; F284-W324 AromaticContact CE2-CD1 3.74Å | ||
| 285 | K | 92.7 | Very high | 79.6 | Confident | 164 Ų | 164 | 123.5 Ų | 123.5 | 71% | 0.713 | 58% | 0.58 | S | S | * | * | trans | -65.4 | 149.3 | 172.1 | -67.1 | -174.4 | 176.9 | -177.2 | 0 | 110.2 | H287 Q288 L289 | K285-H287 VanDerWaalsContact C-N 3.3Å; K285-H287 PolarHBondContact O-N 3.36Å; K285-Q288 HydrophobicContact CB-CG 4.23Å; K285-Q288 WeakPolarHBondContact O-CB 3.35Å; K285-Q288 PolarHBondContact O-N 3Å; K285-L289 PolarHBondContact O-N 3.26Å; K285-L289 VanDerWaalsContact O-N 3.16Å | ||
| 286 | H | 94.7 | Very high | 82.1 | Confident | 137 Ų | 137 | 116.7 Ų | 116.7 | 63% | 0.634 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -53.7 | -42.7 | -176.9 | -172.1 | 55.2 | 0 | 0 | 0 | 113.6 | Q288 L289 R290 | H286-Q288 PolarHBondContact O-N 3.37Å; H286-L289 PolarHBondContact O-N 3.36Å; H286-R290 PolarHBondContact O-N 3.07Å |
| 287 | H | 95.1 | Very high | 84.4 | Confident | 110 Ų | 110 | 110.9 Ų | 110.9 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.6 | -45.4 | 174.9 | 175.8 | 82 | 0 | 0 | 0 | 112.4 | K285 L289 R290 T291 | K285-H287 VanDerWaalsContact C-N 3.3Å; K285-H287 PolarHBondContact O-N 3.36Å; H287-L289 VanDerWaalsContact C-N 3.34Å; H287-L289 PolarHBondContact O-N 3.43Å; H287-R290 PolarHBondContact O-N 2.77Å; H287-T291 PolarHBondContact O-N 3.12Å; H287-T291 PolarHBondContact O-OG1 2.94Å; H287-T291 VanDerWaalsContact O-OG1 3.14Å |
| 288 | Q | 94.8 | Very high | 86.5 | Confident | 30 Ų | 30 | 111.3 Ų | 111.3 | 14% | 0.14 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 179.4 | -59.5 | 172.2 | -37.9 | 0 | 0 | 110.9 | K285 H286 T291 M292 T314 L316 | K285-Q288 HydrophobicContact CB-CG 4.23Å; K285-Q288 WeakPolarHBondContact O-CB 3.35Å; K285-Q288 PolarHBondContact O-N 3Å; H286-Q288 PolarHBondContact O-N 3.37Å; Q288-T291 PolarHBondContact O-N 2.77Å; Q288-M292 HydrophobicContact CB-CE 4.33Å; Q288-M292 WeakPolarHBondContact O-CB 3.46Å; Q288-M292 WeakPolarHBondContact O-CE 3.4Å; Q288-M292 WeakPolarHBondContact O-CG 3.46Å; Q288-M292 PolarHBondContact O-N 2.94Å; Q288-T314 WeakPolarHBondContact CG-O 3.38Å; Q288-T314 PolarHBondContact NE2-O 3.25Å; Q288-L316 HydrophobicContact CB-CD1 4.16Å; Q288-L316 HydrophobicContact CG-CD1 4.45Å |
| 289 | L | 96.2 | Very high | 88.4 | Confident | 49 Ų | 49 | 104.3 Ų | 104.3 | 26% | 0.257 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 176.2 | -69.9 | 172.6 | 0 | 0 | 0 | 112.5 | F284 K285 H286 H287 M292 K293 | F284-L289 HydrophobicContact CB-CD1 4.23Å; F284-L289 HydrophobicContact CB-CD2 3.8Å; F284-L289 HydrophobicContact CB-CG 3.72Å; F284-L289 HydrophobicContact CD2-CD2 4.04Å; F284-L289 HydrophobicContact CG-CD2 4.21Å; K285-L289 PolarHBondContact O-N 3.26Å; K285-L289 VanDerWaalsContact O-N 3.16Å; H286-L289 PolarHBondContact O-N 3.36Å; H287-L289 VanDerWaalsContact C-N 3.34Å; H287-L289 PolarHBondContact O-N 3.43Å; L289-M292 HydrophobicContact CD2-CE 4.03Å; L289-K293 VanDerWaalsContact O-CB 3.29Å; L289-K293 WeakPolarHBondContact O-CB 3.37Å; L289-K293 VanDerWaalsContact O-CG 3.24Å; L289-K293 WeakPolarHBondContact O-CG 3.36Å; L289-K293 PolarHBondContact O-N 3.2Å |
| 290 | R | 96.1 | Very high | 90.4 | Very high | 160 Ų | 160 | 96 Ų | 96 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.7 | -49.2 | 176.6 | -174.5 | -177.1 | -73.5 | 167.8 | -6.6 | 110.9 | H286 H287 K293 S294 | H286-R290 PolarHBondContact O-N 3.07Å; H287-R290 PolarHBondContact O-N 2.77Å; R290-K293 PolarHBondContact O-N 2.86Å; R290-S294 VanDerWaalsContact O-CB 3.31Å; R290-S294 WeakPolarHBondContact O-CB 3.38Å; R290-S294 PolarHBondContact O-N 3.18Å |
| 291 | T | 95.3 | Very high | 92.3 | Very high | 29 Ų | 29 | 92.6 Ų | 92.6 | 18% | 0.178 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 179.3 | -57.7 | 0 | 0 | 0 | 0 | 112 | H287 Q288 Y295 L310 K313 T314 | H287-T291 PolarHBondContact O-N 3.12Å; H287-T291 PolarHBondContact O-OG1 2.94Å; H287-T291 VanDerWaalsContact O-OG1 3.14Å; Q288-T291 PolarHBondContact O-N 2.77Å; T291-Y295 PolarHBondContact O-N 2.91Å; T291-Y295 VanDerWaalsContact O-N 3.13Å; T291-L310 HydrophobicContact CG2-CD2 4.13Å; T291-K313 HydrophobicContact CG2-CB 4.38Å; T291-T314 HydrophobicContact CG2-CG2 3.88Å |
| 292 | M | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.9 | -70.3 | -174.5 | -69.7 | 0 | 0 | 112.9 | F284 Q288 L289 F296 T314 L316 L321 W324 | F284-M292 HydrophobicContact CD1-CE 4.27Å; F284-M292 HydrophobicContact CG-CE 4.23Å; Q288-M292 HydrophobicContact CB-CE 4.33Å; Q288-M292 WeakPolarHBondContact O-CB 3.46Å; Q288-M292 WeakPolarHBondContact O-CE 3.4Å; Q288-M292 WeakPolarHBondContact O-CG 3.46Å; Q288-M292 PolarHBondContact O-N 2.94Å; L289-M292 HydrophobicContact CD2-CE 4.03Å; M292-F296 WeakPolarHBondContact O-CB 3.37Å; M292-F296 PolarHBondContact O-N 2.84Å; M292-T314 HydrophobicContact CG-CG2 4.42Å; M292-L316 HydrophobicContact CE-CD1 3.94Å; M292-L316 HydrophobicContact SD-CD1 3.96Å; M292-L321 HydrophobicContact CG-CD2 3.88Å; M292-L321 HydrophobicContact SD-CD2 3.43Å; M292-L321 WeakPolarHBondContact SD-CD2 3.24Å; M292-W324 HydrophobicContact CB-CD2 4.14Å; M292-W324 HydrophobicContact CB-CE3 3.98Å; M292-W324 HydrophobicContact CB-CH2 3.72Å; M292-W324 HydrophobicContact CB-CZ2 3.84Å; M292-W324 HydrophobicContact CB-CZ3 3.78Å; M292-W324 HydrophobicContact CE-CD2 4.21Å; M292-W324 HydrophobicContact CE-CG 4.11Å; M292-W324 HydrophobicContact CG-CD2 4.48Å; M292-W324 HydrophobicContact CG-CE3 4.48Å; M292-W324 HydrophobicContact SD-CB 4.13Å; M292-W324 HydrophobicContact SD-CD2 3.65Å; M292-W324 HydrophobicContact SD-CE3 4.11Å; M292-W324 HydrophobicContact SD-CG 3.63Å |
| 293 | K | 95.9 | Very high | 94.1 | Very high | 132 Ų | 132 | 80.4 Ų | 80.4 | 57% | 0.574 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.7 | -41.2 | 177.2 | -75 | 176.8 | 178 | -176.9 | 0 | 112.6 | L289 R290 Y295 F296 A297 W324 | L289-K293 VanDerWaalsContact O-CB 3.29Å; L289-K293 WeakPolarHBondContact O-CB 3.37Å; L289-K293 VanDerWaalsContact O-CG 3.24Å; L289-K293 WeakPolarHBondContact O-CG 3.36Å; L289-K293 PolarHBondContact O-N 3.2Å; R290-K293 PolarHBondContact O-N 2.86Å; K293-Y295 VanDerWaalsContact C-N 3.34Å; K293-F296 PolarHBondContact O-N 3.45Å; K293-A297 PolarHBondContact O-N 3.39Å; K293-W324 HydrophobicContact CG-CH2 4.14Å; K293-W324 HydrophobicContact CG-CZ2 4.08Å |
| 294 | S | 96.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 77.9 Ų | 77.9 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 177.2 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | R290 A297 | R290-S294 VanDerWaalsContact O-CB 3.31Å; R290-S294 WeakPolarHBondContact O-CB 3.38Å; R290-S294 PolarHBondContact O-N 3.18Å; S294-A297 PolarHBondContact O-N 3.42Å |
| 295 | Y | 95.6 | Very high | 94.5 | Very high | 52 Ų | 52 | 82 Ų | 82 | 20% | 0.204 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 174.3 | -167.2 | -83.2 | 0 | 0 | 0 | 112.3 | T291 K293 A297 I298 N299 P302 D306 L310 F325 | T291-Y295 PolarHBondContact O-N 2.91Å; T291-Y295 VanDerWaalsContact O-N 3.13Å; K293-Y295 VanDerWaalsContact C-N 3.34Å; Y295-A297 PolarHBondContact O-N 2.93Å; Y295-I298 PolarHBondContact O-N 3.03Å; Y295-N299 HydrophobicContact CE1-CB 3.69Å; Y295-N299 PolarHBondContact O-N 2.93Å; Y295-N299 PolarHBondContact OH-ND2 2.97Å; Y295-P302 HydrophobicContact CD1-CB 4.42Å; Y295-P302 HydrophobicContact CE1-CB 3.76Å; Y295-D306 PolarHBondContact OH-OD1 3.47Å; Y295-D306 VanDerWaalsContact OH-OD1 3.1Å; Y295-D306 PolarHBondContact OH-OD2 3.49Å; Y295-L310 HydrophobicContact CD1-CD1 3.94Å; Y295-L310 HydrophobicContact CD2-CD1 4.34Å; Y295-L310 HydrophobicContact CD2-CD2 4.32Å; Y295-L310 HydrophobicContact CE1-CD1 4.4Å; Y295-L310 HydrophobicContact CG-CD1 3.93Å; Y295-L310 HydrophobicContact CG-CD2 4.16Å; Y295-L310 HydrophobicContact CG-CG 4.49Å; Y295-F325 AromaticContact CD1-CE1 3.97Å; Y295-F325 HydrophobicContact CD1-CE1 3.97Å; Y295-F325 AromaticContact CD1-CZ 3.85Å; Y295-F325 HydrophobicContact CD1-CZ 3.85Å |
| 296 | F | 96.2 | Very high | 94.6 | Very high | 29 Ų | 29 | 75.6 Ų | 75.6 | 13% | 0.127 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.3 | -25.4 | 177.2 | -167.4 | -87 | 0 | 0 | 0 | 113.1 | M292 K293 I298 H300 W324 F325 A328 R329 F332 | M292-F296 WeakPolarHBondContact O-CB 3.37Å; M292-F296 PolarHBondContact O-N 2.84Å; K293-F296 PolarHBondContact O-N 3.45Å; F296-I298 PolarHBondContact O-N 3.24Å; F296-H300 AromaticContact CE1-CD2 3.73Å; F296-H300 AromaticContact CE1-NE2 3.73Å; F296-H300 HydrophobicContact CE2-CB 4.28Å; F296-H300 HydrophobicContact CZ-CB 4.32Å; F296-H300 AromaticContact CZ-CD2 3.92Å; F296-H300 AromaticContact CZ-CG 3.91Å; F296-H300 PolarHBondContact O-CD2 2.76Å; F296-H300 PolarHBondContact O-NE2 3.49Å; F296-W324 HydrophobicContact CB-CH2 4.27Å; F296-W324 HydrophobicContact CB-CZ3 4.16Å; F296-W324 HydrophobicContact CD2-CZ3 4.16Å; F296-W324 HydrophobicContact CG-CZ3 4.42Å; F296-F325 HydrophobicContact CB-CE1 4.08Å; F296-F325 AromaticContact CD2-CD1 3.67Å; F296-F325 HydrophobicContact CD2-CD1 3.67Å; F296-F325 AromaticContact CD2-CE1 3.78Å; F296-F325 HydrophobicContact CD2-CE1 3.78Å; F296-F325 HydrophobicContact CE2-CD1 4.32Å; F296-F325 HydrophobicContact CG-CE1 4.44Å; F296-A328 HydrophobicContact CD2-CB 3.79Å; F296-A328 HydrophobicContact CE2-CB 3.47Å; F296-A328 VanDerWaalsContact CE2-CB 3.47Å; F296-A328 HydrophobicContact CZ-CB 3.96Å; F296-R329 HydrophobicContact CE2-CG 3.88Å; F296-R329 HydrophobicContact CZ-CG 4.2Å; F296-F332 HydrophobicContact CZ-CB 4.34Å |
| 297 | A | 93.6 | Very high | 94.6 | Very high | 83 Ų | 83 | 69.6 Ų | 69.6 | 69% | 0.686 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K293 S294 Y295 | K293-A297 PolarHBondContact O-N 3.39Å; S294-A297 PolarHBondContact O-N 3.42Å; Y295-A297 PolarHBondContact O-N 2.93Å |
| 298 | I | 92.1 | Very high | 94.6 | Very high | 141 Ų | 141 | 71.7 Ų | 71.7 | 72% | 0.723 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -43.2 | -176.9 | -54.8 | 169.2 | 0 | 0 | 0 | 110.6 | Y295 F296 | Y295-I298 PolarHBondContact O-N 3.03Å; F296-I298 PolarHBondContact O-N 3.24Å |
| 299 | N | 91.9 | Very high | 94.7 | Very high | 51 Ų | 51 | 74.2 Ų | 74.2 | 27% | 0.273 | 38% | 0.381 | S | S | . | . | trans | -142 | 119.3 | 179.5 | 179.3 | 9.3 | 0 | 0 | 0 | 111.7 | Y295 N301 | Y295-N299 HydrophobicContact CE1-CB 3.69Å; Y295-N299 PolarHBondContact O-N 2.93Å; Y295-N299 PolarHBondContact OH-ND2 2.97Å; N299-N301 PolarHBondContact ND2-O 3.22Å; N299-N301 VanDerWaalsContact ND2-O 3.12Å; N299-N301 VanDerWaalsContact OD1-C 3.25Å; N299-N301 WeakPolarHBondContact OD1-CA 3.29Å; N299-N301 PolarHBondContact OD1-N 3.2Å; N299-N301 PolarHBondContact OD1-O 3.12Å | ||
| 300 | H | 92.4 | Very high | 94.6 | Very high | 65 Ų | 65 | 72.2 Ų | 72.2 | 30% | 0.301 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -76.3 | -25.5 | 178.7 | -67.1 | -174.1 | 0 | 0 | 0 | 112.5 | F296 P302 R329 F332 | F296-H300 AromaticContact CE1-CD2 3.73Å; F296-H300 AromaticContact CE1-NE2 3.73Å; F296-H300 HydrophobicContact CE2-CB 4.28Å; F296-H300 HydrophobicContact CZ-CB 4.32Å; F296-H300 AromaticContact CZ-CD2 3.92Å; F296-H300 AromaticContact CZ-CG 3.91Å; F296-H300 PolarHBondContact O-CD2 2.76Å; F296-H300 PolarHBondContact O-NE2 3.49Å; H300-P302 WeakPolarHBondContact O-CD 3.41Å; H300-R329 HydrophobicContact CB-CG 4.37Å; H300-R329 VanDerWaalsContact O-CD 3.3Å; H300-R329 WeakPolarHBondContact O-CD 3.42Å; H300-R329 PolarHBondContact O-NH1 2.86Å; H300-F332 AromaticContact CE1-CD1 3.96Å; H300-F332 AromaticContact CE1-CE1 3.64Å; H300-F332 AromaticContact CE1-CE2 3.94Å; H300-F332 AromaticContact CE1-CZ 3.64Å; H300-F332 AromaticContact ND1-CD1 3.98Å; H300-F332 AromaticContact ND1-CE1 3.9Å |
| 301 | N | 93.3 | Very high | 94.7 | Very high | 106 Ų | 106 | 65.7 Ų | 65.7 | 57% | 0.567 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -118.4 | 74.8 | -177.2 | -83.3 | 34.1 | 0 | 0 | 0 | 110.6 | N299 D303 R329 | N299-N301 PolarHBondContact ND2-O 3.22Å; N299-N301 VanDerWaalsContact ND2-O 3.12Å; N299-N301 VanDerWaalsContact OD1-C 3.25Å; N299-N301 WeakPolarHBondContact OD1-CA 3.29Å; N299-N301 PolarHBondContact OD1-N 3.2Å; N299-N301 PolarHBondContact OD1-O 3.12Å; N301-D303 PolarHBondContact O-N 3.44Å; N301-R329 WeakPolarHBondContact OD1-CD 3.27Å; N301-R329 PolarHBondContact OD1-NE 2.96Å; N301-R329 PolarHBondContact OD1-NH1 3.13Å |
| 302 | P | 92.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | trans | -59.6 | 135.5 | 173.8 | 25.3 | -35 | 0 | 0 | 0 | 111.1 | Y295 H300 D306 L307 L310 F325 | Y295-P302 HydrophobicContact CD1-CB 4.42Å; Y295-P302 HydrophobicContact CE1-CB 3.76Å; H300-P302 WeakPolarHBondContact O-CD 3.41Å; P302-D306 HydrophobicContact CB-CB 3.71Å; P302-L307 HydrophobicContact CB-CG 4.35Å; P302-L307 HydrophobicContact CG-CG 4.45Å; P302-L310 HydrophobicContact CB-CD1 4.44Å; P302-F325 VanDerWaalsContact CD-CD1 3.48Å; P302-F325 HydrophobicContact CG-CB 4.28Å; P302-F325 HydrophobicContact CG-CD1 3.57Å; P302-F325 HydrophobicContact CG-CD2 3.94Å; P302-F325 HydrophobicContact CG-CE1 3.82Å; P302-F325 HydrophobicContact CG-CE2 4.18Å; P302-F325 HydrophobicContact CG-CG 3.66Å; P302-F325 HydrophobicContact CG-CZ 4.12Å | ||
| 303 | D | 94.6 | Very high | 94.6 | Very high | 83 Ų | 83 | 78.5 Ų | 78.5 | 44% | 0.444 | 41% | 0.407 | S | S | . | . | trans | -79.8 | -171.7 | 178.7 | 88.4 | -11.5 | 0 | 0 | 0 | 112.2 | N301 K305 D306 L307 | N301-D303 PolarHBondContact O-N 3.44Å; D303-K305 VanDerWaalsContact C-N 3.32Å; D303-K305 PolarHBondContact O-N 2.94Å; D303-K305 VanDerWaalsContact OD1-CA 3.3Å; D303-K305 WeakPolarHBondContact OD1-CA 3.35Å; D303-K305 VanDerWaalsContact OD1-CB 3.29Å; D303-K305 WeakPolarHBondContact OD1-CB 3.46Å; D303-K305 PolarHBondContact OD1-N 3.44Å; D303-D306 PolarHBondContact N-OD2 3.08Å; D303-D306 WeakPolarHBondContact OD1-CB 3.33Å; D303-D306 VanDerWaalsContact OD1-CG 3.23Å; D303-D306 PolarHBondContact OD1-N 3.42Å; D303-L307 VanDerWaalsContact O-CB 3.27Å; D303-L307 WeakPolarHBondContact O-CB 3.24Å; D303-L307 WeakPolarHBondContact O-CD1 3.46Å; D303-L307 VanDerWaalsContact O-CG 3.29Å; D303-L307 WeakPolarHBondContact O-CG 3.22Å; D303-L307 PolarHBondContact O-N 2.97Å | ||
| 304 | A | 93.6 | Very high | 94.5 | Very high | 63 Ų | 63 | 72.7 Ų | 72.7 | 52% | 0.521 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.3 | -27.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K308 | A304-K308 PolarHBondContact O-N 3.34Å |
| 305 | K | 94.5 | Very high | 94.4 | Very high | 146 Ų | 146 | 72.4 Ų | 72.4 | 64% | 0.635 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -82.5 | -44.2 | 179.8 | -178.4 | -175.1 | 178 | -176.5 | 0 | 110.6 | D303 K308 Q309 | D303-K305 VanDerWaalsContact C-N 3.32Å; D303-K305 PolarHBondContact O-N 2.94Å; D303-K305 VanDerWaalsContact OD1-CA 3.3Å; D303-K305 WeakPolarHBondContact OD1-CA 3.35Å; D303-K305 VanDerWaalsContact OD1-CB 3.29Å; D303-K305 WeakPolarHBondContact OD1-CB 3.46Å; D303-K305 PolarHBondContact OD1-N 3.44Å; K305-K308 WeakPolarHBondContact O-CB 3.42Å; K305-K308 PolarHBondContact O-N 3.44Å; K305-K308 VanDerWaalsContact O-N 3.11Å; K305-Q309 PolarHBondContact O-N 2.89Å |
| 306 | D | 94.9 | Very high | 94.4 | Very high | 30 Ų | 30 | 71.1 Ų | 71.1 | 16% | 0.16 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.8 | -48 | 172.1 | -62.9 | -39.3 | 0 | 0 | 0 | 111 | Y295 P302 D303 K308 Q309 L310 | Y295-D306 PolarHBondContact OH-OD1 3.47Å; Y295-D306 VanDerWaalsContact OH-OD1 3.1Å; Y295-D306 PolarHBondContact OH-OD2 3.49Å; P302-D306 HydrophobicContact CB-CB 3.71Å; D303-D306 PolarHBondContact N-OD2 3.08Å; D303-D306 WeakPolarHBondContact OD1-CB 3.33Å; D303-D306 VanDerWaalsContact OD1-CG 3.23Å; D303-D306 PolarHBondContact OD1-N 3.42Å; D306-K308 PolarHBondContact O-N 3.49Å; D306-Q309 PolarHBondContact O-N 2.93Å; D306-L310 WeakPolarHBondContact O-CB 3.43Å; D306-L310 WeakPolarHBondContact O-CG 3.46Å; D306-L310 PolarHBondContact O-N 3.02Å |
| 307 | L | 95.3 | Very high | 94.4 | Very high | 12 Ų | 12 | 74.1 Ų | 74.1 | 6% | 0.063 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.2 | -33.4 | 175 | -82.7 | 165.9 | 0 | 0 | 0 | 112.6 | P302 D303 A311 K318 L321 Q322 | P302-L307 HydrophobicContact CB-CG 4.35Å; P302-L307 HydrophobicContact CG-CG 4.45Å; D303-L307 VanDerWaalsContact O-CB 3.27Å; D303-L307 WeakPolarHBondContact O-CB 3.24Å; D303-L307 WeakPolarHBondContact O-CD1 3.46Å; D303-L307 VanDerWaalsContact O-CG 3.29Å; D303-L307 WeakPolarHBondContact O-CG 3.22Å; D303-L307 PolarHBondContact O-N 2.97Å; L307-A311 VanDerWaalsContact O-CB 3.27Å; L307-A311 WeakPolarHBondContact O-CB 3.48Å; L307-A311 PolarHBondContact O-N 2.94Å; L307-K318 HydrophobicContact CB-CD 4.38Å; L307-K318 HydrophobicContact CB-CG 4.18Å; L307-L321 HydrophobicContact CD2-CB 3.71Å; L307-Q322 HydrophobicContact CD1-CG 3.71Å; L307-Q322 HydrophobicContact CD2-CG 3.97Å |
| 308 | K | 95.4 | Very high | 94.4 | Very high | 153 Ų | 153 | 74.4 Ų | 74.4 | 67% | 0.665 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.9 | -45.3 | 175.2 | -171.4 | 179.9 | 178.9 | -178 | 0 | 111.1 | A304 K305 D306 A311 Q312 | A304-K308 PolarHBondContact O-N 3.34Å; K305-K308 WeakPolarHBondContact O-CB 3.42Å; K305-K308 PolarHBondContact O-N 3.44Å; K305-K308 VanDerWaalsContact O-N 3.11Å; D306-K308 PolarHBondContact O-N 3.49Å; K308-A311 PolarHBondContact O-N 3.46Å; K308-Q312 PolarHBondContact O-N 2.99Å |
| 309 | Q | 95.5 | Very high | 94.5 | Very high | 84 Ų | 84 | 76.9 Ų | 76.9 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.3 | -69.1 | -176.4 | 59 | 0 | 0 | 112.3 | K305 D306 Q312 K313 | K305-Q309 PolarHBondContact O-N 2.89Å; D306-Q309 PolarHBondContact O-N 2.93Å; Q309-Q312 PolarHBondContact O-N 3.16Å; Q309-K313 WeakPolarHBondContact O-CB 3.34Å; Q309-K313 WeakPolarHBondContact O-CG 3.41Å; Q309-K313 PolarHBondContact O-N 3.43Å |
| 310 | L | 95.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 77 Ų | 77 | 4% | 0.037 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 176.8 | -73.4 | 167.3 | 0 | 0 | 0 | 111.6 | T291 Y295 P302 D306 K313 T314 L321 F325 | T291-L310 HydrophobicContact CG2-CD2 4.13Å; Y295-L310 HydrophobicContact CD1-CD1 3.94Å; Y295-L310 HydrophobicContact CD2-CD1 4.34Å; Y295-L310 HydrophobicContact CD2-CD2 4.32Å; Y295-L310 HydrophobicContact CE1-CD1 4.4Å; Y295-L310 HydrophobicContact CG-CD1 3.93Å; Y295-L310 HydrophobicContact CG-CD2 4.16Å; Y295-L310 HydrophobicContact CG-CG 4.49Å; P302-L310 HydrophobicContact CB-CD1 4.44Å; D306-L310 WeakPolarHBondContact O-CB 3.43Å; D306-L310 WeakPolarHBondContact O-CG 3.46Å; D306-L310 PolarHBondContact O-N 3.02Å; L310-K313 PolarHBondContact O-N 2.99Å; L310-T314 WeakPolarHBondContact O-CB 3.35Å; L310-T314 WeakPolarHBondContact O-CG2 3.3Å; L310-T314 PolarHBondContact O-N 3.29Å; L310-T314 PolarHBondContact O-OG1 2.92Å; L310-L321 HydrophobicContact CB-CD1 3.74Å; L310-F325 HydrophobicContact CD1-CE2 3.84Å; L310-F325 HydrophobicContact CD1-CZ 3.87Å |
| 311 | A | 96.7 | Very high | 94.8 | Very high | 23 Ų | 23 | 74 Ų | 74 | 19% | 0.19 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.4 | -48 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L307 K308 K313 T314 G315 L316 L321 | L307-A311 VanDerWaalsContact O-CB 3.27Å; L307-A311 WeakPolarHBondContact O-CB 3.48Å; L307-A311 PolarHBondContact O-N 2.94Å; K308-A311 PolarHBondContact O-N 3.46Å; A311-K313 PolarHBondContact O-N 3.22Å; A311-T314 PolarHBondContact O-N 3.4Å; A311-G315 WeakPolarHBondContact O-CA 3.43Å; A311-G315 PolarHBondContact O-N 2.95Å; A311-L316 VanDerWaalsContact CA-O 3.3Å; A311-L316 WeakPolarHBondContact CA-O 3.46Å; A311-L316 VanDerWaalsContact CB-O 3.25Å; A311-L316 WeakPolarHBondContact CB-O 3.46Å; A311-L321 HydrophobicContact CB-CD1 3.93Å; A311-L321 VanDerWaalsContact N-CD1 3.27Å |
| 312 | Q | 96.1 | Very high | 94.9 | Very high | 164 Ų | 164 | 72.5 Ų | 72.5 | 77% | 0.766 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 176.8 | -172 | 176.6 | -5.6 | 0 | 0 | 112.5 | K308 Q309 | K308-Q312 PolarHBondContact O-N 2.99Å; Q309-Q312 PolarHBondContact O-N 3.16Å |
| 313 | K | 93.9 | Very high | 95.1 | Very high | 134 Ų | 134 | 74.8 Ų | 74.8 | 58% | 0.583 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -73.3 | -28.2 | 179.7 | -73.5 | 177.4 | 177.6 | 177.4 | 0 | 114.3 | T291 Q309 L310 A311 | T291-K313 HydrophobicContact CG2-CB 4.38Å; Q309-K313 WeakPolarHBondContact O-CB 3.34Å; Q309-K313 WeakPolarHBondContact O-CG 3.41Å; Q309-K313 PolarHBondContact O-N 3.43Å; L310-K313 PolarHBondContact O-N 2.99Å; A311-K313 PolarHBondContact O-N 3.22Å |
| 314 | T | 94.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 72.6 Ų | 72.6 | 6% | 0.055 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -106.1 | -14.2 | -174.8 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | Q288 T291 M292 L310 A311 L316 | Q288-T314 WeakPolarHBondContact CG-O 3.38Å; Q288-T314 PolarHBondContact NE2-O 3.25Å; T291-T314 HydrophobicContact CG2-CG2 3.88Å; M292-T314 HydrophobicContact CG-CG2 4.42Å; L310-T314 WeakPolarHBondContact O-CB 3.35Å; L310-T314 WeakPolarHBondContact O-CG2 3.3Å; L310-T314 PolarHBondContact O-N 3.29Å; L310-T314 PolarHBondContact O-OG1 2.92Å; A311-T314 PolarHBondContact O-N 3.4Å; T314-L316 PolarHBondContact O-N 3.48Å; T314-L316 WeakPolarHBondContact OG1-CB 2.98Å; T314-L316 PolarHBondContact OG1-N 3.09Å |
| 315 | G | 95.2 | Very high | 95.3 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 71% | 0.711 | 35% | 0.347 | S | S | * | . | trans | 66.8 | 13.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A311 | A311-G315 WeakPolarHBondContact O-CA 3.43Å; A311-G315 PolarHBondContact O-N 2.95Å | ||
| 316 | L | 95.3 | Very high | 95.4 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | trans | -94.9 | 143.7 | 178.8 | -62.4 | 176.6 | 0 | 0 | 0 | 110.7 | F284 Q288 M292 A311 T314 V320 L321 | F284-L316 HydrophobicContact CD1-CD1 3.74Å; F284-L316 HydrophobicContact CD1-CD2 4.07Å; F284-L316 HydrophobicContact CE1-CD1 3.8Å; F284-L316 HydrophobicContact CE1-CD2 4.11Å; Q288-L316 HydrophobicContact CB-CD1 4.16Å; Q288-L316 HydrophobicContact CG-CD1 4.45Å; M292-L316 HydrophobicContact CE-CD1 3.94Å; M292-L316 HydrophobicContact SD-CD1 3.96Å; A311-L316 VanDerWaalsContact CA-O 3.3Å; A311-L316 WeakPolarHBondContact CA-O 3.46Å; A311-L316 VanDerWaalsContact CB-O 3.25Å; A311-L316 WeakPolarHBondContact CB-O 3.46Å; T314-L316 PolarHBondContact O-N 3.48Å; T314-L316 WeakPolarHBondContact OG1-CB 2.98Å; T314-L316 PolarHBondContact OG1-N 3.09Å; L316-V320 HydrophobicContact CB-CG1 4.32Å; L316-V320 HydrophobicContact CD1-CG1 4.37Å; L316-V320 HydrophobicContact CD2-CG1 4.3Å; L316-L321 HydrophobicContact CB-CD2 4.04Å; L316-L321 HydrophobicContact CB-CG 4.04Å; L316-L321 HydrophobicContact CD1-CD2 3.92Å | ||
| 317 | T | 95.4 | Very high | 95.4 | Very high | 91 Ų | 91 | 71 Ų | 71 | 56% | 0.558 | 36% | 0.357 | S | S | * | . | trans | -66.5 | 149.7 | 176.9 | 69.2 | 0 | 0 | 0 | 0 | 111.3 | R319 V320 L321 | T317-R319 PolarHBondContact O-N 3.45Å; T317-R319 VanDerWaalsContact O-N 3.11Å; T317-V320 PolarHBondContact O-N 2.96Å; T317-V320 WeakPolarHBondContact OG1-CG2 3.39Å; T317-V320 PolarHBondContact OG1-N 3.11Å; T317-L321 PolarHBondContact O-N 3.14Å; T317-L321 VanDerWaalsContact O-N 3.09Å | ||
| 318 | K | 93.8 | Very high | 95.4 | Very high | 90 Ų | 90 | 71.3 Ų | 71.3 | 39% | 0.391 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -50.5 | -38.5 | 177.5 | -179.2 | 165.9 | -179 | 174.9 | 0 | 112.6 | L307 L321 Q322 | L307-K318 HydrophobicContact CB-CD 4.38Å; L307-K318 HydrophobicContact CB-CG 4.18Å; K318-L321 PolarHBondContact O-N 3.43Å; K318-Q322 WeakPolarHBondContact O-CB 3.37Å; K318-Q322 VanDerWaalsContact O-CG 3.24Å; K318-Q322 WeakPolarHBondContact O-CG 3.31Å; K318-Q322 PolarHBondContact O-N 2.84Å |
| 319 | R | 94.3 | Very high | 95.4 | Very high | 193 Ų | 193 | 66.6 Ų | 66.6 | 73% | 0.728 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 176.9 | -172.1 | 177.5 | -177.6 | 90 | -2.1 | 112.8 | T317 Q322 V323 | T317-R319 PolarHBondContact O-N 3.45Å; T317-R319 VanDerWaalsContact O-N 3.11Å; R319-Q322 PolarHBondContact O-N 3.31Å; R319-V323 WeakPolarHBondContact O-CG2 3.34Å; R319-V323 PolarHBondContact O-N 3.34Å |
| 320 | V | 95.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 33% | 0.327 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 178.2 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | F284 L316 T317 V323 W324 | F284-V320 HydrophobicContact CE1-CG1 3.5Å; F284-V320 VanDerWaalsContact CE1-CG1 3.5Å; F284-V320 HydrophobicContact CZ-CG1 3.82Å; L316-V320 HydrophobicContact CB-CG1 4.32Å; L316-V320 HydrophobicContact CD1-CG1 4.37Å; L316-V320 HydrophobicContact CD2-CG1 4.3Å; T317-V320 PolarHBondContact O-N 2.96Å; T317-V320 WeakPolarHBondContact OG1-CG2 3.39Å; T317-V320 PolarHBondContact OG1-N 3.11Å; V320-V323 PolarHBondContact O-N 3.13Å; V320-W324 WeakPolarHBondContact O-CB 3.44Å; V320-W324 PolarHBondContact O-N 3.46Å |
| 321 | L | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -47.1 | 173.6 | -66 | 173.8 | 0 | 0 | 0 | 111.8 | M292 L307 L310 A311 L316 T317 K318 V323 W324 F325 | M292-L321 HydrophobicContact CG-CD2 3.88Å; M292-L321 HydrophobicContact SD-CD2 3.43Å; M292-L321 WeakPolarHBondContact SD-CD2 3.24Å; L307-L321 HydrophobicContact CD2-CB 3.71Å; L310-L321 HydrophobicContact CB-CD1 3.74Å; A311-L321 HydrophobicContact CB-CD1 3.93Å; A311-L321 VanDerWaalsContact N-CD1 3.27Å; L316-L321 HydrophobicContact CB-CD2 4.04Å; L316-L321 HydrophobicContact CB-CG 4.04Å; L316-L321 HydrophobicContact CD1-CD2 3.92Å; T317-L321 PolarHBondContact O-N 3.14Å; T317-L321 VanDerWaalsContact O-N 3.09Å; K318-L321 PolarHBondContact O-N 3.43Å; L321-V323 VanDerWaalsContact C-N 3.33Å; L321-V323 PolarHBondContact O-N 3.33Å; L321-W324 WeakPolarHBondContact O-CB 3.38Å; L321-W324 PolarHBondContact O-N 3.2Å; L321-W324 VanDerWaalsContact O-N 3.08Å; L321-F325 WeakPolarHBondContact O-CD2 3.38Å; L321-F325 PolarHBondContact O-N 3.03Å |
| 322 | Q | 95.7 | Very high | 95 | Very high | 75 Ų | 75 | 73.4 Ų | 73.4 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.7 | -48 | 175.6 | -77.2 | 168.7 | -25.8 | 0 | 0 | 112.1 | L307 K318 R319 W324 F325 Q326 | L307-Q322 HydrophobicContact CD1-CG 3.71Å; L307-Q322 HydrophobicContact CD2-CG 3.97Å; K318-Q322 WeakPolarHBondContact O-CB 3.37Å; K318-Q322 VanDerWaalsContact O-CG 3.24Å; K318-Q322 WeakPolarHBondContact O-CG 3.31Å; K318-Q322 PolarHBondContact O-N 2.84Å; R319-Q322 PolarHBondContact O-N 3.31Å; Q322-W324 VanDerWaalsContact C-N 3.35Å; Q322-W324 PolarHBondContact O-N 3.42Å; Q322-F325 PolarHBondContact O-N 3.38Å; Q322-Q326 WeakPolarHBondContact O-CB 3.42Å; Q322-Q326 VanDerWaalsContact O-CG 3.22Å; Q322-Q326 WeakPolarHBondContact O-CG 3.3Å; Q322-Q326 PolarHBondContact O-N 2.98Å |
| 323 | V | 95.9 | Very high | 94.8 | Very high | 65 Ų | 65 | 73.1 Ų | 73.1 | 39% | 0.394 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 177.2 | 172 | 0 | 0 | 0 | 0 | 111.5 | R319 V320 L321 N327 | R319-V323 WeakPolarHBondContact O-CG2 3.34Å; R319-V323 PolarHBondContact O-N 3.34Å; V320-V323 PolarHBondContact O-N 3.13Å; L321-V323 VanDerWaalsContact C-N 3.33Å; L321-V323 PolarHBondContact O-N 3.33Å; V323-N327 WeakPolarHBondContact CG1-ND2 3.49Å; V323-N327 WeakPolarHBondContact O-CB 3.25Å; V323-N327 VanDerWaalsContact O-CG 3.31Å; V323-N327 PolarHBondContact O-N 3.22Å; V323-N327 PolarHBondContact O-ND2 2.84Å |
| 324 | W | 95.8 | Very high | 94.5 | Very high | 37 Ų | 37 | 74.5 Ų | 74.5 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 175.4 | -171.4 | 98 | 0 | 0 | 0 | 111.7 | F284 M292 K293 F296 V320 L321 Q322 Q326 N327 A328 | F284-W324 AromaticContact CE2-CD1 3.74Å; M292-W324 HydrophobicContact CB-CD2 4.14Å; M292-W324 HydrophobicContact CB-CE3 3.98Å; M292-W324 HydrophobicContact CB-CH2 3.72Å; M292-W324 HydrophobicContact CB-CZ2 3.84Å; M292-W324 HydrophobicContact CB-CZ3 3.78Å; M292-W324 HydrophobicContact CE-CD2 4.21Å; M292-W324 HydrophobicContact CE-CG 4.11Å; M292-W324 HydrophobicContact CG-CD2 4.48Å; M292-W324 HydrophobicContact CG-CE3 4.48Å; M292-W324 HydrophobicContact SD-CB 4.13Å; M292-W324 HydrophobicContact SD-CD2 3.65Å; M292-W324 HydrophobicContact SD-CE3 4.11Å; M292-W324 HydrophobicContact SD-CG 3.63Å; K293-W324 HydrophobicContact CG-CH2 4.14Å; K293-W324 HydrophobicContact CG-CZ2 4.08Å; F296-W324 HydrophobicContact CB-CH2 4.27Å; F296-W324 HydrophobicContact CB-CZ3 4.16Å; F296-W324 HydrophobicContact CD2-CZ3 4.16Å; F296-W324 HydrophobicContact CG-CZ3 4.42Å; V320-W324 WeakPolarHBondContact O-CB 3.44Å; V320-W324 PolarHBondContact O-N 3.46Å; L321-W324 WeakPolarHBondContact O-CB 3.38Å; L321-W324 PolarHBondContact O-N 3.2Å; L321-W324 VanDerWaalsContact O-N 3.08Å; Q322-W324 VanDerWaalsContact C-N 3.35Å; Q322-W324 PolarHBondContact O-N 3.42Å; W324-Q326 PolarHBondContact O-N 2.97Å; W324-N327 PolarHBondContact O-N 3.3Å; W324-A328 HydrophobicContact CE3-CB 4.19Å; W324-A328 HydrophobicContact CH2-CB 4.29Å; W324-A328 HydrophobicContact CZ3-CB 3.95Å; W324-A328 WeakPolarHBondContact O-CB 3.27Å; W324-A328 PolarHBondContact O-N 2.77Å |
| 325 | F | 97 | Very high | 93.8 | Very high | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.009 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 179 | -84.5 | -89.2 | 0 | 0 | 0 | 112.5 | Y295 F296 P302 L310 L321 Q322 A328 R329 | Y295-F325 AromaticContact CD1-CE1 3.97Å; Y295-F325 HydrophobicContact CD1-CE1 3.97Å; Y295-F325 AromaticContact CD1-CZ 3.85Å; Y295-F325 HydrophobicContact CD1-CZ 3.85Å; F296-F325 HydrophobicContact CB-CE1 4.08Å; F296-F325 AromaticContact CD2-CD1 3.67Å; F296-F325 HydrophobicContact CD2-CD1 3.67Å; F296-F325 AromaticContact CD2-CE1 3.78Å; F296-F325 HydrophobicContact CD2-CE1 3.78Å; F296-F325 HydrophobicContact CE2-CD1 4.32Å; F296-F325 HydrophobicContact CG-CE1 4.44Å; P302-F325 VanDerWaalsContact CD-CD1 3.48Å; P302-F325 HydrophobicContact CG-CB 4.28Å; P302-F325 HydrophobicContact CG-CD1 3.57Å; P302-F325 HydrophobicContact CG-CD2 3.94Å; P302-F325 HydrophobicContact CG-CE1 3.82Å; P302-F325 HydrophobicContact CG-CE2 4.18Å; P302-F325 HydrophobicContact CG-CG 3.66Å; P302-F325 HydrophobicContact CG-CZ 4.12Å; L310-F325 HydrophobicContact CD1-CE2 3.84Å; L310-F325 HydrophobicContact CD1-CZ 3.87Å; L321-F325 WeakPolarHBondContact O-CD2 3.38Å; L321-F325 PolarHBondContact O-N 3.03Å; Q322-F325 PolarHBondContact O-N 3.38Å; F325-A328 PolarHBondContact O-N 3.48Å; F325-R329 WeakPolarHBondContact O-CG 3.29Å; F325-R329 PolarHBondContact O-N 2.92Å |
| 326 | Q | 95.4 | Very high | 93 | Very high | 107 Ų | 107 | 77.9 Ų | 77.9 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 171.4 | -74.6 | 169.4 | 8.9 | 0 | 0 | 111.7 | Q322 W324 R329 A330 | Q322-Q326 WeakPolarHBondContact O-CB 3.42Å; Q322-Q326 VanDerWaalsContact O-CG 3.22Å; Q322-Q326 WeakPolarHBondContact O-CG 3.3Å; Q322-Q326 PolarHBondContact O-N 2.98Å; W324-Q326 PolarHBondContact O-N 2.97Å; Q326-R329 PolarHBondContact O-N 3.23Å; Q326-A330 WeakPolarHBondContact O-CB 3.38Å; Q326-A330 PolarHBondContact O-N 3.42Å |
| 327 | N | 96.3 | Very high | 91.5 | Very high | 96 Ų | 96 | 81.9 Ų | 81.9 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 177.5 | -75.2 | -43.5 | 0 | 0 | 0 | 112.6 | V323 W324 A330 K331 | V323-N327 WeakPolarHBondContact CG1-ND2 3.49Å; V323-N327 WeakPolarHBondContact O-CB 3.25Å; V323-N327 VanDerWaalsContact O-CG 3.31Å; V323-N327 PolarHBondContact O-N 3.22Å; V323-N327 PolarHBondContact O-ND2 2.84Å; W324-N327 PolarHBondContact O-N 3.3Å; N327-A330 PolarHBondContact O-N 3.06Å; N327-K331 PolarHBondContact O-N 2.93Å |
| 328 | A | 95.1 | Very high | 90.1 | Very high | 19 Ų | 19 | 86.3 Ų | 86.3 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F296 W324 F325 A330 K331 F332 | F296-A328 HydrophobicContact CD2-CB 3.79Å; F296-A328 HydrophobicContact CE2-CB 3.47Å; F296-A328 VanDerWaalsContact CE2-CB 3.47Å; F296-A328 HydrophobicContact CZ-CB 3.96Å; W324-A328 HydrophobicContact CE3-CB 4.19Å; W324-A328 HydrophobicContact CH2-CB 4.29Å; W324-A328 HydrophobicContact CZ3-CB 3.95Å; W324-A328 WeakPolarHBondContact O-CB 3.27Å; W324-A328 PolarHBondContact O-N 2.77Å; F325-A328 PolarHBondContact O-N 3.48Å; A328-A330 PolarHBondContact O-N 3.41Å; A328-K331 PolarHBondContact O-N 2.65Å; A328-F332 PolarHBondContact O-N 3.48Å |
| 329 | R | 95.8 | Very high | 88.4 | Confident | 55 Ų | 55 | 88.7 Ų | 88.7 | 21% | 0.208 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 173.9 | -70.4 | -168.3 | -63.5 | -100.8 | 9.5 | 113.1 | F296 H300 N301 F325 Q326 K331 F332 R333 | F296-R329 HydrophobicContact CE2-CG 3.88Å; F296-R329 HydrophobicContact CZ-CG 4.2Å; H300-R329 HydrophobicContact CB-CG 4.37Å; H300-R329 VanDerWaalsContact O-CD 3.3Å; H300-R329 WeakPolarHBondContact O-CD 3.42Å; H300-R329 PolarHBondContact O-NH1 2.86Å; N301-R329 WeakPolarHBondContact OD1-CD 3.27Å; N301-R329 PolarHBondContact OD1-NE 2.96Å; N301-R329 PolarHBondContact OD1-NH1 3.13Å; F325-R329 WeakPolarHBondContact O-CG 3.29Å; F325-R329 PolarHBondContact O-N 2.92Å; Q326-R329 PolarHBondContact O-N 3.23Å; R329-K331 VanDerWaalsContact C-N 3.3Å; R329-K331 PolarHBondContact O-N 2.89Å; R329-F332 PolarHBondContact O-N 3.33Å; R329-R333 PolarHBondContact O-N 3.42Å |
| 330 | A | 94 | Very high | 86.6 | Confident | 34 Ų | 34 | 85.9 Ų | 85.9 | 28% | 0.281 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.6 | -32.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q326 N327 A328 R334 | Q326-A330 WeakPolarHBondContact O-CB 3.38Å; Q326-A330 PolarHBondContact O-N 3.42Å; N327-A330 PolarHBondContact O-N 3.06Å; A328-A330 PolarHBondContact O-N 3.41Å; A330-R334 WeakPolarHBondContact O-CG 3.29Å; A330-R334 PolarHBondContact O-N 3.39Å; A330-R334 PolarHBondContact O-NE 3.22Å |
| 331 | K | 92.9 | Very high | 84.3 | Confident | 131 Ų | 131 | 88.1 Ų | 88.1 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.9 | -42.8 | 169.6 | -172.4 | -179.7 | 177.6 | -175 | 0 | 111.2 | N327 A328 R329 R334 N335 | N327-K331 PolarHBondContact O-N 2.93Å; A328-K331 PolarHBondContact O-N 2.65Å; R329-K331 VanDerWaalsContact C-N 3.3Å; R329-K331 PolarHBondContact O-N 2.89Å; K331-R334 PolarHBondContact O-N 3.37Å; K331-N335 PolarHBondContact O-N 3.24Å; K331-N335 PolarHBondContact O-ND2 3.34Å |
| 332 | F | 91.8 | Very high | 81.9 | Confident | 91 Ų | 91 | 93.8 Ų | 93.8 | 40% | 0.399 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.4 | -53 | 179.2 | -175 | -105.3 | 0 | 0 | 0 | 111.8 | F296 H300 A328 R329 R334 N335 L336 | F296-F332 HydrophobicContact CZ-CB 4.34Å; H300-F332 AromaticContact CE1-CD1 3.96Å; H300-F332 AromaticContact CE1-CE1 3.64Å; H300-F332 AromaticContact CE1-CE2 3.94Å; H300-F332 AromaticContact CE1-CZ 3.64Å; H300-F332 AromaticContact ND1-CD1 3.98Å; H300-F332 AromaticContact ND1-CE1 3.9Å; A328-F332 PolarHBondContact O-N 3.48Å; R329-F332 PolarHBondContact O-N 3.33Å; F332-R334 VanDerWaalsContact C-N 3.3Å; F332-R334 PolarHBondContact O-N 2.94Å; F332-N335 PolarHBondContact O-N 3.12Å; F332-L336 HydrophobicContact CD1-CD1 4Å; F332-L336 HydrophobicContact CE1-CD1 3.42Å; F332-L336 VanDerWaalsContact CE1-CD1 3.42Å; F332-L336 HydrophobicContact CE1-CG 4.48Å; F332-L336 HydrophobicContact CZ-CD1 3.87Å; F332-L336 PolarHBondContact O-N 2.87Å; F332-L336 VanDerWaalsContact O-N 3.12Å |
| 333 | R | 91.7 | Very high | 79.4 | Confident | 158 Ų | 158 | 93 Ų | 93 | 60% | 0.596 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.8 | -37.5 | 177.2 | -68.8 | -164.5 | -58.4 | -100.5 | 3.3 | 113.7 | R329 N335 L336 L337 | R329-R333 PolarHBondContact O-N 3.42Å; R333-N335 VanDerWaalsContact C-N 3.25Å; R333-N335 PolarHBondContact O-N 3.44Å; R333-L336 PolarHBondContact O-N 2.96Å; R333-L337 PolarHBondContact O-N 3.1Å |
| 334 | R | 87.1 | Confident | 77.1 | Confident | 164 Ų | 164 | 96 Ų | 96 | 62% | 0.619 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.5 | -17.9 | 175.5 | -75.5 | -173.9 | -60.3 | 116.7 | -6.4 | 114.2 | A330 K331 F332 | A330-R334 WeakPolarHBondContact O-CG 3.29Å; A330-R334 PolarHBondContact O-N 3.39Å; A330-R334 PolarHBondContact O-NE 3.22Å; K331-R334 PolarHBondContact O-N 3.37Å; F332-R334 VanDerWaalsContact C-N 3.3Å; F332-R334 PolarHBondContact O-N 2.94Å |
| 335 | N | 81.3 | Confident | 74.1 | Confident | 73 Ų | 73 | 101.8 Ų | 101.8 | 39% | 0.39 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -87.1 | -36.9 | 172 | -73.5 | -79.1 | 0 | 0 | 0 | 111.2 | K331 F332 R333 R338 Q339 | K331-N335 PolarHBondContact O-N 3.24Å; K331-N335 PolarHBondContact O-ND2 3.34Å; F332-N335 PolarHBondContact O-N 3.12Å; R333-N335 VanDerWaalsContact C-N 3.25Å; R333-N335 PolarHBondContact O-N 3.44Å; N335-R338 PolarHBondContact O-N 3.44Å; N335-R338 PolarHBondContact OD1-NH1 2.81Å; N335-Q339 PolarHBondContact O-N 3.18Å |
| 336 | L | 77.7 | Confident | 71.2 | Confident | 76 Ų | 76 | 111.3 Ų | 111.3 | 40% | 0.398 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.6 | -50.4 | 172 | -94.6 | 163.4 | 0 | 0 | 0 | 112.7 | F332 R333 R338 Q339 E340 | F332-L336 HydrophobicContact CD1-CD1 4Å; F332-L336 HydrophobicContact CE1-CD1 3.42Å; F332-L336 VanDerWaalsContact CE1-CD1 3.42Å; F332-L336 HydrophobicContact CE1-CG 4.48Å; F332-L336 HydrophobicContact CZ-CD1 3.87Å; F332-L336 PolarHBondContact O-N 2.87Å; F332-L336 VanDerWaalsContact O-N 3.12Å; R333-L336 PolarHBondContact O-N 2.96Å; L336-R338 PolarHBondContact O-N 3.05Å; L336-R338 VanDerWaalsContact O-N 3.16Å; L336-Q339 WeakPolarHBondContact O-CA 3.3Å; L336-Q339 WeakPolarHBondContact O-CB 3.4Å; L336-Q339 PolarHBondContact O-N 3.28Å; L336-E340 PolarHBondContact O-N 3.11Å |
| 337 | L | 63.5 | Low | 68.1 | Low | 109 Ų | 109 | 111.1 Ų | 111.1 | 57% | 0.571 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.3 | -29.5 | 179.8 | -173.1 | 64.1 | 0 | 0 | 0 | 112.6 | R333 Q339 S341 | R333-L337 PolarHBondContact O-N 3.1Å; L337-Q339 PolarHBondContact O-N 3.43Å; L337-S341 PolarHBondContact O-N 3.03Å; L337-S341 PolarHBondContact O-OG 2.91Å |
| 338 | R | 66.4 | Low | 65.3 | Low | 184 Ų | 184 | 111.3 Ų | 111.3 | 69% | 0.694 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.7 | -4.9 | 175.1 | -148.3 | -177 | 89.7 | -114.6 | 6.4 | 113.5 | N335 L336 | N335-R338 PolarHBondContact O-N 3.44Å; N335-R338 PolarHBondContact OD1-NH1 2.81Å; L336-R338 PolarHBondContact O-N 3.05Å; L336-R338 VanDerWaalsContact O-N 3.16Å |
| 339 | Q | 57.7 | Low | 62.3 | Low | 140 Ų | 140 | 118.4 Ų | 118.4 | 65% | 0.654 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -107.4 | -31.3 | 177.3 | -166.5 | 166.7 | 63 | 0 | 0 | 110.8 | N335 L336 L337 T342 | N335-Q339 PolarHBondContact O-N 3.18Å; L336-Q339 WeakPolarHBondContact O-CA 3.3Å; L336-Q339 WeakPolarHBondContact O-CB 3.4Å; L336-Q339 PolarHBondContact O-N 3.28Å; L337-Q339 PolarHBondContact O-N 3.43Å; Q339-T342 PolarHBondContact O-OG1 3.06Å |
| 340 | E | 56.1 | Low | 59.3 | Low | 134 Ų | 134 | 118.5 Ų | 118.5 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.8 | -40.4 | 168.6 | -96.5 | 176.6 | 96.3 | 0 | 0 | 113 | L336 T342 G343 | L336-E340 PolarHBondContact O-N 3.11Å; E340-T342 PolarHBondContact O-N 3.37Å; E340-G343 PolarHBondContact O-N 2.74Å; E340-G343 VanDerWaalsContact O-N 3.15Å |
| 341 | S | 46.6 | Very low | 56.3 | Low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 16.6 | 178 | -58 | 0 | 0 | 0 | 0 | 115.3 | L337 | L337-S341 PolarHBondContact O-N 3.03Å; L337-S341 PolarHBondContact O-OG 2.91Å |
| 342 | T | 46 | Very low | 53.5 | Low | 119 Ų | 119 | 122.9 Ų | 122.9 | 73% | 0.73 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 11 | 173.9 | 24.9 | 0 | 0 | 0 | 0 | 112.8 | Q339 E340 | Q339-T342 PolarHBondContact O-OG1 3.06Å; E340-T342 PolarHBondContact O-N 3.37Å |
| 343 | G | 44.5 | Very low | 50.7 | Low | 59 Ų | 59 | 125.4 Ų | 125.4 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -141.5 | 36.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | E340 | E340-G343 PolarHBondContact O-N 2.74Å; E340-G343 VanDerWaalsContact O-N 3.15Å |
| 344 | V | 45.7 | Very low | 47.8 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | -155.3 | 119.2 | 160.7 | -102.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 345 | D | 32.9 | Very low | 45.1 | Very low | 157 Ų | 157 | 122.9 Ų | 122.9 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | trans | 155.9 | 92.9 | 137.1 | -82 | -20.9 | 0 | 0 | 0 | 112.1 | ||||
| 346 | K | 36 | Very low | 42.6 | Very low | 202 Ų | 202 | 123.2 Ų | 123.2 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | trans | -171.4 | 106 | 132.2 | -113.4 | -176.3 | 175.4 | -174.7 | 0 | 113.4 | ||||
| 347 | A | 31.9 | Very low | 40.4 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -139.3 | 117.4 | 141.5 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 348 | S | 35.8 | Very low | 39.6 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -68.1 | 151.2 | 168.6 | -64.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 349 | D | 33 | Very low | 37.9 | Very low | 167 Ų | 167 | 123 Ų | 123 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | -155.7 | 167.4 | 69.2 | -134.8 | -36.9 | 0 | 0 | 0 | 114.7 | |||||
| 350 | G | 33.2 | Very low | 36.5 | Very low | 58 Ų | 58 | 119.7 Ų | 119.7 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | trans | -97 | 159.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 351 | S | 31.2 | Very low | 36.2 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -155.4 | 154.1 | 151 | -88 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 352 | T | 33.3 | Very low | 35.5 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -89.3 | 158.3 | -160.3 | -41.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 353 | L | 32.9 | Very low | 34.9 | Very low | 144 Ų | 144 | 117.8 Ų | 117.8 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 114.2 | 110.1 | 150.5 | -61.3 | 173.8 | 0 | 0 | 0 | 118.9 | ||||
| 354 | Q | 30.8 | Very low | 34.2 | Very low | 186 Ų | 186 | 122.6 Ų | 122.6 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | 73.3 | 122.3 | 121.1 | -152.6 | 160.6 | 72.1 | 0 | 0 | 120.1 | |||||
| 355 | G | 30.6 | Very low | 33.5 | Very low | 82 Ų | 82 | 123.1 Ų | 123.1 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -72.1 | 171.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 356 | G | 29.2 | Very low | 33.4 | Very low | 81 Ų | 81 | 120.8 Ų | 120.8 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 165.5 | 100.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 357 | T | 31.7 | Very low | 33.1 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | -100.8 | 143.1 | 148 | 55 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 358 | P | 46.2 | Very low | 33.1 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | -154.4 | -176.4 | 60.2 | 41.6 | -20.8 | 0 | 0 | 0 | 117.8 | |||||
| 359 | S | 31 | Very low | 32.7 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 81 | 127.4 | 152.6 | -55.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 360 | G | 28.7 | Very low | 32.7 | Very low | 69 Ų | 69 | 118.9 Ų | 118.9 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -84.2 | -164.1 | 153 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 361 | P | 49.1 | Very low | 32.8 | Very low | 128 Ų | 128 | 121.6 Ų | 121.6 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | cis | -146.8 | -173.7 | 44.7 | 42.5 | -23.2 | 0 | 0 | 0 | 117.3 | ||||
| 362 | A | 30.8 | Very low | 33.5 | Very low | 81 Ų | 81 | 121.3 Ų | 121.3 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | 64.8 | 111.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 363 | S | 34.6 | Very low | 33.2 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | 96.8 | 146.6 | 95.6 | -71 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 364 | E | 29.6 | Very low | 33 | Very low | 160 Ų | 160 | 118.9 Ų | 118.9 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | cis | -164 | 171.2 | 1.5 | -126.9 | 174.6 | 133.2 | 0 | 0 | 110.7 | ||||
| 365 | I | 31.8 | Very low | 33 | Very low | 139 Ų | 139 | 116.3 Ų | 116.3 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 23.9 | 134.1 | 163.6 | 31 | 64 | 0 | 0 | 0 | 121.5 | ||||
| 366 | S | 29.7 | Very low | 33.5 | Very low | 109 Ų | 109 | 117.3 Ų | 117.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | -164.8 | 159 | 57.1 | -57.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 367 | N | 30.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 119 Ų | 119 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -61.6 | 154.7 | 172.9 | -50.2 | -34.9 | 0 | 0 | 0 | 114.4 | ||||
| 368 | A | 30.1 | Very low | 33.3 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | -175.9 | 141.7 | 105.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 369 | S | 29.1 | Very low | 32.4 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -78.1 | 161.1 | 174.8 | -48.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 370 | M | 33.1 | Very low | 32.5 | Very low | 177 Ų | 177 | 123.5 Ų | 123.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | 167.3 | 128.5 | 123.1 | -74.6 | -23 | 147.2 | 0 | 0 | 110.6 | |||||
| 371 | S | 35.3 | Very low | 32.4 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -95.8 | 162.9 | 155.9 | -43.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 372 | P | 45.5 | Very low | 31.4 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -154.1 | 157.4 | 78.4 | 38.7 | -18.7 | 0 | 0 | 0 | 118.2 | |||||
| 373 | S | 27.2 | Very low | 31.5 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 37.8 | 126.6 | 136.6 | -166.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 374 | S | 28.5 | Very low | 31.3 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | -170.4 | 146.7 | 115.2 | -78.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 375 | T | 30.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -87.9 | -175.2 | 171.1 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 376 | P | 41.6 | Very low | 31.9 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | cis | -151.1 | -179.7 | 19.3 | 41.3 | -17.6 | 0 | 0 | 0 | 120.7 | ||||
| 377 | T | 27.5 | Very low | 32.1 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | trans | 63.2 | 123 | 148.9 | 41.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 378 | T | 29.1 | Very low | 32.7 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | -159.2 | 156 | 95.4 | 11.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 379 | L | 26.3 | Very low | 32.7 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -97.6 | 150.6 | -178.8 | -73.3 | 155.5 | 0 | 0 | 0 | 111.1 | ||||
| 380 | T | 34 | Very low | 32.6 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | -168.4 | 161.5 | 123.9 | 12.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 381 | D | 26.3 | Very low | 32.4 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -138.1 | 161.3 | -156.7 | -160.4 | 6.3 | 0 | 0 | 0 | 111.8 | ||||
| 382 | L | 27.1 | Very low | 32.2 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | 50.7 | 119.4 | 169.1 | -97.3 | 69.1 | 0 | 0 | 0 | 119.8 | ||||
| 383 | T | 32.8 | Very low | 31.4 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | 179.3 | 139.5 | 103.9 | 28.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 384 | N | 30.8 | Very low | 31.4 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | trans | -111.2 | -179.7 | 161.5 | -146.3 | 23.4 | 0 | 0 | 0 | 106.1 | ||||
| 385 | P | 46.3 | Very low | 31.4 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 66% | 0.662 | 80% | 0.799 | S | S | * | * | cis | -138 | -179.7 | 7.1 | 43.5 | -25.4 | 0 | 0 | 0 | 116.1 | ||||
| 386 | T | 29.3 | Very low | 31.4 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -162.7 | 137.5 | 149.1 | -76.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 387 | M | 32.8 | Very low | 31 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -101.6 | 164.1 | 166.6 | -82.1 | -84.5 | -144.2 | 0 | 0 | 109.3 | ||||
| 388 | P | 43.4 | Very low | 31.5 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | -155.3 | 154.8 | 105 | 37.5 | -18.5 | 0 | 0 | 0 | 119 | |||||
| 389 | T | 30.3 | Very low | 31.3 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 84.5 | 133.1 | 138.3 | -63.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 390 | V | 27.9 | Very low | 31.4 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -90.9 | 156.9 | 173.2 | -87.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 391 | T | 28.7 | Very low | 31.1 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -150.6 | 142.8 | 152.7 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 392 | S | 30.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -122.7 | 137.4 | 179.5 | -49.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 393 | V | 28.9 | Very low | 31.4 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -141.3 | 145.6 | 166.2 | -171.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 394 | L | 26.8 | Very low | 31.3 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -94.3 | -174 | -175.7 | -69.5 | 162.2 | 0 | 0 | 0 | 112.5 | ||||
| 395 | T | 28.1 | Very low | 31.2 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | 76.1 | 145.4 | 166.2 | 67.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 396 | S | 30.1 | Very low | 30.4 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | cis | -167.4 | 159 | -10.9 | 39.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 397 | V | 33.1 | Very low | 30.3 | Very low | 137 Ų | 137 | 137 Ų | 137 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -95.7 | 139.8 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 398 | P | 38.5 | Very low | 30 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | -129.3 | 157.8 | 116.8 | 14.3 | 6.2 | 0 | 0 | 0 | 110.5 | |||||
| 399 | G | 26.3 | Very low | 29.5 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | cis | 113.1 | 98.3 | 21.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 400 | G | 27.1 | Very low | 29.4 | Very low | 75 Ų | 75 | 133.1 Ų | 133.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -166.2 | 145 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 401 | M | 28.4 | Very low | 29.4 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | trans | -137.2 | 165.8 | -160.1 | -45.7 | -177.1 | 82 | 0 | 0 | 111.4 | ||||
| 402 | D | 29.2 | Very low | 29.5 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | 70.2 | 150.3 | 167.5 | -63.2 | -79 | 0 | 0 | 0 | 116.9 | ||||
| 403 | V | 31.1 | Very low | 29.3 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | cis | -156.1 | 173.6 | -1.1 | 105.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 404 | H | 28.8 | Very low | 29.2 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -35.1 | 157.8 | 165.5 | -93.3 | -140.4 | 0 | 0 | 0 | 116.6 | ||||
| 405 | E | 29.3 | Very low | 29.3 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | -169.5 | -179.8 | 56.5 | -160.4 | 153.7 | 101 | 0 | 0 | 114.2 | |||||
| 406 | C | 28.7 | Very low | 29.5 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -87.7 | 150.5 | -166.8 | -50.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 407 | R | 27.3 | Very low | 29.5 | Very low | 245 Ų | 245 | 139.2 Ų | 139.2 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -156.2 | 129.4 | 147.7 | -157.8 | 172 | -178 | -179.1 | 1.7 | 113.9 | ||||
| 408 | S | 27.6 | Very low | 29.4 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -95.7 | 176.2 | 170.2 | -39.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 409 | P | 33.7 | Very low | 29 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | cis | -121.4 | 165.5 | -37.8 | 36.7 | -24.2 | 0 | 0 | 0 | 111.4 | ||||
| 410 | S | 26.5 | Very low | 29.1 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | trans | -134.1 | 128.2 | 168.6 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 411 | Q | 28.2 | Very low | 29.2 | Very low | 198 Ų | 198 | 153.3 Ų | 153.3 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | trans | -72.7 | 129.1 | 176 | -58 | 171.3 | 23 | 0 | 0 | 109.8 | ||||
| 412 | T | 31.5 | Very low | 29.3 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -139 | 132.1 | 171.3 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 413 | T | 26.3 | Very low | 29.3 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | trans | -74.6 | 158.6 | -175.6 | -24 | 0 | 0 | 0 | 0 | 112.4 | T415 | T413-T415 PolarHBondContact O-N 2.72Š| ||
| 414 | L | 26.8 | Very low | 29.2 | Very low | 168 Ų | 168 | 154.7 Ų | 154.7 | 88% | 0.88 | 84% | 0.835 | S | S | * | * | trans | -54.3 | 126.8 | -179.4 | -76.7 | 164.1 | 0 | 0 | 0 | 114 | ||||
| 415 | T | 28 | Very low | 29.2 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -124.1 | 119.2 | 153.4 | -36.1 | 0 | 0 | 0 | 0 | 108 | T413 L417 | T413-T415 PolarHBondContact O-N 2.72Å; T415-L417 PolarHBondContact O-N 2.97Å | ||
| 416 | S | 32 | Very low | 29.2 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | trans | -69.1 | 118.8 | -177.9 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 417 | L | 31.4 | Very low | 29.2 | Very low | 162 Ų | 162 | 155.8 Ų | 155.8 | 85% | 0.848 | 85% | 0.849 | S | S | * | * | trans | -131.6 | 155.8 | 160 | -72.9 | 176.6 | 0 | 0 | 0 | 110.1 | T415 | T415-L417 PolarHBondContact O-N 2.97Š| ||
| 418 | F | 31.6 | Very low | 29.4 | Very low | 246 Ų | 246 | 147.6 Ų | 147.6 | 100% | 1.079 | 84% | 0.842 | S | S | * | * | trans | -80.3 | 0 | -154.9 | -78.4 | -103.8 | 0 | 0 | 0 | 115 |
Retrieved 418 of 418 residues in 179.3 ms
(Link to these results)