| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.7 | Very low | 35.8 | Very low | 230 Ų | 230 | 165.2 Ų | 165.2 | 100% | 1.133 | 86% | 0.862 | S | S | * | * | 0 | 114.8 | 0 | -83.5 | 146.9 | 81.5 | 0 | 0 | 106.7 | |||||
| 2 | R | 34.8 | Very low | 35.6 | Very low | 232 Ų | 232 | 166.6 Ų | 166.6 | 88% | 0.875 | 87% | 0.869 | S | S | * | * | cis | -151.4 | 148.1 | -0.5 | -76.3 | 177.2 | -169.2 | -125.8 | 0.5 | 105.9 | ||||
| 3 | Q | 37.5 | Very low | 35.1 | Very low | 189 Ų | 189 | 164.8 Ų | 164.8 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | trans | -60 | 152.9 | 162.2 | -69 | 162.5 | -31.2 | 0 | 0 | 111.1 | ||||
| 4 | S | 35.3 | Very low | 34.7 | Very low | 119 Ų | 119 | 167.4 Ų | 167.4 | 83% | 0.832 | 85% | 0.847 | S | S | * | * | -177.2 | 103.6 | 129.2 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 5 | D | 38.1 | Very low | 34.5 | Very low | 154 Ų | 154 | 161.1 Ų | 161.1 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | -59.3 | 151.7 | 151.4 | -60.5 | -51.6 | 0 | 0 | 0 | 110.5 | ||||
| 6 | S | 36.9 | Very low | 34.5 | Very low | 115 Ų | 115 | 156.2 Ų | 156.2 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -178.7 | 108.8 | 130.1 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 7 | E | 37.2 | Very low | 34.8 | Very low | 182 Ų | 182 | 156.3 Ų | 156.3 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -48 | 144.4 | 154.7 | -79.8 | 148.6 | 97.4 | 0 | 0 | 113.3 | ||||
| 8 | T | 36.6 | Very low | 34.5 | Very low | 139 Ų | 139 | 155.4 Ų | 155.4 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -153.9 | 83.5 | 139.3 | -22.1 | 0 | 0 | 0 | 0 | 110.4 | G10 | T8-G10 PolarHBondContact O-N 2.93Š| ||
| 9 | R | 36.3 | Very low | 34.4 | Very low | 233 Ų | 233 | 152.1 Ų | 152.1 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -83.7 | 96.5 | 155.8 | -84.8 | 179 | 159.1 | 172.6 | -5.9 | 106.8 | L11 | R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.47Å | ||
| 10 | G | 30.2 | Very low | 34.7 | Very low | 73 Ų | 73 | 151.9 Ų | 151.9 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -70 | 83.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | T8 L12 | T8-G10 PolarHBondContact O-N 2.93Å; G10-L12 PolarHBondContact O-N 3.4Å | ||
| 11 | L | 35 | Very low | 34.8 | Very low | 151 Ų | 151 | 149 Ų | 149 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -70.2 | 112.4 | 165.3 | -79.1 | 149 | 0 | 0 | 0 | 108.2 | R9 H13 | R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.47Å; L11-H13 PolarHBondContact O-N 2.91Å | ||
| 12 | L | 33.8 | Very low | 34.9 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | trans | -71.8 | 76.9 | 159.8 | -69.3 | 169.1 | 0 | 0 | 0 | 107.7 | G10 | G10-L12 PolarHBondContact O-N 3.4Š| ||
| 13 | H | 28.4 | Very low | 34.8 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 67% | 0.667 | 77% | 0.77 | S | S | * | * | trans | -78.2 | 113.9 | 166.1 | 138.4 | -74.4 | 0 | 0 | 0 | 106.9 | L11 | L11-H13 PolarHBondContact O-N 2.91Š| ||
| 14 | W | 29.6 | Very low | 34.4 | Very low | 201 Ų | 201 | 141.1 Ų | 141.1 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 131.8 | 162.7 | -171.8 | -100 | 0 | 0 | 0 | 107.5 | S16 | W14-S16 PolarHBondContact O-N 3.49Š|
| 15 | P | 31.9 | Very low | 34.4 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 47% | 0.474 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 137.8 | -179.8 | 1.6 | 10 | 0 | 0 | 0 | 110.5 | ||
| 16 | S | 34.7 | Very low | 34.1 | Very low | 82 Ų | 82 | 142.4 Ų | 142.4 | 57% | 0.573 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 149.6 | 172.2 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | W14 D18 | W14-S16 PolarHBondContact O-N 3.49Å; S16-D18 PolarHBondContact O-N 3.45Å; S16-D18 PolarHBondContact OG-OD2 2.81Å |
| 17 | L | 39.8 | Very low | 34 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 9.8 | -174.7 | -103.1 | 117.6 | 0 | 0 | 0 | 116.5 | ||
| 18 | D | 28.4 | Very low | 33.8 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 8.8 | -171.3 | -58.3 | -48.1 | 0 | 0 | 0 | 114.3 | S16 | S16-D18 PolarHBondContact O-N 3.45Å; S16-D18 PolarHBondContact OG-OD2 2.81Å |
| 19 | T | 34.1 | Very low | 33.6 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 56% | 0.564 | 75% | 0.749 | S | S | * | * | trans | -111.9 | 53.5 | -171.2 | -24.9 | 0 | 0 | 0 | 0 | 113.4 | T21 | T19-T21 HydrophobicContact CG2-CG2 4.23Å; T19-T21 WeakPolarHBondContact CG2-OG1 3.41Å; T19-T21 PolarHBondContact O-N 2.79Å | ||
| 20 | V | 39.7 | Very low | 33.2 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | trans | -71.2 | 85.8 | 154.3 | 174.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 21 | T | 36.8 | Very low | 33.9 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 57% | 0.571 | 75% | 0.751 | S | S | * | * | trans | -107.3 | 112.6 | 170.4 | 30.6 | 0 | 0 | 0 | 0 | 109.6 | T19 R23 | T19-T21 HydrophobicContact CG2-CG2 4.23Å; T19-T21 WeakPolarHBondContact CG2-OG1 3.41Å; T19-T21 PolarHBondContact O-N 2.79Å; T21-R23 PolarHBondContact O-N 3.23Å; T21-R23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | N | 38.7 | Very low | 33.9 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -28.6 | 110 | 152.9 | -177.6 | 4.3 | 0 | 0 | 0 | 111.7 | ||||
| 23 | R | 31.3 | Very low | 34.1 | Very low | 233 Ų | 233 | 132.2 Ų | 132.2 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -123.5 | 87.3 | 166.8 | -111 | -167.6 | -80.5 | -145.3 | -1.3 | 109.3 | T21 | T21-R23 PolarHBondContact O-N 3.23Å; T21-R23 VanDerWaalsContact O-N 3.15Å | ||
| 24 | S | 30.1 | Very low | 34.5 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | -79.9 | 140.6 | 142.6 | -55 | 0 | 0 | 0 | 0 | 106 | ||||
| 25 | S | 35.1 | Very low | 35 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | cis | -168.6 | 146.7 | 22.8 | 48.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 26 | E | 32.4 | Very low | 35.6 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | S | Bend | 178.6 | 112.4 | 126.7 | -98.1 | 172.8 | 149 | 0 | 0 | 110.1 | |||
| 27 | G | 34 | Very low | 35.6 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 108 | 51.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 28 | Q | 32.1 | Very low | 35.5 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 94% | 0.935 | 75% | 0.749 | S | S | * | * | trans | -164 | 139.8 | 140.7 | -129.3 | 104.4 | 19 | 0 | 0 | 108.7 | ||||
| 29 | G | 32.4 | Very low | 35.8 | Very low | 59 Ų | 59 | 132.5 Ų | 132.5 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | trans | -59.5 | 172 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | V31 | G29-V31 PolarHBondContact O-N 3.11Š| ||
| 30 | P | 29.3 | Very low | 35.8 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 86% | 0.857 | 74% | 0.739 | S | S | * | * | trans | -69.7 | 100.3 | -175.5 | 29.6 | -31.7 | 0 | 0 | 0 | 109.4 | E32 | P30-E32 PolarHBondContact O-N 2.9Š| ||
| 31 | V | 44 | Very low | 35.7 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | trans | -72.3 | 95.3 | 154.4 | 174 | 0 | 0 | 0 | 0 | 105 | G29 T33 | G29-V31 PolarHBondContact O-N 3.11Å; V31-T33 PolarHBondContact O-N 2.97Å | ||
| 32 | E | 34.8 | Very low | 36 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | -49.7 | 109.1 | 179.5 | -156.5 | 172.2 | -162.6 | 0 | 0 | 109 | P30 N34 | P30-E32 PolarHBondContact O-N 2.9Å; E32-N34 PolarHBondContact O-N 3.13Å | ||
| 33 | T | 39.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 64% | 0.644 | 74% | 0.735 | S | S | * | * | trans | -70.9 | 62.8 | 179.9 | -32.4 | 0 | 0 | 0 | 0 | 109.4 | V31 R35 L36 | V31-T33 PolarHBondContact O-N 2.97Å; T33-R35 PolarHBondContact O-N 3.3Å; T33-L36 HydrophobicContact CG2-CD1 3.64Å | ||
| 34 | N | 34.9 | Very low | 37.2 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 28.9 | -176.6 | -158.2 | 11.7 | 0 | 0 | 0 | 112.8 | E32 | E32-N34 PolarHBondContact O-N 3.13Š|
| 35 | R | 41.3 | Very low | 38.5 | Very low | 228 Ų | 228 | 126.4 Ų | 126.4 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 10.8 | 166.8 | -67.3 | -159.7 | -166.9 | -161.5 | 7.9 | 113 | T33 | T33-R35 PolarHBondContact O-N 3.3Š|
| 36 | L | 44.6 | Very low | 40.3 | Very low | 146 Ų | 146 | 122.2 Ų | 122.2 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -83 | -7.4 | 172.6 | -89.6 | 118 | 0 | 0 | 0 | 114 | T33 | T33-L36 HydrophobicContact CG2-CD1 3.64Š|
| 37 | S | 34.9 | Very low | 42.7 | Very low | 96 Ų | 96 | 113 Ų | 113 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -101.6 | -0.5 | -168.8 | 59 | 0 | 0 | 0 | 0 | 116.4 | ||
| 38 | S | 36.5 | Very low | 45.2 | Very low | 96 Ų | 96 | 112.9 Ų | 112.9 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -118.4 | 11.4 | -174.9 | 66.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 39 | M | 36.3 | Very low | 47.7 | Very low | 122 Ų | 122 | 103.8 Ų | 103.8 | 60% | 0.601 | 58% | 0.578 | S | S | * | * | trans | -100.7 | 126.9 | -178.5 | -69.8 | -93.8 | 162.3 | 0 | 0 | 111.3 | K44 | M39-K44 HydrophobicContact SD-CD 3.51Å; M39-K44 VanDerWaalsContact SD-CD 3.51Å; M39-K44 VanDerWaalsContact SD-CE 3.53Å; M39-K44 PolarHBondContact SD-NZ 3.4Å | ||
| 40 | P | 32.7 | Very low | 50.2 | Low | 78 Ų | 78 | 103.1 Ų | 103.1 | 51% | 0.506 | 56% | 0.56 | S | S | . | * | trans | -63.4 | 154.7 | 175.7 | 25.9 | -32.9 | 0 | 0 | 0 | 111.6 | T42 | P40-T42 PolarHBondContact O-N 2.82Š| ||
| 41 | P | 38.2 | Very low | 52.7 | Low | 137 Ų | 137 | 97.9 Ų | 97.9 | 89% | 0.89 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -83.7 | 44.9 | -164.9 | 37.4 | -37.4 | 0 | 0 | 0 | 112.9 | ||
| 42 | T | 43.1 | Very low | 54.6 | Low | 101 Ų | 101 | 99 Ų | 99 | 62% | 0.62 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -105.8 | 114.8 | 160.1 | 52.3 | 0 | 0 | 0 | 0 | 105.6 | P40 K44 | P40-T42 PolarHBondContact O-N 2.82Å; T42-K44 PolarHBondContact O-N 3.49Å |
| 43 | L | 43.3 | Very low | 56.7 | Low | 127 Ų | 127 | 95.9 Ų | 95.9 | 67% | 0.665 | 50% | 0.499 | S | S | * | . | trans | -50.1 | 98.8 | -179.6 | -162.8 | 85.5 | 0 | 0 | 0 | 108.9 | R45 H83 | L43-R45 PolarHBondContact O-N 3.48Å; L43-H83 HydrophobicContact CD2-CB 4.08Å; L43-H83 WeakPolarHBondContact CD2-ND1 3.35Å | ||
| 44 | K | 50.8 | Low | 58.6 | Low | 122 Ų | 122 | 91.8 Ų | 91.8 | 53% | 0.53 | 48% | 0.476 | S | S | . | . | trans | -72.2 | 104.4 | -173.2 | -80 | -174.1 | -179.3 | -174.2 | 0 | 107.5 | M39 T42 G46 | M39-K44 HydrophobicContact SD-CD 3.51Å; M39-K44 VanDerWaalsContact SD-CD 3.51Å; M39-K44 VanDerWaalsContact SD-CE 3.53Å; M39-K44 PolarHBondContact SD-NZ 3.4Å; T42-K44 PolarHBondContact O-N 3.49Å; K44-G46 PolarHBondContact O-N 2.87Å | ||
| 45 | R | 57.9 | Low | 59.9 | Low | 122 Ų | 122 | 92.7 Ų | 92.7 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | trans | -48.3 | 125.3 | 152.5 | -59.8 | -176.7 | -177.6 | -159.1 | 2.4 | 106.3 | L43 D79 | L43-R45 PolarHBondContact O-N 3.48Å; R45-D79 IonicContact NH1-OD1 3.81Å; R45-D79 PolarHBondContact NH1-OD1 3.36Å | ||
| 46 | G | 72.4 | Confident | 60.6 | Low | 15 Ų | 15 | 87.4 Ų | 87.4 | 16% | 0.155 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 131.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K44 L86 | K44-G46 PolarHBondContact O-N 2.87Å; G46-L86 PolarHBondContact O-N 3.4Å |
| 47 | L | 83.9 | Confident | 60.7 | Low | 3 Ų | 3 | 85 Ų | 85 | 2% | 0.016 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 127.7 | 156.3 | 176.8 | 65.2 | 0 | 0 | 0 | 106.7 | Q69 L72 E73 L86 | L47-Q69 HydrophobicContact CB-CG 4.39Å; L47-Q69 VanDerWaalsContact O-CG 3.31Å; L47-Q69 WeakPolarHBondContact O-CG 3.47Å; L47-Q69 PolarHBondContact O-NE2 3.08Å; L47-Q69 VanDerWaalsContact O-NE2 3.11Å; L47-Q69 PolarHBondContact O-OE1 3.14Å; L47-L72 HydrophobicContact CD2-CB 3.49Å; L47-L72 VanDerWaalsContact CD2-CB 3.49Å; L47-L72 HydrophobicContact CD2-CD1 4.24Å; L47-E73 HydrophobicContact CB-CG 4.45Å; L47-L86 CarbonylContact C-O 3.37Å; L47-L86 WeakPolarHBondContact CA-O 3.25Å; L47-L86 HydrophobicContact CD1-CB 3.88Å |
| 48 | L | 86.8 | Confident | 60.9 | Low | 66 Ų | 66 | 83.5 Ų | 83.5 | 35% | 0.346 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.6 | 168.9 | 178.9 | 66.2 | 0 | 0 | 0 | 107.1 | Q85 L86 E87 A88 | L48-Q85 HydrophobicContact CB-CG 4.49Å; L48-L86 PolarHBondContact N-O 3.18Å; L48-E87 HydrophobicContact CD2-CG 4.22Å; L48-E87 HydrophobicContact CG-CG 4.48Å; L48-E87 CarbonylContact O-C 3.59Å; L48-E87 VanDerWaalsContact O-CA 3.3Å; L48-E87 WeakPolarHBondContact O-CA 2.73Å; L48-A88 PolarHBondContact O-N 2.73Å |
| 49 | C | 83.9 | Confident | 61.2 | Low | 10 Ų | 10 | 82.5 Ų | 82.5 | 7% | 0.068 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.2 | 171 | -62.7 | 0 | 0 | 0 | 0 | 108.4 | L68 Q69 A88 | C49-L68 HydrophobicContact CB-CB 4.19Å; C49-Q69 HydrophobicContact CB-CB 4.23Å; C49-Q69 VanDerWaalsContact SG-CA 3.6Å; C49-A88 CarbonylContact C-O 3.57Å; C49-A88 WeakPolarHBondContact CA-O 3.33Å |
| 50 | D | 84.9 | Confident | 61.6 | Low | 44 Ų | 44 | 86.1 Ų | 86.1 | 24% | 0.235 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.4 | 169.4 | -178.7 | 47 | 0 | 0 | 0 | 108.2 | R52 A88 S89 E90 | D50-R52 IonicContact OD1-NE 2.79Å; D50-R52 IonicContact OD2-CZ 3.09Å; D50-R52 IonicContact OD2-NE 3.61Å; D50-R52 PolarHBondContact OD2-NE 3.31Å; D50-R52 IonicContact OD2-NH2 3.23Å; D50-R52 PolarHBondContact OD2-NH2 3.03Å; D50-A88 PolarHBondContact N-O 2.8Å; D50-S89 VanDerWaalsContact O-CA 3.27Å; D50-S89 WeakPolarHBondContact O-CA 3.28Å; D50-E90 PolarHBondContact O-N 3.25Å |
| 51 | F | 82.6 | Confident | 62.4 | Low | 23 Ų | 23 | 90 Ų | 90 | 10% | 0.101 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132.7 | -174.8 | 171.8 | -100.5 | 0 | 0 | 0 | 110.3 | H53 P64 A65 E90 L92 E103 | F51-H53 AromaticContact CE1-CD2 3.06Å; F51-H53 WeakPolarHBondContact CE1-CD2 3.14Å; F51-H53 AromaticContact CE1-NE2 2.95Å; F51-H53 WeakPolarHBondContact CE1-NE2 3.36Å; F51-H53 AromaticContact CZ-CD2 3.24Å; F51-H53 WeakPolarHBondContact CZ-CD2 3.23Å; F51-H53 AromaticContact CZ-CE1 3.92Å; F51-H53 AromaticContact CZ-NE2 3.11Å; F51-H53 WeakPolarHBondContact CZ-NE2 3.5Å; F51-P64 HydrophobicContact CD1-CB 3.81Å; F51-P64 HydrophobicContact CD1-CG 3.25Å; F51-P64 HydrophobicContact CE1-CB 4Å; F51-P64 HydrophobicContact CE1-CG 3.57Å; F51-P64 HydrophobicContact CG-CB 4.5Å; F51-P64 HydrophobicContact CG-CG 4.25Å; F51-A65 HydrophobicContact CB-CB 4.41Å; F51-E90 HydrophobicContact CD2-CB 4.15Å; F51-L92 HydrophobicContact CE2-CB 3.91Å; F51-L92 HydrophobicContact CZ-CB 3.97Å; F51-L92 HydrophobicContact CZ-CD2 4.45Å; F51-E103 HydrophobicContact CD2-CG 4.12Å; F51-E103 HydrophobicContact CE2-CG 3.46Å; F51-E103 VanDerWaalsContact CE2-CG 3.46Å; F51-E103 WeakPolarHBondContact CE2-OE1 3.34Å; F51-E103 HydrophobicContact CZ-CG 3.91Å; F51-E103 WeakPolarHBondContact CZ-OE1 3.23Å; F51-E103 WeakPolarHBondContact CZ-OE2 3.42Å |
| 52 | R | 83.1 | Confident | 62.9 | Low | 156 Ų | 156 | 89.1 Ų | 89.1 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.1 | -175.9 | -54.4 | -174.6 | -160 | -137.7 | 3.9 | 109.8 | D50 E90 L91 L92 | D50-R52 IonicContact OD1-NE 2.79Å; D50-R52 IonicContact OD2-CZ 3.09Å; D50-R52 IonicContact OD2-NE 3.61Å; D50-R52 PolarHBondContact OD2-NE 3.31Å; D50-R52 IonicContact OD2-NH2 3.23Å; D50-R52 PolarHBondContact OD2-NH2 3.03Å; R52-E90 PolarHBondContact N-O 3.41Å; R52-L91 HydrophobicContact CB-CD1 3.97Å; R52-L91 CarbonylContact O-C 3.57Å; R52-L91 VanDerWaalsContact O-CA 3.28Å; R52-L91 WeakPolarHBondContact O-CA 3.44Å; R52-L92 PolarHBondContact O-N 3.32Å |
| 53 | H | 79.1 | Confident | 63.8 | Low | 98 Ų | 98 | 91.6 Ų | 91.6 | 45% | 0.454 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 142.9 | 164.4 | -71.4 | -123.3 | 0 | 0 | 0 | 109.2 | F51 | F51-H53 AromaticContact CE1-CD2 3.06Å; F51-H53 WeakPolarHBondContact CE1-CD2 3.14Å; F51-H53 AromaticContact CE1-NE2 2.95Å; F51-H53 WeakPolarHBondContact CE1-NE2 3.36Å; F51-H53 AromaticContact CZ-CD2 3.24Å; F51-H53 WeakPolarHBondContact CZ-CD2 3.23Å; F51-H53 AromaticContact CZ-CE1 3.92Å; F51-H53 AromaticContact CZ-NE2 3.11Å; F51-H53 WeakPolarHBondContact CZ-NE2 3.5Å |
| 54 | A | 78.6 | Confident | 65.1 | Low | 19 Ų | 19 | 86.4 Ų | 86.4 | 16% | 0.157 | 50% | 0.496 | C | S | . | . | trans | -57.5 | 139 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | T56 L91 L92 L93 | A54-T56 PolarHBondContact O-N 3.42Å; A54-T56 PolarHBondContact O-OG1 3.04Å; A54-L91 HydrophobicContact CB-CD1 4.41Å; A54-L92 WeakPolarHBondContact CB-O 3.43Å; A54-L92 PolarHBondContact N-O 2.92Å; A54-L93 HydrophobicContact CB-CD2 4.49Å | ||
| 55 | P | 62.8 | Low | 66.6 | Low | 138 Ų | 138 | 81.8 Ų | 81.8 | 90% | 0.896 | 48% | 0.48 | S | S | * | . | trans | -65.5 | 94.5 | -173.9 | 24.4 | -32.3 | 0 | 0 | 0 | 110.6 | ||||
| 56 | T | 55.5 | Low | 67.9 | Low | 117 Ų | 117 | 81.7 Ų | 81.7 | 72% | 0.718 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -121.5 | 51.1 | 177.6 | -32.6 | 0 | 0 | 0 | 0 | 108.5 | A54 G58 | A54-T56 PolarHBondContact O-N 3.42Å; A54-T56 PolarHBondContact O-OG1 3.04Å; T56-G58 PolarHBondContact O-N 2.78Å |
| 57 | G | 46.7 | Very low | 68.6 | Low | 94 Ų | 94 | 82 Ų | 82 | 97% | 0.969 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 60.3 | 11.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 58 | G | 40.8 | Very low | 68.9 | Low | 65 Ų | 65 | 81.9 Ų | 81.9 | 67% | 0.67 | 48% | 0.484 | S | S | * | . | trans | -121.5 | 140.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T56 | T56-G58 PolarHBondContact O-N 2.78Š| ||
| 59 | G | 41.3 | Very low | 69.1 | Low | 75 Ų | 75 | 81.2 Ų | 81.2 | 77% | 0.773 | 48% | 0.48 | S | S | * | . | trans | -62.4 | 156.1 | -170 | 0 | 0 | 0 | 0 | 0 | 114.8 | E61 | G59-E61 PolarHBondContact O-N 2.76Å; G59-E61 VanDerWaalsContact O-N 3.17Å | ||
| 60 | E | 45.2 | Very low | 69.4 | Low | 199 Ų | 199 | 84.2 Ų | 84.2 | 93% | 0.93 | 49% | 0.493 | S | S | * | . | trans | -59.1 | 112.7 | 169.5 | -59.6 | 179.5 | 122.2 | 0 | 0 | 108.9 | P62 | E60-P62 WeakPolarHBondContact O-CD 3.36Š| ||
| 61 | E | 50 | Low | 69.8 | Low | 160 Ų | 160 | 82.1 Ų | 82.1 | 75% | 0.748 | 48% | 0.481 | S | S | * | . | trans | -84.9 | 116.7 | 162.5 | -78.3 | -165 | 156.4 | 0 | 0 | 108.2 | G59 E63 P64 | G59-E61 PolarHBondContact O-N 2.76Å; G59-E61 VanDerWaalsContact O-N 3.17Å; E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 PolarHBondContact O-N 3.13Å; E61-P64 WeakPolarHBondContact O-CD 3.36Å | ||
| 62 | P | 48.9 | Very low | 70.3 | Confident | 117 Ų | 117 | 81 Ų | 81 | 76% | 0.76 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -83.3 | 8.9 | -172.3 | 31.7 | -34.9 | 0 | 0 | 0 | 115 | E60 | E60-P62 WeakPolarHBondContact O-CD 3.36Š|
| 63 | E | 62.4 | Low | 70.7 | Confident | 154 Ų | 154 | 76.9 Ų | 76.9 | 72% | 0.72 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -95.5 | -20.9 | -176 | -60.6 | -162.8 | 158.8 | 0 | 0 | 118.5 | E61 A65 V67 | E61-E63 VanDerWaalsContact C-N 3.3Å; E61-E63 PolarHBondContact O-N 3.13Å; E63-A65 PolarHBondContact O-N 2.96Å; E63-V67 WeakPolarHBondContact O-CG2 3.39Å |
| 64 | P | 69.9 | Low | 71.3 | Confident | 18 Ų | 18 | 74.9 Ų | 74.9 | 12% | 0.117 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -71.9 | -35.1 | -171.4 | 27.8 | -34.7 | 0 | 0 | 0 | 113.4 | F51 E61 M66 V67 L68 L100 | F51-P64 HydrophobicContact CD1-CB 3.81Å; F51-P64 HydrophobicContact CD1-CG 3.25Å; F51-P64 HydrophobicContact CE1-CB 4Å; F51-P64 HydrophobicContact CE1-CG 3.57Å; F51-P64 HydrophobicContact CG-CB 4.5Å; F51-P64 HydrophobicContact CG-CG 4.25Å; E61-P64 WeakPolarHBondContact O-CD 3.36Å; P64-M66 VanDerWaalsContact C-N 3.33Å; P64-M66 PolarHBondContact O-N 3.48Å; P64-V67 WeakPolarHBondContact O-CB 3.47Å; P64-V67 PolarHBondContact O-N 3.09Å; P64-V67 VanDerWaalsContact O-N 3.13Å; P64-L68 WeakPolarHBondContact O-CD1 3.27Å; P64-L68 PolarHBondContact O-N 2.84Å; P64-L100 HydrophobicContact CB-CD1 4.22Å |
| 65 | A | 81.7 | Confident | 72 | Confident | 25 Ų | 25 | 74 Ų | 74 | 21% | 0.207 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.3 | -39.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F51 E63 Q69 | F51-A65 HydrophobicContact CB-CB 4.41Å; E63-A65 PolarHBondContact O-N 2.96Å; A65-Q69 WeakPolarHBondContact O-CB 3.33Å; A65-Q69 PolarHBondContact O-N 2.8Å |
| 66 | M | 84.9 | Confident | 73.4 | Confident | 119 Ų | 119 | 67.8 Ų | 67.8 | 59% | 0.586 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 175.7 | -73.1 | -176.3 | 59.2 | 0 | 0 | 111 | P64 L68 Q69 E70 | P64-M66 VanDerWaalsContact C-N 3.33Å; P64-M66 PolarHBondContact O-N 3.48Å; M66-L68 VanDerWaalsContact C-N 3.35Å; M66-L68 PolarHBondContact O-N 3.49Å; M66-Q69 PolarHBondContact O-N 2.89Å; M66-E70 WeakPolarHBondContact O-CB 3.47Å; M66-E70 VanDerWaalsContact O-CG 3.3Å; M66-E70 WeakPolarHBondContact O-CG 3.44Å; M66-E70 PolarHBondContact O-N 3.3Å |
| 67 | V | 88.6 | Confident | 75.1 | Confident | 21 Ų | 21 | 63 Ų | 63 | 13% | 0.127 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 178.2 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | E63 P64 E70 A71 L100 R166 L168 | E63-V67 WeakPolarHBondContact O-CG2 3.39Å; P64-V67 WeakPolarHBondContact O-CB 3.47Å; P64-V67 PolarHBondContact O-N 3.09Å; P64-V67 VanDerWaalsContact O-N 3.13Å; V67-E70 PolarHBondContact O-N 2.99Å; V67-A71 VanDerWaalsContact O-CB 3.29Å; V67-A71 WeakPolarHBondContact O-CB 3.1Å; V67-A71 PolarHBondContact O-N 3.36Å; V67-L100 HydrophobicContact CB-CD1 4.43Å; V67-L100 HydrophobicContact CG1-CD1 4.02Å; V67-L100 HydrophobicContact CG1-CD2 4.01Å; V67-L100 HydrophobicContact CG1-CG 4.48Å; V67-R166 HydrophobicContact CG1-CG 4.05Å; V67-L168 HydrophobicContact CB-CD1 4.19Å; V67-L168 HydrophobicContact CG1-CD1 3.46Å; V67-L168 VanDerWaalsContact CG1-CD1 3.46Å; V67-L168 HydrophobicContact CG1-CG 4.31Å; V67-L168 HydrophobicContact CG2-CD1 3.66Å |
| 68 | L | 89.4 | Confident | 77 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.3 | -52.5 | 175.8 | -96.4 | 72 | 0 | 0 | 0 | 110.9 | C49 P64 M66 E70 A71 L72 L100 E103 L104 A107 | C49-L68 HydrophobicContact CB-CB 4.19Å; P64-L68 WeakPolarHBondContact O-CD1 3.27Å; P64-L68 PolarHBondContact O-N 2.84Å; M66-L68 VanDerWaalsContact C-N 3.35Å; M66-L68 PolarHBondContact O-N 3.49Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 3.09Å; L68-A71 PolarHBondContact O-N 3.37Å; L68-L72 WeakPolarHBondContact O-CB 3.36Å; L68-L72 WeakPolarHBondContact O-CD1 3.45Å; L68-L72 VanDerWaalsContact O-CG 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.48Å; L68-L72 PolarHBondContact O-N 3.15Å; L68-L100 HydrophobicContact CD1-CD1 3.64Å; L68-E103 HydrophobicContact CD1-CB 4.14Å; L68-E103 HydrophobicContact CD2-CB 4.22Å; L68-L104 HydrophobicContact CB-CD2 4.46Å; L68-L104 HydrophobicContact CD1-CD2 4.42Å; L68-L104 HydrophobicContact CD1-CG 4.31Å; L68-L104 HydrophobicContact CG-CD2 4.02Å; L68-L104 HydrophobicContact CG-CG 4.31Å; L68-A107 HydrophobicContact CD2-CB 4.4Å |
| 69 | Q | 90.6 | Very high | 79.2 | Confident | 53 Ų | 53 | 63.4 Ų | 63.4 | 25% | 0.248 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.7 | -51.8 | 179.1 | 179.6 | -177.1 | -24.6 | 0 | 0 | 110.6 | L47 C49 A65 M66 A71 L72 E73 | L47-Q69 HydrophobicContact CB-CG 4.39Å; L47-Q69 VanDerWaalsContact O-CG 3.31Å; L47-Q69 WeakPolarHBondContact O-CG 3.47Å; L47-Q69 PolarHBondContact O-NE2 3.08Å; L47-Q69 VanDerWaalsContact O-NE2 3.11Å; L47-Q69 PolarHBondContact O-OE1 3.14Å; C49-Q69 HydrophobicContact CB-CB 4.23Å; C49-Q69 VanDerWaalsContact SG-CA 3.6Å; A65-Q69 WeakPolarHBondContact O-CB 3.33Å; A65-Q69 PolarHBondContact O-N 2.8Å; M66-Q69 PolarHBondContact O-N 2.89Å; Q69-A71 VanDerWaalsContact C-N 3.25Å; Q69-A71 PolarHBondContact O-N 2.88Å; Q69-L72 PolarHBondContact O-N 3.29Å; Q69-E73 HydrophobicContact CG-CG 4.19Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.41Å; Q69-E73 PolarHBondContact NE2-OE1 3.14Å; Q69-E73 WeakPolarHBondContact O-CB 3.48Å; Q69-E73 VanDerWaalsContact O-CG 3.27Å; Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 3.11Å |
| 70 | E | 90.8 | Very high | 81.3 | Confident | 72 Ų | 72 | 67.2 Ų | 67.2 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -25.3 | -178.3 | -86.6 | -170.8 | -157.2 | 0 | 0 | 114.3 | M66 V67 L68 R166 | M66-E70 WeakPolarHBondContact O-CB 3.47Å; M66-E70 VanDerWaalsContact O-CG 3.3Å; M66-E70 WeakPolarHBondContact O-CG 3.44Å; M66-E70 PolarHBondContact O-N 3.3Å; V67-E70 PolarHBondContact O-N 2.99Å; L68-E70 VanDerWaalsContact C-N 3.33Å; L68-E70 PolarHBondContact O-N 3.09Å; E70-R166 VanDerWaalsContact CB-NH2 3.34Å; E70-R166 PolarHBondContact O-NH2 2.85Å; E70-R166 IonicContact OE2-CZ 3.01Å; E70-R166 IonicContact OE2-NH1 3.49Å; E70-R166 PolarHBondContact OE2-NH1 3.08Å; E70-R166 IonicContact OE2-NH2 2.59Å; E70-R166 PolarHBondContact OE2-NH2 3.3Å |
| 71 | A | 92.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -85.9 | -31.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V67 L68 Q69 P74 L104 A165 R166 | V67-A71 VanDerWaalsContact O-CB 3.29Å; V67-A71 WeakPolarHBondContact O-CB 3.1Å; V67-A71 PolarHBondContact O-N 3.36Å; L68-A71 PolarHBondContact O-N 3.37Å; Q69-A71 VanDerWaalsContact C-N 3.25Å; Q69-A71 PolarHBondContact O-N 2.88Å; A71-P74 WeakPolarHBondContact O-CD 3.43Å; A71-P74 WeakPolarHBondContact O-CG 3.27Å; A71-L104 HydrophobicContact CB-CD1 4.46Å; A71-L104 HydrophobicContact CB-CD2 3.42Å; A71-L104 VanDerWaalsContact CB-CD2 3.42Å; A71-A165 WeakPolarHBondContact O-CB 3.32Å; A71-R166 HydrophobicContact CB-CB 3.79Å; A71-R166 HydrophobicContact CB-CG 4.4Å |
| 72 | L | 93.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -87.1 | -30.8 | -177.8 | -68.5 | 165 | 0 | 0 | 0 | 112.8 | L47 L68 Q69 A75 M76 A107 K108 L111 V122 | L47-L72 HydrophobicContact CD2-CB 3.49Å; L47-L72 VanDerWaalsContact CD2-CB 3.49Å; L47-L72 HydrophobicContact CD2-CD1 4.24Å; L68-L72 WeakPolarHBondContact O-CB 3.36Å; L68-L72 WeakPolarHBondContact O-CD1 3.45Å; L68-L72 VanDerWaalsContact O-CG 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.48Å; L68-L72 PolarHBondContact O-N 3.15Å; Q69-L72 PolarHBondContact O-N 3.29Å; L72-A75 WeakPolarHBondContact O-CA 3.43Å; L72-A75 WeakPolarHBondContact O-CB 3.32Å; L72-A75 PolarHBondContact O-N 2.92Å; L72-M76 WeakPolarHBondContact O-CG 3.24Å; L72-M76 PolarHBondContact O-N 3.02Å; L72-A107 HydrophobicContact CD1-CB 3.52Å; L72-A107 HydrophobicContact CD2-CB 4.31Å; L72-A107 HydrophobicContact CG-CB 4.49Å; L72-K108 HydrophobicContact CD2-CB 4.16Å; L72-L111 HydrophobicContact CD1-CD1 4.24Å; L72-L111 HydrophobicContact CD2-CD1 4.38Å; L72-V122 HydrophobicContact CD2-CB 4.41Å; L72-V122 HydrophobicContact CD2-CG2 3.94Å |
| 73 | E | 91.5 | Very high | 86.4 | Confident | 70 Ų | 70 | 56.4 Ų | 56.4 | 33% | 0.327 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -45.7 | -49.9 | 176.7 | -85.8 | 178.6 | 179.8 | 0 | 0 | 114.4 | L47 Q69 A75 M76 L78 | L47-E73 HydrophobicContact CB-CG 4.45Å; Q69-E73 HydrophobicContact CG-CG 4.19Å; Q69-E73 WeakPolarHBondContact CG-OE1 3.41Å; Q69-E73 PolarHBondContact NE2-OE1 3.14Å; Q69-E73 WeakPolarHBondContact O-CB 3.48Å; Q69-E73 VanDerWaalsContact O-CG 3.27Å; Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 3.11Å; E73-A75 PolarHBondContact O-N 3.27Å; E73-M76 PolarHBondContact O-N 3.29Å; E73-L78 HydrophobicContact CG-CD1 4.38Å |
| 74 | P | 91.9 | Very high | 87.3 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -69.1 | -21.3 | 178.6 | 27.6 | -36.3 | 0 | 0 | 0 | 113.8 | A71 M76 L158 A165 | A71-P74 WeakPolarHBondContact O-CD 3.43Å; A71-P74 WeakPolarHBondContact O-CG 3.27Å; P74-M76 VanDerWaalsContact C-N 3.34Å; P74-L158 HydrophobicContact CB-CD1 3.98Å; P74-L158 HydrophobicContact CG-CD1 4.11Å; P74-A165 HydrophobicContact CG-CB 4.22Å |
| 75 | A | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -76.9 | -22.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L72 E73 M118 N119 V122 L158 | L72-A75 WeakPolarHBondContact O-CA 3.43Å; L72-A75 WeakPolarHBondContact O-CB 3.32Å; L72-A75 PolarHBondContact O-N 2.92Å; E73-A75 PolarHBondContact O-N 3.27Å; A75-M118 HydrophobicContact CB-CE 4.09Å; A75-M118 CarbonylContact O-C 3.58Å; A75-M118 VanDerWaalsContact O-CA 3.27Å; A75-M118 WeakPolarHBondContact O-CA 3.44Å; A75-N119 PolarHBondContact O-N 3.36Å; A75-V122 HydrophobicContact CB-CG2 3.68Å; A75-L158 HydrophobicContact CB-CD2 3.6Å |
| 76 | M | 92.1 | Very high | 88.2 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -95.3 | 141.7 | -170.7 | -64.9 | -66.7 | -70.7 | 0 | 0 | 112.6 | L72 E73 P74 L78 L86 L111 M116 M118 | L72-M76 WeakPolarHBondContact O-CG 3.24Å; L72-M76 PolarHBondContact O-N 3.02Å; E73-M76 PolarHBondContact O-N 3.29Å; P74-M76 VanDerWaalsContact C-N 3.34Å; M76-L78 HydrophobicContact CB-CD2 3.86Å; M76-L78 HydrophobicContact CB-CG 3.96Å; M76-L78 PolarHBondContact O-N 2.8Å; M76-L86 HydrophobicContact CE-CD1 3.45Å; M76-L86 VanDerWaalsContact CE-CD1 3.45Å; M76-L111 HydrophobicContact CE-CD1 4.43Å; M76-L111 HydrophobicContact CE-CD2 4.35Å; M76-L111 HydrophobicContact SD-CD1 3.96Å; M76-M116 HydrophobicContact CE-CB 3.8Å; M76-M116 HydrophobicContact CE-CG 4.22Å; M76-M118 HydrophobicContact SD-CE 4.14Å; M76-M118 HydrophobicContact SD-CG 3.7Å; M76-M118 HydrophobicContact SD-SD 4.29Å |
| 77 | C | 90.7 | Very high | 88.4 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | trans | -81.5 | 60.1 | 172.6 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | D79 R80 Y81 E117 N119 | C77-D79 PolarHBondContact O-N 3.36Å; C77-R80 HydrophobicContact CB-CG 4.08Å; C77-R80 WeakPolarHBondContact O-CB 3.41Å; C77-R80 PolarHBondContact O-N 3.29Å; C77-Y81 WeakPolarHBondContact O-CD2 3.42Å; C77-E117 HydrophobicContact CB-CB 4.1Å; C77-E117 HydrophobicContact CB-CG 4.07Å; C77-E117 WeakPolarHBondContact CB-O 3.43Å; C77-E117 PolarHBondContact N-O 2.89Å; C77-N119 PolarHBondContact SG-OD1 3.25Å | ||
| 78 | L | 86.4 | Confident | 88.2 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -58.6 | -20 | -174.8 | -62.2 | 179.7 | 0 | 0 | 0 | 113.9 | E73 M76 R80 Y81 L86 | E73-L78 HydrophobicContact CG-CD1 4.38Å; M76-L78 HydrophobicContact CB-CD2 3.86Å; M76-L78 HydrophobicContact CB-CG 3.96Å; M76-L78 PolarHBondContact O-N 2.8Å; L78-R80 PolarHBondContact O-N 2.97Å; L78-Y81 CarbonylContact O-C 3.58Å; L78-Y81 PolarHBondContact O-N 3.1Å; L78-Y81 VanDerWaalsContact O-N 3.09Å; L78-L86 HydrophobicContact CD2-CD1 4.29Å |
| 79 | D | 87 | Confident | 88.1 | Confident | 131 Ų | 131 | 60.7 Ų | 60.7 | 70% | 0.701 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -63.7 | -24.2 | 173.7 | -73.5 | -41.5 | 0 | 0 | 0 | 114.4 | R45 C77 Y81 | R45-D79 IonicContact NH1-OD1 3.81Å; R45-D79 PolarHBondContact NH1-OD1 3.36Å; C77-D79 PolarHBondContact O-N 3.36Å; D79-Y81 PolarHBondContact O-N 2.68Å |
| 80 | R | 86.5 | Confident | 88 | Confident | 155 Ų | 155 | 59.2 Ų | 59.2 | 59% | 0.585 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -79.3 | -10.8 | 176.3 | -57.2 | -63.6 | -68.3 | -84.3 | -15 | 112.5 | C77 L78 P82 E117 | C77-R80 HydrophobicContact CB-CG 4.08Å; C77-R80 WeakPolarHBondContact O-CB 3.41Å; C77-R80 PolarHBondContact O-N 3.29Å; L78-R80 PolarHBondContact O-N 2.97Å; R80-P82 VanDerWaalsContact C-CD 3.41Å; R80-P82 WeakPolarHBondContact O-CD 2.93Å; R80-E117 IonicContact CZ-OE1 3.99Å; R80-E117 IonicContact CZ-OE2 2.7Å; R80-E117 IonicContact NE-OE2 3.56Å; R80-E117 IonicContact NH1-OE1 3.13Å; R80-E117 PolarHBondContact NH1-OE1 2.99Å; R80-E117 IonicContact NH1-OE2 3.54Å; R80-E117 PolarHBondContact NH1-OE2 2.87Å; R80-E117 VanDerWaalsContact NH1-OE2 3.11Å; R80-E117 IonicContact NH2-OE2 3.4Å; R80-E117 PolarHBondContact NH2-OE2 2.86Å |
| 81 | Y | 85.6 | Confident | 87.9 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 21% | 0.212 | 31% | 0.307 | C | S | . | . | trans | -127.2 | 55.5 | -172.7 | -58.5 | -74.7 | 0 | 0 | 0 | 112.2 | C77 L78 D79 H83 V84 L86 E117 | C77-Y81 WeakPolarHBondContact O-CD2 3.42Å; L78-Y81 CarbonylContact O-C 3.58Å; L78-Y81 PolarHBondContact O-N 3.1Å; L78-Y81 VanDerWaalsContact O-N 3.09Å; D79-Y81 PolarHBondContact O-N 2.68Å; Y81-H83 VanDerWaalsContact C-N 3.26Å; Y81-H83 PolarHBondContact O-N 2.73Å; Y81-V84 HydrophobicContact CD1-CB 4.49Å; Y81-V84 PolarHBondContact O-N 3.07Å; Y81-L86 HydrophobicContact CD2-CD1 4.46Å; Y81-E117 HydrophobicContact CE2-CB 4.38Å; Y81-E117 PolarHBondContact OH-N 3.31Å | ||
| 82 | P | 80.8 | Confident | 87.7 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 28% | 0.279 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.4 | -169.7 | 28.9 | -37.7 | 0 | 0 | 0 | 115.2 | R80 | R80-P82 VanDerWaalsContact C-CD 3.41Å; R80-P82 WeakPolarHBondContact O-CD 2.93Å |
| 83 | H | 84.4 | Confident | 87.6 | Confident | 152 Ų | 152 | 67.9 Ų | 67.9 | 70% | 0.704 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.3 | 14 | -177.3 | -55.6 | -52.6 | 0 | 0 | 0 | 112.4 | L43 Y81 | L43-H83 HydrophobicContact CD2-CB 4.08Å; L43-H83 WeakPolarHBondContact CD2-ND1 3.35Å; Y81-H83 VanDerWaalsContact C-N 3.26Å; Y81-H83 PolarHBondContact O-N 2.73Å |
| 84 | V | 81.4 | Confident | 87.4 | Confident | 75 Ų | 75 | 72.5 Ų | 72.5 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | trans | -115.2 | 137.9 | -177 | 178 | 0 | 0 | 0 | 0 | 108.4 | Y81 L86 | Y81-V84 HydrophobicContact CD1-CB 4.49Å; Y81-V84 PolarHBondContact O-N 3.07Å; V84-L86 HydrophobicContact CG1-CD2 3.88Å | ||
| 85 | Q | 84.9 | Confident | 87.3 | Confident | 132 Ų | 132 | 71.6 Ų | 71.6 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.5 | 168.2 | -173.3 | 172.9 | 8.7 | 0 | 0 | 107.8 | L48 | L48-Q85 HydrophobicContact CB-CG 4.49Å |
| 86 | L | 86.3 | Confident | 87.1 | Confident | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128 | 176.8 | -58.8 | -180 | 0 | 0 | 0 | 107.7 | G46 L47 L48 M76 L78 Y81 V84 M116 | G46-L86 PolarHBondContact O-N 3.4Å; L47-L86 CarbonylContact C-O 3.37Å; L47-L86 WeakPolarHBondContact CA-O 3.25Å; L47-L86 HydrophobicContact CD1-CB 3.88Å; L48-L86 PolarHBondContact N-O 3.18Å; M76-L86 HydrophobicContact CE-CD1 3.45Å; M76-L86 VanDerWaalsContact CE-CD1 3.45Å; L78-L86 HydrophobicContact CD2-CD1 4.29Å; Y81-L86 HydrophobicContact CD2-CD1 4.46Å; V84-L86 HydrophobicContact CG1-CD2 3.88Å; L86-M116 HydrophobicContact CD1-SD 4.33Å; L86-M116 HydrophobicContact CD2-CE 3.58Å; L86-M116 HydrophobicContact CD2-SD 3.86Å |
| 87 | E | 87.7 | Confident | 87 | Confident | 129 Ų | 129 | 74.1 Ų | 74.1 | 60% | 0.603 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 121.3 | 177.5 | -171.3 | 172.7 | -169.3 | 0 | 0 | 109.4 | L48 | L48-E87 HydrophobicContact CD2-CG 4.22Å; L48-E87 HydrophobicContact CG-CG 4.48Å; L48-E87 CarbonylContact O-C 3.59Å; L48-E87 VanDerWaalsContact O-CA 3.3Å; L48-E87 WeakPolarHBondContact O-CA 2.73Å |
| 88 | A | 85.7 | Confident | 87 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 7% | 0.074 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | L48 C49 D50 L111 | L48-A88 PolarHBondContact O-N 2.73Å; C49-A88 CarbonylContact C-O 3.57Å; C49-A88 WeakPolarHBondContact CA-O 3.33Å; D50-A88 PolarHBondContact N-O 2.8Å; A88-L111 HydrophobicContact CB-CD2 4.38Å |
| 89 | S | 87.6 | Confident | 87.2 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.6 | -179.7 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | D50 | D50-S89 VanDerWaalsContact O-CA 3.27Å; D50-S89 WeakPolarHBondContact O-CA 3.28Å |
| 90 | E | 87.8 | Confident | 87.3 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.2 | -177.7 | -77 | 165.3 | -117.1 | 0 | 0 | 112 | D50 F51 R52 T106 A107 | D50-E90 PolarHBondContact O-N 3.25Å; F51-E90 HydrophobicContact CD2-CB 4.15Å; R52-E90 PolarHBondContact N-O 3.41Å; E90-T106 HydrophobicContact CG-CG2 4.4Å; E90-T106 WeakPolarHBondContact OE2-CB 3.44Å; E90-A107 WeakPolarHBondContact OE1-CA 3.28Å; E90-A107 WeakPolarHBondContact OE1-CB 3.07Å; E90-A107 PolarHBondContact OE1-N 3.41Å; E90-A107 PolarHBondContact OE2-N 2.96Å |
| 91 | L | 89.5 | Confident | 87.7 | Confident | 101 Ų | 101 | 60.3 Ų | 60.3 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 108.3 | 176.3 | 179.6 | 66 | 0 | 0 | 0 | 109.2 | R52 A54 L93 | R52-L91 HydrophobicContact CB-CD1 3.97Å; R52-L91 CarbonylContact O-C 3.57Å; R52-L91 VanDerWaalsContact O-CA 3.28Å; R52-L91 WeakPolarHBondContact O-CA 3.44Å; A54-L91 HydrophobicContact CB-CD1 4.41Å; L91-L93 HydrophobicContact CD2-CD2 3.77Å; L91-L93 HydrophobicContact CG-CD2 3.98Å; L91-L93 PolarHBondContact O-N 3.26Å |
| 92 | L | 88.1 | Confident | 88 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 113.1 | 172 | -171.9 | 67.2 | 0 | 0 | 0 | 109.4 | F51 R52 A54 E94 D95 A99 | F51-L92 HydrophobicContact CE2-CB 3.91Å; F51-L92 HydrophobicContact CZ-CB 3.97Å; F51-L92 HydrophobicContact CZ-CD2 4.45Å; R52-L92 PolarHBondContact O-N 3.32Å; A54-L92 WeakPolarHBondContact CB-O 3.43Å; A54-L92 PolarHBondContact N-O 2.92Å; L92-E94 WeakPolarHBondContact CD1-O 3.21Å; L92-D95 HydrophobicContact CD2-CB 3.91Å; L92-A99 HydrophobicContact CD2-CB 4Å |
| 93 | L | 89.8 | Confident | 88.5 | Confident | 131 Ų | 131 | 59 Ų | 59 | 69% | 0.686 | 32% | 0.322 | S | S | * | . | trans | -81.3 | -40.8 | -178.2 | -61.9 | 178 | 0 | 0 | 0 | 112.4 | A54 L91 | A54-L93 HydrophobicContact CB-CD2 4.49Å; L91-L93 HydrophobicContact CD2-CD2 3.77Å; L91-L93 HydrophobicContact CG-CD2 3.98Å; L91-L93 PolarHBondContact O-N 3.26Å | ||
| 94 | E | 88.8 | Confident | 89 | Confident | 167 Ų | 167 | 51.9 Ų | 51.9 | 78% | 0.78 | 29% | 0.289 | S | S | * | . | trans | -147.5 | 138.5 | -179 | -177.3 | 177.2 | 176.9 | 0 | 0 | 108.1 | L92 | L92-E94 WeakPolarHBondContact CD1-O 3.21Š| ||
| 95 | D | 89.1 | Confident | 89.6 | Confident | 37 Ų | 37 | 50.2 Ų | 50.2 | 20% | 0.198 | 28% | 0.278 | C | S | . | . | trans | -104.6 | 102.1 | 176.5 | -177 | -12.9 | 0 | 0 | 0 | 109.8 | L92 G97 A99 R143 | L92-D95 HydrophobicContact CD2-CB 3.91Å; D95-G97 VanDerWaalsContact C-N 3.34Å; D95-G97 PolarHBondContact OD1-N 2.8Å; D95-A99 WeakPolarHBondContact OD2-CB 3.43Å; D95-R143 PolarHBondContact O-NE 2.98Å; D95-R143 IonicContact OD1-CZ 3.4Å; D95-R143 IonicContact OD1-NE 3.02Å; D95-R143 IonicContact OD1-NH1 2.61Å; D95-R143 IonicContact OD1-NH2 3.14Å; D95-R143 IonicContact OD2-CZ 3.11Å; D95-R143 IonicContact OD2-NH1 2.86Å; D95-R143 PolarHBondContact OD2-NH1 2.88Å; D95-R143 IonicContact OD2-NH2 3.66Å; D95-R143 PolarHBondContact OD2-NH2 3Å | ||
| 96 | G | 89.3 | Confident | 90.1 | Very high | 50 Ų | 50 | 47.2 Ų | 47.2 | 52% | 0.515 | 27% | 0.269 | S | S | . | . | trans | -88.4 | 6.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M142 R143 | G96-M142 CarbonylContact O-C 3.58Å; G96-M142 WeakPolarHBondContact O-CA 3.02Å; G96-R143 PolarHBondContact O-N 2.8Å | ||
| 97 | G | 89.9 | Confident | 90.4 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 110.1 | 153.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D95 A99 | D95-G97 VanDerWaalsContact C-N 3.34Å; D95-G97 PolarHBondContact OD1-N 2.8Å; G97-A99 PolarHBondContact O-N 3.06Å; G97-A99 VanDerWaalsContact O-N 3.17Å |
| 98 | S | 91 | Very high | 90.7 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | trans | 50.6 | 40.2 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | L100 A101 T102 D140 P141 | S98-L100 PolarHBondContact O-N 3.36Å; S98-A101 WeakPolarHBondContact O-CB 3.27Å; S98-A101 PolarHBondContact O-N 2.86Å; S98-T102 PolarHBondContact O-N 3.31Å; S98-T102 PolarHBondContact O-OG1 3.03Å; S98-D140 WeakPolarHBondContact CB-OD1 3.43Å; S98-D140 PolarHBondContact OG-OD1 2.75Å; S98-P141 WeakPolarHBondContact OG-CD 3.37Å; S98-P141 PolarHBondContact OG-O 3.16Å | ||
| 99 | A | 90.4 | Very high | 91.2 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 12% | 0.116 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -50.5 | -53.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L92 D95 G97 A101 T102 E103 | L92-A99 HydrophobicContact CD2-CB 4Å; D95-A99 WeakPolarHBondContact OD2-CB 3.43Å; G97-A99 PolarHBondContact O-N 3.06Å; G97-A99 VanDerWaalsContact O-N 3.17Å; A99-A101 VanDerWaalsContact C-N 3.25Å; A99-A101 PolarHBondContact O-N 3.33Å; A99-T102 CarbonylContact O-C 3.49Å; A99-T102 WeakPolarHBondContact O-CA 3.32Å; A99-T102 WeakPolarHBondContact O-CB 3.41Å; A99-T102 PolarHBondContact O-N 3.32Å; A99-E103 WeakPolarHBondContact O-CG 3.46Å; A99-E103 PolarHBondContact O-N 3.03Å |
| 100 | L | 89.8 | Confident | 91.5 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -37.3 | -179.9 | -178 | 71.2 | 0 | 0 | 0 | 112.6 | P64 V67 L68 S98 L104 T154 L168 | P64-L100 HydrophobicContact CB-CD1 4.22Å; V67-L100 HydrophobicContact CB-CD1 4.43Å; V67-L100 HydrophobicContact CG1-CD1 4.02Å; V67-L100 HydrophobicContact CG1-CD2 4.01Å; V67-L100 HydrophobicContact CG1-CG 4.48Å; L68-L100 HydrophobicContact CD1-CD1 3.64Å; S98-L100 PolarHBondContact O-N 3.36Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 3.11Å; L100-L104 VanDerWaalsContact O-N 3.11Å; L100-T154 HydrophobicContact CB-CG2 4.4Å; L100-T154 HydrophobicContact CD2-CG2 3.83Å; L100-T154 HydrophobicContact CG-CG2 4.17Å; L100-L168 HydrophobicContact CD2-CD1 3.56Å |
| 101 | A | 93.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | S98 A99 N105 S124 T154 | S98-A101 WeakPolarHBondContact O-CB 3.27Å; S98-A101 PolarHBondContact O-N 2.86Å; A99-A101 VanDerWaalsContact C-N 3.25Å; A99-A101 PolarHBondContact O-N 3.33Å; A101-N105 WeakPolarHBondContact O-CB 2.83Å; A101-N105 VanDerWaalsContact O-CG 3.27Å; A101-N105 PolarHBondContact O-N 2.87Å; A101-N105 VanDerWaalsContact O-N 3.11Å; A101-N105 PolarHBondContact O-ND2 2.83Å; A101-N105 VanDerWaalsContact O-ND2 3.08Å; A101-S124 PolarHBondContact O-OG 3.36Å; A101-T154 HydrophobicContact CB-CG2 4.08Å |
| 102 | T | 92.9 | Very high | 92 | Very high | 62 Ų | 62 | 41.7 Ų | 41.7 | 38% | 0.38 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.2 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | S98 A99 N105 T106 | S98-T102 PolarHBondContact O-N 3.31Å; S98-T102 PolarHBondContact O-OG1 3.03Å; A99-T102 CarbonylContact O-C 3.49Å; A99-T102 WeakPolarHBondContact O-CA 3.32Å; A99-T102 WeakPolarHBondContact O-CB 3.41Å; A99-T102 PolarHBondContact O-N 3.32Å; T102-N105 CarbonylContact O-C 3.55Å; T102-N105 PolarHBondContact O-N 2.96Å; T102-T106 WeakPolarHBondContact O-CB 3.42Å; T102-T106 PolarHBondContact O-N 2.77Å; T102-T106 PolarHBondContact O-OG1 3.02Å |
| 103 | E | 91.6 | Very high | 92.2 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -54.7 | 175.9 | -70.2 | 160.5 | -151.8 | 0 | 0 | 111.2 | F51 L68 A99 N105 T106 A107 | F51-E103 HydrophobicContact CD2-CG 4.12Å; F51-E103 HydrophobicContact CE2-CG 3.46Å; F51-E103 VanDerWaalsContact CE2-CG 3.46Å; F51-E103 WeakPolarHBondContact CE2-OE1 3.34Å; F51-E103 HydrophobicContact CZ-CG 3.91Å; F51-E103 WeakPolarHBondContact CZ-OE1 3.23Å; F51-E103 WeakPolarHBondContact CZ-OE2 3.42Å; L68-E103 HydrophobicContact CD1-CB 4.14Å; L68-E103 HydrophobicContact CD2-CB 4.22Å; A99-E103 WeakPolarHBondContact O-CG 3.46Å; A99-E103 PolarHBondContact O-N 3.03Å; E103-N105 PolarHBondContact O-N 2.64Å; E103-N105 VanDerWaalsContact O-N 3.14Å; E103-T106 CarbonylContact O-C 3.45Å; E103-T106 WeakPolarHBondContact O-CA 3.49Å; E103-T106 WeakPolarHBondContact O-CB 3.23Å; E103-T106 PolarHBondContact O-N 2.96Å; E103-A107 WeakPolarHBondContact O-CB 3.49Å; E103-A107 PolarHBondContact O-N 3.2Å |
| 104 | L | 93.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.8 | -39.9 | 175.1 | -78.1 | 167.6 | 0 | 0 | 0 | 113.1 | L68 A71 L100 T106 K108 S124 A156 | L68-L104 HydrophobicContact CB-CD2 4.46Å; L68-L104 HydrophobicContact CD1-CD2 4.42Å; L68-L104 HydrophobicContact CD1-CG 4.31Å; L68-L104 HydrophobicContact CG-CD2 4.02Å; L68-L104 HydrophobicContact CG-CG 4.31Å; A71-L104 HydrophobicContact CB-CD1 4.46Å; A71-L104 HydrophobicContact CB-CD2 3.42Å; A71-L104 VanDerWaalsContact CB-CD2 3.42Å; L100-L104 WeakPolarHBondContact O-CG 3.4Å; L100-L104 PolarHBondContact O-N 3.11Å; L100-L104 VanDerWaalsContact O-N 3.11Å; L104-T106 VanDerWaalsContact C-N 3.3Å; L104-K108 PolarHBondContact O-N 3.31Å; L104-S124 VanDerWaalsContact CB-OG 3.23Å; L104-S124 WeakPolarHBondContact CB-OG 3.43Å; L104-A156 HydrophobicContact CD1-CB 3.94Å |
| 105 | N | 95 | Very high | 92.5 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 21% | 0.214 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.5 | -25.6 | 176.7 | -75.5 | -35.7 | 0 | 0 | 0 | 113.1 | A101 T102 E103 K108 L109 S124 | A101-N105 WeakPolarHBondContact O-CB 2.83Å; A101-N105 VanDerWaalsContact O-CG 3.27Å; A101-N105 PolarHBondContact O-N 2.87Å; A101-N105 VanDerWaalsContact O-N 3.11Å; A101-N105 PolarHBondContact O-ND2 2.83Å; A101-N105 VanDerWaalsContact O-ND2 3.08Å; T102-N105 CarbonylContact O-C 3.55Å; T102-N105 PolarHBondContact O-N 2.96Å; E103-N105 PolarHBondContact O-N 2.64Å; E103-N105 VanDerWaalsContact O-N 3.14Å; N105-K108 WeakPolarHBondContact O-CE 3.3Å; N105-K108 VanDerWaalsContact O-CG 3.24Å; N105-K108 WeakPolarHBondContact O-CG 3.37Å; N105-K108 PolarHBondContact OD1-NZ 3.21Å; N105-L109 WeakPolarHBondContact O-CD1 3.31Å; N105-L109 VanDerWaalsContact O-CG 3.23Å; N105-L109 WeakPolarHBondContact O-CG 3.41Å; N105-S124 PolarHBondContact ND2-O 2.9Å; N105-S124 PolarHBondContact ND2-OG 2.73Å; N105-S124 PolarHBondContact OD1-N 2.97Å; N105-S124 VanDerWaalsContact OD1-N 3.1Å; N105-S124 PolarHBondContact OD1-OG 3.19Å; N105-S124 VanDerWaalsContact OD1-OG 3.07Å |
| 106 | T | 94.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 42% | 0.423 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -82.9 | -46.4 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | E90 T102 E103 L104 K108 L109 A110 | E90-T106 HydrophobicContact CG-CG2 4.4Å; E90-T106 WeakPolarHBondContact OE2-CB 3.44Å; T102-T106 WeakPolarHBondContact O-CB 3.42Å; T102-T106 PolarHBondContact O-N 2.77Å; T102-T106 PolarHBondContact O-OG1 3.02Å; E103-T106 CarbonylContact O-C 3.45Å; E103-T106 WeakPolarHBondContact O-CA 3.49Å; E103-T106 WeakPolarHBondContact O-CB 3.23Å; E103-T106 PolarHBondContact O-N 2.96Å; L104-T106 VanDerWaalsContact C-N 3.3Å; T106-K108 PolarHBondContact O-N 3.11Å; T106-L109 WeakPolarHBondContact O-CB 3.28Å; T106-L109 PolarHBondContact O-N 2.88Å; T106-A110 PolarHBondContact O-N 2.97Å |
| 107 | A | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -49 | -53.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L68 L72 E90 E103 L109 A110 L111 | L68-A107 HydrophobicContact CD2-CB 4.4Å; L72-A107 HydrophobicContact CD1-CB 3.52Å; L72-A107 HydrophobicContact CD2-CB 4.31Å; L72-A107 HydrophobicContact CG-CB 4.49Å; E90-A107 WeakPolarHBondContact OE1-CA 3.28Å; E90-A107 WeakPolarHBondContact OE1-CB 3.07Å; E90-A107 PolarHBondContact OE1-N 3.41Å; E90-A107 PolarHBondContact OE2-N 2.96Å; E103-A107 WeakPolarHBondContact O-CB 3.49Å; E103-A107 PolarHBondContact O-N 3.2Å; A107-L109 PolarHBondContact O-N 2.87Å; A107-A110 PolarHBondContact O-N 2.8Å; A107-L111 WeakPolarHBondContact O-CG 3.43Å; A107-L111 PolarHBondContact O-N 2.75Å |
| 108 | K | 94.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -37.4 | 179.7 | 75.1 | -173.8 | -174.7 | -171.1 | 0 | 111.7 | L72 L104 N105 T106 L111 A112 M118 V122 | L72-K108 HydrophobicContact CD2-CB 4.16Å; L104-K108 PolarHBondContact O-N 3.31Å; N105-K108 WeakPolarHBondContact O-CE 3.3Å; N105-K108 VanDerWaalsContact O-CG 3.24Å; N105-K108 WeakPolarHBondContact O-CG 3.37Å; N105-K108 PolarHBondContact OD1-NZ 3.21Å; T106-K108 PolarHBondContact O-N 3.11Å; K108-L111 PolarHBondContact O-N 3.26Å; K108-A112 VanDerWaalsContact O-CB 3.23Å; K108-A112 WeakPolarHBondContact O-CB 3.46Å; K108-A112 PolarHBondContact O-N 2.82Å; K108-M118 HydrophobicContact CB-CE 4.35Å; K108-V122 HydrophobicContact CD-CB 4.5Å; K108-V122 WeakPolarHBondContact CD-O 3.11Å; K108-V122 VanDerWaalsContact CE-O 3.25Å; K108-V122 WeakPolarHBondContact CE-O 2.93Å; K108-V122 PolarHBondContact NZ-O 3.48Å |
| 109 | L | 95.4 | Very high | 93 | Very high | 104 Ų | 104 | 48.4 Ų | 48.4 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -73.9 | -38.8 | -176.2 | -75.4 | 175.1 | 0 | 0 | 0 | 109.4 | N105 T106 A107 A112 Y113 | N105-L109 WeakPolarHBondContact O-CD1 3.31Å; N105-L109 VanDerWaalsContact O-CG 3.23Å; N105-L109 WeakPolarHBondContact O-CG 3.41Å; T106-L109 WeakPolarHBondContact O-CB 3.28Å; T106-L109 PolarHBondContact O-N 2.88Å; A107-L109 PolarHBondContact O-N 2.87Å; L109-A112 PolarHBondContact O-N 3.18Å; L109-Y113 WeakPolarHBondContact O-CB 3.27Å; L109-Y113 PolarHBondContact O-N 3.26Å |
| 110 | A | 94 | Very high | 93.3 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 45% | 0.446 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T106 A107 Y113 A114 | T106-A110 PolarHBondContact O-N 2.97Å; A107-A110 PolarHBondContact O-N 2.8Å; A110-Y113 PolarHBondContact O-N 3Å; A110-A114 WeakPolarHBondContact O-CB 3.41Å; A110-A114 PolarHBondContact O-N 2.81Å |
| 111 | L | 92.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 177.7 | -68.7 | 170 | 0 | 0 | 0 | 112.2 | L72 M76 A88 A107 K108 A114 G115 M116 M118 | L72-L111 HydrophobicContact CD1-CD1 4.24Å; L72-L111 HydrophobicContact CD2-CD1 4.38Å; M76-L111 HydrophobicContact CE-CD1 4.43Å; M76-L111 HydrophobicContact CE-CD2 4.35Å; M76-L111 HydrophobicContact SD-CD1 3.96Å; A88-L111 HydrophobicContact CB-CD2 4.38Å; A107-L111 WeakPolarHBondContact O-CG 3.43Å; A107-L111 PolarHBondContact O-N 2.75Å; K108-L111 PolarHBondContact O-N 3.26Å; L111-A114 PolarHBondContact O-N 2.9Å; L111-G115 PolarHBondContact O-N 2.84Å; L111-M116 HydrophobicContact CB-CG 4.47Å; L111-M116 HydrophobicContact CD2-CG 4.19Å; L111-M116 WeakPolarHBondContact O-CB 3.48Å; L111-M116 WeakPolarHBondContact O-CG 3.48Å; L111-M116 PolarHBondContact O-N 2.78Å; L111-M116 VanDerWaalsContact O-N 3.14Å; L111-M118 HydrophobicContact CB-SD 4.26Å |
| 112 | A | 94.3 | Very high | 93.7 | Very high | 42 Ų | 42 | 50.5 Ų | 50.5 | 35% | 0.347 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K108 L109 A114 G115 M118 L121 | K108-A112 VanDerWaalsContact O-CB 3.23Å; K108-A112 WeakPolarHBondContact O-CB 3.46Å; K108-A112 PolarHBondContact O-N 2.82Å; L109-A112 PolarHBondContact O-N 3.18Å; A112-A114 VanDerWaalsContact C-N 3.34Å; A112-G115 PolarHBondContact O-N 2.7Å; A112-G115 VanDerWaalsContact O-N 3.08Å; A112-M118 HydrophobicContact CB-SD 4.08Å; A112-L121 HydrophobicContact CB-CD2 4.08Å |
| 113 | Y | 94.1 | Very high | 93.9 | Very high | 181 Ų | 181 | 50.8 Ų | 50.8 | 71% | 0.71 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.7 | -36.4 | 176.4 | -177.3 | -94.1 | 0 | 0 | 0 | 112.2 | L109 A110 G115 | L109-Y113 WeakPolarHBondContact O-CB 3.27Å; L109-Y113 PolarHBondContact O-N 3.26Å; A110-Y113 PolarHBondContact O-N 3Å; Y113-G115 PolarHBondContact O-N 3.14Å; Y113-G115 VanDerWaalsContact O-N 3.13Å |
| 114 | A | 91.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 50.8 Ų | 50.8 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -5.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A110 L111 A112 M116 | A110-A114 WeakPolarHBondContact O-CB 3.41Å; A110-A114 PolarHBondContact O-N 2.81Å; L111-A114 PolarHBondContact O-N 2.9Å; A112-A114 VanDerWaalsContact C-N 3.34Å; A114-M116 HydrophobicContact CB-CG 4.3Å |
| 115 | G | 91.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 62% | 0.619 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 23.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L111 A112 Y113 | L111-G115 PolarHBondContact O-N 2.84Å; A112-G115 PolarHBondContact O-N 2.7Å; A112-G115 VanDerWaalsContact O-N 3.08Å; Y113-G115 PolarHBondContact O-N 3.14Å; Y113-G115 VanDerWaalsContact O-N 3.13Å |
| 116 | M | 91.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | trans | -68.7 | 140.4 | 175.1 | -62.1 | -63 | -176.3 | 0 | 0 | 110.7 | M76 L86 L111 A114 M118 | M76-M116 HydrophobicContact CE-CB 3.8Å; M76-M116 HydrophobicContact CE-CG 4.22Å; L86-M116 HydrophobicContact CD1-SD 4.33Å; L86-M116 HydrophobicContact CD2-CE 3.58Å; L86-M116 HydrophobicContact CD2-SD 3.86Å; L111-M116 HydrophobicContact CB-CG 4.47Å; L111-M116 HydrophobicContact CD2-CG 4.19Å; L111-M116 WeakPolarHBondContact O-CB 3.48Å; L111-M116 WeakPolarHBondContact O-CG 3.48Å; L111-M116 PolarHBondContact O-N 2.78Å; L111-M116 VanDerWaalsContact O-N 3.14Å; A114-M116 HydrophobicContact CB-CG 4.3Å; M116-M118 PolarHBondContact O-N 2.88Å | ||
| 117 | E | 92.3 | Very high | 94.1 | Very high | 78 Ų | 78 | 49.7 Ų | 49.7 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -74.9 | 115.6 | 177 | -161.7 | 170.2 | 173.3 | 0 | 0 | 109.8 | C77 R80 Y81 | C77-E117 HydrophobicContact CB-CB 4.1Å; C77-E117 HydrophobicContact CB-CG 4.07Å; C77-E117 WeakPolarHBondContact CB-O 3.43Å; C77-E117 PolarHBondContact N-O 2.89Å; R80-E117 IonicContact CZ-OE1 3.99Å; R80-E117 IonicContact CZ-OE2 2.7Å; R80-E117 IonicContact NE-OE2 3.56Å; R80-E117 IonicContact NH1-OE1 3.13Å; R80-E117 PolarHBondContact NH1-OE1 2.99Å; R80-E117 IonicContact NH1-OE2 3.54Å; R80-E117 PolarHBondContact NH1-OE2 2.87Å; R80-E117 VanDerWaalsContact NH1-OE2 3.11Å; R80-E117 IonicContact NH2-OE2 3.4Å; R80-E117 PolarHBondContact NH2-OE2 2.86Å; Y81-E117 HydrophobicContact CE2-CB 4.38Å; Y81-E117 PolarHBondContact OH-N 3.31Å | ||
| 118 | M | 93.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -119.6 | 137.5 | -178.2 | -59.7 | -178.3 | 72 | 0 | 0 | 110.3 | A75 M76 K108 L111 A112 M116 L121 | A75-M118 HydrophobicContact CB-CE 4.09Å; A75-M118 CarbonylContact O-C 3.58Å; A75-M118 VanDerWaalsContact O-CA 3.27Å; A75-M118 WeakPolarHBondContact O-CA 3.44Å; M76-M118 HydrophobicContact SD-CE 4.14Å; M76-M118 HydrophobicContact SD-CG 3.7Å; M76-M118 HydrophobicContact SD-SD 4.29Å; K108-M118 HydrophobicContact CB-CE 4.35Å; L111-M118 HydrophobicContact CB-SD 4.26Å; A112-M118 HydrophobicContact CB-SD 4.08Å; M116-M118 PolarHBondContact O-N 2.88Å; M118-L121 HydrophobicContact CE-CD2 4.02Å; M118-L121 HydrophobicContact SD-CD2 3.88Å |
| 119 | N | 93.6 | Very high | 94 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 52% | 0.519 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -70.3 | -35.6 | 173.2 | -69.3 | -53 | 0 | 0 | 0 | 111.7 | A75 C77 L161 | A75-N119 PolarHBondContact O-N 3.36Å; C77-N119 PolarHBondContact SG-OD1 3.25Å; N119-L161 HydrophobicContact CB-CD1 4.39Å |
| 120 | D | 95.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -159.5 | 163.6 | -180 | -164.1 | -1.2 | 0 | 0 | 0 | 109.4 | L158 P159 M160 L161 | D120-L158 HydrophobicContact CB-CB 4.21Å; D120-L158 HydrophobicContact CB-CD2 3.89Å; D120-L158 VanDerWaalsContact OD2-CA 3.27Å; D120-L158 WeakPolarHBondContact OD2-CA 3.28Å; D120-L158 WeakPolarHBondContact OD2-CB 3.37Å; D120-P159 WeakPolarHBondContact OD2-CD 3.36Å; D120-P159 VanDerWaalsContact OD2-N 3.08Å; D120-M160 WeakPolarHBondContact OD1-CG 3.07Å; D120-M160 WeakPolarHBondContact OD2-CA 3.24Å; D120-M160 WeakPolarHBondContact OD2-CB 3.48Å; D120-M160 PolarHBondContact OD2-N 3.17Å; D120-L161 HydrophobicContact CB-CD1 4.01Å; D120-L161 HydrophobicContact CB-CG 4.06Å; D120-L161 PolarHBondContact OD2-N 3.23Å |
| 121 | L | 95.4 | Very high | 93.4 | Very high | 77 Ų | 77 | 48.7 Ų | 48.7 | 40% | 0.403 | 29% | 0.285 | S | S | . | . | trans | -94.1 | 126.1 | 172.5 | -65.4 | 176.7 | 0 | 0 | 0 | 109.5 | A112 M118 P159 | A112-L121 HydrophobicContact CB-CD2 4.08Å; M118-L121 HydrophobicContact CE-CD2 4.02Å; M118-L121 HydrophobicContact SD-CD2 3.88Å; L121-P159 WeakPolarHBondContact O-CD 3.09Å | ||
| 122 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -60.3 | 141.9 | 171.8 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | L72 A75 K108 A156 L157 L158 | L72-V122 HydrophobicContact CD2-CB 4.41Å; L72-V122 HydrophobicContact CD2-CG2 3.94Å; A75-V122 HydrophobicContact CB-CG2 3.68Å; K108-V122 HydrophobicContact CD-CB 4.5Å; K108-V122 WeakPolarHBondContact CD-O 3.11Å; K108-V122 VanDerWaalsContact CE-O 3.25Å; K108-V122 WeakPolarHBondContact CE-O 2.93Å; K108-V122 PolarHBondContact NZ-O 3.48Å; V122-A156 HydrophobicContact CG1-CB 3.89Å; V122-L157 CarbonylContact C-O 3.55Å; V122-L157 VanDerWaalsContact CA-O 3.28Å; V122-L157 WeakPolarHBondContact CA-O 3.41Å; V122-L158 HydrophobicContact CG2-CD2 3.82Å | ||
| 123 | V | 96.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.5 | 171.3 | 178.6 | 0 | 0 | 0 | 0 | 107.5 | A156 L157 P159 | V123-A156 CarbonylContact O-C 3.56Å; V123-A156 WeakPolarHBondContact O-CA 3.42Å; V123-L157 PolarHBondContact N-O 3.13Å; V123-L157 PolarHBondContact O-N 3.08Å; V123-P159 HydrophobicContact CG2-CG 4.01Å |
| 124 | S | 96 | Very high | 92.3 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.8 | -176.3 | 41.2 | 0 | 0 | 0 | 0 | 112.9 | A101 L104 N105 L155 | A101-S124 PolarHBondContact O-OG 3.36Å; L104-S124 VanDerWaalsContact CB-OG 3.23Å; L104-S124 WeakPolarHBondContact CB-OG 3.43Å; N105-S124 PolarHBondContact ND2-O 2.9Å; N105-S124 PolarHBondContact ND2-OG 2.73Å; N105-S124 PolarHBondContact OD1-N 2.97Å; N105-S124 VanDerWaalsContact OD1-N 3.1Å; N105-S124 PolarHBondContact OD1-OG 3.19Å; N105-S124 VanDerWaalsContact OD1-OG 3.07Å; S124-L155 CarbonylContact C-O 3.48Å; S124-L155 WeakPolarHBondContact CA-O 3.06Å; S124-L155 VanDerWaalsContact CB-O 3.28Å; S124-L155 WeakPolarHBondContact CB-O 2.95Å |
| 125 | C | 95.7 | Very high | 92.1 | Very high | 36 Ų | 36 | 54 Ų | 54 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 149.5 | 172.9 | 58 | 0 | 0 | 0 | 0 | 111 | L139 L155 | C125-L139 HydrophobicContact CB-CD1 4.22Å; C125-L155 PolarHBondContact N-O 2.7Å; C125-L155 PolarHBondContact O-N 2.87Å |
| 126 | G | 93.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 152.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111.4 | D140 V153 | G126-D140 WeakPolarHBondContact O-CA 3.21Å; G126-D140 PolarHBondContact O-N 3.13Å; G126-V153 CarbonylContact C-O 3.53Å; G126-V153 WeakPolarHBondContact CA-O 3.38Å |
| 127 | L | 94.2 | Very high | 92.2 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.9 | 170.5 | -74.2 | 89.2 | 0 | 0 | 0 | 108.6 | W137 L138 L139 G152 V153 | L127-W137 HydrophobicContact CB-CE3 4.44Å; L127-L138 CarbonylContact C-O 3.57Å; L127-L138 VanDerWaalsContact CA-O 3.25Å; L127-L138 WeakPolarHBondContact CA-O 3.25Å; L127-L139 HydrophobicContact CD1-CD1 4.05Å; L127-L139 HydrophobicContact CG-CD1 4Å; L127-G152 CarbonylContact O-C 3.51Å; L127-G152 WeakPolarHBondContact O-CA 3.42Å; L127-V153 HydrophobicContact CB-CB 4.3Å; L127-V153 PolarHBondContact N-O 3.48Å; L127-V153 PolarHBondContact O-N 3.48Å |
| 128 | G | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 143.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L138 | G128-L138 PolarHBondContact N-O 2.83Å; G128-L138 PolarHBondContact O-N 3.3Å |
| 129 | L | 92.1 | Very high | 92.4 | Very high | 38 Ų | 38 | 61.2 Ų | 61.2 | 20% | 0.199 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 117.3 | 171.9 | -176.2 | 70.2 | 0 | 0 | 0 | 110.1 | P135 W137 T149 A150 P151 | L129-P135 HydrophobicContact CD1-CB 4.02Å; L129-W137 HydrophobicContact CB-CE3 4.17Å; L129-W137 HydrophobicContact CB-CH2 4.34Å; L129-W137 HydrophobicContact CB-CZ3 4.08Å; L129-W137 HydrophobicContact CD1-CD2 4.03Å; L129-W137 HydrophobicContact CD1-CG 4.27Å; L129-W137 HydrophobicContact CD1-CZ2 4.36Å; L129-T149 CarbonylContact O-C 3.58Å; L129-T149 WeakPolarHBondContact O-CA 3.42Å; L129-T149 VanDerWaalsContact O-CB 3.32Å; L129-T149 WeakPolarHBondContact O-CB 3.5Å; L129-A150 PolarHBondContact O-N 3.01Å; L129-P151 PolarHBondContact N-O 2.97Å; L129-P151 VanDerWaalsContact N-O 3.16Å |
| 130 | A | 91.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 61 Ų | 61 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 143.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G132 T136 L138 | A130-G132 PolarHBondContact O-N 3.13Å; A130-T136 WeakPolarHBondContact CB-O 3.39Å; A130-T136 PolarHBondContact N-O 3.02Å; A130-L138 HydrophobicContact CB-CD1 4.11Å; A130-L138 HydrophobicContact CB-CD2 4.28Å; A130-L138 HydrophobicContact CB-CG 4.01Å |
| 131 | P | 85.4 | Confident | 92.2 | Very high | 98 Ų | 98 | 60.6 Ų | 60.6 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 127.8 | 176.5 | 30.4 | -31.7 | 0 | 0 | 0 | 110 | H148 | P131-H148 VanDerWaalsContact CD-O 3.23Å; P131-H148 WeakPolarHBondContact CD-O 3.4Å; P131-H148 HydrophobicContact CG-CB 4.25Å; P131-H148 WeakPolarHBondContact CG-O 3.32Å |
| 132 | G | 85.3 | Confident | 92.1 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 65% | 0.649 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 173.3 | 170.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A130 V134 | A130-G132 PolarHBondContact O-N 3.13Å; G132-V134 PolarHBondContact O-N 3.32Å |
| 133 | S | 82.8 | Confident | 91.8 | Very high | 133 Ų | 133 | 66.7 Ų | 66.7 | 93% | 0.93 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -66.6 | -21.3 | 175.6 | -51.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 134 | V | 90.1 | Very high | 91.5 | Very high | 103 Ų | 103 | 69.3 Ų | 69.3 | 62% | 0.624 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -114.7 | 124.9 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | G132 T136 | G132-V134 PolarHBondContact O-N 3.32Å; V134-T136 PolarHBondContact O-N 3.34Å; V134-T136 VanDerWaalsContact O-N 3.13Å; V134-T136 PolarHBondContact O-OG1 2.88Å |
| 135 | P | 87.8 | Confident | 91.2 | Very high | 98 Ų | 98 | 72.3 Ų | 72.3 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | trans | -65.5 | 114.2 | 178.2 | 27.1 | -33.5 | 0 | 0 | 0 | 110 | L129 | L129-P135 HydrophobicContact CD1-CB 4.02Š| ||
| 136 | T | 92.3 | Very high | 90.8 | Very high | 72 Ų | 72 | 73.8 Ų | 73.8 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.3 | -178.8 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | A130 V134 | A130-T136 WeakPolarHBondContact CB-O 3.39Å; A130-T136 PolarHBondContact N-O 3.02Å; V134-T136 PolarHBondContact O-N 3.34Å; V134-T136 VanDerWaalsContact O-N 3.13Å; V134-T136 PolarHBondContact O-OG1 2.88Å |
| 137 | W | 93 | Very high | 90.5 | Very high | 140 Ų | 140 | 79.6 Ų | 79.6 | 53% | 0.53 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.3 | 175.9 | -68.7 | 94.8 | 0 | 0 | 0 | 110.2 | L127 L129 P151 V153 | L127-W137 HydrophobicContact CB-CE3 4.44Å; L129-W137 HydrophobicContact CB-CE3 4.17Å; L129-W137 HydrophobicContact CB-CH2 4.34Å; L129-W137 HydrophobicContact CB-CZ3 4.08Å; L129-W137 HydrophobicContact CD1-CD2 4.03Å; L129-W137 HydrophobicContact CD1-CG 4.27Å; L129-W137 HydrophobicContact CD1-CZ2 4.36Å; W137-P151 HydrophobicContact CH2-CG 4.2Å; W137-V153 HydrophobicContact CZ3-CG2 4.47Å |
| 138 | L | 94.2 | Very high | 90.2 | Very high | 44 Ų | 44 | 83.2 Ų | 83.2 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 131.9 | 169 | -55.4 | -176.4 | 0 | 0 | 0 | 108.2 | L127 G128 A130 P141 E145 T149 | L127-L138 CarbonylContact C-O 3.57Å; L127-L138 VanDerWaalsContact CA-O 3.25Å; L127-L138 WeakPolarHBondContact CA-O 3.25Å; G128-L138 PolarHBondContact N-O 2.83Å; G128-L138 PolarHBondContact O-N 3.3Å; A130-L138 HydrophobicContact CB-CD1 4.11Å; A130-L138 HydrophobicContact CB-CD2 4.28Å; A130-L138 HydrophobicContact CB-CG 4.01Å; L138-P141 HydrophobicContact CB-CB 4.41Å; L138-E145 HydrophobicContact CD1-CB 3.98Å; L138-E145 HydrophobicContact CD1-CG 4.44Å; L138-T149 HydrophobicContact CD1-CG2 3.66Å; L138-T149 HydrophobicContact CG-CG2 4.42Å |
| 139 | L | 95.5 | Very high | 89.8 | Confident | 125 Ų | 125 | 84 Ų | 84 | 65% | 0.654 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.7 | 173.3 | 178.5 | 68.2 | 0 | 0 | 0 | 107.9 | C125 L127 | C125-L139 HydrophobicContact CB-CD1 4.22Å; L127-L139 HydrophobicContact CD1-CD1 4.05Å; L127-L139 HydrophobicContact CG-CD1 4Å |
| 140 | D | 93.9 | Very high | 89.5 | Confident | 92 Ų | 92 | 84.7 Ų | 84.7 | 49% | 0.492 | 47% | 0.472 | S | S | . | . | S | Bend | trans | 53.4 | 60.1 | -177.7 | -157.5 | 35.7 | 0 | 0 | 0 | 112.6 | S98 G126 | S98-D140 WeakPolarHBondContact CB-OD1 3.43Å; S98-D140 PolarHBondContact OG-OD1 2.75Å; G126-D140 WeakPolarHBondContact O-CA 3.21Å; G126-D140 PolarHBondContact O-N 3.13Å |
| 141 | P | 92.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 85.8 Ų | 85.8 | 3% | 0.026 | 48% | 0.478 | C | S | . | . | trans | -62.8 | 140.3 | -177.7 | 27.3 | -35.1 | 0 | 0 | 0 | 111.2 | S98 L138 E145 | S98-P141 WeakPolarHBondContact OG-CD 3.37Å; S98-P141 PolarHBondContact OG-O 3.16Å; L138-P141 HydrophobicContact CB-CB 4.41Å; P141-E145 WeakPolarHBondContact CA-OE2 3.3Å; P141-E145 HydrophobicContact CB-CB 3.91Å | ||
| 142 | M | 92.7 | Very high | 89.3 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | trans | -70.8 | 162.3 | 167.7 | -58.5 | -176.4 | -66.4 | 0 | 0 | 110.2 | G96 L144 E145 E146 | G96-M142 CarbonylContact O-C 3.58Å; G96-M142 WeakPolarHBondContact O-CA 3.02Å; M142-L144 VanDerWaalsContact C-N 3.28Å; M142-L144 PolarHBondContact O-N 2.77Å; M142-L144 VanDerWaalsContact O-N 3.14Å; M142-E145 HydrophobicContact CB-CG 4.45Å; M142-E145 HydrophobicContact CE-CG 4.31Å; M142-E145 PolarHBondContact N-OE2 3.34Å; M142-E145 WeakPolarHBondContact O-CA 3.29Å; M142-E145 WeakPolarHBondContact O-CB 3.44Å; M142-E145 PolarHBondContact O-N 3Å; M142-E146 PolarHBondContact O-N 2.76Å | ||
| 143 | R | 89.9 | Confident | 89.7 | Confident | 93 Ų | 93 | 80.6 Ų | 80.6 | 35% | 0.351 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -47.5 | -48.6 | -179.8 | 174 | 63.2 | 78.9 | -176.8 | 36.1 | 113.4 | D95 G96 E145 E146 E147 | D95-R143 PolarHBondContact O-NE 2.98Å; D95-R143 IonicContact OD1-CZ 3.4Å; D95-R143 IonicContact OD1-NE 3.02Å; D95-R143 IonicContact OD1-NH1 2.61Å; D95-R143 IonicContact OD1-NH2 3.14Å; D95-R143 IonicContact OD2-CZ 3.11Å; D95-R143 IonicContact OD2-NH1 2.86Å; D95-R143 PolarHBondContact OD2-NH1 2.88Å; D95-R143 IonicContact OD2-NH2 3.66Å; D95-R143 PolarHBondContact OD2-NH2 3Å; G96-R143 PolarHBondContact O-N 2.8Å; R143-E145 PolarHBondContact O-N 2.88Å; R143-E146 IonicContact NH1-OE2 2.78Å; R143-E146 PolarHBondContact NH1-OE2 2.92Å; R143-E146 PolarHBondContact O-N 3.4Å; R143-E147 WeakPolarHBondContact O-CG 3.41Å; R143-E147 PolarHBondContact O-N 2.61Å; R143-E147 VanDerWaalsContact O-N 3.12Å |
| 144 | L | 90.6 | Very high | 90.2 | Very high | 123 Ų | 123 | 75.5 Ų | 75.5 | 64% | 0.644 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.8 | -31 | -179.6 | -66.2 | 175.6 | 0 | 0 | 0 | 112.6 | M142 H148 | M142-L144 VanDerWaalsContact C-N 3.28Å; M142-L144 PolarHBondContact O-N 2.77Å; M142-L144 VanDerWaalsContact O-N 3.14Å; L144-H148 PolarHBondContact O-ND1 2.8Å |
| 145 | E | 91.1 | Very high | 90.5 | Very high | 71 Ų | 71 | 72.5 Ų | 72.5 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -77.7 | -42.9 | 177.2 | -61.7 | 174.2 | 140.5 | 0 | 0 | 110.1 | L138 P141 M142 R143 E147 H148 T149 | L138-E145 HydrophobicContact CD1-CB 3.98Å; L138-E145 HydrophobicContact CD1-CG 4.44Å; P141-E145 WeakPolarHBondContact CA-OE2 3.3Å; P141-E145 HydrophobicContact CB-CB 3.91Å; M142-E145 HydrophobicContact CB-CG 4.45Å; M142-E145 HydrophobicContact CE-CG 4.31Å; M142-E145 PolarHBondContact N-OE2 3.34Å; M142-E145 WeakPolarHBondContact O-CA 3.29Å; M142-E145 WeakPolarHBondContact O-CB 3.44Å; M142-E145 PolarHBondContact O-N 3Å; R143-E145 PolarHBondContact O-N 2.88Å; E145-E147 VanDerWaalsContact C-N 3.3Å; E145-E147 PolarHBondContact O-N 3.12Å; E145-H148 CarbonylContact O-C 3.57Å; E145-H148 PolarHBondContact O-N 3.49Å; E145-T149 WeakPolarHBondContact O-CG2 3.41Å; E145-T149 PolarHBondContact O-N 3.28Å |
| 146 | E | 87.1 | Confident | 90.9 | Very high | 68 Ų | 68 | 67.9 Ų | 67.9 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.6 | -41 | 179.6 | -168.4 | 170.9 | -144.9 | 0 | 0 | 112.1 | M142 R143 H148 T149 | M142-E146 PolarHBondContact O-N 2.76Å; R143-E146 IonicContact NH1-OE2 2.78Å; R143-E146 PolarHBondContact NH1-OE2 2.92Å; R143-E146 PolarHBondContact O-N 3.4Å; E146-H148 PolarHBondContact O-N 3.04Å; E146-H148 VanDerWaalsContact O-N 3.16Å; E146-T149 WeakPolarHBondContact CA-OG1 3.13Å; E146-T149 PolarHBondContact O-N 2.59Å; E146-T149 VanDerWaalsContact O-N 3.13Å; E146-T149 PolarHBondContact O-OG1 3.01Å; E146-T149 VanDerWaalsContact O-OG1 3.08Å |
| 147 | E | 87 | Confident | 91.1 | Very high | 124 Ų | 124 | 67.4 Ų | 67.4 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.8 | 175.2 | -75.2 | 173.5 | -167.4 | 0 | 0 | 113.9 | R143 E145 | R143-E147 WeakPolarHBondContact O-CG 3.41Å; R143-E147 PolarHBondContact O-N 2.61Å; R143-E147 VanDerWaalsContact O-N 3.12Å; E145-E147 VanDerWaalsContact C-N 3.3Å; E145-E147 PolarHBondContact O-N 3.12Å |
| 148 | H | 87 | Confident | 91.3 | Very high | 125 Ų | 125 | 60.8 Ų | 60.8 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -9.5 | -177.9 | -61.1 | 92.8 | 0 | 0 | 0 | 112.7 | P131 L144 E145 E146 | P131-H148 VanDerWaalsContact CD-O 3.23Å; P131-H148 WeakPolarHBondContact CD-O 3.4Å; P131-H148 HydrophobicContact CG-CB 4.25Å; P131-H148 WeakPolarHBondContact CG-O 3.32Å; L144-H148 PolarHBondContact O-ND1 2.8Å; E145-H148 CarbonylContact O-C 3.57Å; E145-H148 PolarHBondContact O-N 3.49Å; E146-H148 PolarHBondContact O-N 3.04Å; E146-H148 VanDerWaalsContact O-N 3.16Å |
| 149 | T | 85.1 | Confident | 91.4 | Very high | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.104 | 33% | 0.329 | C | S | . | . | trans | -91 | 139.6 | 179.3 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | L129 L138 E145 E146 | L129-T149 CarbonylContact O-C 3.58Å; L129-T149 WeakPolarHBondContact O-CA 3.42Å; L129-T149 VanDerWaalsContact O-CB 3.32Å; L129-T149 WeakPolarHBondContact O-CB 3.5Å; L138-T149 HydrophobicContact CD1-CG2 3.66Å; L138-T149 HydrophobicContact CG-CG2 4.42Å; E145-T149 WeakPolarHBondContact O-CG2 3.41Å; E145-T149 PolarHBondContact O-N 3.28Å; E146-T149 WeakPolarHBondContact CA-OG1 3.13Å; E146-T149 PolarHBondContact O-N 2.59Å; E146-T149 VanDerWaalsContact O-N 3.13Å; E146-T149 PolarHBondContact O-OG1 3.01Å; E146-T149 VanDerWaalsContact O-OG1 3.08Å | ||
| 150 | A | 84.7 | Confident | 91.5 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | trans | -158.6 | 133.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L129 | L129-A150 PolarHBondContact O-N 3.01Š| ||
| 151 | P | 85.1 | Confident | 91.5 | Very high | 46 Ų | 46 | 62.7 Ų | 62.7 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | S | Bend | cis | -77.8 | 158.9 | 0.8 | 33.2 | -37.2 | 0 | 0 | 0 | 113.8 | L129 W137 | L129-P151 PolarHBondContact N-O 2.97Å; L129-P151 VanDerWaalsContact N-O 3.16Å; W137-P151 HydrophobicContact CH2-CG 4.2Å |
| 152 | G | 88.9 | Confident | 91.6 | Very high | 22 Ų | 22 | 69.6 Ų | 69.6 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 141.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L127 A169 A170 | L127-G152 CarbonylContact O-C 3.51Å; L127-G152 WeakPolarHBondContact O-CA 3.42Å; G152-A169 CarbonylContact O-C 3.59Å; G152-A170 PolarHBondContact N-O 3.16Å; G152-A170 PolarHBondContact O-N 2.74Å |
| 153 | V | 92.3 | Very high | 91.8 | Very high | 30 Ų | 30 | 69.2 Ų | 69.2 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.3 | -178.3 | 178.2 | 0 | 0 | 0 | 0 | 109 | G126 L127 W137 L167 L168 A169 | G126-V153 CarbonylContact C-O 3.53Å; G126-V153 WeakPolarHBondContact CA-O 3.38Å; L127-V153 HydrophobicContact CB-CB 4.3Å; L127-V153 PolarHBondContact N-O 3.48Å; L127-V153 PolarHBondContact O-N 3.48Å; W137-V153 HydrophobicContact CZ3-CG2 4.47Å; V153-L167 HydrophobicContact CG1-CD1 3.53Å; V153-L168 CarbonylContact C-O 3.58Å; V153-L168 VanDerWaalsContact CA-O 3.28Å; V153-L168 WeakPolarHBondContact CA-O 3.18Å; V153-L168 WeakPolarHBondContact CG1-O 3.36Å; V153-A169 HydrophobicContact CG2-CB 4.12Å |
| 154 | T | 93.8 | Very high | 92.1 | Very high | 25 Ų | 25 | 69.2 Ų | 69.2 | 15% | 0.153 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.2 | 168.8 | -62.2 | 0 | 0 | 0 | 0 | 109.2 | L100 A101 L168 | L100-T154 HydrophobicContact CB-CG2 4.4Å; L100-T154 HydrophobicContact CD2-CG2 3.83Å; L100-T154 HydrophobicContact CG-CG2 4.17Å; A101-T154 HydrophobicContact CB-CG2 4.08Å; T154-L168 PolarHBondContact N-O 3.17Å; T154-L168 PolarHBondContact O-N 3.05Å |
| 155 | L | 95.4 | Very high | 92.3 | Very high | 40 Ų | 40 | 63.8 Ų | 63.8 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.3 | 177.7 | 178.8 | 67.4 | 0 | 0 | 0 | 109.6 | S124 C125 L157 V164 L167 | S124-L155 CarbonylContact C-O 3.48Å; S124-L155 WeakPolarHBondContact CA-O 3.06Å; S124-L155 VanDerWaalsContact CB-O 3.28Å; S124-L155 WeakPolarHBondContact CB-O 2.95Å; C125-L155 PolarHBondContact N-O 2.7Å; C125-L155 PolarHBondContact O-N 2.87Å; L155-L157 HydrophobicContact CD1-CD2 4.07Å; L155-L157 HydrophobicContact CD1-CG 4.39Å; L155-L157 HydrophobicContact CD2-CD1 3.84Å; L155-L157 HydrophobicContact CD2-CD2 4.13Å; L155-L157 HydrophobicContact CD2-CG 3.95Å; L155-L157 HydrophobicContact CG-CD1 4.37Å; L155-L157 HydrophobicContact CG-CD2 4.16Å; L155-L157 HydrophobicContact CG-CG 3.96Å; L155-V164 HydrophobicContact CD1-CG1 3.91Å; L155-L167 HydrophobicContact CB-CD1 4.41Å; L155-L167 HydrophobicContact CD1-CB 4.47Å; L155-L167 HydrophobicContact CD1-CD1 3.97Å |
| 156 | A | 96.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | L104 V122 V123 A165 R166 | L104-A156 HydrophobicContact CD1-CB 3.94Å; V122-A156 HydrophobicContact CG1-CB 3.89Å; V123-A156 CarbonylContact O-C 3.56Å; V123-A156 WeakPolarHBondContact O-CA 3.42Å; A156-A165 HydrophobicContact CB-CB 4.36Å; A156-A165 PolarHBondContact O-N 2.99Å; A156-R166 HydrophobicContact CB-CB 3.96Å; A156-R166 PolarHBondContact N-O 2.91Å; A156-R166 PolarHBondContact O-N 3.34Å |
| 157 | L | 97.4 | Very high | 92.7 | Very high | 62 Ų | 62 | 65.6 Ų | 65.6 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.2 | -172.6 | -65.1 | 171.2 | 0 | 0 | 0 | 111.4 | V122 V123 L155 P159 Q163 V164 | V122-L157 CarbonylContact C-O 3.55Å; V122-L157 VanDerWaalsContact CA-O 3.28Å; V122-L157 WeakPolarHBondContact CA-O 3.41Å; V123-L157 PolarHBondContact N-O 3.13Å; V123-L157 PolarHBondContact O-N 3.08Å; L155-L157 HydrophobicContact CD1-CD2 4.07Å; L155-L157 HydrophobicContact CD1-CG 4.39Å; L155-L157 HydrophobicContact CD2-CD1 3.84Å; L155-L157 HydrophobicContact CD2-CD2 4.13Å; L155-L157 HydrophobicContact CD2-CG 3.95Å; L155-L157 HydrophobicContact CG-CD1 4.37Å; L155-L157 HydrophobicContact CG-CD2 4.16Å; L155-L157 HydrophobicContact CG-CG 3.96Å; L157-P159 WeakPolarHBondContact O-CD 3.35Å; L157-Q163 CarbonylContact C-O 3.55Å; L157-Q163 WeakPolarHBondContact CA-O 3.28Å; L157-V164 HydrophobicContact CD2-CB 4.39Å; L157-V164 HydrophobicContact CD2-CG2 3.8Å |
| 158 | L | 97.4 | Very high | 93 | Very high | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 94.8 | 164 | -63.7 | 161.9 | 0 | 0 | 0 | 105.7 | P74 A75 D120 V122 M160 L161 N162 Q163 A165 | P74-L158 HydrophobicContact CB-CD1 3.98Å; P74-L158 HydrophobicContact CG-CD1 4.11Å; A75-L158 HydrophobicContact CB-CD2 3.6Å; D120-L158 HydrophobicContact CB-CB 4.21Å; D120-L158 HydrophobicContact CB-CD2 3.89Å; D120-L158 VanDerWaalsContact OD2-CA 3.27Å; D120-L158 WeakPolarHBondContact OD2-CA 3.28Å; D120-L158 WeakPolarHBondContact OD2-CB 3.37Å; V122-L158 HydrophobicContact CG2-CD2 3.82Å; L158-M160 PolarHBondContact O-N 3.06Å; L158-L161 HydrophobicContact CB-CB 4.01Å; L158-L161 HydrophobicContact CB-CD1 4.29Å; L158-L161 HydrophobicContact CD1-CD1 4.2Å; L158-L161 CarbonylContact O-C 3.44Å; L158-L161 PolarHBondContact O-N 3.33Å; L158-N162 WeakPolarHBondContact O-CA 3.33Å; L158-N162 PolarHBondContact O-N 3.32Å; L158-Q163 HydrophobicContact CB-CB 4.36Å; L158-Q163 HydrophobicContact CD1-CB 4.37Å; L158-Q163 PolarHBondContact N-O 2.78Å; L158-Q163 PolarHBondContact O-N 3.03Å; L158-Q163 VanDerWaalsContact O-N 3.09Å; L158-A165 HydrophobicContact CD1-CB 4.23Å; L158-A165 HydrophobicContact CG-CB 4.14Å |
| 159 | P | 96.1 | Very high | 93 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -36 | -166.7 | 27.3 | -34.6 | 0 | 0 | 0 | 113.4 | D120 L121 V123 L157 N162 | D120-P159 WeakPolarHBondContact OD2-CD 3.36Å; D120-P159 VanDerWaalsContact OD2-N 3.08Å; L121-P159 WeakPolarHBondContact O-CD 3.09Å; V123-P159 HydrophobicContact CG2-CG 4.01Å; L157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-N162 PolarHBondContact O-N 3.49Å |
| 160 | M | 96.3 | Very high | 92.9 | Very high | 159 Ų | 159 | 63 Ų | 63 | 78% | 0.783 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -34.5 | 178.5 | -61.7 | -58.7 | -59.6 | 0 | 0 | 111.3 | D120 L158 N162 | D120-M160 WeakPolarHBondContact OD1-CG 3.07Å; D120-M160 WeakPolarHBondContact OD2-CA 3.24Å; D120-M160 WeakPolarHBondContact OD2-CB 3.48Å; D120-M160 PolarHBondContact OD2-N 3.17Å; L158-M160 PolarHBondContact O-N 3.06Å; M160-N162 VanDerWaalsContact C-N 3.31Å |
| 161 | L | 94.5 | Very high | 92.3 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 38% | 0.377 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -10.8 | 175 | -63.4 | 177.5 | 0 | 0 | 0 | 113.2 | N119 D120 L158 Q163 | N119-L161 HydrophobicContact CB-CD1 4.39Å; D120-L161 HydrophobicContact CB-CD1 4.01Å; D120-L161 HydrophobicContact CB-CG 4.06Å; D120-L161 PolarHBondContact OD2-N 3.23Å; L158-L161 HydrophobicContact CB-CB 4.01Å; L158-L161 HydrophobicContact CB-CD1 4.29Å; L158-L161 HydrophobicContact CD1-CD1 4.2Å; L158-L161 CarbonylContact O-C 3.44Å; L158-L161 PolarHBondContact O-N 3.33Å; L161-Q163 HydrophobicContact CB-CB 4.33Å; L161-Q163 HydrophobicContact CB-CG 4.25Å; L161-Q163 WeakPolarHBondContact O-CG 3.23Å; L161-Q163 PolarHBondContact O-N 2.92Å |
| 162 | N | 95.6 | Very high | 91 | Very high | 149 Ų | 149 | 71.9 Ų | 71.9 | 80% | 0.797 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 46.8 | -171.2 | -168.9 | 39.2 | 0 | 0 | 0 | 112.5 | L158 P159 M160 | L158-N162 WeakPolarHBondContact O-CA 3.33Å; L158-N162 PolarHBondContact O-N 3.32Å; P159-N162 PolarHBondContact O-N 3.49Å; M160-N162 VanDerWaalsContact C-N 3.31Å |
| 163 | Q | 95.9 | Very high | 89 | Confident | 105 Ų | 105 | 75.6 Ų | 75.6 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.9 | -177 | -76.3 | 173.6 | 49.8 | 0 | 0 | 111.1 | L157 L158 L161 | L157-Q163 CarbonylContact C-O 3.55Å; L157-Q163 WeakPolarHBondContact CA-O 3.28Å; L158-Q163 HydrophobicContact CB-CB 4.36Å; L158-Q163 HydrophobicContact CD1-CB 4.37Å; L158-Q163 PolarHBondContact N-O 2.78Å; L158-Q163 PolarHBondContact O-N 3.03Å; L158-Q163 VanDerWaalsContact O-N 3.09Å; L161-Q163 HydrophobicContact CB-CB 4.33Å; L161-Q163 HydrophobicContact CB-CG 4.25Å; L161-Q163 WeakPolarHBondContact O-CG 3.23Å; L161-Q163 PolarHBondContact O-N 2.92Å |
| 164 | V | 96.2 | Very high | 86.8 | Confident | 92 Ų | 92 | 82.6 Ų | 82.6 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 114 | 170.7 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | L155 L157 L167 | L155-V164 HydrophobicContact CD1-CG1 3.91Å; L157-V164 HydrophobicContact CD2-CB 4.39Å; L157-V164 HydrophobicContact CD2-CG2 3.8Å; V164-L167 HydrophobicContact CG1-CB 4.29Å |
| 165 | A | 94.3 | Very high | 86.5 | Confident | 10 Ų | 10 | 85.5 Ų | 85.5 | 8% | 0.083 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -39.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A71 P74 A156 L158 | A71-A165 WeakPolarHBondContact O-CB 3.32Å; P74-A165 HydrophobicContact CG-CB 4.22Å; A156-A165 HydrophobicContact CB-CB 4.36Å; A156-A165 PolarHBondContact O-N 2.99Å; L158-A165 HydrophobicContact CD1-CB 4.23Å; L158-A165 HydrophobicContact CG-CB 4.14Å |
| 166 | R | 94.2 | Very high | 86 | Confident | 73 Ų | 73 | 87.8 Ų | 87.8 | 28% | 0.275 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 146.6 | 179.7 | -161 | 52.2 | 46 | 168.3 | -0.1 | 111.2 | V67 E70 A71 A156 L168 | V67-R166 HydrophobicContact CG1-CG 4.05Å; E70-R166 VanDerWaalsContact CB-NH2 3.34Å; E70-R166 PolarHBondContact O-NH2 2.85Å; E70-R166 IonicContact OE2-CZ 3.01Å; E70-R166 IonicContact OE2-NH1 3.49Å; E70-R166 PolarHBondContact OE2-NH1 3.08Å; E70-R166 IonicContact OE2-NH2 2.59Å; E70-R166 PolarHBondContact OE2-NH2 3.3Å; A71-R166 HydrophobicContact CB-CB 3.79Å; A71-R166 HydrophobicContact CB-CG 4.4Å; A156-R166 HydrophobicContact CB-CB 3.96Å; A156-R166 PolarHBondContact N-O 2.91Å; A156-R166 PolarHBondContact O-N 3.34Å; R166-L168 HydrophobicContact CG-CG 4.36Å |
| 167 | L | 93.9 | Very high | 85.4 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.9 | 123.9 | 169.6 | 175.4 | 67.7 | 0 | 0 | 0 | 107.4 | V153 L155 V164 | V153-L167 HydrophobicContact CG1-CD1 3.53Å; L155-L167 HydrophobicContact CB-CD1 4.41Å; L155-L167 HydrophobicContact CD1-CB 4.47Å; L155-L167 HydrophobicContact CD1-CD1 3.97Å; V164-L167 HydrophobicContact CG1-CB 4.29Å |
| 168 | L | 91.7 | Very high | 84.7 | Confident | 63 Ų | 63 | 94.5 Ų | 94.5 | 33% | 0.33 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.6 | 136 | 172.5 | -67.5 | -176.5 | 0 | 0 | 0 | 109.4 | V67 L100 V153 T154 R166 | V67-L168 HydrophobicContact CB-CD1 4.19Å; V67-L168 HydrophobicContact CG1-CD1 3.46Å; V67-L168 VanDerWaalsContact CG1-CD1 3.46Å; V67-L168 HydrophobicContact CG1-CG 4.31Å; V67-L168 HydrophobicContact CG2-CD1 3.66Å; L100-L168 HydrophobicContact CD2-CD1 3.56Å; V153-L168 CarbonylContact C-O 3.58Å; V153-L168 VanDerWaalsContact CA-O 3.28Å; V153-L168 WeakPolarHBondContact CA-O 3.18Å; V153-L168 WeakPolarHBondContact CG1-O 3.36Å; T154-L168 PolarHBondContact N-O 3.17Å; T154-L168 PolarHBondContact O-N 3.05Å; R166-L168 HydrophobicContact CG-CG 4.36Å |
| 169 | A | 88.6 | Confident | 83.9 | Confident | 78 Ų | 78 | 100.3 Ų | 100.3 | 65% | 0.645 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.2 | 118.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | G152 V153 | G152-A169 CarbonylContact O-C 3.59Å; V153-A169 HydrophobicContact CG2-CB 4.12Å |
| 170 | A | 82.3 | Confident | 83.1 | Confident | 71 Ų | 71 | 102.3 Ų | 102.3 | 59% | 0.587 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 105.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | G152 | G152-A170 PolarHBondContact N-O 3.16Å; G152-A170 PolarHBondContact O-N 2.74Å |
| 171 | G | 71.7 | Confident | 82.1 | Confident | 64 Ų | 64 | 98.3 Ų | 98.3 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | trans | -100.5 | 121.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 172 | R | 59 | Low | 81.2 | Confident | 220 Ų | 220 | 100.3 Ų | 100.3 | 83% | 0.83 | 62% | 0.621 | S | S | * | * | trans | -85 | 115.9 | 165.5 | -157.3 | 172.2 | -170.2 | 163.9 | 3.5 | 107.6 | A174 | R172-A174 PolarHBondContact O-N 3.33Š| ||
| 173 | A | 46.6 | Very low | 80 | Confident | 100 Ų | 100 | 96.3 Ų | 96.3 | 83% | 0.826 | 61% | 0.606 | S | S | * | * | trans | -64.3 | 124.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 174 | A | 45.5 | Very low | 78.5 | Confident | 176 Ų | 176 | 95.5 Ų | 95.5 | 100% | 1.455 | 62% | 0.617 | S | S | * | * | trans | -71.8 | 0 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R172 | R172-A174 PolarHBondContact O-N 3.33Š|
Retrieved 174 of 174 residues in 72.3 ms
(Link to these results)