| 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 | 36.4 | Very low | 33.7 | Very low | 246 Ų | 246 | 134.5 Ų | 134.5 | 100% | 1.212 | 85% | 0.853 | S | S | * | * | 0 | 81.6 | 0 | -66.4 | -78.2 | -172.6 | 0 | 0 | 106.6 | |||||
| 2 | S | 32.8 | Very low | 34.1 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 86% | 0.86 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 131.3 | -173 | -70.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 3 | A | 32.9 | Very low | 34.2 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 85% | 0.851 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 136.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 4 | V | 34.4 | Very low | 34.4 | Very low | 143 Ų | 143 | 139 Ų | 139 | 87% | 0.867 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 122.9 | 180 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 5 | G | 31.8 | Very low | 34.8 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 125.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A7 | G5-A7 PolarHBondContact O-N 3.47Š|
| 6 | A | 31.1 | Very low | 34.8 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 121.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 7 | A | 33.8 | Very low | 35.4 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 127 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G5 | G5-A7 PolarHBondContact O-N 3.47Š|
| 8 | A | 33.7 | Very low | 35.5 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 67% | 0.669 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 141.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y10 | A8-Y10 PolarHBondContact O-N 3.12Š|
| 9 | P | 37.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 119.3 | -178.5 | 30.1 | -31.2 | 0 | 0 | 0 | 110 | L11 | P9-L11 PolarHBondContact O-N 3.37Š|
| 10 | Y | 35 | Very low | 36.3 | Very low | 225 Ų | 225 | 130.5 Ų | 130.5 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -64 | 115.2 | 168.6 | -71.7 | -86.2 | 0 | 0 | 0 | 108.7 | A8 H12 | A8-Y10 PolarHBondContact O-N 3.12Å; Y10-H12 PolarHBondContact O-N 2.71Å | ||
| 11 | L | 31.6 | Very low | 37.2 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -62.9 | 120.2 | 175 | -73.9 | 163.5 | 0 | 0 | 0 | 109.6 | P9 | P9-L11 PolarHBondContact O-N 3.37Š| ||
| 12 | H | 38.2 | Very low | 38.6 | Very low | 184 Ų | 184 | 124.6 Ų | 124.6 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | -60.5 | 136.1 | 161.3 | -84.9 | -86 | 0 | 0 | 0 | 109.7 | Y10 | Y10-H12 PolarHBondContact O-N 2.71Š| ||
| 13 | H | 35.9 | Very low | 40.8 | Very low | 174 Ų | 174 | 120.3 Ų | 120.3 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | trans | -133.2 | 149 | 159.9 | -118.3 | 48.1 | 0 | 0 | 0 | 110.9 | ||||
| 14 | P | 37.1 | Very low | 43.4 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 71% | 0.708 | 69% | 0.69 | S | S | * | * | trans | -75.1 | 141.4 | -160 | 27.1 | -24.3 | 0 | 0 | 0 | 111.1 | D16 | P14-D16 PolarHBondContact O-N 3.41Š| ||
| 15 | S | 39.7 | Very low | 45.8 | Very low | 106 Ų | 106 | 109.9 Ų | 109.9 | 74% | 0.741 | 65% | 0.652 | S | S | * | * | trans | -57 | 120.6 | 169.9 | 177 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | D | 34.9 | Very low | 48.1 | Very low | 164 Ų | 164 | 108 Ų | 108 | 88% | 0.877 | 63% | 0.633 | S | S | * | * | trans | -109.7 | 114.3 | 154.3 | -94.6 | -23 | 0 | 0 | 0 | 107.9 | P14 | P14-D16 PolarHBondContact O-N 3.41Š| ||
| 17 | S | 44.6 | Very low | 50.3 | Low | 82 Ų | 82 | 107.7 Ų | 107.7 | 57% | 0.573 | 63% | 0.63 | S | S | * | * | trans | -44.7 | 141.8 | 174.5 | -54.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 18 | H | 38.3 | Very low | 52.4 | Low | 178 Ų | 178 | 110.9 Ų | 110.9 | 82% | 0.824 | 63% | 0.628 | S | S | * | * | 160 | 127.9 | 118.9 | -73.4 | -54 | 0 | 0 | 0 | 111.5 | |||||
| 19 | S | 40.7 | Very low | 54.8 | Low | 65 Ų | 65 | 111 Ų | 111 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | trans | 68.4 | 108.4 | 165.9 | -147.9 | 0 | 0 | 0 | 0 | 116.8 | R21 | S19-R21 PolarHBondContact O-N 3.2Š| ||
| 20 | G | 45.5 | Very low | 57.2 | Low | 68 Ų | 68 | 106.4 Ų | 106.4 | 70% | 0.701 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -66.5 | 29.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 21 | R | 55.4 | Low | 59.7 | Low | 151 Ų | 151 | 100.1 Ų | 100.1 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -102.7 | 126.8 | 168.1 | -73.3 | -178.1 | 174.4 | 177.8 | -0.5 | 108 | S19 S23 | S19-R21 PolarHBondContact O-N 3.2Å; R21-S23 PolarHBondContact O-N 2.76Å |
| 22 | V | 65.1 | Low | 62.6 | Low | 102 Ų | 102 | 96 Ų | 96 | 62% | 0.618 | 55% | 0.551 | S | S | * | * | trans | -57.2 | 115.2 | 172.6 | -177 | 0 | 0 | 0 | 0 | 108.3 | L222 | V22-L222 HydrophobicContact CG2-CD1 4.18Š| ||
| 23 | S | 80.8 | Confident | 65.1 | Low | 34 Ų | 34 | 87.3 Ų | 87.3 | 24% | 0.238 | 51% | 0.51 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 147.2 | 177.1 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | R21 L25 G26 | R21-S23 PolarHBondContact O-N 2.76Å; S23-L25 PolarHBondContact O-N 3.09Å; S23-L25 VanDerWaalsContact O-N 3.09Å; S23-L25 PolarHBondContact OG-N 3.09Å; S23-G26 PolarHBondContact O-N 3.33Å |
| 24 | F | 85.9 | Confident | 67.7 | Low | 14 Ų | 14 | 80.3 Ų | 80.3 | 6% | 0.061 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.6 | 170 | 76.4 | -100.2 | 0 | 0 | 0 | 112 | G26 L92 Q95 A96 L99 L104 F109 Q112 L113 | F24-G26 VanDerWaalsContact C-N 3.3Å; F24-L92 HydrophobicContact CE2-CD2 4.49Å; F24-L92 HydrophobicContact CE2-CG 4.27Å; F24-L92 HydrophobicContact CZ-CD2 4.31Å; F24-L92 HydrophobicContact CZ-CG 4.12Å; F24-Q95 HydrophobicContact CD2-CB 4.29Å; F24-A96 HydrophobicContact CD2-CB 3.91Å; F24-A96 HydrophobicContact CE2-CB 3.91Å; F24-L99 HydrophobicContact CB-CD1 3.62Å; F24-L104 HydrophobicContact CB-CD1 3.88Å; F24-L104 HydrophobicContact CB-CD2 4.37Å; F24-L104 HydrophobicContact CD1-CD1 4.38Å; F24-L104 HydrophobicContact CG-CD1 4.44Å; F24-L104 HydrophobicContact CG-CD2 4.5Å; F24-F109 AromaticContact CD1-CD2 3.77Å; F24-F109 HydrophobicContact CD1-CD2 3.77Å; F24-F109 HydrophobicContact CD1-CE2 4.24Å; F24-F109 AromaticContact CE1-CD2 3.47Å; F24-F109 HydrophobicContact CE1-CD2 3.47Å; F24-F109 VanDerWaalsContact CE1-CD2 3.47Å; F24-F109 AromaticContact CE1-CE2 3.63Å; F24-F109 HydrophobicContact CE1-CE2 3.63Å; F24-F109 HydrophobicContact CE2-CE2 4.08Å; F24-F109 HydrophobicContact CG-CD2 4.49Å; F24-F109 AromaticContact CZ-CD2 3.91Å; F24-F109 HydrophobicContact CZ-CD2 3.91Å; F24-F109 AromaticContact CZ-CE2 3.54Å; F24-F109 HydrophobicContact CZ-CE2 3.54Å; F24-Q112 HydrophobicContact CD1-CB 4.41Å; F24-Q112 HydrophobicContact CE1-CB 4.16Å; F24-L113 HydrophobicContact CZ-CD2 4.28Å |
| 25 | L | 84.9 | Confident | 70.2 | Confident | 12 Ų | 12 | 77 Ų | 77 | 6% | 0.063 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -4.2 | 175.7 | -62.3 | 171.9 | 0 | 0 | 0 | 113.4 | S23 L29 V33 Q95 L116 | S23-L25 PolarHBondContact O-N 3.09Å; S23-L25 VanDerWaalsContact O-N 3.09Å; S23-L25 PolarHBondContact OG-N 3.09Å; L25-L29 HydrophobicContact CD1-CD1 3.49Å; L25-L29 VanDerWaalsContact CD1-CD1 3.49Å; L25-V33 HydrophobicContact CD1-CG1 4.02Å; L25-V33 HydrophobicContact CD2-CG2 4.37Å; L25-Q95 HydrophobicContact CD2-CB 4.15Å; L25-Q95 HydrophobicContact CD2-CG 4.33Å; L25-L116 HydrophobicContact CD1-CD1 3.82Å |
| 26 | G | 81.3 | Confident | 72.8 | Confident | 34 Ų | 34 | 72 Ų | 72 | 35% | 0.351 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | 97 | -165.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S23 F24 Q28 | S23-G26 PolarHBondContact O-N 3.33Å; F24-G26 VanDerWaalsContact C-N 3.3Å; G26-Q28 VanDerWaalsContact C-N 3.34Å |
| 27 | A | 75.9 | Confident | 75.3 | Confident | 96 Ų | 96 | 65 Ų | 65 | 79% | 0.793 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -74.1 | -22.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 28 | Q | 79.1 | Confident | 77.5 | Confident | 165 Ų | 165 | 71.1 Ų | 71.1 | 77% | 0.771 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -128.4 | 138.4 | 175.3 | -71.8 | -178.5 | -25.4 | 0 | 0 | 108.9 | G26 P30 | G26-Q28 VanDerWaalsContact C-N 3.34Å; Q28-P30 WeakPolarHBondContact O-CD 3.5Å |
| 29 | L | 83.4 | Confident | 79.8 | Confident | 82 Ų | 82 | 64.9 Ų | 64.9 | 43% | 0.429 | 38% | 0.377 | S | S | . | . | trans | -66.1 | 122.6 | 175.3 | 179.9 | 62.5 | 0 | 0 | 0 | 109.6 | L25 V33 A34 L116 | L25-L29 HydrophobicContact CD1-CD1 3.49Å; L25-L29 VanDerWaalsContact CD1-CD1 3.49Å; L29-V33 HydrophobicContact CD1-CB 4.13Å; L29-V33 HydrophobicContact CD1-CG1 3.94Å; L29-A34 HydrophobicContact CD2-CB 3.74Å; L29-A34 HydrophobicContact CG-CB 4.18Å; L29-L116 HydrophobicContact CD1-CD2 3.62Å; L29-L116 HydrophobicContact CD2-CD2 3.68Å; L29-L116 HydrophobicContact CG-CD2 4.34Å | ||
| 30 | P | 88.3 | Confident | 82 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | trans | -59.1 | 134.2 | 176.2 | -25.2 | 34.6 | 0 | 0 | 0 | 111.1 | Q28 E32 V33 A34 T91 | Q28-P30 WeakPolarHBondContact O-CD 3.5Å; P30-E32 WeakPolarHBondContact CB-OE2 3.42Å; P30-E32 PolarHBondContact O-N 2.89Å; P30-V33 HydrophobicContact CB-CB 4.43Å; P30-V33 HydrophobicContact CB-CG2 3.99Å; P30-V33 HydrophobicContact CG-CG2 4.25Å; P30-V33 WeakPolarHBondContact O-CB 3.46Å; P30-V33 PolarHBondContact O-N 2.95Å; P30-A34 PolarHBondContact O-N 3.27Å; P30-A34 VanDerWaalsContact O-N 3.1Å; P30-T91 HydrophobicContact CB-CG2 3.94Å; P30-T91 HydrophobicContact CG-CG2 4.07Å | ||
| 31 | P | 87.7 | Confident | 83.6 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 60% | 0.604 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.3 | -30 | -174.6 | 24.5 | -33.8 | 0 | 0 | 0 | 112.6 | V33 A34 A35 | P31-V33 VanDerWaalsContact C-N 3.34Å; P31-A34 PolarHBondContact O-N 3.22Å; P31-A35 WeakPolarHBondContact O-CB 3.33Å; P31-A35 PolarHBondContact O-N 3.42Å |
| 32 | E | 92.4 | Very high | 84.8 | Confident | 81 Ų | 81 | 60.7 Ų | 60.7 | 38% | 0.379 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 176 | -53.4 | 79.7 | -175.7 | 0 | 0 | 111.3 | P30 M36 A87 G88 | P30-E32 WeakPolarHBondContact CB-OE2 3.42Å; P30-E32 PolarHBondContact O-N 2.89Å; E32-M36 WeakPolarHBondContact O-CB 3.49Å; E32-M36 PolarHBondContact O-N 3.43Å; E32-A87 HydrophobicContact CB-CB 4.21Å; E32-A87 HydrophobicContact CG-CB 4.18Å; E32-G88 VanDerWaalsContact O-CA 3.31Å; E32-G88 WeakPolarHBondContact O-CA 3.32Å |
| 33 | V | 91.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.4 | -41.5 | 178 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | L25 L29 P30 P31 M36 A37 T91 L92 L116 | L25-V33 HydrophobicContact CD1-CG1 4.02Å; L25-V33 HydrophobicContact CD2-CG2 4.37Å; L29-V33 HydrophobicContact CD1-CB 4.13Å; L29-V33 HydrophobicContact CD1-CG1 3.94Å; P30-V33 HydrophobicContact CB-CB 4.43Å; P30-V33 HydrophobicContact CB-CG2 3.99Å; P30-V33 HydrophobicContact CG-CG2 4.25Å; P30-V33 WeakPolarHBondContact O-CB 3.46Å; P30-V33 PolarHBondContact O-N 2.95Å; P31-V33 VanDerWaalsContact C-N 3.34Å; V33-M36 HydrophobicContact CG1-CE 4.24Å; V33-M36 PolarHBondContact O-N 2.98Å; V33-A37 WeakPolarHBondContact O-CB 3.15Å; V33-A37 PolarHBondContact O-N 3.45Å; V33-T91 HydrophobicContact CG2-CG2 3.95Å; V33-L92 HydrophobicContact CG1-CD1 4.14Å; V33-L92 HydrophobicContact CG2-CB 4.2Å; V33-L116 HydrophobicContact CG1-CD1 4.07Å |
| 34 | A | 89.5 | Confident | 86.1 | Confident | 27 Ų | 27 | 58.9 Ų | 58.9 | 22% | 0.223 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L29 P30 P31 | L29-A34 HydrophobicContact CD2-CB 3.74Å; L29-A34 HydrophobicContact CG-CB 4.18Å; P30-A34 PolarHBondContact O-N 3.27Å; P30-A34 VanDerWaalsContact O-N 3.1Å; P31-A34 PolarHBondContact O-N 3.22Å |
| 35 | A | 90.1 | Very high | 86.3 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P31 A37 R38 L39 | P31-A35 WeakPolarHBondContact O-CB 3.33Å; P31-A35 PolarHBondContact O-N 3.42Å; A35-A37 PolarHBondContact O-N 3.45Å; A35-R38 PolarHBondContact O-N 2.92Å; A35-L39 WeakPolarHBondContact O-CG 3.34Å; A35-L39 PolarHBondContact O-N 3.26Å |
| 36 | M | 93.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60 | -46.1 | 177.3 | 175.7 | -151.7 | 64.8 | 0 | 0 | 111.8 | E32 V33 R38 L39 L40 L85 M89 L92 I118 | E32-M36 WeakPolarHBondContact O-CB 3.49Å; E32-M36 PolarHBondContact O-N 3.43Å; V33-M36 HydrophobicContact CG1-CE 4.24Å; V33-M36 PolarHBondContact O-N 2.98Å; M36-R38 PolarHBondContact O-N 2.94Å; M36-L39 PolarHBondContact O-N 3.17Å; M36-L40 HydrophobicContact CE-CD1 3.8Å; M36-L40 HydrophobicContact CG-CD1 3.94Å; M36-L40 HydrophobicContact CG-CG 4.03Å; M36-L40 WeakPolarHBondContact O-CG 3.37Å; M36-L40 PolarHBondContact O-N 3.33Å; M36-L40 HydrophobicContact SD-CD1 4.04Å; M36-L85 HydrophobicContact CG-CD2 3.96Å; M36-M89 VanDerWaalsContact SD-CA 3.54Å; M36-M89 HydrophobicContact SD-CB 3.79Å; M36-M89 PolarHBondContact SD-N 2.99Å; M36-L92 HydrophobicContact CE-CD1 3.79Å; M36-I118 HydrophobicContact CE-CD1 4.29Å |
| 37 | A | 89.1 | Confident | 87 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 13% | 0.132 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -53.7 | -40.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V33 A35 L39 L116 | V33-A37 WeakPolarHBondContact O-CB 3.15Å; V33-A37 PolarHBondContact O-N 3.45Å; A35-A37 PolarHBondContact O-N 3.45Å; A37-L39 VanDerWaalsContact C-N 3.32Å; A37-L39 PolarHBondContact O-N 2.95Å; A37-L116 WeakPolarHBondContact CB-O 3.41Å |
| 38 | R | 89.3 | Confident | 87.8 | Confident | 212 Ų | 212 | 61 Ų | 61 | 80% | 0.8 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.6 | -30.1 | 176.8 | -64 | 175.9 | -177.2 | -179.4 | 1.1 | 113.3 | A35 M36 | A35-R38 PolarHBondContact O-N 2.92Å; M36-R38 PolarHBondContact O-N 2.94Å |
| 39 | L | 88.2 | Confident | 88.4 | Confident | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -89.5 | -16.9 | -175.5 | -67.1 | 170.6 | 0 | 0 | 0 | 113.8 | A35 M36 A37 R81 A84 L85 | A35-L39 WeakPolarHBondContact O-CG 3.34Å; A35-L39 PolarHBondContact O-N 3.26Å; M36-L39 PolarHBondContact O-N 3.17Å; A37-L39 VanDerWaalsContact C-N 3.32Å; A37-L39 PolarHBondContact O-N 2.95Å; L39-R81 HydrophobicContact CD1-CG 4.17Å; L39-R81 HydrophobicContact CD2-CG 4.11Å; L39-R81 PolarHBondContact O-NH2 3.48Å; L39-R81 VanDerWaalsContact O-NH2 3.12Å; L39-A84 HydrophobicContact CD1-CB 3.75Å; L39-L85 HydrophobicContact CB-CD2 3.72Å; L39-L85 HydrophobicContact CB-CG 4.27Å; L39-L85 HydrophobicContact CD1-CG 4.45Å |
| 40 | L | 85.4 | Confident | 88.9 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.5 | -28.1 | -177.1 | -81.2 | 172.1 | 0 | 0 | 0 | 113.7 | M36 D42 L43 F48 L85 M89 I118 L122 | M36-L40 HydrophobicContact CE-CD1 3.8Å; M36-L40 HydrophobicContact CG-CD1 3.94Å; M36-L40 HydrophobicContact CG-CG 4.03Å; M36-L40 WeakPolarHBondContact O-CG 3.37Å; M36-L40 PolarHBondContact O-N 3.33Å; M36-L40 HydrophobicContact SD-CD1 4.04Å; L40-D42 PolarHBondContact O-N 3.48Å; L40-L43 PolarHBondContact O-N 3.15Å; L40-F48 HydrophobicContact CD2-CD2 3.69Å; L40-F48 HydrophobicContact CD2-CE2 3.77Å; L40-L85 HydrophobicContact CD2-CD2 4.14Å; L40-L85 HydrophobicContact CG-CD2 4.25Å; L40-M89 HydrophobicContact CD2-CE 4.46Å; L40-I118 HydrophobicContact CD1-CD1 4.49Å; L40-I118 HydrophobicContact CD1-CG1 4.14Å; L40-I118 HydrophobicContact CD1-CG2 4.38Å; L40-L122 HydrophobicContact CD2-CD1 4.36Å |
| 41 | G | 79.5 | Confident | 89.1 | Confident | 58 Ų | 58 | 59.9 Ų | 59.9 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 42 | D | 80.8 | Confident | 89.5 | Confident | 135 Ų | 135 | 56 Ų | 56 | 72% | 0.722 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 7.7 | -176.9 | -57.6 | -34.8 | 0 | 0 | 0 | 113.2 | L40 | L40-D42 PolarHBondContact O-N 3.48Š|
| 43 | L | 85.3 | Confident | 89.5 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | trans | -98.1 | 135 | -174.5 | -153 | 90.6 | 0 | 0 | 0 | 111.1 | L40 T47 F48 L77 L85 | L40-L43 PolarHBondContact O-N 3.15Å; L43-T47 HydrophobicContact CD1-CG2 4.07Å; L43-T47 HydrophobicContact CD2-CG2 4.09Å; L43-T47 HydrophobicContact CG-CG2 4.12Å; L43-F48 HydrophobicContact CD2-CB 3.87Å; L43-F48 HydrophobicContact CD2-CD2 4.46Å; L43-L77 HydrophobicContact CD1-CD1 4.18Å; L43-L77 HydrophobicContact CD1-CD2 4.29Å; L43-L85 HydrophobicContact CD1-CD1 3.9Å | ||
| 44 | D | 88.6 | Confident | 89.7 | Confident | 77 Ų | 77 | 60.3 Ų | 60.3 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | trans | -72.1 | 150.9 | 173.6 | 72.7 | -79.7 | 0 | 0 | 0 | 111.7 | S46 T47 F48 | D44-S46 PolarHBondContact O-N 3.35Å; D44-S46 VanDerWaalsContact O-N 3.14Å; D44-S46 WeakPolarHBondContact OD2-CA 3.39Å; D44-S46 VanDerWaalsContact OD2-CB 3.24Å; D44-S46 WeakPolarHBondContact OD2-CB 3.49Å; D44-S46 PolarHBondContact OD2-N 2.91Å; D44-S46 PolarHBondContact OD2-OG 3.21Å; D44-T47 VanDerWaalsContact CG-OG1 3.25Å; D44-T47 PolarHBondContact O-N 2.95Å; D44-T47 WeakPolarHBondContact OD1-CB 3.3Å; D44-T47 PolarHBondContact OD1-OG1 3.46Å; D44-T47 PolarHBondContact OD2-N 2.83Å; D44-T47 PolarHBondContact OD2-OG1 3.18Å; D44-F48 PolarHBondContact O-N 3.37Å | ||
| 45 | R | 88.9 | Confident | 89.9 | Confident | 139 Ų | 139 | 59.2 Ų | 59.2 | 53% | 0.525 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.8 | -24.6 | -178.2 | -64.3 | -174.6 | -178.6 | -157 | 10.3 | 113.6 | R49 D121 L122 | R45-R49 WeakPolarHBondContact O-CG 3.32Å; R45-R49 PolarHBondContact O-N 3.47Å; R45-R49 PolarHBondContact O-NE 3.17Å; R45-D121 VanDerWaalsContact CZ-CB 3.44Å; R45-D121 VanDerWaalsContact CZ-CG 3.46Å; R45-D121 IonicContact CZ-OD2 3.09Å; R45-D121 VanDerWaalsContact CZ-OD2 3.28Å; R45-D121 IonicContact NE-OD2 3.76Å; R45-D121 PolarHBondContact NE-OD2 3.08Å; R45-D121 IonicContact NH2-OD1 3.8Å; R45-D121 PolarHBondContact NH2-OD1 3.42Å; R45-D121 IonicContact NH2-OD2 2.9Å; R45-D121 PolarHBondContact NH2-OD2 3.18Å; R45-L122 HydrophobicContact CG-CD2 4.47Å |
| 46 | S | 90.3 | Very high | 90.1 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 37% | 0.371 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -76.4 | -43.3 | -179.8 | 87.7 | 0 | 0 | 0 | 0 | 110.6 | D44 R49 K50 | D44-S46 PolarHBondContact O-N 3.35Å; D44-S46 VanDerWaalsContact O-N 3.14Å; D44-S46 WeakPolarHBondContact OD2-CA 3.39Å; D44-S46 VanDerWaalsContact OD2-CB 3.24Å; D44-S46 WeakPolarHBondContact OD2-CB 3.49Å; D44-S46 PolarHBondContact OD2-N 2.91Å; D44-S46 PolarHBondContact OD2-OG 3.21Å; S46-R49 PolarHBondContact O-N 2.97Å; S46-K50 WeakPolarHBondContact O-CG 3.44Å; S46-K50 PolarHBondContact O-N 3.46Å; S46-K50 VanDerWaalsContact O-N 3.09Å |
| 47 | T | 91.1 | Very high | 90.1 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 4% | 0.043 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 175.2 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | L43 D44 R49 K50 L51 L71 A75 L77 | L43-T47 HydrophobicContact CD1-CG2 4.07Å; L43-T47 HydrophobicContact CD2-CG2 4.09Å; L43-T47 HydrophobicContact CG-CG2 4.12Å; D44-T47 VanDerWaalsContact CG-OG1 3.25Å; D44-T47 PolarHBondContact O-N 2.95Å; D44-T47 WeakPolarHBondContact OD1-CB 3.3Å; D44-T47 PolarHBondContact OD1-OG1 3.46Å; D44-T47 PolarHBondContact OD2-N 2.83Å; D44-T47 PolarHBondContact OD2-OG1 3.18Å; T47-R49 PolarHBondContact O-N 3.05Å; T47-K50 PolarHBondContact O-N 3.46Å; T47-L51 WeakPolarHBondContact O-CB 3.43Å; T47-L51 PolarHBondContact O-N 2.58Å; T47-L71 HydrophobicContact CG2-CD1 4.34Å; T47-A75 HydrophobicContact CG2-CB 3.64Å; T47-L77 HydrophobicContact CG2-CD1 4.04Å |
| 48 | F | 92.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.5 | -51.4 | 173.6 | 179.8 | -96.3 | 0 | 0 | 0 | 112 | L40 L43 D44 K50 L51 L52 M89 L122 D125 L126 | L40-F48 HydrophobicContact CD2-CD2 3.69Å; L40-F48 HydrophobicContact CD2-CE2 3.77Å; L43-F48 HydrophobicContact CD2-CB 3.87Å; L43-F48 HydrophobicContact CD2-CD2 4.46Å; D44-F48 PolarHBondContact O-N 3.37Å; F48-K50 VanDerWaalsContact C-N 3.32Å; F48-K50 PolarHBondContact O-N 3.22Å; F48-L51 WeakPolarHBondContact O-CB 3.34Å; F48-L51 PolarHBondContact O-N 2.84Å; F48-L51 VanDerWaalsContact O-N 3.12Å; F48-L52 HydrophobicContact CE1-CB 4.41Å; F48-L52 HydrophobicContact CE1-CD2 4.06Å; F48-L52 WeakPolarHBondContact O-CB 3.47Å; F48-L52 PolarHBondContact O-N 2.56Å; F48-M89 HydrophobicContact CD2-CE 3.81Å; F48-M89 HydrophobicContact CE2-CE 3.21Å; F48-M89 HydrophobicContact CZ-CE 3.8Å; F48-L122 HydrophobicContact CB-CD2 4.13Å; F48-L122 HydrophobicContact CD1-CB 4.41Å; F48-L122 HydrophobicContact CD1-CD2 3.65Å; F48-L122 HydrophobicContact CD1-CG 4.44Å; F48-L122 HydrophobicContact CD2-CD1 3.75Å; F48-L122 HydrophobicContact CD2-CD2 4.13Å; F48-L122 HydrophobicContact CD2-CG 4.34Å; F48-L122 HydrophobicContact CE1-CB 3.94Å; F48-L122 HydrophobicContact CE1-CD2 4.05Å; F48-L122 HydrophobicContact CE1-CG 4.45Å; F48-L122 HydrophobicContact CE2-CB 4.02Å; F48-L122 HydrophobicContact CE2-CD1 3.85Å; F48-L122 HydrophobicContact CE2-CD2 4.46Å; F48-L122 HydrophobicContact CE2-CG 4.32Å; F48-L122 HydrophobicContact CG-CD1 4.17Å; F48-L122 HydrophobicContact CG-CD2 3.69Å; F48-L122 HydrophobicContact CG-CG 4.38Å; F48-L122 HydrophobicContact CZ-CB 3.73Å; F48-L122 HydrophobicContact CZ-CD1 4.4Å; F48-L122 HydrophobicContact CZ-CD2 4.44Å; F48-L122 HydrophobicContact CZ-CG 4.39Å; F48-D125 HydrophobicContact CE1-CB 3.91Å; F48-L126 HydrophobicContact CZ-CD1 4.41Å; F48-L126 HydrophobicContact CZ-CD2 4.19Å; F48-L126 HydrophobicContact CZ-CG 4.04Å |
| 49 | R | 92.5 | Very high | 90.2 | Very high | 144 Ų | 144 | 51.3 Ų | 51.3 | 54% | 0.543 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.6 | -35.2 | -178.3 | -73.3 | -176.2 | -66.3 | -177 | 1 | 112.5 | R45 S46 T47 K53 D125 | R45-R49 WeakPolarHBondContact O-CG 3.32Å; R45-R49 PolarHBondContact O-N 3.47Å; R45-R49 PolarHBondContact O-NE 3.17Å; S46-R49 PolarHBondContact O-N 2.97Å; T47-R49 PolarHBondContact O-N 3.05Å; R49-K53 WeakPolarHBondContact O-CB 3.29Å; R49-K53 PolarHBondContact O-N 2.98Å; R49-D125 WeakPolarHBondContact CG-OD2 3.26Å |
| 50 | K | 93.3 | Very high | 90.3 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 171.9 | -70 | 170.8 | -174.8 | 171.2 | 0 | 111.3 | S46 T47 F48 K53 L54 L71 | S46-K50 WeakPolarHBondContact O-CG 3.44Å; S46-K50 PolarHBondContact O-N 3.46Å; S46-K50 VanDerWaalsContact O-N 3.09Å; T47-K50 PolarHBondContact O-N 3.46Å; F48-K50 VanDerWaalsContact C-N 3.32Å; F48-K50 PolarHBondContact O-N 3.22Å; K50-K53 PolarHBondContact O-N 2.88Å; K50-L54 WeakPolarHBondContact O-CB 3.08Å; K50-L54 PolarHBondContact O-N 3.38Å; K50-L71 HydrophobicContact CB-CD1 3.66Å; K50-L71 HydrophobicContact CD-CD1 3.84Å; K50-L71 HydrophobicContact CG-CD1 4.42Å |
| 51 | L | 93.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 177.9 | -166.7 | 148.7 | 0 | 0 | 0 | 111.1 | T47 F48 K53 L54 V55 L71 L82 L85 L86 M89 | T47-L51 WeakPolarHBondContact O-CB 3.43Å; T47-L51 PolarHBondContact O-N 2.58Å; F48-L51 WeakPolarHBondContact O-CB 3.34Å; F48-L51 PolarHBondContact O-N 2.84Å; F48-L51 VanDerWaalsContact O-N 3.12Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 2.88Å; L51-L54 WeakPolarHBondContact O-CB 3.24Å; L51-L54 PolarHBondContact O-N 2.91Å; L51-L54 VanDerWaalsContact O-N 3.14Å; L51-V55 HydrophobicContact CD2-CG2 4.08Å; L51-V55 WeakPolarHBondContact O-CG2 3.14Å; L51-V55 PolarHBondContact O-N 2.97Å; L51-L71 HydrophobicContact CB-CD2 4.13Å; L51-L71 HydrophobicContact CG-CD2 4.46Å; L51-L82 HydrophobicContact CD1-CD1 4.09Å; L51-L85 HydrophobicContact CD1-CB 3.64Å; L51-L85 HydrophobicContact CD1-CD1 4.14Å; L51-L85 HydrophobicContact CD1-CG 4.48Å; L51-L86 HydrophobicContact CD1-CD2 4.34Å; L51-L86 HydrophobicContact CD2-CD2 4.13Å; L51-L86 HydrophobicContact CG-CD2 3.86Å; L51-M89 HydrophobicContact CD2-CB 4.03Å; L51-M89 HydrophobicContact CD2-CE 3.5Å; L51-M89 HydrophobicContact CD2-CG 4.25Å; L51-M89 HydrophobicContact CD2-SD 3.29Å; L51-M89 WeakPolarHBondContact CD2-SD 3.48Å |
| 52 | L | 94.1 | Very high | 90.7 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.1 | -46.5 | 175.5 | -179.3 | 59.7 | 0 | 0 | 0 | 111.7 | F48 L54 V55 V56 M89 L93 D125 L126 V129 | F48-L52 HydrophobicContact CE1-CB 4.41Å; F48-L52 HydrophobicContact CE1-CD2 4.06Å; F48-L52 WeakPolarHBondContact O-CB 3.47Å; F48-L52 PolarHBondContact O-N 2.56Å; L52-L54 VanDerWaalsContact C-N 3.29Å; L52-L54 PolarHBondContact O-N 3.48Å; L52-V55 PolarHBondContact O-N 3.33Å; L52-V56 HydrophobicContact CD1-CG2 4.34Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 2.94Å; L52-M89 HydrophobicContact CB-SD 3.97Å; L52-M89 HydrophobicContact CD1-SD 3.76Å; L52-L93 HydrophobicContact CD1-CD1 3.69Å; L52-D125 HydrophobicContact CD2-CB 3.78Å; L52-L126 HydrophobicContact CD1-CD2 3.91Å; L52-V129 HydrophobicContact CD1-CG2 4.09Å; L52-V129 HydrophobicContact CD2-CG2 4.05Å; L52-V129 HydrophobicContact CG-CG2 4.2Å |
| 53 | K | 93.9 | Very high | 91.2 | Very high | 154 Ų | 154 | 55.4 Ų | 55.4 | 67% | 0.67 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | 176.3 | -173.2 | 177.6 | -179.3 | -178.7 | 0 | 111.7 | R49 K50 L51 V56 S57 | R49-K53 WeakPolarHBondContact O-CB 3.29Å; R49-K53 PolarHBondContact O-N 2.98Å; K50-K53 PolarHBondContact O-N 2.88Å; L51-K53 VanDerWaalsContact C-N 3.35Å; L51-K53 PolarHBondContact O-N 2.88Å; K53-V56 PolarHBondContact O-N 3.48Å; K53-S57 PolarHBondContact O-N 3.12Å |
| 54 | L | 94.7 | Very high | 91.4 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65 | -42 | 178.6 | -169.6 | 148.7 | 0 | 0 | 0 | 112 | K50 L51 L52 S57 S58 C64 A67 V68 L71 L86 | K50-L54 WeakPolarHBondContact O-CB 3.08Å; K50-L54 PolarHBondContact O-N 3.38Å; L51-L54 WeakPolarHBondContact O-CB 3.24Å; L51-L54 PolarHBondContact O-N 2.91Å; L51-L54 VanDerWaalsContact O-N 3.14Å; L52-L54 VanDerWaalsContact C-N 3.29Å; L52-L54 PolarHBondContact O-N 3.48Å; L54-S57 PolarHBondContact O-N 3.22Å; L54-S58 PolarHBondContact O-N 3.19Å; L54-C64 HydrophobicContact CD2-CB 3.94Å; L54-C64 HydrophobicContact CG-CB 4.08Å; L54-C64 PolarHBondContact O-SG 3.15Å; L54-A67 VanDerWaalsContact CD1-C 3.48Å; L54-A67 HydrophobicContact CD1-CB 3.67Å; L54-A67 HydrophobicContact CG-CB 4.38Å; L54-V68 HydrophobicContact CD1-CB 4.37Å; L54-V68 HydrophobicContact CD1-CG2 3.72Å; L54-V68 HydrophobicContact CD2-CG2 3.61Å; L54-V68 HydrophobicContact CG-CG2 4.27Å; L54-L71 HydrophobicContact CD1-CD2 4.43Å; L54-L86 HydrophobicContact CD2-CD2 3.68Å |
| 55 | V | 94.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 175.8 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | L51 L52 S58 L59 L86 M89 H90 L93 | L51-V55 HydrophobicContact CD2-CG2 4.08Å; L51-V55 WeakPolarHBondContact O-CG2 3.14Å; L51-V55 PolarHBondContact O-N 2.97Å; L52-V55 PolarHBondContact O-N 3.33Å; V55-S58 WeakPolarHBondContact O-CB 3.29Å; V55-S58 PolarHBondContact O-N 3.41Å; V55-L59 HydrophobicContact CG1-CD1 4.12Å; V55-L59 HydrophobicContact CG1-CG 4.45Å; V55-L59 WeakPolarHBondContact O-CG 3.36Å; V55-L59 PolarHBondContact O-N 3.4Å; V55-L86 HydrophobicContact CG2-CD2 3.85Å; V55-M89 HydrophobicContact CB-CG 4.47Å; V55-M89 HydrophobicContact CG1-CG 4.38Å; V55-M89 HydrophobicContact CG2-CB 4.16Å; V55-M89 HydrophobicContact CG2-CG 4.17Å; V55-M89 HydrophobicContact CG2-SD 4.27Å; V55-H90 HydrophobicContact CG1-CB 3.99Å; V55-L93 HydrophobicContact CG1-CD1 3.86Å |
| 56 | V | 93.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 111 | L52 K53 S58 L59 Q60 V129 L138 | L52-V56 HydrophobicContact CD1-CG2 4.34Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 2.94Å; K53-V56 PolarHBondContact O-N 3.48Å; V56-S58 VanDerWaalsContact C-N 3.31Å; V56-S58 PolarHBondContact O-N 2.92Å; V56-L59 PolarHBondContact O-N 3.48Å; V56-Q60 VanDerWaalsContact O-CG 3.3Å; V56-Q60 WeakPolarHBondContact O-CG 3.23Å; V56-Q60 PolarHBondContact O-N 3.36Å; V56-V129 HydrophobicContact CG2-CG1 3.8Å; V56-V129 HydrophobicContact CG2-CG2 3.94Å; V56-L138 HydrophobicContact CG1-CD2 4.46Å |
| 57 | S | 92.6 | Very high | 91.5 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 173 | -82.6 | 0 | 0 | 0 | 0 | 112.3 | K53 L54 L59 Q60 G61 E62 | K53-S57 PolarHBondContact O-N 3.12Å; L54-S57 PolarHBondContact O-N 3.22Å; S57-L59 PolarHBondContact O-N 3.34Å; S57-Q60 WeakPolarHBondContact O-CB 3.27Å; S57-Q60 PolarHBondContact O-N 3.44Å; S57-Q60 VanDerWaalsContact O-N 3.15Å; S57-G61 PolarHBondContact O-N 3.19Å; S57-E62 WeakPolarHBondContact CB-OE2 3.38Å; S57-E62 WeakPolarHBondContact O-CB 3.38Å; S57-E62 PolarHBondContact O-N 3.06Å; S57-E62 PolarHBondContact OG-OE2 2.69Å |
| 58 | S | 91.6 | Very high | 91.5 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 112 | L54 V55 V56 Q60 G61 C64 | L54-S58 PolarHBondContact O-N 3.19Å; V55-S58 WeakPolarHBondContact O-CB 3.29Å; V55-S58 PolarHBondContact O-N 3.41Å; V56-S58 VanDerWaalsContact C-N 3.31Å; V56-S58 PolarHBondContact O-N 2.92Å; S58-Q60 PolarHBondContact O-N 3.38Å; S58-G61 PolarHBondContact O-N 3.38Å; S58-C64 PolarHBondContact N-SG 3Å |
| 59 | L | 89.4 | Confident | 91.4 | Very high | 23 Ų | 23 | 67 Ų | 67 | 12% | 0.12 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.5 | -22.8 | 175.9 | -70.2 | 168.5 | 0 | 0 | 0 | 112.4 | V55 V56 S57 H90 L93 Q94 L97 L138 V141 | V55-L59 HydrophobicContact CG1-CD1 4.12Å; V55-L59 HydrophobicContact CG1-CG 4.45Å; V55-L59 WeakPolarHBondContact O-CG 3.36Å; V55-L59 PolarHBondContact O-N 3.4Å; V56-L59 PolarHBondContact O-N 3.48Å; S57-L59 PolarHBondContact O-N 3.34Å; L59-H90 WeakPolarHBondContact CD2-NE2 3.43Å; L59-L93 HydrophobicContact CD1-CB 3.94Å; L59-L93 HydrophobicContact CD1-CD1 4.26Å; L59-Q94 HydrophobicContact CD2-CB 4.46Å; L59-L97 HydrophobicContact CD1-CD1 3.83Å; L59-L138 HydrophobicContact CB-CD2 3.94Å; L59-V141 WeakPolarHBondContact O-CG1 3.5Å |
| 60 | Q | 89.8 | Confident | 91.2 | Very high | 50 Ų | 50 | 68.1 Ų | 68.1 | 23% | 0.234 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -6.3 | 170.9 | -67 | 172.6 | 3.8 | 0 | 0 | 112.7 | V56 S57 S58 E62 L137 L138 | V56-Q60 VanDerWaalsContact O-CG 3.3Å; V56-Q60 WeakPolarHBondContact O-CG 3.23Å; V56-Q60 PolarHBondContact O-N 3.36Å; S57-Q60 WeakPolarHBondContact O-CB 3.27Å; S57-Q60 PolarHBondContact O-N 3.44Å; S57-Q60 VanDerWaalsContact O-N 3.15Å; S58-Q60 PolarHBondContact O-N 3.38Å; Q60-E62 HydrophobicContact CB-CG 4.39Å; Q60-L137 HydrophobicContact CG-CD2 3.63Å; Q60-L138 HydrophobicContact CG-CD2 3.62Å |
| 61 | G | 85.8 | Confident | 91 | Very high | 47 Ų | 47 | 63.8 Ų | 63.8 | 49% | 0.485 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 15.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S57 S58 | S57-G61 PolarHBondContact O-N 3.19Å; S58-G61 PolarHBondContact O-N 3.38Å |
| 62 | E | 89.3 | Confident | 90.8 | Very high | 107 Ų | 107 | 68.6 Ų | 68.6 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | trans | -74.9 | 148.1 | 175.4 | -58.1 | -175.2 | 154.7 | 0 | 0 | 111.3 | S57 Q60 C64 | S57-E62 WeakPolarHBondContact CB-OE2 3.38Å; S57-E62 WeakPolarHBondContact O-CB 3.38Å; S57-E62 PolarHBondContact O-N 3.06Å; S57-E62 PolarHBondContact OG-OE2 2.69Å; Q60-E62 HydrophobicContact CB-CG 4.39Å; E62-C64 PolarHBondContact O-N 3.32Å; E62-C64 VanDerWaalsContact O-N 3.17Å | ||
| 63 | D | 89.6 | Confident | 90.5 | Very high | 124 Ų | 124 | 74 Ų | 74 | 66% | 0.663 | 37% | 0.37 | S | S | * | . | trans | -75.9 | 103.8 | 172.4 | -174.1 | 4.9 | 0 | 0 | 0 | 110.6 | R65 | D63-R65 WeakPolarHBondContact OD1-CB 3.08Å; D63-R65 WeakPolarHBondContact OD1-CD 3.44Å; D63-R65 WeakPolarHBondContact OD1-CG 3.39Å; D63-R65 PolarHBondContact OD1-N 3.02Å; D63-R65 VanDerWaalsContact OD1-N 3.09Å; D63-R65 IonicContact OD1-NE 3.2Å | ||
| 64 | C | 89.8 | Confident | 90.1 | Very high | 16 Ų | 16 | 70.1 Ų | 70.1 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | trans | -90.1 | 4 | -177.5 | -65.9 | 0 | 0 | 0 | 0 | 114.3 | L54 S58 E62 E66 A67 V68 | L54-C64 HydrophobicContact CD2-CB 3.94Å; L54-C64 HydrophobicContact CG-CB 4.08Å; L54-C64 PolarHBondContact O-SG 3.15Å; S58-C64 PolarHBondContact N-SG 3Å; E62-C64 PolarHBondContact O-N 3.32Å; E62-C64 VanDerWaalsContact O-N 3.17Å; C64-E66 PolarHBondContact O-N 2.88Å; C64-A67 PolarHBondContact O-N 3.42Å; C64-A67 VanDerWaalsContact O-N 3.09Å; C64-V68 HydrophobicContact CB-CG2 4.48Å; C64-V68 WeakPolarHBondContact O-CG2 3.39Å; C64-V68 PolarHBondContact O-N 3.4Å | ||
| 65 | R | 90.6 | Very high | 89.5 | Confident | 191 Ų | 191 | 70.4 Ų | 70.4 | 72% | 0.721 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -54.3 | -49.7 | -173.1 | -74.1 | 168.9 | -173 | -141.4 | 1.9 | 113.6 | D63 V68 Q69 | D63-R65 WeakPolarHBondContact OD1-CB 3.08Å; D63-R65 WeakPolarHBondContact OD1-CD 3.44Å; D63-R65 WeakPolarHBondContact OD1-CG 3.39Å; D63-R65 PolarHBondContact OD1-N 3.02Å; D63-R65 VanDerWaalsContact OD1-N 3.09Å; D63-R65 IonicContact OD1-NE 3.2Å; R65-V68 PolarHBondContact O-N 3.48Å; R65-Q69 WeakPolarHBondContact O-CG 3.4Å; R65-Q69 PolarHBondContact O-N 3.18Å |
| 66 | E | 90.5 | Very high | 89.1 | Confident | 122 Ų | 122 | 77.5 Ų | 77.5 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.4 | -38.2 | 178.4 | -65.5 | -168.7 | -179.1 | 0 | 0 | 112.1 | C64 V68 Q69 R70 | C64-E66 PolarHBondContact O-N 2.88Å; E66-V68 VanDerWaalsContact C-N 3.31Å; E66-V68 PolarHBondContact O-N 3.4Å; E66-Q69 PolarHBondContact O-N 3.37Å; E66-R70 WeakPolarHBondContact O-CG 3.41Å; E66-R70 PolarHBondContact O-N 3.45Å; E66-R70 IonicContact OE2-CZ 2.97Å; E66-R70 IonicContact OE2-NH2 3.41Å; E66-R70 PolarHBondContact OE2-NH2 2.91Å |
| 67 | A | 89.3 | Confident | 88.6 | Confident | 44 Ų | 44 | 77.8 Ų | 77.8 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L54 C64 R70 L71 | L54-A67 VanDerWaalsContact CD1-C 3.48Å; L54-A67 HydrophobicContact CD1-CB 3.67Å; L54-A67 HydrophobicContact CG-CB 4.38Å; C64-A67 PolarHBondContact O-N 3.42Å; C64-A67 VanDerWaalsContact O-N 3.09Å; A67-R70 PolarHBondContact O-N 3.43Å; A67-L71 WeakPolarHBondContact O-CB 3.41Å; A67-L71 PolarHBondContact O-N 3.19Å |
| 68 | V | 91 | Very high | 88.4 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 175 | 172.5 | 0 | 0 | 0 | 0 | 110.2 | L54 C64 R65 E66 L71 R72 L82 L86 | L54-V68 HydrophobicContact CD1-CB 4.37Å; L54-V68 HydrophobicContact CD1-CG2 3.72Å; L54-V68 HydrophobicContact CD2-CG2 3.61Å; L54-V68 HydrophobicContact CG-CG2 4.27Å; C64-V68 HydrophobicContact CB-CG2 4.48Å; C64-V68 WeakPolarHBondContact O-CG2 3.39Å; C64-V68 PolarHBondContact O-N 3.4Å; R65-V68 PolarHBondContact O-N 3.48Å; E66-V68 VanDerWaalsContact C-N 3.31Å; E66-V68 PolarHBondContact O-N 3.4Å; V68-L71 PolarHBondContact O-N 3.4Å; V68-R72 WeakPolarHBondContact O-CB 3.34Å; V68-R72 PolarHBondContact O-N 2.92Å; V68-L82 HydrophobicContact CG1-CD2 3.94Å; V68-L86 HydrophobicContact CG1-CD1 4.1Å; V68-L86 HydrophobicContact CG2-CD1 4.01Å |
| 69 | Q | 89.7 | Confident | 88.2 | Confident | 130 Ų | 130 | 84 Ų | 84 | 61% | 0.607 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 177.4 | -70.5 | 174.2 | -0.6 | 0 | 0 | 111.9 | R65 E66 L71 R72 V73 | R65-Q69 WeakPolarHBondContact O-CG 3.4Å; R65-Q69 PolarHBondContact O-N 3.18Å; E66-Q69 PolarHBondContact O-N 3.37Å; Q69-L71 VanDerWaalsContact C-N 3.35Å; Q69-L71 PolarHBondContact O-N 3.01Å; Q69-R72 WeakPolarHBondContact O-CB 3.42Å; Q69-R72 PolarHBondContact O-N 3.39Å; Q69-V73 WeakPolarHBondContact O-CG2 3.34Å; Q69-V73 PolarHBondContact O-N 3.14Å; Q69-V73 VanDerWaalsContact O-N 3.12Å |
| 70 | R | 89.8 | Confident | 88.3 | Confident | 166 Ų | 166 | 91.2 Ų | 91.2 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63 | -41 | 176.6 | -67.8 | 175 | -160 | 174.7 | 7.7 | 111.9 | E66 A67 V73 S74 | E66-R70 WeakPolarHBondContact O-CG 3.41Å; E66-R70 PolarHBondContact O-N 3.45Å; E66-R70 IonicContact OE2-CZ 2.97Å; E66-R70 IonicContact OE2-NH2 3.41Å; E66-R70 PolarHBondContact OE2-NH2 2.91Å; A67-R70 PolarHBondContact O-N 3.43Å; R70-V73 PolarHBondContact O-N 2.97Å; R70-S74 WeakPolarHBondContact O-CB 3.44Å; R70-S74 PolarHBondContact O-N 2.8Å; R70-S74 PolarHBondContact O-OG 2.88Å |
| 71 | L | 89.1 | Confident | 88.3 | Confident | 10 Ų | 10 | 91.7 Ų | 91.7 | 5% | 0.052 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 177.9 | -175.6 | 60.1 | 0 | 0 | 0 | 111.1 | T47 K50 L51 L54 A67 V68 Q69 V73 S74 A75 L82 | T47-L71 HydrophobicContact CG2-CD1 4.34Å; K50-L71 HydrophobicContact CB-CD1 3.66Å; K50-L71 HydrophobicContact CD-CD1 3.84Å; K50-L71 HydrophobicContact CG-CD1 4.42Å; L51-L71 HydrophobicContact CB-CD2 4.13Å; L51-L71 HydrophobicContact CG-CD2 4.46Å; L54-L71 HydrophobicContact CD1-CD2 4.43Å; A67-L71 WeakPolarHBondContact O-CB 3.41Å; A67-L71 PolarHBondContact O-N 3.19Å; V68-L71 PolarHBondContact O-N 3.4Å; Q69-L71 VanDerWaalsContact C-N 3.35Å; Q69-L71 PolarHBondContact O-N 3.01Å; L71-V73 VanDerWaalsContact C-N 3.35Å; L71-V73 PolarHBondContact O-N 2.94Å; L71-S74 WeakPolarHBondContact CA-OG 3.37Å; L71-S74 PolarHBondContact O-N 3.12Å; L71-S74 PolarHBondContact O-OG 3.45Å; L71-A75 VanDerWaalsContact O-CB 3.3Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.29Å; L71-L82 HydrophobicContact CD2-CD1 4.2Å |
| 72 | R | 88.6 | Confident | 88.5 | Confident | 104 Ų | 104 | 89.7 Ų | 89.7 | 39% | 0.392 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -53.6 | -50 | 175.9 | -176.3 | -176 | 172.2 | 168.4 | 2.9 | 111.7 | V68 Q69 D76 L77 E79 L82 | V68-R72 WeakPolarHBondContact O-CB 3.34Å; V68-R72 PolarHBondContact O-N 2.92Å; Q69-R72 WeakPolarHBondContact O-CB 3.42Å; Q69-R72 PolarHBondContact O-N 3.39Å; R72-D76 PolarHBondContact O-N 3.09Å; R72-D76 VanDerWaalsContact O-N 3.15Å; R72-L77 PolarHBondContact O-N 2.91Å; R72-E79 IonicContact CZ-OE2 3.32Å; R72-E79 VanDerWaalsContact NH1-CD 3.26Å; R72-E79 IonicContact NH1-OE1 3.88Å; R72-E79 IonicContact NH1-OE2 2.71Å; R72-E79 PolarHBondContact NH1-OE2 3.28Å; R72-E79 IonicContact NH2-OE2 2.7Å; R72-E79 PolarHBondContact NH2-OE2 3.14Å; R72-L82 HydrophobicContact CB-CD2 3.75Å; R72-L82 HydrophobicContact CG-CD2 4.31Å |
| 73 | V | 87.9 | Confident | 88.6 | Confident | 124 Ų | 124 | 86.3 Ų | 86.3 | 75% | 0.752 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 179 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | Q69 R70 L71 | Q69-V73 WeakPolarHBondContact O-CG2 3.34Å; Q69-V73 PolarHBondContact O-N 3.14Å; Q69-V73 VanDerWaalsContact O-N 3.12Å; R70-V73 PolarHBondContact O-N 2.97Å; L71-V73 VanDerWaalsContact C-N 3.35Å; L71-V73 PolarHBondContact O-N 2.94Å |
| 74 | S | 86.4 | Confident | 88.8 | Confident | 73 Ų | 73 | 81.8 Ų | 81.8 | 51% | 0.51 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -74.4 | -26.7 | -175.9 | 73.8 | 0 | 0 | 0 | 0 | 114.7 | R70 L71 | R70-S74 WeakPolarHBondContact O-CB 3.44Å; R70-S74 PolarHBondContact O-N 2.8Å; R70-S74 PolarHBondContact O-OG 2.88Å; L71-S74 WeakPolarHBondContact CA-OG 3.37Å; L71-S74 PolarHBondContact O-N 3.12Å; L71-S74 PolarHBondContact O-OG 3.45Å |
| 75 | A | 81.3 | Confident | 89 | Confident | 24 Ų | 24 | 81 Ų | 81 | 20% | 0.198 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -105.5 | -1.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | T47 L71 L77 | T47-A75 HydrophobicContact CG2-CB 3.64Å; L71-A75 VanDerWaalsContact O-CB 3.3Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.29Å; A75-L77 HydrophobicContact CB-CD1 3.8Å; A75-L77 HydrophobicContact CB-CG 3.8Å; A75-L77 PolarHBondContact O-N 3.42Å |
| 76 | D | 84.8 | Confident | 89.1 | Confident | 151 Ų | 151 | 73.3 Ų | 73.3 | 81% | 0.807 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 43 | -176.4 | -162.7 | 29.8 | 0 | 0 | 0 | 112.9 | R72 | R72-D76 PolarHBondContact O-N 3.09Å; R72-D76 VanDerWaalsContact O-N 3.15Å |
| 77 | L | 84 | Confident | 89.3 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 7% | 0.073 | 38% | 0.375 | C | S | . | . | trans | -94.2 | 135.5 | -177 | -69.3 | 173.1 | 0 | 0 | 0 | 111.1 | L43 T47 R72 A75 L82 | L43-L77 HydrophobicContact CD1-CD1 4.18Å; L43-L77 HydrophobicContact CD1-CD2 4.29Å; T47-L77 HydrophobicContact CG2-CD1 4.04Å; R72-L77 PolarHBondContact O-N 2.91Å; A75-L77 HydrophobicContact CB-CD1 3.8Å; A75-L77 HydrophobicContact CB-CG 3.8Å; A75-L77 PolarHBondContact O-N 3.42Å; L77-L82 HydrophobicContact CB-CB 4.49Å; L77-L82 HydrophobicContact CD1-CD1 4.38Å | ||
| 78 | P | 88.6 | Confident | 89.5 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | trans | -56.7 | 145.4 | 167 | -22.3 | 32 | 0 | 0 | 0 | 111.3 | E80 R81 L82 | P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 PolarHBondContact O-N 3.25Å; P78-R81 HydrophobicContact CB-CB 4.21Å; P78-R81 HydrophobicContact CG-CB 4.43Å; P78-R81 PolarHBondContact O-N 2.97Å; P78-L82 PolarHBondContact O-N 2.91Å | ||
| 79 | E | 88.1 | Confident | 89.7 | Confident | 125 Ų | 125 | 65.4 Ų | 65.4 | 58% | 0.584 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.7 | -42.6 | -177.8 | -173.4 | 164.4 | -179.8 | 0 | 0 | 112.5 | R72 R81 L82 G83 | R72-E79 IonicContact CZ-OE2 3.32Å; R72-E79 VanDerWaalsContact NH1-CD 3.26Å; R72-E79 IonicContact NH1-OE1 3.88Å; R72-E79 IonicContact NH1-OE2 2.71Å; R72-E79 PolarHBondContact NH1-OE2 3.28Å; R72-E79 IonicContact NH2-OE2 2.7Å; R72-E79 PolarHBondContact NH2-OE2 3.14Å; E79-R81 VanDerWaalsContact C-N 3.35Å; E79-R81 PolarHBondContact O-N 3.24Å; E79-L82 PolarHBondContact O-N 2.8Å; E79-G83 PolarHBondContact O-N 3.46Å |
| 80 | E | 89.7 | Confident | 89.9 | Confident | 174 Ų | 174 | 61.8 Ų | 61.8 | 81% | 0.813 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 177.2 | -63.8 | 169.6 | -177.1 | 0 | 0 | 111.6 | P78 G83 A84 | P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 PolarHBondContact O-N 3.25Å; E80-G83 PolarHBondContact O-N 3.49Å; E80-A84 WeakPolarHBondContact O-CB 3.38Å; E80-A84 PolarHBondContact O-N 3.48Å |
| 81 | R | 90.2 | Very high | 90 | Very high | 59 Ų | 59 | 55.1 Ų | 55.1 | 22% | 0.223 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 178.5 | -173.4 | 175.8 | -179.8 | -158.5 | -2.2 | 111.1 | L39 P78 E79 A84 L85 | L39-R81 HydrophobicContact CD1-CG 4.17Å; L39-R81 HydrophobicContact CD2-CG 4.11Å; L39-R81 PolarHBondContact O-NH2 3.48Å; L39-R81 VanDerWaalsContact O-NH2 3.12Å; P78-R81 HydrophobicContact CB-CB 4.21Å; P78-R81 HydrophobicContact CG-CB 4.43Å; P78-R81 PolarHBondContact O-N 2.97Å; E79-R81 VanDerWaalsContact C-N 3.35Å; E79-R81 PolarHBondContact O-N 3.24Å; R81-A84 PolarHBondContact O-N 3.49Å; R81-L85 HydrophobicContact CG-CD1 4.26Å; R81-L85 VanDerWaalsContact O-CG 3.29Å; R81-L85 WeakPolarHBondContact O-CG 3.47Å; R81-L85 PolarHBondContact O-N 3.33Å |
| 82 | L | 91.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -42.8 | 176.8 | -179.5 | 59.8 | 0 | 0 | 0 | 111.4 | L51 V68 L71 R72 L77 P78 E79 L85 L86 | L51-L82 HydrophobicContact CD1-CD1 4.09Å; V68-L82 HydrophobicContact CG1-CD2 3.94Å; L71-L82 HydrophobicContact CD2-CD1 4.2Å; R72-L82 HydrophobicContact CB-CD2 3.75Å; R72-L82 HydrophobicContact CG-CD2 4.31Å; L77-L82 HydrophobicContact CB-CB 4.49Å; L77-L82 HydrophobicContact CD1-CD1 4.38Å; P78-L82 PolarHBondContact O-N 2.91Å; E79-L82 PolarHBondContact O-N 2.8Å; L82-L85 PolarHBondContact O-N 3.43Å; L82-L86 HydrophobicContact CD1-CD1 4.07Å; L82-L86 HydrophobicContact CD1-CG 4.1Å; L82-L86 HydrophobicContact CG-CD1 3.94Å; L82-L86 HydrophobicContact CG-CG 4.39Å; L82-L86 WeakPolarHBondContact O-CB 3.33Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.26Å; L82-L86 PolarHBondContact O-N 3Å |
| 83 | G | 91.3 | Very high | 90.5 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E79 E80 L85 L86 A87 | E79-G83 PolarHBondContact O-N 3.46Å; E80-G83 PolarHBondContact O-N 3.49Å; G83-L85 PolarHBondContact O-N 3Å; G83-L86 PolarHBondContact O-N 2.91Å; G83-A87 VanDerWaalsContact O-CB 3.27Å; G83-A87 WeakPolarHBondContact O-CB 3.12Å; G83-A87 PolarHBondContact O-N 2.94Å |
| 84 | A | 93.1 | Very high | 90.6 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L39 E80 R81 G88 | L39-A84 HydrophobicContact CD1-CB 3.75Å; E80-A84 WeakPolarHBondContact O-CB 3.38Å; E80-A84 PolarHBondContact O-N 3.48Å; R81-A84 PolarHBondContact O-N 3.49Å; A84-G88 PolarHBondContact O-N 3.28Å |
| 85 | L | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 177.1 | -72 | 168.7 | 0 | 0 | 0 | 112.2 | M36 L39 L40 L43 L51 R81 L82 G83 M89 | M36-L85 HydrophobicContact CG-CD2 3.96Å; L39-L85 HydrophobicContact CB-CD2 3.72Å; L39-L85 HydrophobicContact CB-CG 4.27Å; L39-L85 HydrophobicContact CD1-CG 4.45Å; L40-L85 HydrophobicContact CD2-CD2 4.14Å; L40-L85 HydrophobicContact CG-CD2 4.25Å; L43-L85 HydrophobicContact CD1-CD1 3.9Å; L51-L85 HydrophobicContact CD1-CB 3.64Å; L51-L85 HydrophobicContact CD1-CD1 4.14Å; L51-L85 HydrophobicContact CD1-CG 4.48Å; R81-L85 HydrophobicContact CG-CD1 4.26Å; R81-L85 VanDerWaalsContact O-CG 3.29Å; R81-L85 WeakPolarHBondContact O-CG 3.47Å; R81-L85 PolarHBondContact O-N 3.33Å; L82-L85 PolarHBondContact O-N 3.43Å; G83-L85 PolarHBondContact O-N 3Å; L85-M89 VanDerWaalsContact O-CB 3.23Å; L85-M89 WeakPolarHBondContact O-CB 3.41Å; L85-M89 PolarHBondContact O-N 3.26Å |
| 86 | L | 93.8 | Very high | 91.3 | Very high | 30 Ų | 30 | 45 Ų | 45 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -47.4 | 178.1 | -72.5 | 173.9 | 0 | 0 | 0 | 111.5 | L51 L54 V55 V68 L82 G83 M89 H90 | L51-L86 HydrophobicContact CD1-CD2 4.34Å; L51-L86 HydrophobicContact CD2-CD2 4.13Å; L51-L86 HydrophobicContact CG-CD2 3.86Å; L54-L86 HydrophobicContact CD2-CD2 3.68Å; V55-L86 HydrophobicContact CG2-CD2 3.85Å; V68-L86 HydrophobicContact CG1-CD1 4.1Å; V68-L86 HydrophobicContact CG2-CD1 4.01Å; L82-L86 HydrophobicContact CD1-CD1 4.07Å; L82-L86 HydrophobicContact CD1-CG 4.1Å; L82-L86 HydrophobicContact CG-CD1 3.94Å; L82-L86 HydrophobicContact CG-CG 4.39Å; L82-L86 WeakPolarHBondContact O-CB 3.33Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.26Å; L82-L86 PolarHBondContact O-N 3Å; G83-L86 PolarHBondContact O-N 2.91Å; L86-M89 PolarHBondContact O-N 2.97Å; L86-H90 WeakPolarHBondContact O-CB 3.29Å; L86-H90 PolarHBondContact O-N 3.22Å |
| 87 | A | 93.4 | Very high | 91.5 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.1 | -48.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E32 G83 M89 H90 T91 | E32-A87 HydrophobicContact CB-CB 4.21Å; E32-A87 HydrophobicContact CG-CB 4.18Å; G83-A87 VanDerWaalsContact O-CB 3.27Å; G83-A87 WeakPolarHBondContact O-CB 3.12Å; G83-A87 PolarHBondContact O-N 2.94Å; A87-M89 PolarHBondContact O-N 2.98Å; A87-H90 PolarHBondContact O-N 3.14Å; A87-T91 WeakPolarHBondContact O-CB 3.31Å; A87-T91 PolarHBondContact O-N 3.34Å; A87-T91 PolarHBondContact O-OG1 3.04Å |
| 88 | G | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E32 A84 T91 L92 | E32-G88 VanDerWaalsContact O-CA 3.31Å; E32-G88 WeakPolarHBondContact O-CA 3.32Å; A84-G88 PolarHBondContact O-N 3.28Å; G88-T91 PolarHBondContact O-N 3.37Å; G88-L92 VanDerWaalsContact O-CB 3.26Å; G88-L92 WeakPolarHBondContact O-CB 3.38Å; G88-L92 PolarHBondContact O-N 3.1Å |
| 89 | M | 94.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.1 | -40.3 | -179.3 | -171.7 | 170.4 | -65.5 | 0 | 0 | 111.9 | M36 L40 F48 L51 L52 V55 L85 L86 A87 L92 L93 | M36-M89 VanDerWaalsContact SD-CA 3.54Å; M36-M89 HydrophobicContact SD-CB 3.79Å; M36-M89 PolarHBondContact SD-N 2.99Å; L40-M89 HydrophobicContact CD2-CE 4.46Å; F48-M89 HydrophobicContact CD2-CE 3.81Å; F48-M89 HydrophobicContact CE2-CE 3.21Å; F48-M89 HydrophobicContact CZ-CE 3.8Å; L51-M89 HydrophobicContact CD2-CB 4.03Å; L51-M89 HydrophobicContact CD2-CE 3.5Å; L51-M89 HydrophobicContact CD2-CG 4.25Å; L51-M89 HydrophobicContact CD2-SD 3.29Å; L51-M89 WeakPolarHBondContact CD2-SD 3.48Å; L52-M89 HydrophobicContact CB-SD 3.97Å; L52-M89 HydrophobicContact CD1-SD 3.76Å; V55-M89 HydrophobicContact CB-CG 4.47Å; V55-M89 HydrophobicContact CG1-CG 4.38Å; V55-M89 HydrophobicContact CG2-CB 4.16Å; V55-M89 HydrophobicContact CG2-CG 4.17Å; V55-M89 HydrophobicContact CG2-SD 4.27Å; L85-M89 VanDerWaalsContact O-CB 3.23Å; L85-M89 WeakPolarHBondContact O-CB 3.41Å; L85-M89 PolarHBondContact O-N 3.26Å; L86-M89 PolarHBondContact O-N 2.97Å; A87-M89 PolarHBondContact O-N 2.98Å; M89-L92 PolarHBondContact O-N 3.31Å; M89-L93 HydrophobicContact CG-CD1 4.21Å; M89-L93 WeakPolarHBondContact O-CB 3.48Å; M89-L93 WeakPolarHBondContact O-CG 3.47Å; M89-L93 PolarHBondContact O-N 2.88Å |
| 90 | H | 93.6 | Very high | 90.9 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 25% | 0.25 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -49.9 | 173.5 | 179.7 | -81.8 | 0 | 0 | 0 | 110.9 | V55 L59 L86 A87 L92 L93 Q94 | V55-H90 HydrophobicContact CG1-CB 3.99Å; L59-H90 WeakPolarHBondContact CD2-NE2 3.43Å; L86-H90 WeakPolarHBondContact O-CB 3.29Å; L86-H90 PolarHBondContact O-N 3.22Å; A87-H90 PolarHBondContact O-N 3.14Å; H90-L92 PolarHBondContact O-N 3.05Å; H90-L93 PolarHBondContact O-N 3.33Å; H90-Q94 PolarHBondContact CE1-OE1 2.92Å; H90-Q94 WeakPolarHBondContact O-CB 3.39Å; H90-Q94 PolarHBondContact O-N 2.9Å |
| 91 | T | 93 | Very high | 90.1 | Very high | 25 Ų | 25 | 38 Ų | 38 | 15% | 0.153 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 178.9 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | P30 V33 A87 G88 Q94 Q95 | P30-T91 HydrophobicContact CB-CG2 3.94Å; P30-T91 HydrophobicContact CG-CG2 4.07Å; V33-T91 HydrophobicContact CG2-CG2 3.95Å; A87-T91 WeakPolarHBondContact O-CB 3.31Å; A87-T91 PolarHBondContact O-N 3.34Å; A87-T91 PolarHBondContact O-OG1 3.04Å; G88-T91 PolarHBondContact O-N 3.37Å; T91-Q94 PolarHBondContact O-N 3.13Å; T91-Q95 HydrophobicContact CG2-CG 4.41Å; T91-Q95 WeakPolarHBondContact O-CG 3.42Å; T91-Q95 PolarHBondContact O-N 3.47Å |
| 92 | L | 94.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -52.5 | 178.2 | -176.1 | 157.9 | 0 | 0 | 0 | 111.4 | F24 V33 M36 G88 M89 H90 Q95 A96 F109 L113 I118 | F24-L92 HydrophobicContact CE2-CD2 4.49Å; F24-L92 HydrophobicContact CE2-CG 4.27Å; F24-L92 HydrophobicContact CZ-CD2 4.31Å; F24-L92 HydrophobicContact CZ-CG 4.12Å; V33-L92 HydrophobicContact CG1-CD1 4.14Å; V33-L92 HydrophobicContact CG2-CB 4.2Å; M36-L92 HydrophobicContact CE-CD1 3.79Å; G88-L92 VanDerWaalsContact O-CB 3.26Å; G88-L92 WeakPolarHBondContact O-CB 3.38Å; G88-L92 PolarHBondContact O-N 3.1Å; M89-L92 PolarHBondContact O-N 3.31Å; H90-L92 PolarHBondContact O-N 3.05Å; L92-Q95 PolarHBondContact O-N 3.34Å; L92-A96 PolarHBondContact O-N 3.09Å; L92-A96 VanDerWaalsContact O-N 3.14Å; L92-F109 HydrophobicContact CD2-CE2 4.46Å; L92-F109 HydrophobicContact CD2-CZ 4.32Å; L92-L113 HydrophobicContact CD1-CD2 3.72Å; L92-L113 HydrophobicContact CD2-CD2 4.19Å; L92-L113 HydrophobicContact CG-CD2 4.36Å; L92-I118 HydrophobicContact CD1-CD1 4.1Å |
| 93 | L | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 179.4 | -70.4 | 177.3 | 0 | 0 | 0 | 111 | L52 V55 L59 M89 H90 Q95 A96 L97 L126 V129 V130 | L52-L93 HydrophobicContact CD1-CD1 3.69Å; V55-L93 HydrophobicContact CG1-CD1 3.86Å; L59-L93 HydrophobicContact CD1-CB 3.94Å; L59-L93 HydrophobicContact CD1-CD1 4.26Å; M89-L93 HydrophobicContact CG-CD1 4.21Å; M89-L93 WeakPolarHBondContact O-CB 3.48Å; M89-L93 WeakPolarHBondContact O-CG 3.47Å; M89-L93 PolarHBondContact O-N 2.88Å; H90-L93 PolarHBondContact O-N 3.33Å; L93-Q95 PolarHBondContact O-N 2.94Å; L93-A96 PolarHBondContact O-N 3.27Å; L93-L97 HydrophobicContact CB-CD1 4.35Å; L93-L97 VanDerWaalsContact O-CB 3.25Å; L93-L97 WeakPolarHBondContact O-CB 3.45Å; L93-L97 WeakPolarHBondContact O-CD1 3.18Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 2.9Å; L93-L126 HydrophobicContact CD2-CD2 4Å; L93-L126 HydrophobicContact CG-CD2 4.47Å; L93-V129 HydrophobicContact CD1-CG1 4.35Å; L93-V129 HydrophobicContact CD2-CB 4.43Å; L93-V129 HydrophobicContact CD2-CG1 4.18Å; L93-V130 HydrophobicContact CD2-CG2 3.86Å |
| 94 | Q | 90.4 | Very high | 88.8 | Confident | 79 Ų | 79 | 42.6 Ų | 42.6 | 37% | 0.369 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 178.9 | -171.1 | 178.4 | 27.8 | 0 | 0 | 111.7 | L59 H90 T91 L97 R98 | L59-Q94 HydrophobicContact CD2-CB 4.46Å; H90-Q94 PolarHBondContact CE1-OE1 2.92Å; H90-Q94 WeakPolarHBondContact O-CB 3.39Å; H90-Q94 PolarHBondContact O-N 2.9Å; T91-Q94 PolarHBondContact O-N 3.13Å; Q94-L97 PolarHBondContact O-N 3.01Å; Q94-R98 WeakPolarHBondContact O-CG 3.49Å; Q94-R98 PolarHBondContact O-N 3.42Å |
| 95 | Q | 90.3 | Very high | 88.6 | Confident | 44 Ų | 44 | 48 Ų | 48 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -41 | 177.2 | -63 | -43.4 | -44.4 | 0 | 0 | 112 | F24 L25 T91 L92 L93 L97 R98 | F24-Q95 HydrophobicContact CD2-CB 4.29Å; L25-Q95 HydrophobicContact CD2-CB 4.15Å; L25-Q95 HydrophobicContact CD2-CG 4.33Å; T91-Q95 HydrophobicContact CG2-CG 4.41Å; T91-Q95 WeakPolarHBondContact O-CG 3.42Å; T91-Q95 PolarHBondContact O-N 3.47Å; L92-Q95 PolarHBondContact O-N 3.34Å; L93-Q95 PolarHBondContact O-N 2.94Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 3.38Å; Q95-R98 PolarHBondContact O-N 2.8Å |
| 96 | A | 90.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -36 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F24 L92 L93 L104 F109 V130 R135 | F24-A96 HydrophobicContact CD2-CB 3.91Å; F24-A96 HydrophobicContact CE2-CB 3.91Å; L92-A96 PolarHBondContact O-N 3.09Å; L92-A96 VanDerWaalsContact O-N 3.14Å; L93-A96 PolarHBondContact O-N 3.27Å; A96-L104 HydrophobicContact CB-CD2 4.15Å; A96-F109 HydrophobicContact CB-CE2 3.9Å; A96-V130 HydrophobicContact CB-CG1 4.03Å; A96-V130 HydrophobicContact CB-CG2 3.89Å; A96-R135 PolarHBondContact O-NH1 2.9Å |
| 97 | L | 89.3 | Confident | 88.1 | Confident | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -78.3 | -19.1 | 179 | -66.2 | 169.9 | 0 | 0 | 0 | 113.3 | L59 L93 Q94 Q95 L99 R135 L138 | L59-L97 HydrophobicContact CD1-CD1 3.83Å; L93-L97 HydrophobicContact CB-CD1 4.35Å; L93-L97 VanDerWaalsContact O-CB 3.25Å; L93-L97 WeakPolarHBondContact O-CB 3.45Å; L93-L97 WeakPolarHBondContact O-CD1 3.18Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 2.9Å; Q94-L97 PolarHBondContact O-N 3.01Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 3.38Å; L97-L99 VanDerWaalsContact C-N 3.31Å; L97-R135 VanDerWaalsContact C-NH2 3.33Å; L97-R135 PolarHBondContact O-NH2 3.4Å; L97-L138 HydrophobicContact CD1-CD1 3.93Å; L97-L138 HydrophobicContact CD2-CD1 4.15Å |
| 98 | R | 85 | Confident | 87.9 | Confident | 153 Ų | 153 | 55 Ų | 55 | 58% | 0.577 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -74.2 | -23.9 | 173.7 | -77.7 | 173.2 | 80.3 | -166 | 10 | 113 | Q94 Q95 | Q94-R98 WeakPolarHBondContact O-CG 3.49Å; Q94-R98 PolarHBondContact O-N 3.42Å; Q95-R98 PolarHBondContact O-N 2.8Å |
| 99 | L | 84.1 | Confident | 87.8 | Confident | 52 Ų | 52 | 55 Ų | 55 | 27% | 0.272 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -79.3 | 139.4 | 178.8 | -63 | 180 | 0 | 0 | 0 | 110.9 | F24 L97 L104 R135 | F24-L99 HydrophobicContact CB-CD1 3.62Å; L97-L99 VanDerWaalsContact C-N 3.31Å; L99-L104 HydrophobicContact CD1-CB 4.24Å; L99-L104 HydrophobicContact CD1-CD1 4.47Å; L99-L104 HydrophobicContact CD1-CD2 4.46Å; L99-R135 PolarHBondContact O-NH2 2.95Å |
| 100 | P | 78.9 | Confident | 87.6 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | trans | -56.7 | 144.3 | 172.2 | -24 | 33.4 | 0 | 0 | 0 | 111.4 | A102 S103 | P100-A102 PolarHBondContact O-N 3.24Å; P100-S103 WeakPolarHBondContact O-CB 3.41Å; P100-S103 PolarHBondContact O-N 3.14Å | ||
| 101 | P | 74.5 | Confident | 87.4 | Confident | 88 Ų | 88 | 61.5 Ų | 61.5 | 57% | 0.571 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -27.9 | -178.2 | -25.9 | 33.2 | 0 | 0 | 0 | 114.4 | S103 | P101-S103 VanDerWaalsContact C-N 3.34Š|
| 102 | A | 76 | Confident | 87.3 | Confident | 101 Ų | 101 | 60.9 Ų | 60.9 | 84% | 0.835 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -18.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P100 | P100-A102 PolarHBondContact O-N 3.24Š|
| 103 | S | 81 | Confident | 87.1 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 58% | 0.58 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -36.2 | -173.5 | -169.4 | 0 | 0 | 0 | 0 | 112.8 | P100 P101 | P100-S103 WeakPolarHBondContact O-CB 3.41Å; P100-S103 PolarHBondContact O-N 3.14Å; P101-S103 VanDerWaalsContact C-N 3.34Å |
| 104 | L | 86.6 | Confident | 86.9 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -103.4 | 113 | -176.6 | -175.6 | 63.5 | 0 | 0 | 0 | 109.8 | F24 A96 L99 F109 V130 F131 | F24-L104 HydrophobicContact CB-CD1 3.88Å; F24-L104 HydrophobicContact CB-CD2 4.37Å; F24-L104 HydrophobicContact CD1-CD1 4.38Å; F24-L104 HydrophobicContact CG-CD1 4.44Å; F24-L104 HydrophobicContact CG-CD2 4.5Å; A96-L104 HydrophobicContact CB-CD2 4.15Å; L99-L104 HydrophobicContact CD1-CB 4.24Å; L99-L104 HydrophobicContact CD1-CD1 4.47Å; L99-L104 HydrophobicContact CD1-CD2 4.46Å; L104-F109 HydrophobicContact CD1-CB 4.29Å; L104-F109 HydrophobicContact CD2-CB 4.35Å; L104-F109 HydrophobicContact CD2-CD2 3.87Å; L104-F109 HydrophobicContact CD2-CG 4.4Å; L104-F109 HydrophobicContact CG-CB 4.26Å; L104-V130 HydrophobicContact CD2-CG1 4.29Å; L104-F131 HydrophobicContact CD2-CZ 4.05Å; L104-F131 HydrophobicContact CG-CE1 4.39Å; L104-F131 HydrophobicContact CG-CZ 4.02Å; L104-F131 WeakPolarHBondContact O-CE1 3.46Å |
| 105 | K | 88.9 | Confident | 86.8 | Confident | 142 Ų | 142 | 67.3 Ų | 67.3 | 62% | 0.617 | 36% | 0.358 | S | S | * | . | trans | -81.5 | 141.4 | 176.9 | -66.2 | -179.6 | -178 | 176.3 | 0 | 110.7 | D107 T108 F109 | K105-D107 VanDerWaalsContact C-N 3.29Å; K105-D107 PolarHBondContact O-N 2.66Å; K105-T108 PolarHBondContact O-N 3.47Å; K105-F109 PolarHBondContact O-N 3.14Å | ||
| 106 | P | 89.6 | Confident | 86.7 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 40% | 0.403 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56 | -40.2 | 178.7 | -27.2 | 34.8 | 0 | 0 | 0 | 114 | F109 R110 F131 | P106-F109 PolarHBondContact O-N 2.95Å; P106-R110 VanDerWaalsContact O-CG 3.26Å; P106-R110 WeakPolarHBondContact O-CG 3.47Å; P106-R110 PolarHBondContact O-N 3.4Å; P106-F131 HydrophobicContact CB-CD2 4.29Å; P106-F131 HydrophobicContact CB-CE2 4.14Å; P106-F131 HydrophobicContact CB-CZ 4.37Å; P106-F131 HydrophobicContact CG-CD1 4.15Å; P106-F131 HydrophobicContact CG-CD2 4.36Å; P106-F131 HydrophobicContact CG-CE1 4.17Å; P106-F131 HydrophobicContact CG-CE2 4.37Å; P106-F131 HydrophobicContact CG-CG 4.25Å; P106-F131 HydrophobicContact CG-CZ 4.28Å |
| 107 | D | 89.1 | Confident | 86.5 | Confident | 114 Ų | 114 | 71.5 Ų | 71.5 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66 | -46.2 | -179.9 | -56.8 | -37.1 | 0 | 0 | 0 | 111.1 | K105 F109 R110 D111 | K105-D107 VanDerWaalsContact C-N 3.29Å; K105-D107 PolarHBondContact O-N 2.66Å; D107-F109 VanDerWaalsContact C-N 3.3Å; D107-F109 PolarHBondContact O-N 3.29Å; D107-R110 WeakPolarHBondContact O-CB 3.19Å; D107-R110 PolarHBondContact O-N 2.6Å; D107-R110 VanDerWaalsContact O-N 3.12Å; D107-D111 VanDerWaalsContact O-CG 3.23Å; D107-D111 PolarHBondContact O-N 3.32Å |
| 108 | T | 88.8 | Confident | 86.5 | Confident | 40 Ų | 40 | 70.7 Ų | 70.7 | 25% | 0.245 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 177.3 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | K105 Q112 | K105-T108 PolarHBondContact O-N 3.47Å; T108-Q112 WeakPolarHBondContact O-CB 3.37Å; T108-Q112 WeakPolarHBondContact O-CG 3.36Å; T108-Q112 PolarHBondContact O-N 3.25Å; T108-Q112 VanDerWaalsContact O-N 3.09Å |
| 109 | F | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 173.8 | 178.3 | -105.5 | 0 | 0 | 0 | 111.5 | F24 L92 A96 L104 K105 P106 D107 Q112 L113 L126 A127 V130 F131 | F24-F109 AromaticContact CD1-CD2 3.77Å; F24-F109 HydrophobicContact CD1-CD2 3.77Å; F24-F109 HydrophobicContact CD1-CE2 4.24Å; F24-F109 AromaticContact CE1-CD2 3.47Å; F24-F109 HydrophobicContact CE1-CD2 3.47Å; F24-F109 VanDerWaalsContact CE1-CD2 3.47Å; F24-F109 AromaticContact CE1-CE2 3.63Å; F24-F109 HydrophobicContact CE1-CE2 3.63Å; F24-F109 HydrophobicContact CE2-CE2 4.08Å; F24-F109 HydrophobicContact CG-CD2 4.49Å; F24-F109 AromaticContact CZ-CD2 3.91Å; F24-F109 HydrophobicContact CZ-CD2 3.91Å; F24-F109 AromaticContact CZ-CE2 3.54Å; F24-F109 HydrophobicContact CZ-CE2 3.54Å; L92-F109 HydrophobicContact CD2-CE2 4.46Å; L92-F109 HydrophobicContact CD2-CZ 4.32Å; A96-F109 HydrophobicContact CB-CE2 3.9Å; L104-F109 HydrophobicContact CD1-CB 4.29Å; L104-F109 HydrophobicContact CD2-CB 4.35Å; L104-F109 HydrophobicContact CD2-CD2 3.87Å; L104-F109 HydrophobicContact CD2-CG 4.4Å; L104-F109 HydrophobicContact CG-CB 4.26Å; K105-F109 PolarHBondContact O-N 3.14Å; P106-F109 PolarHBondContact O-N 2.95Å; D107-F109 VanDerWaalsContact C-N 3.3Å; D107-F109 PolarHBondContact O-N 3.29Å; F109-Q112 PolarHBondContact O-N 3.38Å; F109-L113 HydrophobicContact CD1-CD1 3.87Å; F109-L113 HydrophobicContact CD1-CG 4.45Å; F109-L113 HydrophobicContact CE1-CD1 3.32Å; F109-L113 HydrophobicContact CE1-CG 4.17Å; F109-L113 HydrophobicContact CE2-CD1 4.28Å; F109-L113 HydrophobicContact CE2-CD2 4.36Å; F109-L113 HydrophobicContact CE2-CG 4.37Å; F109-L113 HydrophobicContact CZ-CD1 3.57Å; F109-L113 HydrophobicContact CZ-CD2 4.25Å; F109-L113 HydrophobicContact CZ-CG 4.13Å; F109-L113 WeakPolarHBondContact O-CG 3.38Å; F109-L113 PolarHBondContact O-N 3.46Å; F109-L126 HydrophobicContact CE1-CB 4.36Å; F109-L126 HydrophobicContact CZ-CB 4.45Å; F109-A127 HydrophobicContact CD1-CB 4.37Å; F109-A127 HydrophobicContact CE1-CB 4.25Å; F109-V130 HydrophobicContact CE1-CG2 4.31Å; F109-V130 HydrophobicContact CE2-CG2 4.28Å; F109-V130 HydrophobicContact CZ-CB 4.47Å; F109-V130 HydrophobicContact CZ-CG2 3.79Å; F109-F131 HydrophobicContact CB-CE2 3.89Å; F109-F131 HydrophobicContact CB-CZ 3.87Å; F109-F131 AromaticContact CD1-CE2 3.64Å; F109-F131 HydrophobicContact CD1-CE2 3.64Å; F109-F131 HydrophobicContact CD1-CZ 4.37Å; F109-F131 HydrophobicContact CE1-CE2 4.32Å; F109-F131 AromaticContact CG-CE2 3.86Å; F109-F131 HydrophobicContact CG-CE2 3.86Å; F109-F131 HydrophobicContact CG-CZ 4.12Å |
| 110 | R | 91.4 | Very high | 86.5 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 46% | 0.457 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 178 | -70.3 | 172.2 | 179.1 | -133.9 | 0.6 | 112 | P106 D107 Q112 L113 Q114 V123 | P106-R110 VanDerWaalsContact O-CG 3.26Å; P106-R110 WeakPolarHBondContact O-CG 3.47Å; P106-R110 PolarHBondContact O-N 3.4Å; D107-R110 WeakPolarHBondContact O-CB 3.19Å; D107-R110 PolarHBondContact O-N 2.6Å; D107-R110 VanDerWaalsContact O-N 3.12Å; R110-Q112 VanDerWaalsContact C-N 3.32Å; R110-Q112 PolarHBondContact O-N 3.14Å; R110-L113 PolarHBondContact O-N 3.36Å; R110-Q114 PolarHBondContact O-N 2.88Å; R110-V123 HydrophobicContact CB-CG1 4.14Å; R110-V123 HydrophobicContact CG-CG1 3.76Å |
| 111 | D | 89.7 | Confident | 86.8 | Confident | 71 Ų | 71 | 69.2 Ų | 69.2 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.8 | -47.2 | 176.4 | -66.5 | -17.9 | 0 | 0 | 0 | 110.6 | D107 L113 Q114 E115 | D107-D111 VanDerWaalsContact O-CG 3.23Å; D107-D111 PolarHBondContact O-N 3.32Å; D111-L113 PolarHBondContact O-N 3.33Å; D111-Q114 WeakPolarHBondContact O-CB 3.47Å; D111-Q114 PolarHBondContact O-N 3.31Å; D111-Q114 VanDerWaalsContact O-N 3.14Å; D111-E115 WeakPolarHBondContact O-CG 3.36Å; D111-E115 PolarHBondContact O-N 2.91Å |
| 112 | Q | 89.2 | Confident | 87.5 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.4 | -35.2 | 180 | -73.3 | -179.6 | -11.8 | 0 | 0 | 112.9 | F24 T108 F109 R110 Q114 E115 L116 | F24-Q112 HydrophobicContact CD1-CB 4.41Å; F24-Q112 HydrophobicContact CE1-CB 4.16Å; T108-Q112 WeakPolarHBondContact O-CB 3.37Å; T108-Q112 WeakPolarHBondContact O-CG 3.36Å; T108-Q112 PolarHBondContact O-N 3.25Å; T108-Q112 VanDerWaalsContact O-N 3.09Å; F109-Q112 PolarHBondContact O-N 3.38Å; R110-Q112 VanDerWaalsContact C-N 3.32Å; R110-Q112 PolarHBondContact O-N 3.14Å; Q112-Q114 VanDerWaalsContact C-N 3.3Å; Q112-E115 PolarHBondContact O-N 3.33Å; Q112-L116 WeakPolarHBondContact O-CG 3.47Å; Q112-L116 PolarHBondContact O-N 3.03Å |
| 113 | L | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.4 | -33.1 | 172.5 | -66 | -178.9 | 0 | 0 | 0 | 112.2 | F24 L92 F109 R110 D111 L116 I118 V123 L126 | F24-L113 HydrophobicContact CZ-CD2 4.28Å; L92-L113 HydrophobicContact CD1-CD2 3.72Å; L92-L113 HydrophobicContact CD2-CD2 4.19Å; L92-L113 HydrophobicContact CG-CD2 4.36Å; F109-L113 HydrophobicContact CD1-CD1 3.87Å; F109-L113 HydrophobicContact CD1-CG 4.45Å; F109-L113 HydrophobicContact CE1-CD1 3.32Å; F109-L113 HydrophobicContact CE1-CG 4.17Å; F109-L113 HydrophobicContact CE2-CD1 4.28Å; F109-L113 HydrophobicContact CE2-CD2 4.36Å; F109-L113 HydrophobicContact CE2-CG 4.37Å; F109-L113 HydrophobicContact CZ-CD1 3.57Å; F109-L113 HydrophobicContact CZ-CD2 4.25Å; F109-L113 HydrophobicContact CZ-CG 4.13Å; F109-L113 WeakPolarHBondContact O-CG 3.38Å; F109-L113 PolarHBondContact O-N 3.46Å; R110-L113 PolarHBondContact O-N 3.36Å; D111-L113 PolarHBondContact O-N 3.33Å; L113-L116 HydrophobicContact CD2-CD1 4.48Å; L113-L116 PolarHBondContact O-N 2.9Å; L113-I118 HydrophobicContact CB-CD1 4.29Å; L113-I118 HydrophobicContact CD2-CD1 3.71Å; L113-I118 WeakPolarHBondContact O-CB 3.34Å; L113-I118 PolarHBondContact O-N 3.22Å; L113-I118 VanDerWaalsContact O-N 3.14Å; L113-V123 HydrophobicContact CB-CG1 4.48Å; L113-V123 HydrophobicContact CB-CG2 3.93Å; L113-V123 HydrophobicContact CD1-CB 4.38Å; L113-V123 HydrophobicContact CD1-CG1 3.95Å; L113-V123 HydrophobicContact CD1-CG2 4.22Å; L113-L126 HydrophobicContact CD1-CB 4.14Å; L113-L126 HydrophobicContact CD1-CD1 3.93Å; L113-L126 HydrophobicContact CD2-CD1 4.43Å |
| 114 | Q | 89.3 | Confident | 88.7 | Confident | 103 Ų | 103 | 58.7 Ų | 58.7 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.7 | -36.6 | 175.9 | -171.1 | 169.3 | -0.1 | 0 | 0 | 112 | R110 D111 Q112 L116 C117 | R110-Q114 PolarHBondContact O-N 2.88Å; D111-Q114 WeakPolarHBondContact O-CB 3.47Å; D111-Q114 PolarHBondContact O-N 3.31Å; D111-Q114 VanDerWaalsContact O-N 3.14Å; Q112-Q114 VanDerWaalsContact C-N 3.3Å; Q114-L116 PolarHBondContact O-N 3.17Å; Q114-C117 WeakPolarHBondContact O-CA 3.42Å; Q114-C117 PolarHBondContact O-N 3.27Å |
| 115 | E | 89.1 | Confident | 88.9 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -31.3 | 170.7 | -72.6 | 175.9 | 174.1 | 0 | 0 | 112.1 | D111 Q112 C117 | D111-E115 WeakPolarHBondContact O-CG 3.36Å; D111-E115 PolarHBondContact O-N 2.91Å; Q112-E115 PolarHBondContact O-N 3.33Å; E115-C117 PolarHBondContact O-N 3.18Å |
| 116 | L | 88 | Confident | 89.1 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 6.7 | 172.7 | -63.8 | 172.2 | 0 | 0 | 0 | 113.9 | L25 L29 V33 A37 Q112 L113 Q114 I118 | L25-L116 HydrophobicContact CD1-CD1 3.82Å; L29-L116 HydrophobicContact CD1-CD2 3.62Å; L29-L116 HydrophobicContact CD2-CD2 3.68Å; L29-L116 HydrophobicContact CG-CD2 4.34Å; V33-L116 HydrophobicContact CG1-CD1 4.07Å; A37-L116 WeakPolarHBondContact CB-O 3.41Å; Q112-L116 WeakPolarHBondContact O-CG 3.47Å; Q112-L116 PolarHBondContact O-N 3.03Å; L113-L116 HydrophobicContact CD2-CD1 4.48Å; L113-L116 PolarHBondContact O-N 2.9Å; Q114-L116 PolarHBondContact O-N 3.17Å; L116-I118 HydrophobicContact CB-CD1 4.1Å; L116-I118 HydrophobicContact CB-CG1 4.11Å; L116-I118 HydrophobicContact CD1-CD1 4.29Å; L116-I118 PolarHBondContact O-N 3.16Å |
| 117 | C | 86.7 | Confident | 89.2 | Confident | 105 Ų | 105 | 51.1 Ų | 51.1 | 71% | 0.709 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 27.9 | -176.1 | -55.9 | 0 | 0 | 0 | 0 | 114.2 | Q114 E115 | Q114-C117 WeakPolarHBondContact O-CA 3.42Å; Q114-C117 PolarHBondContact O-N 3.27Å; E115-C117 PolarHBondContact O-N 3.18Å |
| 118 | I | 88.4 | Confident | 89.3 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | trans | -76.1 | 129.4 | 174.9 | -62.4 | 169.9 | 0 | 0 | 0 | 108.9 | M36 L40 L92 L113 L116 Q120 L122 V123 L126 | M36-I118 HydrophobicContact CE-CD1 4.29Å; L40-I118 HydrophobicContact CD1-CD1 4.49Å; L40-I118 HydrophobicContact CD1-CG1 4.14Å; L40-I118 HydrophobicContact CD1-CG2 4.38Å; L92-I118 HydrophobicContact CD1-CD1 4.1Å; L113-I118 HydrophobicContact CB-CD1 4.29Å; L113-I118 HydrophobicContact CD2-CD1 3.71Å; L113-I118 WeakPolarHBondContact O-CB 3.34Å; L113-I118 PolarHBondContact O-N 3.22Å; L113-I118 VanDerWaalsContact O-N 3.14Å; L116-I118 HydrophobicContact CB-CD1 4.1Å; L116-I118 HydrophobicContact CB-CG1 4.11Å; L116-I118 HydrophobicContact CD1-CD1 4.29Å; L116-I118 PolarHBondContact O-N 3.16Å; I118-Q120 PolarHBondContact O-N 3.19Å; I118-L122 HydrophobicContact CG2-CB 4.21Å; I118-V123 HydrophobicContact CB-CG2 4.46Å; I118-V123 HydrophobicContact CG2-CG2 4.1Å; I118-L126 HydrophobicContact CG2-CD1 4.44Å | ||
| 119 | P | 86.1 | Confident | 89.5 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | trans | -56.3 | 133.8 | 178.7 | -24.6 | 31.7 | 0 | 0 | 0 | 112.3 | D121 L122 V123 | P119-D121 PolarHBondContact O-N 3.22Å; P119-L122 HydrophobicContact CB-CD1 4.35Å; P119-L122 HydrophobicContact CB-CG 4.24Å; P119-L122 HydrophobicContact CG-CD1 4.14Å; P119-L122 WeakPolarHBondContact O-CB 3.22Å; P119-L122 PolarHBondContact O-N 3.44Å; P119-V123 PolarHBondContact O-N 3.36Å | ||
| 120 | Q | 83.4 | Confident | 89.5 | Confident | 129 Ų | 129 | 47.4 Ų | 47.4 | 60% | 0.603 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -56.8 | -29.7 | -176.1 | -72.3 | -153.9 | -5.5 | 0 | 0 | 113.3 | I118 L122 V123 | I118-Q120 PolarHBondContact O-N 3.19Å; Q120-L122 PolarHBondContact O-N 2.81Å; Q120-V123 WeakPolarHBondContact O-CB 3.44Å; Q120-V123 PolarHBondContact O-N 3.14Å |
| 121 | D | 85 | Confident | 89.5 | Confident | 83 Ų | 83 | 44.9 Ų | 44.9 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -53.8 | -37.2 | 174.5 | -39.4 | -24.2 | 0 | 0 | 0 | 112.8 | R45 P119 | R45-D121 VanDerWaalsContact CZ-CB 3.44Å; R45-D121 VanDerWaalsContact CZ-CG 3.46Å; R45-D121 IonicContact CZ-OD2 3.09Å; R45-D121 VanDerWaalsContact CZ-OD2 3.28Å; R45-D121 IonicContact NE-OD2 3.76Å; R45-D121 PolarHBondContact NE-OD2 3.08Å; R45-D121 IonicContact NH2-OD1 3.8Å; R45-D121 PolarHBondContact NH2-OD1 3.42Å; R45-D121 IonicContact NH2-OD2 2.9Å; R45-D121 PolarHBondContact NH2-OD2 3.18Å; P119-D121 PolarHBondContact O-N 3.22Å |
| 122 | L | 89.3 | Confident | 89.4 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -91.6 | -26 | -175.7 | -51 | -176.2 | 0 | 0 | 0 | 111.5 | L40 R45 F48 I118 P119 Q120 G124 D125 L126 | L40-L122 HydrophobicContact CD2-CD1 4.36Å; R45-L122 HydrophobicContact CG-CD2 4.47Å; F48-L122 HydrophobicContact CB-CD2 4.13Å; F48-L122 HydrophobicContact CD1-CB 4.41Å; F48-L122 HydrophobicContact CD1-CD2 3.65Å; F48-L122 HydrophobicContact CD1-CG 4.44Å; F48-L122 HydrophobicContact CD2-CD1 3.75Å; F48-L122 HydrophobicContact CD2-CD2 4.13Å; F48-L122 HydrophobicContact CD2-CG 4.34Å; F48-L122 HydrophobicContact CE1-CB 3.94Å; F48-L122 HydrophobicContact CE1-CD2 4.05Å; F48-L122 HydrophobicContact CE1-CG 4.45Å; F48-L122 HydrophobicContact CE2-CB 4.02Å; F48-L122 HydrophobicContact CE2-CD1 3.85Å; F48-L122 HydrophobicContact CE2-CD2 4.46Å; F48-L122 HydrophobicContact CE2-CG 4.32Å; F48-L122 HydrophobicContact CG-CD1 4.17Å; F48-L122 HydrophobicContact CG-CD2 3.69Å; F48-L122 HydrophobicContact CG-CG 4.38Å; F48-L122 HydrophobicContact CZ-CB 3.73Å; F48-L122 HydrophobicContact CZ-CD1 4.4Å; F48-L122 HydrophobicContact CZ-CD2 4.44Å; F48-L122 HydrophobicContact CZ-CG 4.39Å; I118-L122 HydrophobicContact CG2-CB 4.21Å; P119-L122 HydrophobicContact CB-CD1 4.35Å; P119-L122 HydrophobicContact CB-CG 4.24Å; P119-L122 HydrophobicContact CG-CD1 4.14Å; P119-L122 WeakPolarHBondContact O-CB 3.22Å; P119-L122 PolarHBondContact O-N 3.44Å; Q120-L122 PolarHBondContact O-N 2.81Å; L122-G124 VanDerWaalsContact C-N 3.26Å; L122-G124 PolarHBondContact O-N 3.14Å; L122-D125 PolarHBondContact O-N 3.39Å; L122-L126 PolarHBondContact O-N 2.64Å |
| 123 | V | 91 | Very high | 89.3 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | R110 L113 I118 P119 Q120 L126 A127 | R110-V123 HydrophobicContact CB-CG1 4.14Å; R110-V123 HydrophobicContact CG-CG1 3.76Å; L113-V123 HydrophobicContact CB-CG1 4.48Å; L113-V123 HydrophobicContact CB-CG2 3.93Å; L113-V123 HydrophobicContact CD1-CB 4.38Å; L113-V123 HydrophobicContact CD1-CG1 3.95Å; L113-V123 HydrophobicContact CD1-CG2 4.22Å; I118-V123 HydrophobicContact CB-CG2 4.46Å; I118-V123 HydrophobicContact CG2-CG2 4.1Å; P119-V123 PolarHBondContact O-N 3.36Å; Q120-V123 WeakPolarHBondContact O-CB 3.44Å; Q120-V123 PolarHBondContact O-N 3.14Å; V123-L126 PolarHBondContact O-N 2.97Å; V123-A127 VanDerWaalsContact O-CB 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.23Å; V123-A127 PolarHBondContact O-N 3.35Å |
| 124 | G | 90.6 | Very high | 89 | Confident | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L122 A127 S128 | L122-G124 VanDerWaalsContact C-N 3.26Å; L122-G124 PolarHBondContact O-N 3.14Å; G124-A127 PolarHBondContact O-N 3.33Å; G124-S128 WeakPolarHBondContact O-CB 3.5Å; G124-S128 PolarHBondContact O-N 3.29Å |
| 125 | D | 91.6 | Very high | 88.9 | Confident | 50 Ų | 50 | 48 Ų | 48 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 178.1 | -73.7 | -20.5 | 0 | 0 | 0 | 111 | F48 R49 L52 L122 S128 V129 | F48-D125 HydrophobicContact CE1-CB 3.91Å; R49-D125 WeakPolarHBondContact CG-OD2 3.26Å; L52-D125 HydrophobicContact CD2-CB 3.78Å; L122-D125 PolarHBondContact O-N 3.39Å; D125-S128 WeakPolarHBondContact O-CB 3.34Å; D125-S128 PolarHBondContact O-N 2.97Å; D125-S128 PolarHBondContact O-OG 3.34Å; D125-V129 PolarHBondContact O-N 3.45Å |
| 126 | L | 92.5 | Very high | 88.9 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 175.3 | -68.7 | 170.4 | 0 | 0 | 0 | 112.3 | F48 L52 L93 F109 L113 I118 L122 V123 S128 V129 V130 | F48-L126 HydrophobicContact CZ-CD1 4.41Å; F48-L126 HydrophobicContact CZ-CD2 4.19Å; F48-L126 HydrophobicContact CZ-CG 4.04Å; L52-L126 HydrophobicContact CD1-CD2 3.91Å; L93-L126 HydrophobicContact CD2-CD2 4Å; L93-L126 HydrophobicContact CG-CD2 4.47Å; F109-L126 HydrophobicContact CE1-CB 4.36Å; F109-L126 HydrophobicContact CZ-CB 4.45Å; L113-L126 HydrophobicContact CD1-CB 4.14Å; L113-L126 HydrophobicContact CD1-CD1 3.93Å; L113-L126 HydrophobicContact CD2-CD1 4.43Å; I118-L126 HydrophobicContact CG2-CD1 4.44Å; L122-L126 PolarHBondContact O-N 2.64Å; V123-L126 PolarHBondContact O-N 2.97Å; L126-S128 VanDerWaalsContact C-N 3.25Å; L126-S128 PolarHBondContact O-N 3.21Å; L126-V129 PolarHBondContact O-N 2.88Å; L126-V129 VanDerWaalsContact O-N 3.14Å; L126-V130 PolarHBondContact O-N 3.06Å; L126-V130 VanDerWaalsContact O-N 3.14Å |
| 127 | A | 92.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 50 Ų | 50 | 5% | 0.05 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -35 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | F109 V123 G124 V129 V130 F131 | F109-A127 HydrophobicContact CD1-CB 4.37Å; F109-A127 HydrophobicContact CE1-CB 4.25Å; V123-A127 VanDerWaalsContact O-CB 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.23Å; V123-A127 PolarHBondContact O-N 3.35Å; G124-A127 PolarHBondContact O-N 3.33Å; A127-V129 VanDerWaalsContact C-N 3.27Å; A127-V129 PolarHBondContact O-N 3.41Å; A127-V130 PolarHBondContact O-N 3.36Å; A127-F131 HydrophobicContact CB-CD2 4.23Å; A127-F131 WeakPolarHBondContact O-CB 3.48Å; A127-F131 WeakPolarHBondContact O-CD2 3.48Å; A127-F131 PolarHBondContact O-N 3.23Å |
| 128 | S | 92.1 | Very high | 88.9 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.8 | -31.8 | 176.3 | 82.1 | 0 | 0 | 0 | 0 | 112.9 | G124 D125 L126 G132 | G124-S128 WeakPolarHBondContact O-CB 3.5Å; G124-S128 PolarHBondContact O-N 3.29Å; D125-S128 WeakPolarHBondContact O-CB 3.34Å; D125-S128 PolarHBondContact O-N 2.97Å; D125-S128 PolarHBondContact O-OG 3.34Å; L126-S128 VanDerWaalsContact C-N 3.25Å; L126-S128 PolarHBondContact O-N 3.21Å; S128-G132 WeakPolarHBondContact O-CA 3.1Å; S128-G132 PolarHBondContact O-N 3.43Å |
| 129 | V | 91.5 | Very high | 88.7 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.5 | -44.3 | 176 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | L52 V56 L93 D125 L126 A127 L138 | L52-V129 HydrophobicContact CD1-CG2 4.09Å; L52-V129 HydrophobicContact CD2-CG2 4.05Å; L52-V129 HydrophobicContact CG-CG2 4.2Å; V56-V129 HydrophobicContact CG2-CG1 3.8Å; V56-V129 HydrophobicContact CG2-CG2 3.94Å; L93-V129 HydrophobicContact CD1-CG1 4.35Å; L93-V129 HydrophobicContact CD2-CB 4.43Å; L93-V129 HydrophobicContact CD2-CG1 4.18Å; D125-V129 PolarHBondContact O-N 3.45Å; L126-V129 PolarHBondContact O-N 2.88Å; L126-V129 VanDerWaalsContact O-N 3.14Å; A127-V129 VanDerWaalsContact C-N 3.27Å; A127-V129 PolarHBondContact O-N 3.41Å; V129-L138 HydrophobicContact CG1-CD1 4.2Å |
| 130 | V | 91 | Very high | 88.6 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.6 | -37.5 | -175.2 | 177.4 | 0 | 0 | 0 | 0 | 112.7 | L93 A96 L104 F109 L126 A127 R135 | L93-V130 HydrophobicContact CD2-CG2 3.86Å; A96-V130 HydrophobicContact CB-CG1 4.03Å; A96-V130 HydrophobicContact CB-CG2 3.89Å; L104-V130 HydrophobicContact CD2-CG1 4.29Å; F109-V130 HydrophobicContact CE1-CG2 4.31Å; F109-V130 HydrophobicContact CE2-CG2 4.28Å; F109-V130 HydrophobicContact CZ-CB 4.47Å; F109-V130 HydrophobicContact CZ-CG2 3.79Å; L126-V130 PolarHBondContact O-N 3.06Å; L126-V130 VanDerWaalsContact O-N 3.14Å; A127-V130 PolarHBondContact O-N 3.36Å; V130-R135 WeakPolarHBondContact O-CD 3.47Å; V130-R135 PolarHBondContact O-NH1 3.06Å |
| 131 | F | 90.9 | Very high | 88.6 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 30% | 0.303 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -115.3 | -2.2 | -173.6 | -55.5 | -70.6 | 0 | 0 | 0 | 114.4 | L104 P106 F109 A127 | L104-F131 HydrophobicContact CD2-CZ 4.05Å; L104-F131 HydrophobicContact CG-CE1 4.39Å; L104-F131 HydrophobicContact CG-CZ 4.02Å; L104-F131 WeakPolarHBondContact O-CE1 3.46Å; P106-F131 HydrophobicContact CB-CD2 4.29Å; P106-F131 HydrophobicContact CB-CE2 4.14Å; P106-F131 HydrophobicContact CB-CZ 4.37Å; P106-F131 HydrophobicContact CG-CD1 4.15Å; P106-F131 HydrophobicContact CG-CD2 4.36Å; P106-F131 HydrophobicContact CG-CE1 4.17Å; P106-F131 HydrophobicContact CG-CE2 4.37Å; P106-F131 HydrophobicContact CG-CG 4.25Å; P106-F131 HydrophobicContact CG-CZ 4.28Å; F109-F131 HydrophobicContact CB-CE2 3.89Å; F109-F131 HydrophobicContact CB-CZ 3.87Å; F109-F131 AromaticContact CD1-CE2 3.64Å; F109-F131 HydrophobicContact CD1-CE2 3.64Å; F109-F131 HydrophobicContact CD1-CZ 4.37Å; F109-F131 HydrophobicContact CE1-CE2 4.32Å; F109-F131 AromaticContact CG-CE2 3.86Å; F109-F131 HydrophobicContact CG-CE2 3.86Å; F109-F131 HydrophobicContact CG-CZ 4.12Å; A127-F131 HydrophobicContact CB-CD2 4.23Å; A127-F131 WeakPolarHBondContact O-CB 3.48Å; A127-F131 WeakPolarHBondContact O-CD2 3.48Å; A127-F131 PolarHBondContact O-N 3.23Å |
| 132 | G | 89.3 | Confident | 88.3 | Confident | 28 Ų | 28 | 40.6 Ų | 40.6 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -88.8 | -168.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S128 Q134 R135 | S128-G132 WeakPolarHBondContact O-CA 3.1Å; S128-G132 PolarHBondContact O-N 3.43Å; G132-Q134 PolarHBondContact O-N 3.29Å; G132-R135 WeakPolarHBondContact O-CB 3.49Å; G132-R135 PolarHBondContact O-N 3.23Å |
| 133 | S | 87.2 | Confident | 87.6 | Confident | 116 Ų | 116 | 47 Ų | 47 | 81% | 0.811 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.1 | -174 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | R135 P136 | S133-R135 VanDerWaalsContact C-N 3.34Å; S133-P136 WeakPolarHBondContact O-CD 3.25Å |
| 134 | Q | 84.6 | Confident | 86.8 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 41% | 0.411 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -17 | 178.3 | -66.9 | -170 | -27.6 | 0 | 0 | 113.2 | G132 L137 L138 | G132-Q134 PolarHBondContact O-N 3.29Å; Q134-L137 PolarHBondContact O-N 3.09Å; Q134-L138 PolarHBondContact O-N 3.02Å; Q134-L138 VanDerWaalsContact O-N 3.16Å |
| 135 | R | 87.3 | Confident | 85.8 | Confident | 18 Ų | 18 | 58 Ų | 58 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.2 | -47.1 | -175.3 | 179.3 | 61.7 | -174.1 | -109.6 | 2.4 | 114.1 | A96 L97 L99 V130 G132 S133 L137 L138 D139 | A96-R135 PolarHBondContact O-NH1 2.9Å; L97-R135 VanDerWaalsContact C-NH2 3.33Å; L97-R135 PolarHBondContact O-NH2 3.4Å; L99-R135 PolarHBondContact O-NH2 2.95Å; V130-R135 WeakPolarHBondContact O-CD 3.47Å; V130-R135 PolarHBondContact O-NH1 3.06Å; G132-R135 WeakPolarHBondContact O-CB 3.49Å; G132-R135 PolarHBondContact O-N 3.23Å; S133-R135 VanDerWaalsContact C-N 3.34Å; R135-L137 VanDerWaalsContact C-N 3.27Å; R135-L137 PolarHBondContact O-N 3.22Å; R135-L138 PolarHBondContact O-N 3.33Å; R135-L138 VanDerWaalsContact O-N 3.17Å; R135-D139 IonicContact CZ-OD1 3.73Å; R135-D139 IonicContact NE-OD1 3.58Å; R135-D139 PolarHBondContact NE-OD1 3.34Å; R135-D139 IonicContact NE-OD2 3.31Å; R135-D139 PolarHBondContact NE-OD2 2.94Å; R135-D139 IonicContact NH2-OD1 2.81Å; R135-D139 PolarHBondContact NH2-OD1 3.43Å; R135-D139 PolarHBondContact O-N 3.23Å |
| 136 | P | 87.6 | Confident | 84.5 | Confident | 89 Ų | 89 | 57.3 Ų | 57.3 | 58% | 0.578 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.5 | -33 | -179.5 | -22.6 | 34.7 | 0 | 0 | 0 | 113.6 | S133 C140 | S133-P136 WeakPolarHBondContact O-CD 3.25Å; P136-C140 WeakPolarHBondContact O-CB 3.47Å; P136-C140 PolarHBondContact O-N 3.14Å |
| 137 | L | 87.9 | Confident | 83.1 | Confident | 92 Ų | 92 | 62.6 Ų | 62.6 | 48% | 0.482 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.9 | -43.1 | 177 | -178.4 | 142.6 | 0 | 0 | 0 | 110.8 | Q60 Q134 R135 C140 V141 | Q60-L137 HydrophobicContact CG-CD2 3.63Å; Q134-L137 PolarHBondContact O-N 3.09Å; R135-L137 VanDerWaalsContact C-N 3.27Å; R135-L137 PolarHBondContact O-N 3.22Å; L137-C140 WeakPolarHBondContact O-CB 3.35Å; L137-C140 PolarHBondContact O-N 3.47Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 2.83Å; L137-V141 VanDerWaalsContact O-N 3.09Å |
| 138 | L | 86.9 | Confident | 81.9 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 3% | 0.031 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.4 | -65.5 | 172.2 | 0 | 0 | 0 | 111.8 | V56 L59 Q60 L97 V129 Q134 R135 V141 A142 | V56-L138 HydrophobicContact CG1-CD2 4.46Å; L59-L138 HydrophobicContact CB-CD2 3.94Å; Q60-L138 HydrophobicContact CG-CD2 3.62Å; L97-L138 HydrophobicContact CD1-CD1 3.93Å; L97-L138 HydrophobicContact CD2-CD1 4.15Å; V129-L138 HydrophobicContact CG1-CD1 4.2Å; Q134-L138 PolarHBondContact O-N 3.02Å; Q134-L138 VanDerWaalsContact O-N 3.16Å; R135-L138 PolarHBondContact O-N 3.33Å; R135-L138 VanDerWaalsContact O-N 3.17Å; L138-V141 PolarHBondContact O-N 2.87Å; L138-A142 WeakPolarHBondContact O-CB 3.3Å; L138-A142 PolarHBondContact O-N 3.3Å |
| 139 | D | 84.8 | Confident | 81.2 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 20% | 0.198 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 176.2 | -68.9 | -24.3 | 0 | 0 | 0 | 111.4 | R135 A142 Q143 | R135-D139 IonicContact CZ-OD1 3.73Å; R135-D139 IonicContact NE-OD1 3.58Å; R135-D139 PolarHBondContact NE-OD1 3.34Å; R135-D139 IonicContact NE-OD2 3.31Å; R135-D139 PolarHBondContact NE-OD2 2.94Å; R135-D139 IonicContact NH2-OD1 2.81Å; R135-D139 PolarHBondContact NH2-OD1 3.43Å; R135-D139 PolarHBondContact O-N 3.23Å; D139-A142 PolarHBondContact O-N 3.22Å; D139-Q143 WeakPolarHBondContact O-CB 3.38Å; D139-Q143 VanDerWaalsContact O-CG 3.26Å; D139-Q143 WeakPolarHBondContact O-CG 3.28Å; D139-Q143 PolarHBondContact O-N 2.78Å |
| 140 | C | 83.4 | Confident | 80.7 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 39% | 0.392 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 175.9 | -177 | 0 | 0 | 0 | 0 | 111.6 | P136 L137 Q143 Q144 | P136-C140 WeakPolarHBondContact O-CB 3.47Å; P136-C140 PolarHBondContact O-N 3.14Å; L137-C140 WeakPolarHBondContact O-CB 3.35Å; L137-C140 PolarHBondContact O-N 3.47Å; C140-Q143 WeakPolarHBondContact O-CB 3.28Å; C140-Q143 PolarHBondContact O-N 2.73Å; C140-Q144 WeakPolarHBondContact O-CG 3.22Å; C140-Q144 PolarHBondContact O-N 3.41Å; C140-Q144 VanDerWaalsContact O-N 3.14Å |
| 141 | V | 84.1 | Confident | 80.4 | Confident | 21 Ų | 21 | 81.6 Ų | 81.6 | 13% | 0.127 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 177 | 175.2 | 0 | 0 | 0 | 0 | 111 | L59 L137 L138 Q143 Q144 Q145 | L59-V141 WeakPolarHBondContact O-CG1 3.5Å; L137-V141 WeakPolarHBondContact O-CG2 3.45Å; L137-V141 PolarHBondContact O-N 2.83Å; L137-V141 VanDerWaalsContact O-N 3.09Å; L138-V141 PolarHBondContact O-N 2.87Å; V141-Q143 VanDerWaalsContact C-N 3.27Å; V141-Q143 PolarHBondContact O-N 2.9Å; V141-Q144 PolarHBondContact O-N 3.3Å; V141-Q145 HydrophobicContact CG1-CG 4.02Å; V141-Q145 WeakPolarHBondContact O-CB 3.43Å; V141-Q145 WeakPolarHBondContact O-CG 3.4Å; V141-Q145 PolarHBondContact O-N 2.93Å |
| 142 | A | 79 | Confident | 80.4 | Confident | 45 Ų | 45 | 82.5 Ų | 82.5 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.4 | -31.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | L138 D139 G146 W148 | L138-A142 WeakPolarHBondContact O-CB 3.3Å; L138-A142 PolarHBondContact O-N 3.3Å; D139-A142 PolarHBondContact O-N 3.22Å; A142-G146 PolarHBondContact O-N 2.88Å; A142-W148 PolarHBondContact O-NE1 2.98Å; A142-W148 VanDerWaalsContact O-NE1 3.13Å |
| 143 | Q | 74.8 | Confident | 80.4 | Confident | 141 Ų | 141 | 84.2 Ų | 84.2 | 66% | 0.659 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.4 | -35.9 | 172 | -74.6 | 171.6 | 8.4 | 0 | 0 | 112.2 | D139 C140 V141 | D139-Q143 WeakPolarHBondContact O-CB 3.38Å; D139-Q143 VanDerWaalsContact O-CG 3.26Å; D139-Q143 WeakPolarHBondContact O-CG 3.28Å; D139-Q143 PolarHBondContact O-N 2.78Å; C140-Q143 WeakPolarHBondContact O-CB 3.28Å; C140-Q143 PolarHBondContact O-N 2.73Å; V141-Q143 VanDerWaalsContact C-N 3.27Å; V141-Q143 PolarHBondContact O-N 2.9Å |
| 144 | Q | 73.8 | Confident | 80.7 | Confident | 157 Ų | 157 | 81 Ų | 81 | 73% | 0.734 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -77.7 | -33.8 | 178.4 | -68.4 | -178.3 | 5.9 | 0 | 0 | 113.2 | C140 V141 | C140-Q144 WeakPolarHBondContact O-CG 3.22Å; C140-Q144 PolarHBondContact O-N 3.41Å; C140-Q144 VanDerWaalsContact O-N 3.14Å; V141-Q144 PolarHBondContact O-N 3.3Å |
| 145 | Q | 69.6 | Low | 81.2 | Confident | 120 Ų | 120 | 81.3 Ų | 81.3 | 56% | 0.561 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -94.4 | -22.3 | -174.1 | -66.9 | 179.5 | -2.8 | 0 | 0 | 113.9 | V141 | V141-Q145 HydrophobicContact CG1-CG 4.02Å; V141-Q145 WeakPolarHBondContact O-CB 3.43Å; V141-Q145 WeakPolarHBondContact O-CG 3.4Å; V141-Q145 PolarHBondContact O-N 2.93Å |
| 146 | G | 63.9 | Low | 81.6 | Confident | 34 Ų | 34 | 87.3 Ų | 87.3 | 35% | 0.351 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -78.6 | 140.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A142 W148 | A142-G146 PolarHBondContact O-N 2.88Å; G146-W148 VanDerWaalsContact C-CD1 3.49Å; G146-W148 VanDerWaalsContact O-CD1 3.29Å; G146-W148 PolarHBondContact O-N 3.04Å |
| 147 | A | 62.9 | Low | 81.9 | Confident | 114 Ų | 114 | 90.9 Ų | 90.9 | 94% | 0.942 | 48% | 0.479 | S | S | * | . | trans | -75.2 | 70 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 148 | W | 66.9 | Low | 82.2 | Confident | 152 Ų | 152 | 92.6 Ų | 92.6 | 58% | 0.576 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 138.5 | 175.9 | -61.5 | 86.1 | 0 | 0 | 0 | 109.7 | A142 G146 | A142-W148 PolarHBondContact O-NE1 2.98Å; A142-W148 VanDerWaalsContact O-NE1 3.13Å; G146-W148 VanDerWaalsContact C-CD1 3.49Å; G146-W148 VanDerWaalsContact O-CD1 3.29Å; G146-W148 PolarHBondContact O-N 3.04Å |
| 149 | L | 78.4 | Confident | 82.4 | Confident | 156 Ų | 156 | 96 Ų | 96 | 82% | 0.817 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 141.3 | 162.4 | -67.4 | 170.8 | 0 | 0 | 0 | 108.2 | H151 | L149-H151 PolarHBondContact O-N 3.36Š|
| 150 | P | 81.1 | Confident | 82.5 | Confident | 67 Ų | 67 | 96.7 Ų | 96.7 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 125.5 | 172.2 | -26.3 | 34.3 | 0 | 0 | 0 | 110.2 | L182 S183 D184 | P150-L182 HydrophobicContact CB-CB 4.38Å; P150-L182 HydrophobicContact CB-CD1 4.06Å; P150-S183 WeakPolarHBondContact CA-OG 3.09Å; P150-D184 HydrophobicContact CB-CB 4.42Å; P150-D184 HydrophobicContact CG-CB 4.37Å |
| 151 | H | 84.6 | Confident | 82.5 | Confident | 105 Ų | 105 | 97.8 Ų | 97.8 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | trans | -110.9 | 161.8 | 178.5 | 62.4 | -87.9 | 0 | 0 | 0 | 110.6 | L149 A153 L182 S183 | L149-H151 PolarHBondContact O-N 3.36Å; H151-A153 PolarHBondContact O-N 3.4Å; H151-L182 CarbonylContact O-C 3.6Å; H151-L182 VanDerWaalsContact O-CA 3.28Å; H151-L182 WeakPolarHBondContact O-CA 3.35Å; H151-S183 WeakPolarHBondContact CE1-CB 3.3Å; H151-S183 PolarHBondContact N-OG 3.04Å; H151-S183 VanDerWaalsContact N-OG 3.08Å; H151-S183 WeakPolarHBondContact ND1-CB 3.48Å; H151-S183 PolarHBondContact ND1-OG 2.94Å; H151-S183 PolarHBondContact O-N 3.22Å | ||
| 152 | V | 90.3 | Very high | 82.1 | Confident | 88 Ų | 88 | 99.8 Ų | 99.8 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 116.1 | 178.8 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | F155 L180 L182 | V152-F155 HydrophobicContact CG1-CB 4.24Å; V152-L180 HydrophobicContact CB-CD1 4.02Å; V152-L180 HydrophobicContact CG1-CD1 3.34Å; V152-L180 HydrophobicContact CG2-CD1 3.72Å; V152-L182 HydrophobicContact CG2-CD2 4.26Å |
| 153 | A | 90.1 | Very high | 82 | Confident | 65 Ų | 65 | 103.8 Ų | 103.8 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -36.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H151 K181 | H151-A153 PolarHBondContact O-N 3.4Å; A153-K181 PolarHBondContact N-O 3.1Å |
| 154 | D | 93.4 | Very high | 81.7 | Confident | 48 Ų | 48 | 99.4 Ų | 99.4 | 26% | 0.257 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 140.4 | 175.1 | -172.2 | 17.3 | 0 | 0 | 0 | 109.4 | R156 K181 | D154-R156 IonicContact OD1-NE 3.47Å; D154-R156 IonicContact OD2-CZ 3.82Å; D154-R156 IonicContact OD2-NE 2.66Å; D154-R156 PolarHBondContact OD2-NE 3.43Å; D154-R156 IonicContact OD2-NH2 3.28Å; D154-R156 PolarHBondContact OD2-NH2 3Å; D154-R156 VanDerWaalsContact OD2-NH2 3.09Å; D154-K181 HydrophobicContact CB-CB 4.03Å; D154-K181 HydrophobicContact CB-CD 4.11Å; D154-K181 HydrophobicContact CB-CG 4.29Å; D154-K181 PolarHBondContact N-O 2.76Å; D154-K181 PolarHBondContact O-N 2.85Å |
| 155 | F | 93.9 | Very high | 81.3 | Confident | 95 Ų | 95 | 98.2 Ų | 98.2 | 42% | 0.417 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 120.3 | 177.1 | -178.6 | -98.6 | 0 | 0 | 0 | 110.3 | V152 W157 M178 Q179 L180 | V152-F155 HydrophobicContact CG1-CB 4.24Å; F155-W157 HydrophobicContact CE1-CB 4.26Å; F155-W157 AromaticContact CE1-CD1 3.75Å; F155-W157 HydrophobicContact CE1-CG 4.33Å; F155-W157 HydrophobicContact CZ-CB 4.48Å; F155-M178 HydrophobicContact CE2-CB 4.23Å; F155-M178 HydrophobicContact CE2-CG 4.41Å; F155-M178 HydrophobicContact CE2-SD 4.1Å; F155-M178 HydrophobicContact CZ-CB 4.39Å; F155-M178 HydrophobicContact CZ-CE 4.25Å; F155-M178 HydrophobicContact CZ-CG 4.1Å; F155-M178 HydrophobicContact CZ-SD 3.78Å; F155-Q179 WeakPolarHBondContact CA-O 3.27Å; F155-L180 HydrophobicContact CD2-CD1 4.07Å |
| 156 | R | 95.5 | Very high | 81.1 | Confident | 143 Ų | 143 | 95.4 Ų | 95.4 | 54% | 0.54 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144 | 179 | -57.3 | -178.4 | -167.8 | -160.4 | -3.8 | 109.7 | D154 Q179 | D154-R156 IonicContact OD1-NE 3.47Å; D154-R156 IonicContact OD2-CZ 3.82Å; D154-R156 IonicContact OD2-NE 2.66Å; D154-R156 PolarHBondContact OD2-NE 3.43Å; D154-R156 IonicContact OD2-NH2 3.28Å; D154-R156 PolarHBondContact OD2-NH2 3Å; D154-R156 VanDerWaalsContact OD2-NH2 3.09Å; R156-Q179 HydrophobicContact CB-CB 4.44Å; R156-Q179 PolarHBondContact N-O 3.44Å; R156-Q179 PolarHBondContact O-N 2.92Å |
| 157 | W | 94.9 | Very high | 80.9 | Confident | 164 Ų | 164 | 99.1 Ų | 99.1 | 62% | 0.621 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -140.8 | 154.4 | 176.8 | 63.5 | -86.9 | 0 | 0 | 0 | 110.8 | F155 V159 V176 L177 M178 | F155-W157 HydrophobicContact CE1-CB 4.26Å; F155-W157 AromaticContact CE1-CD1 3.75Å; F155-W157 HydrophobicContact CE1-CG 4.33Å; F155-W157 HydrophobicContact CZ-CB 4.48Å; W157-V159 HydrophobicContact CE3-CG2 4.1Å; W157-V159 HydrophobicContact CZ3-CG2 3.71Å; W157-V176 HydrophobicContact CB-CG1 4.21Å; W157-V176 HydrophobicContact CE3-CG1 4.43Å; W157-L177 CarbonylContact C-O 3.52Å; W157-L177 VanDerWaalsContact CA-O 3.29Å; W157-L177 WeakPolarHBondContact CA-O 3.5Å; W157-M178 HydrophobicContact CB-CG 4.42Å |
| 158 | R | 93.4 | Very high | 80.7 | Confident | 128 Ų | 128 | 102 Ų | 102 | 48% | 0.483 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 151.9 | 167.6 | 67.9 | 177.1 | -160.6 | -167.5 | 3.2 | 109.6 | D160 V176 L177 | R158-D160 WeakPolarHBondContact CD-OD1 3.48Å; R158-D160 IonicContact CZ-OD1 3.44Å; R158-D160 IonicContact CZ-OD2 2.81Å; R158-D160 VanDerWaalsContact CZ-OD2 3.31Å; R158-D160 IonicContact NE-OD1 3.22Å; R158-D160 PolarHBondContact NE-OD1 3.26Å; R158-D160 IonicContact NE-OD2 2.91Å; R158-D160 PolarHBondContact NE-OD2 3.01Å; R158-D160 IonicContact NH2-OD1 3.32Å; R158-D160 IonicContact NH2-OD2 3.57Å; R158-D160 PolarHBondContact NH2-OD2 3.12Å; R158-V176 CarbonylContact O-C 3.58Å; R158-V176 WeakPolarHBondContact O-CA 3.26Å; R158-L177 HydrophobicContact CG-CB 3.88Å; R158-L177 HydrophobicContact CG-CD2 4.2Å; R158-L177 PolarHBondContact N-O 3.46Å; R158-L177 PolarHBondContact O-N 2.91Å |
| 159 | V | 91.7 | Very high | 80.2 | Confident | 79 Ų | 79 | 97.5 Ų | 97.5 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 120 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 107.8 | W157 V161 S175 V176 | W157-V159 HydrophobicContact CE3-CG2 4.1Å; W157-V159 HydrophobicContact CZ3-CG2 3.71Å; V159-V161 HydrophobicContact CG1-CG2 4.46Å; V159-S175 WeakPolarHBondContact CA-O 3.32Å; V159-V176 HydrophobicContact CG2-CG2 4.27Å |
| 160 | D | 86.3 | Confident | 79 | Confident | 51 Ų | 51 | 101 Ų | 101 | 27% | 0.273 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 139.6 | 174.7 | -67.5 | -16 | 0 | 0 | 0 | 107.9 | R158 P174 S175 | R158-D160 WeakPolarHBondContact CD-OD1 3.48Å; R158-D160 IonicContact CZ-OD1 3.44Å; R158-D160 IonicContact CZ-OD2 2.81Å; R158-D160 VanDerWaalsContact CZ-OD2 3.31Å; R158-D160 IonicContact NE-OD1 3.22Å; R158-D160 PolarHBondContact NE-OD1 3.26Å; R158-D160 IonicContact NE-OD2 2.91Å; R158-D160 PolarHBondContact NE-OD2 3.01Å; R158-D160 IonicContact NH2-OD1 3.32Å; R158-D160 IonicContact NH2-OD2 3.57Å; R158-D160 PolarHBondContact NH2-OD2 3.12Å; D160-P174 WeakPolarHBondContact O-CA 3.35Å; D160-S175 PolarHBondContact N-O 3.15Å; D160-S175 PolarHBondContact O-N 3.36Å; D160-S175 VanDerWaalsContact O-O 3.14Å |
| 161 | V | 83.7 | Confident | 78.2 | Confident | 81 Ų | 81 | 100.4 Ų | 100.4 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 111.3 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 108 | V159 L172 | V159-V161 HydrophobicContact CG1-CG2 4.46Å; V161-L172 HydrophobicContact CG1-CB 4.24Å; V161-L172 HydrophobicContact CG1-CD2 3.86Å |
| 162 | A | 76.8 | Confident | 77.4 | Confident | 62 Ų | 62 | 101.2 Ų | 101.2 | 51% | 0.512 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.7 | 126 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q173 | A162-Q173 PolarHBondContact N-O 3.42Å; A162-Q173 VanDerWaalsContact N-O 3.16Å; A162-Q173 PolarHBondContact O-N 3.28Å |
| 163 | I | 76.3 | Confident | 76.8 | Confident | 129 Ų | 129 | 102.7 Ų | 102.7 | 66% | 0.662 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 108.3 | 178.2 | -53.6 | 178 | 0 | 0 | 0 | 108.4 | T165 L172 | I163-T165 HydrophobicContact CG2-CG2 4.45Å; I163-L172 HydrophobicContact CB-CD2 4.44Å; I163-L172 HydrophobicContact CG1-CD2 3.88Å; I163-L172 HydrophobicContact CG2-CD2 4.39Å |
| 164 | S | 67.9 | Low | 76.5 | Confident | 50 Ų | 50 | 102.3 Ų | 102.3 | 35% | 0.35 | 55% | 0.545 | S | S | . | . | trans | -92.6 | 121.6 | 169.7 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | S166 A169 | S164-S166 PolarHBondContact OG-OG 3.37Å; S164-A169 PolarHBondContact OG-O 3.02Å | ||
| 165 | T | 66.1 | Low | 76.2 | Confident | 131 Ų | 131 | 100.5 Ų | 100.5 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | trans | -94.3 | 0.8 | 178.6 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | I163 | I163-T165 HydrophobicContact CG2-CG2 4.45Š| ||
| 166 | S | 65.3 | Low | 76.2 | Confident | 61 Ų | 61 | 96.6 Ų | 96.6 | 43% | 0.427 | 52% | 0.52 | S | S | . | . | trans | -71.6 | 138.8 | 180 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | S164 L168 A169 | S164-S166 PolarHBondContact OG-OG 3.37Å; S166-L168 PolarHBondContact O-N 2.89Å; S166-L168 VanDerWaalsContact O-N 3.09Å; S166-A169 PolarHBondContact O-N 3.09Å | ||
| 167 | A | 58.8 | Low | 76.1 | Confident | 113 Ų | 113 | 91.1 Ų | 91.1 | 93% | 0.934 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 168 | L | 59.8 | Low | 76.1 | Confident | 174 Ų | 174 | 83.5 Ų | 83.5 | 91% | 0.911 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -22.7 | -175.6 | -141.4 | 82.6 | 0 | 0 | 0 | 113.5 | S166 | S166-L168 PolarHBondContact O-N 2.89Å; S166-L168 VanDerWaalsContact O-N 3.09Å |
| 169 | A | 55.4 | Low | 76.2 | Confident | 57 Ų | 57 | 80.8 Ų | 80.8 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | trans | -158.5 | 89 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S164 S166 S171 | S164-A169 PolarHBondContact OG-O 3.02Å; S166-A169 PolarHBondContact O-N 3.09Å; A169-S171 PolarHBondContact O-N 2.83Å | ||
| 170 | R | 54.6 | Low | 76.4 | Confident | 230 Ų | 230 | 78.6 Ų | 78.6 | 87% | 0.868 | 45% | 0.451 | S | S | * | . | trans | -69.8 | 82.3 | 162.5 | -86.9 | -177.9 | 162.4 | 170.5 | -4.3 | 108.7 | ||||
| 171 | S | 63.9 | Low | 76.8 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 38% | 0.378 | 46% | 0.455 | S | S | . | . | trans | -104.6 | 117.2 | 174.4 | 178.4 | 0 | 0 | 0 | 0 | 109 | A169 | A169-S171 PolarHBondContact O-N 2.83Š| ||
| 172 | L | 68.3 | Low | 77.2 | Confident | 122 Ų | 122 | 77.8 Ų | 77.8 | 64% | 0.639 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 94 | 159.1 | -70.3 | 170.9 | 0 | 0 | 0 | 105.8 | V161 I163 P174 | V161-L172 HydrophobicContact CG1-CB 4.24Å; V161-L172 HydrophobicContact CG1-CD2 3.86Å; I163-L172 HydrophobicContact CB-CD2 4.44Å; I163-L172 HydrophobicContact CG1-CD2 3.88Å; I163-L172 HydrophobicContact CG2-CD2 4.39Å; L172-P174 WeakPolarHBondContact O-CD 3.37Å |
| 173 | Q | 76 | Confident | 77.5 | Confident | 120 Ų | 120 | 77.5 Ų | 77.5 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 107.7 | 178.1 | -169.4 | 170.6 | -30 | 0 | 0 | 108.7 | A162 | A162-Q173 PolarHBondContact N-O 3.42Å; A162-Q173 VanDerWaalsContact N-O 3.16Å; A162-Q173 PolarHBondContact O-N 3.28Å |
| 174 | P | 83.9 | Confident | 77.9 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 141.5 | 172.7 | 30.4 | -33.3 | 0 | 0 | 0 | 110 | D160 L172 T194 | D160-P174 WeakPolarHBondContact O-CA 3.35Å; L172-P174 WeakPolarHBondContact O-CD 3.37Å; P174-T194 PolarHBondContact O-OG1 3.3Å |
| 175 | S | 88.3 | Confident | 78.7 | Confident | 11 Ų | 11 | 76.6 Ų | 76.6 | 8% | 0.077 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155.3 | 168 | 66.6 | 0 | 0 | 0 | 0 | 110.4 | V159 D160 E191 | V159-S175 WeakPolarHBondContact CA-O 3.32Å; D160-S175 PolarHBondContact N-O 3.15Å; D160-S175 PolarHBondContact O-N 3.36Å; D160-S175 VanDerWaalsContact O-O 3.14Å; S175-E191 WeakPolarHBondContact CB-OE1 3.24Å; S175-E191 PolarHBondContact OG-OE1 2.7Å |
| 176 | V | 92.3 | Very high | 79.9 | Confident | 13 Ų | 13 | 71.8 Ų | 71.8 | 8% | 0.079 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.9 | 179.9 | -172 | 0 | 0 | 0 | 0 | 108.3 | W157 R158 V159 M178 V192 F197 | W157-V176 HydrophobicContact CB-CG1 4.21Å; W157-V176 HydrophobicContact CE3-CG1 4.43Å; R158-V176 CarbonylContact O-C 3.58Å; R158-V176 WeakPolarHBondContact O-CA 3.26Å; V159-V176 HydrophobicContact CG2-CG2 4.27Å; V176-M178 HydrophobicContact CB-CE 4.39Å; V176-M178 HydrophobicContact CG1-CE 3.81Å; V176-M178 HydrophobicContact CG1-CG 3.99Å; V176-V192 HydrophobicContact CB-CB 4.44Å; V176-V192 PolarHBondContact N-O 3.31Å; V176-V192 PolarHBondContact O-N 2.97Å; V176-F197 HydrophobicContact CG2-CD2 4.35Å; V176-F197 HydrophobicContact CG2-CG 4.46Å |
| 177 | L | 94.2 | Very high | 81.3 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 14% | 0.141 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 121.6 | 169.3 | -178.6 | 76.7 | 0 | 0 | 0 | 108.6 | W157 R158 R189 | W157-L177 CarbonylContact C-O 3.52Å; W157-L177 VanDerWaalsContact CA-O 3.29Å; W157-L177 WeakPolarHBondContact CA-O 3.5Å; R158-L177 HydrophobicContact CG-CB 3.88Å; R158-L177 HydrophobicContact CG-CD2 4.2Å; R158-L177 PolarHBondContact N-O 3.46Å; R158-L177 PolarHBondContact O-N 2.91Å; L177-R189 HydrophobicContact CD1-CG 3.99Å; L177-R189 VanDerWaalsContact CD2-NH2 3.26Å |
| 178 | M | 95.1 | Very high | 83 | Confident | 5 Ų | 5 | 72.2 Ų | 72.2 | 3% | 0.025 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.3 | 178.5 | -63.8 | -171.6 | 172.1 | 0 | 0 | 110.9 | F155 W157 V176 R189 F190 V192 F197 L200 | F155-M178 HydrophobicContact CE2-CB 4.23Å; F155-M178 HydrophobicContact CE2-CG 4.41Å; F155-M178 HydrophobicContact CE2-SD 4.1Å; F155-M178 HydrophobicContact CZ-CB 4.39Å; F155-M178 HydrophobicContact CZ-CE 4.25Å; F155-M178 HydrophobicContact CZ-CG 4.1Å; F155-M178 HydrophobicContact CZ-SD 3.78Å; W157-M178 HydrophobicContact CB-CG 4.42Å; V176-M178 HydrophobicContact CB-CE 4.39Å; V176-M178 HydrophobicContact CG1-CE 3.81Å; V176-M178 HydrophobicContact CG1-CG 3.99Å; M178-R189 WeakPolarHBondContact O-CA 3.34Å; M178-F190 HydrophobicContact CB-CD2 4.47Å; M178-F190 HydrophobicContact CB-CE2 4.09Å; M178-F190 HydrophobicContact CB-CZ 4.14Å; M178-F190 PolarHBondContact N-O 2.83Å; M178-F190 PolarHBondContact O-N 3.19Å; M178-F190 HydrophobicContact SD-CE2 4.13Å; M178-F190 HydrophobicContact SD-CZ 4.41Å; M178-V192 HydrophobicContact CE-CB 4.46Å; M178-V192 HydrophobicContact CE-CG2 4.23Å; M178-V192 HydrophobicContact CG-CG2 4Å; M178-V192 HydrophobicContact SD-CB 4.46Å; M178-V192 HydrophobicContact SD-CG2 3.64Å; M178-F197 HydrophobicContact CE-CD2 3.43Å; M178-F197 VanDerWaalsContact CE-CD2 3.43Å; M178-F197 HydrophobicContact CE-CE2 3.58Å; M178-L200 HydrophobicContact CE-CD2 4.43Å; M178-L200 HydrophobicContact SD-CD2 4.48Å |
| 179 | Q | 95.9 | Very high | 84.7 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.8 | 173.1 | -175.9 | 176.5 | -3 | 0 | 0 | 109.5 | F155 R156 Y188 | F155-Q179 WeakPolarHBondContact CA-O 3.27Å; R156-Q179 HydrophobicContact CB-CB 4.44Å; R156-Q179 PolarHBondContact N-O 3.44Å; R156-Q179 PolarHBondContact O-N 2.92Å; Q179-Y188 CarbonylContact C-O 3.53Å; Q179-Y188 WeakPolarHBondContact CA-O 3.45Å |
| 180 | L | 94.6 | Very high | 86.6 | Confident | 32 Ų | 32 | 73.3 Ų | 73.3 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.1 | -177.8 | 178.8 | 67.5 | 0 | 0 | 0 | 109.2 | V152 F155 L182 A187 Y188 | V152-L180 HydrophobicContact CB-CD1 4.02Å; V152-L180 HydrophobicContact CG1-CD1 3.34Å; V152-L180 HydrophobicContact CG2-CD1 3.72Å; F155-L180 HydrophobicContact CD2-CD1 4.07Å; L180-L182 HydrophobicContact CD1-CD2 4.28Å; L180-L182 HydrophobicContact CD2-CD2 3.79Å; L180-L182 HydrophobicContact CD2-CG 4.48Å; L180-L182 HydrophobicContact CG-CD2 3.93Å; L180-A187 CarbonylContact O-C 3.57Å; L180-A187 VanDerWaalsContact O-CA 3.28Å; L180-A187 WeakPolarHBondContact O-CA 3.43Å; L180-Y188 HydrophobicContact CD2-CD2 4.4Å; L180-Y188 PolarHBondContact N-O 2.85Å; L180-Y188 PolarHBondContact O-N 2.83Å |
| 181 | K | 95.3 | Very high | 88.4 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.9 | 165.4 | -60.9 | -178.5 | 179 | 173.2 | 0 | 108.9 | A153 D154 A187 | A153-K181 PolarHBondContact N-O 3.1Å; D154-K181 HydrophobicContact CB-CB 4.03Å; D154-K181 HydrophobicContact CB-CD 4.11Å; D154-K181 HydrophobicContact CB-CG 4.29Å; D154-K181 PolarHBondContact N-O 2.76Å; D154-K181 PolarHBondContact O-N 2.85Å; K181-A187 HydrophobicContact CG-CB 4.26Å |
| 182 | L | 91.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 163.2 | 175.4 | -60.5 | -171.4 | 0 | 0 | 0 | 110.7 | P150 H151 V152 L180 D184 G185 S186 Y188 | P150-L182 HydrophobicContact CB-CB 4.38Å; P150-L182 HydrophobicContact CB-CD1 4.06Å; H151-L182 CarbonylContact O-C 3.6Å; H151-L182 VanDerWaalsContact O-CA 3.28Å; H151-L182 WeakPolarHBondContact O-CA 3.35Å; V152-L182 HydrophobicContact CG2-CD2 4.26Å; L180-L182 HydrophobicContact CD1-CD2 4.28Å; L180-L182 HydrophobicContact CD2-CD2 3.79Å; L180-L182 HydrophobicContact CD2-CG 4.48Å; L180-L182 HydrophobicContact CG-CD2 3.93Å; L182-D184 VanDerWaalsContact CB-OD1 3.23Å; L182-D184 WeakPolarHBondContact CB-OD1 3.46Å; L182-D184 PolarHBondContact O-N 3.34Å; L182-G185 PolarHBondContact O-N 2.93Å; L182-G185 VanDerWaalsContact O-N 3.14Å; L182-S186 WeakPolarHBondContact CD1-OG 3.42Å; L182-S186 PolarHBondContact N-O 3.45Å; L182-Y188 HydrophobicContact CD1-CD2 4.41Å; L182-Y188 HydrophobicContact CD1-CE2 3.69Å; L182-Y188 HydrophobicContact CG-CD2 4.42Å; L182-Y188 HydrophobicContact CG-CE2 4.09Å |
| 183 | S | 84.8 | Confident | 90.8 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -21 | 178.7 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | P150 H151 G185 | P150-S183 WeakPolarHBondContact CA-OG 3.09Å; H151-S183 WeakPolarHBondContact CE1-CB 3.3Å; H151-S183 PolarHBondContact N-OG 3.04Å; H151-S183 VanDerWaalsContact N-OG 3.08Å; H151-S183 WeakPolarHBondContact ND1-CB 3.48Å; H151-S183 PolarHBondContact ND1-OG 2.94Å; H151-S183 PolarHBondContact O-N 3.22Å; S183-G185 PolarHBondContact O-N 3.46Å |
| 184 | D | 83.3 | Confident | 91.4 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3 | 174.6 | 65.7 | 0 | 0 | 0 | 0 | 112.9 | P150 L182 S186 | P150-D184 HydrophobicContact CB-CB 4.42Å; P150-D184 HydrophobicContact CG-CB 4.37Å; L182-D184 VanDerWaalsContact CB-OD1 3.23Å; L182-D184 WeakPolarHBondContact CB-OD1 3.46Å; L182-D184 PolarHBondContact O-N 3.34Å; D184-S186 VanDerWaalsContact C-N 3.27Å; D184-S186 PolarHBondContact O-N 3.24Å; D184-S186 VanDerWaalsContact OD1-CB 3.22Å; D184-S186 WeakPolarHBondContact OD1-CB 3.39Å; D184-S186 PolarHBondContact OD1-N 3.17Å; D184-S186 PolarHBondContact OD1-OG 2.94Å; D184-S186 PolarHBondContact OD2-OG 3.01Å |
| 185 | G | 85.6 | Confident | 91.8 | Very high | 67 Ų | 67 | 61.3 Ų | 61.3 | 69% | 0.691 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 84.2 | -6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | L182 S183 | L182-G185 PolarHBondContact O-N 2.93Å; L182-G185 VanDerWaalsContact O-N 3.14Å; S183-G185 PolarHBondContact O-N 3.46Å |
| 186 | S | 91.3 | Very high | 92 | Very high | 30 Ų | 30 | 66.1 Ų | 66.1 | 21% | 0.21 | 36% | 0.361 | C | S | . | . | trans | -69 | 142.7 | 175.5 | 69 | 0 | 0 | 0 | 0 | 111.1 | L182 D184 Y188 | L182-S186 WeakPolarHBondContact CD1-OG 3.42Å; L182-S186 PolarHBondContact N-O 3.45Å; D184-S186 VanDerWaalsContact C-N 3.27Å; D184-S186 PolarHBondContact O-N 3.24Å; D184-S186 VanDerWaalsContact OD1-CB 3.22Å; D184-S186 WeakPolarHBondContact OD1-CB 3.39Å; D184-S186 PolarHBondContact OD1-N 3.17Å; D184-S186 PolarHBondContact OD1-OG 2.94Å; D184-S186 PolarHBondContact OD2-OG 3.01Å; S186-Y188 WeakPolarHBondContact OG-CE2 3.27Å | ||
| 187 | A | 94.3 | Very high | 92 | Very high | 64 Ų | 64 | 68.9 Ų | 68.9 | 53% | 0.529 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L180 K181 | L180-A187 CarbonylContact O-C 3.57Å; L180-A187 VanDerWaalsContact O-CA 3.28Å; L180-A187 WeakPolarHBondContact O-CA 3.43Å; K181-A187 HydrophobicContact CG-CB 4.26Å |
| 188 | Y | 94.9 | Very high | 92 | Very high | 119 Ų | 119 | 71.9 Ų | 71.9 | 47% | 0.467 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.1 | 179.9 | -58.1 | -87.4 | 0 | 0 | 0 | 109.5 | Q179 L180 L182 S186 | Q179-Y188 CarbonylContact C-O 3.53Å; Q179-Y188 WeakPolarHBondContact CA-O 3.45Å; L180-Y188 HydrophobicContact CD2-CD2 4.4Å; L180-Y188 PolarHBondContact N-O 2.85Å; L180-Y188 PolarHBondContact O-N 2.83Å; L182-Y188 HydrophobicContact CD1-CD2 4.41Å; L182-Y188 HydrophobicContact CD1-CE2 3.69Å; L182-Y188 HydrophobicContact CG-CD2 4.42Å; L182-Y188 HydrophobicContact CG-CE2 4.09Å; S186-Y188 WeakPolarHBondContact OG-CE2 3.27Å |
| 189 | R | 95.4 | Very high | 92 | Very high | 161 Ų | 161 | 76.3 Ų | 76.3 | 61% | 0.608 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 121.8 | 172.7 | 179.8 | 177.9 | 173.7 | 171.6 | -0.1 | 108.2 | L177 M178 | L177-R189 HydrophobicContact CD1-CG 3.99Å; L177-R189 VanDerWaalsContact CD2-NH2 3.26Å; M178-R189 WeakPolarHBondContact O-CA 3.34Å |
| 190 | F | 94.2 | Very high | 91.9 | Very high | 93 Ų | 93 | 76.8 Ų | 76.8 | 41% | 0.408 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 153.2 | -176.6 | 56.7 | -88.2 | 0 | 0 | 0 | 111 | M178 V192 | M178-F190 HydrophobicContact CB-CD2 4.47Å; M178-F190 HydrophobicContact CB-CE2 4.09Å; M178-F190 HydrophobicContact CB-CZ 4.14Å; M178-F190 PolarHBondContact N-O 2.83Å; M178-F190 PolarHBondContact O-N 3.19Å; M178-F190 HydrophobicContact SD-CE2 4.13Å; M178-F190 HydrophobicContact SD-CZ 4.41Å; F190-V192 HydrophobicContact CD2-CG2 3.5Å; F190-V192 VanDerWaalsContact CD2-CG2 3.5Å; F190-V192 HydrophobicContact CE2-CG2 3.41Å; F190-V192 VanDerWaalsContact CE2-CG2 3.41Å |
| 191 | E | 92.9 | Very high | 91.9 | Very high | 127 Ų | 127 | 83 Ų | 83 | 59% | 0.593 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 134.8 | 176.9 | -172.9 | 178.4 | 173.9 | 0 | 0 | 109.8 | S175 | S175-E191 WeakPolarHBondContact CB-OE1 3.24Å; S175-E191 PolarHBondContact OG-OE1 2.7Å |
| 192 | V | 92.3 | Very high | 92 | Very high | 11 Ų | 11 | 86.7 Ų | 86.7 | 7% | 0.067 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 112.4 | -178.1 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | V176 M178 F190 K196 F197 | V176-V192 HydrophobicContact CB-CB 4.44Å; V176-V192 PolarHBondContact N-O 3.31Å; V176-V192 PolarHBondContact O-N 2.97Å; M178-V192 HydrophobicContact CE-CB 4.46Å; M178-V192 HydrophobicContact CE-CG2 4.23Å; M178-V192 HydrophobicContact CG-CG2 4Å; M178-V192 HydrophobicContact SD-CB 4.46Å; M178-V192 HydrophobicContact SD-CG2 3.64Å; F190-V192 HydrophobicContact CD2-CG2 3.5Å; F190-V192 VanDerWaalsContact CD2-CG2 3.5Å; F190-V192 HydrophobicContact CE2-CG2 3.41Å; F190-V192 VanDerWaalsContact CE2-CG2 3.41Å; V192-K196 HydrophobicContact CG1-CB 3.9Å; V192-F197 HydrophobicContact CG1-CB 3.91Å |
| 193 | P | 91.1 | Very high | 92.3 | Very high | 63 Ų | 63 | 88.1 Ų | 88.1 | 41% | 0.409 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 151.5 | 170.3 | -22.6 | 33.4 | 0 | 0 | 0 | 111.4 | A195 K196 F197 | P193-A195 PolarHBondContact O-N 3.24Å; P193-A195 VanDerWaalsContact O-N 3.11Å; P193-K196 PolarHBondContact O-N 3.29Å; P193-F197 PolarHBondContact O-N 2.81Å |
| 194 | T | 88.9 | Confident | 92.8 | Very high | 62 Ų | 62 | 89 Ų | 89 | 38% | 0.38 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -52.1 | -39.7 | -178.4 | -53.3 | 0 | 0 | 0 | 0 | 113.4 | P174 F197 Q198 | P174-T194 PolarHBondContact O-OG1 3.3Å; T194-F197 WeakPolarHBondContact O-CB 3.44Å; T194-F197 PolarHBondContact O-N 2.87Å; T194-Q198 WeakPolarHBondContact O-CG 3.33Å; T194-Q198 PolarHBondContact O-N 3.45Å |
| 195 | A | 91.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 87.3 Ų | 87.3 | 56% | 0.562 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60 | -49 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P193 F197 Q198 E199 | P193-A195 PolarHBondContact O-N 3.24Å; P193-A195 VanDerWaalsContact O-N 3.11Å; A195-F197 VanDerWaalsContact C-N 3.31Å; A195-F197 PolarHBondContact O-N 3.34Å; A195-Q198 PolarHBondContact O-N 3.01Å; A195-E199 PolarHBondContact O-N 2.95Å; A195-E199 VanDerWaalsContact O-N 3.1Å |
| 196 | K | 93.7 | Very high | 94 | Very high | 112 Ų | 112 | 87.3 Ų | 87.3 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.4 | -32.2 | 178 | -72.6 | -68.8 | 169.4 | -154.8 | 0 | 112.6 | V192 P193 Q198 E199 L200 | V192-K196 HydrophobicContact CG1-CB 3.9Å; P193-K196 PolarHBondContact O-N 3.29Å; K196-Q198 VanDerWaalsContact C-N 3.34Å; K196-E199 IonicContact NZ-OE1 2.76Å; K196-E199 PolarHBondContact NZ-OE1 3.39Å; K196-E199 IonicContact NZ-OE2 2.97Å; K196-E199 PolarHBondContact NZ-OE2 3.02Å; K196-E199 PolarHBondContact O-N 3.41Å; K196-L200 WeakPolarHBondContact O-CB 3.4Å; K196-L200 PolarHBondContact O-N 3.22Å |
| 197 | F | 92.1 | Very high | 94.2 | Very high | 70 Ų | 70 | 89.5 Ų | 89.5 | 31% | 0.307 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 172.7 | -179 | -100.4 | 0 | 0 | 0 | 111.9 | V176 M178 V192 P193 T194 A195 L200 R201 | V176-F197 HydrophobicContact CG2-CD2 4.35Å; V176-F197 HydrophobicContact CG2-CG 4.46Å; M178-F197 HydrophobicContact CE-CD2 3.43Å; M178-F197 VanDerWaalsContact CE-CD2 3.43Å; M178-F197 HydrophobicContact CE-CE2 3.58Å; V192-F197 HydrophobicContact CG1-CB 3.91Å; P193-F197 PolarHBondContact O-N 2.81Å; T194-F197 WeakPolarHBondContact O-CB 3.44Å; T194-F197 PolarHBondContact O-N 2.87Å; A195-F197 VanDerWaalsContact C-N 3.31Å; A195-F197 PolarHBondContact O-N 3.34Å; F197-L200 PolarHBondContact O-N 2.89Å; F197-R201 WeakPolarHBondContact O-CB 3.33Å; F197-R201 PolarHBondContact O-N 3.45Å |
| 198 | Q | 93.5 | Very high | 94.2 | Very high | 91 Ų | 91 | 91.3 Ų | 91.3 | 43% | 0.425 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 176.6 | -64 | -57.1 | -25.9 | 0 | 0 | 112.3 | T194 A195 K196 R201 Y202 | T194-Q198 WeakPolarHBondContact O-CG 3.33Å; T194-Q198 PolarHBondContact O-N 3.45Å; A195-Q198 PolarHBondContact O-N 3.01Å; K196-Q198 VanDerWaalsContact C-N 3.34Å; Q198-R201 PolarHBondContact O-N 3.03Å; Q198-Y202 PolarHBondContact O-N 3.09Å |
| 199 | E | 96 | Very high | 94.2 | Very high | 97 Ų | 97 | 91.9 Ų | 91.9 | 45% | 0.453 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 172.4 | -70.5 | 176.2 | -144.4 | 0 | 0 | 111.7 | A195 K196 Y202 S203 | A195-E199 PolarHBondContact O-N 2.95Å; A195-E199 VanDerWaalsContact O-N 3.1Å; K196-E199 IonicContact NZ-OE1 2.76Å; K196-E199 PolarHBondContact NZ-OE1 3.39Å; K196-E199 IonicContact NZ-OE2 2.97Å; K196-E199 PolarHBondContact NZ-OE2 3.02Å; K196-E199 PolarHBondContact O-N 3.41Å; E199-Y202 PolarHBondContact O-N 2.9Å; E199-S203 WeakPolarHBondContact O-CB 3.33Å; E199-S203 PolarHBondContact O-N 3.4Å; E199-S203 PolarHBondContact O-OG 2.77Å |
| 200 | L | 94.1 | Very high | 94.2 | Very high | 81 Ų | 81 | 89.4 Ų | 89.4 | 42% | 0.424 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 176.3 | 178.8 | 62.7 | 0 | 0 | 0 | 110.9 | M178 K196 F197 Y202 S203 V204 | M178-L200 HydrophobicContact CE-CD2 4.43Å; M178-L200 HydrophobicContact SD-CD2 4.48Å; K196-L200 WeakPolarHBondContact O-CB 3.4Å; K196-L200 PolarHBondContact O-N 3.22Å; F197-L200 PolarHBondContact O-N 2.89Å; L200-Y202 VanDerWaalsContact C-N 3.32Å; L200-Y202 PolarHBondContact O-N 3.15Å; L200-S203 PolarHBondContact O-N 2.85Å; L200-V204 HydrophobicContact CD1-CG2 4.09Å; L200-V204 HydrophobicContact CG-CG2 4.44Å; L200-V204 WeakPolarHBondContact O-CG2 3.48Å; L200-V204 PolarHBondContact O-N 3.22Å |
| 201 | R | 94.6 | Very high | 94 | Very high | 164 Ų | 164 | 90.5 Ų | 90.5 | 62% | 0.619 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -57.2 | -45.4 | 177.8 | -170.1 | -178.5 | 90.4 | 93.8 | -0.1 | 111.9 | F197 Q198 A205 | F197-R201 WeakPolarHBondContact O-CB 3.33Å; F197-R201 PolarHBondContact O-N 3.45Å; Q198-R201 PolarHBondContact O-N 3.03Å; R201-A205 WeakPolarHBondContact O-CB 3.31Å; R201-A205 PolarHBondContact O-N 2.96Å |
| 202 | Y | 97.3 | Very high | 93.8 | Very high | 162 Ų | 162 | 86.2 Ų | 86.2 | 64% | 0.635 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.8 | -46.7 | 176.9 | 174.5 | -98.1 | 0 | 0 | 0 | 111.6 | Q198 E199 L200 V204 A205 L206 | Q198-Y202 PolarHBondContact O-N 3.09Å; E199-Y202 PolarHBondContact O-N 2.9Å; L200-Y202 VanDerWaalsContact C-N 3.32Å; L200-Y202 PolarHBondContact O-N 3.15Å; Y202-V204 PolarHBondContact O-N 2.87Å; Y202-A205 PolarHBondContact O-N 3.01Å; Y202-L206 HydrophobicContact CE1-CD2 4.46Å; Y202-L206 PolarHBondContact O-N 3.31Å |
| 203 | S | 96.8 | Very high | 93.6 | Very high | 60 Ų | 60 | 88.6 Ų | 88.6 | 42% | 0.42 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | -179.1 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | E199 L200 L206 V207 | E199-S203 WeakPolarHBondContact O-CB 3.33Å; E199-S203 PolarHBondContact O-N 3.4Å; E199-S203 PolarHBondContact O-OG 2.77Å; L200-S203 PolarHBondContact O-N 2.85Å; S203-L206 PolarHBondContact O-N 2.79Å; S203-V207 WeakPolarHBondContact O-CG2 3.44Å; S203-V207 PolarHBondContact O-N 2.86Å |
| 204 | V | 95.5 | Very high | 93.3 | Very high | 75 Ų | 75 | 90 Ų | 90 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 111 | L200 Y202 L206 V207 L208 | L200-V204 HydrophobicContact CD1-CG2 4.09Å; L200-V204 HydrophobicContact CG-CG2 4.44Å; L200-V204 WeakPolarHBondContact O-CG2 3.48Å; L200-V204 PolarHBondContact O-N 3.22Å; Y202-V204 PolarHBondContact O-N 2.87Å; V204-L206 VanDerWaalsContact C-N 3.29Å; V204-L206 PolarHBondContact O-N 3.11Å; V204-V207 PolarHBondContact O-N 2.93Å; V204-L208 HydrophobicContact CG1-CD1 3.99Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 WeakPolarHBondContact O-CB 3.42Å; V204-L208 VanDerWaalsContact O-CG 3.31Å; V204-L208 WeakPolarHBondContact O-CG 3.42Å; V204-L208 PolarHBondContact O-N 2.9Å |
| 205 | A | 96.7 | Very high | 92.8 | Very high | 56 Ų | 56 | 93 Ų | 93 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R201 Y202 K209 | R201-A205 WeakPolarHBondContact O-CB 3.31Å; R201-A205 PolarHBondContact O-N 2.96Å; Y202-A205 PolarHBondContact O-N 3.01Å; A205-K209 WeakPolarHBondContact O-CB 3.49Å; A205-K209 PolarHBondContact O-N 3.43Å |
| 206 | L | 96.9 | Very high | 92.4 | Very high | 67 Ų | 67 | 94.8 Ų | 94.8 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 175.6 | -178.8 | 61.8 | 0 | 0 | 0 | 111.3 | Y202 S203 V204 L208 K209 E210 | Y202-L206 HydrophobicContact CE1-CD2 4.46Å; Y202-L206 PolarHBondContact O-N 3.31Å; S203-L206 PolarHBondContact O-N 2.79Å; V204-L206 VanDerWaalsContact C-N 3.29Å; V204-L206 PolarHBondContact O-N 3.11Å; L206-L208 VanDerWaalsContact C-N 3.33Å; L206-L208 PolarHBondContact O-N 3.33Å; L206-K209 WeakPolarHBondContact O-CB 3.48Å; L206-K209 PolarHBondContact O-N 3.22Å; L206-K209 VanDerWaalsContact O-N 3.15Å; L206-E210 HydrophobicContact CD1-CG 4.49Å; L206-E210 WeakPolarHBondContact O-CG 3.29Å; L206-E210 PolarHBondContact O-N 2.9Å |
| 207 | V | 96 | Very high | 91.6 | Very high | 76 Ų | 76 | 96 Ų | 96 | 46% | 0.461 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | S203 V204 K209 E210 M211 | S203-V207 WeakPolarHBondContact O-CG2 3.44Å; S203-V207 PolarHBondContact O-N 2.86Å; V204-V207 PolarHBondContact O-N 2.93Å; V207-K209 VanDerWaalsContact C-N 3.31Å; V207-K209 PolarHBondContact O-N 3.39Å; V207-E210 PolarHBondContact O-N 3.19Å; V207-M211 HydrophobicContact CG1-CG 4.34Å; V207-M211 HydrophobicContact CG1-SD 3.96Å; V207-M211 WeakPolarHBondContact O-CB 3.45Å; V207-M211 VanDerWaalsContact O-CG 3.27Å; V207-M211 WeakPolarHBondContact O-CG 3.47Å; V207-M211 PolarHBondContact O-N 3.1Å |
| 208 | L | 93.8 | Very high | 90.5 | Very high | 103 Ų | 103 | 95.8 Ų | 95.8 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 177.2 | -71.6 | 173.4 | 0 | 0 | 0 | 112.4 | V204 L206 A212 | V204-L208 HydrophobicContact CG1-CD1 3.99Å; V204-L208 HydrophobicContact CG1-CG 4.38Å; V204-L208 WeakPolarHBondContact O-CB 3.42Å; V204-L208 VanDerWaalsContact O-CG 3.31Å; V204-L208 WeakPolarHBondContact O-CG 3.42Å; V204-L208 PolarHBondContact O-N 2.9Å; L206-L208 VanDerWaalsContact C-N 3.33Å; L206-L208 PolarHBondContact O-N 3.33Å; L208-A212 WeakPolarHBondContact O-CB 3.47Å; L208-A212 PolarHBondContact O-N 3.38Å |
| 209 | K | 95.8 | Very high | 89.1 | Confident | 130 Ų | 130 | 96 Ų | 96 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.8 | -46.8 | 174.4 | -178.5 | -172.4 | 172.7 | -169.8 | 0 | 111.2 | A205 L206 V207 M211 A212 D213 | A205-K209 WeakPolarHBondContact O-CB 3.49Å; A205-K209 PolarHBondContact O-N 3.43Å; L206-K209 WeakPolarHBondContact O-CB 3.48Å; L206-K209 PolarHBondContact O-N 3.22Å; L206-K209 VanDerWaalsContact O-N 3.15Å; V207-K209 VanDerWaalsContact C-N 3.31Å; V207-K209 PolarHBondContact O-N 3.39Å; K209-M211 VanDerWaalsContact C-N 3.31Å; K209-M211 PolarHBondContact O-N 3.38Å; K209-A212 PolarHBondContact O-N 2.95Å; K209-D213 WeakPolarHBondContact O-CB 3.38Å; K209-D213 PolarHBondContact O-N 2.93Å |
| 210 | E | 94.5 | Very high | 87.3 | Confident | 110 Ų | 110 | 99.2 Ų | 99.2 | 51% | 0.514 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 178.8 | -72.4 | -179.4 | 170.7 | 0 | 0 | 112.2 | L206 V207 D213 L214 | L206-E210 HydrophobicContact CD1-CG 4.49Å; L206-E210 WeakPolarHBondContact O-CG 3.29Å; L206-E210 PolarHBondContact O-N 2.9Å; V207-E210 PolarHBondContact O-N 3.19Å; E210-D213 PolarHBondContact O-N 3.39Å; E210-L214 VanDerWaalsContact O-CB 3.3Å; E210-L214 WeakPolarHBondContact O-CB 3.42Å; E210-L214 PolarHBondContact O-N 3.21Å |
| 211 | M | 90.3 | Very high | 85.1 | Confident | 116 Ų | 116 | 105.5 Ų | 105.5 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 172.8 | -72.1 | 176.4 | 70.1 | 0 | 0 | 111.4 | V207 K209 L214 E215 | V207-M211 HydrophobicContact CG1-CG 4.34Å; V207-M211 HydrophobicContact CG1-SD 3.96Å; V207-M211 WeakPolarHBondContact O-CB 3.45Å; V207-M211 VanDerWaalsContact O-CG 3.27Å; V207-M211 WeakPolarHBondContact O-CG 3.47Å; V207-M211 PolarHBondContact O-N 3.1Å; K209-M211 VanDerWaalsContact C-N 3.31Å; K209-M211 PolarHBondContact O-N 3.38Å; M211-L214 WeakPolarHBondContact O-CB 3.4Å; M211-L214 PolarHBondContact O-N 3.07Å; M211-E215 PolarHBondContact O-N 2.91Å |
| 212 | A | 88.4 | Confident | 82.8 | Confident | 36 Ų | 36 | 101.3 Ų | 101.3 | 30% | 0.298 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -37.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L208 K209 L214 E215 K216 | L208-A212 WeakPolarHBondContact O-CB 3.47Å; L208-A212 PolarHBondContact O-N 3.38Å; K209-A212 PolarHBondContact O-N 2.95Å; A212-L214 VanDerWaalsContact C-N 3.35Å; A212-E215 PolarHBondContact O-N 2.57Å; A212-K216 WeakPolarHBondContact O-CG 3.46Å; A212-K216 PolarHBondContact O-N 2.97Å |
| 213 | D | 88.9 | Confident | 80.1 | Confident | 61 Ų | 61 | 101.1 Ų | 101.1 | 33% | 0.326 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.1 | -32.1 | 175.6 | -72.8 | -20.3 | 0 | 0 | 0 | 111.6 | K209 E210 R217 | K209-D213 WeakPolarHBondContact O-CB 3.38Å; K209-D213 PolarHBondContact O-N 2.93Å; E210-D213 PolarHBondContact O-N 3.39Å; D213-R217 WeakPolarHBondContact O-CB 3.43Å; D213-R217 VanDerWaalsContact O-CG 3.27Å; D213-R217 WeakPolarHBondContact O-CG 3.29Å; D213-R217 PolarHBondContact O-N 2.9Å; D213-R217 PolarHBondContact O-NE 3.04Å |
| 214 | L | 84.9 | Confident | 77.1 | Confident | 94 Ų | 94 | 108 Ų | 108 | 49% | 0.492 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 171 | -177 | 63.7 | 0 | 0 | 0 | 110.9 | E210 M211 A212 K216 R217 C218 | E210-L214 VanDerWaalsContact O-CB 3.3Å; E210-L214 WeakPolarHBondContact O-CB 3.42Å; E210-L214 PolarHBondContact O-N 3.21Å; M211-L214 WeakPolarHBondContact O-CB 3.4Å; M211-L214 PolarHBondContact O-N 3.07Å; A212-L214 VanDerWaalsContact C-N 3.35Å; L214-K216 PolarHBondContact O-N 2.98Å; L214-R217 PolarHBondContact O-N 2.81Å; L214-R217 VanDerWaalsContact O-N 3.1Å; L214-C218 PolarHBondContact O-N 2.97Å; L214-C218 PolarHBondContact O-SG 3.41Å; L214-C218 VanDerWaalsContact O-SG 3.36Å |
| 215 | E | 78.4 | Confident | 76.2 | Confident | 125 Ų | 125 | 109.6 Ų | 109.6 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -54.2 | -51 | 175.5 | -174.3 | 174.6 | -156 | 0 | 0 | 111.2 | M211 A212 R217 C218 E219 | M211-E215 PolarHBondContact O-N 2.91Å; A212-E215 PolarHBondContact O-N 2.57Å; E215-R217 VanDerWaalsContact C-N 3.32Å; E215-R217 PolarHBondContact O-N 2.94Å; E215-C218 WeakPolarHBondContact O-CB 3.44Å; E215-C218 PolarHBondContact O-N 2.84Å; E215-C218 VanDerWaalsContact O-N 3.15Å; E215-E219 WeakPolarHBondContact O-CG 3.43Å; E215-E219 PolarHBondContact O-N 2.87Å |
| 216 | K | 81.4 | Confident | 75.1 | Confident | 105 Ų | 105 | 112.4 Ų | 112.4 | 46% | 0.457 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.5 | -35.9 | 175.6 | -71.9 | 174.3 | -174 | 170.6 | 0 | 113.9 | A212 L214 E219 R220 | A212-K216 WeakPolarHBondContact O-CG 3.46Å; A212-K216 PolarHBondContact O-N 2.97Å; L214-K216 PolarHBondContact O-N 2.98Å; K216-E219 PolarHBondContact O-N 3.26Å; K216-R220 WeakPolarHBondContact O-CB 3.43Å; K216-R220 VanDerWaalsContact O-CG 3.29Å; K216-R220 WeakPolarHBondContact O-CG 2.97Å; K216-R220 PolarHBondContact O-N 3.16Å |
| 217 | R | 77.1 | Confident | 73.9 | Confident | 137 Ų | 137 | 114.9 Ų | 114.9 | 52% | 0.517 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.8 | -37.5 | 176.8 | -78.2 | -179.5 | -63.4 | -168.7 | 2.8 | 111.5 | D213 L214 E215 E219 R220 R221 | D213-R217 WeakPolarHBondContact O-CB 3.43Å; D213-R217 VanDerWaalsContact O-CG 3.27Å; D213-R217 WeakPolarHBondContact O-CG 3.29Å; D213-R217 PolarHBondContact O-N 2.9Å; D213-R217 PolarHBondContact O-NE 3.04Å; L214-R217 PolarHBondContact O-N 2.81Å; L214-R217 VanDerWaalsContact O-N 3.1Å; E215-R217 VanDerWaalsContact C-N 3.32Å; E215-R217 PolarHBondContact O-N 2.94Å; R217-E219 VanDerWaalsContact C-N 3.31Å; R217-R220 PolarHBondContact O-N 2.88Å; R217-R221 WeakPolarHBondContact O-CG 3.48Å; R217-R221 PolarHBondContact O-N 3.29Å |
| 218 | C | 69.3 | Low | 72.6 | Confident | 66 Ų | 66 | 117.2 Ų | 117.2 | 45% | 0.446 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.2 | -43 | 171.4 | -70.8 | 0 | 0 | 0 | 0 | 110.3 | L214 E215 L222 | L214-C218 PolarHBondContact O-N 2.97Å; L214-C218 PolarHBondContact O-SG 3.41Å; L214-C218 VanDerWaalsContact O-SG 3.36Å; E215-C218 WeakPolarHBondContact O-CB 3.44Å; E215-C218 PolarHBondContact O-N 2.84Å; E215-C218 VanDerWaalsContact O-N 3.15Å; C218-L222 WeakPolarHBondContact O-CD1 3.2Å; C218-L222 VanDerWaalsContact O-CG 3.24Å; C218-L222 WeakPolarHBondContact O-CG 3.42Å |
| 219 | E | 65.1 | Low | 71.2 | Confident | 95 Ų | 95 | 118.1 Ų | 118.1 | 44% | 0.444 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.9 | -43.3 | 173.2 | -68.3 | 172.7 | 168.1 | 0 | 0 | 113 | E215 K216 R217 L222 | E215-E219 WeakPolarHBondContact O-CG 3.43Å; E215-E219 PolarHBondContact O-N 2.87Å; K216-E219 PolarHBondContact O-N 3.26Å; R217-E219 VanDerWaalsContact C-N 3.31Å; E219-L222 WeakPolarHBondContact O-CB 3.47Å; E219-L222 PolarHBondContact O-N 3.09Å |
| 220 | R | 57.1 | Low | 69.6 | Low | 165 Ų | 165 | 117.3 Ų | 117.3 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.6 | -37 | -178.9 | -74.6 | 175.3 | -174 | -176.7 | 0.3 | 113.7 | K216 R217 L222 Q223 D224 | K216-R220 WeakPolarHBondContact O-CB 3.43Å; K216-R220 VanDerWaalsContact O-CG 3.29Å; K216-R220 WeakPolarHBondContact O-CG 2.97Å; K216-R220 PolarHBondContact O-N 3.16Å; R217-R220 PolarHBondContact O-N 2.88Å; R220-L222 PolarHBondContact O-N 2.89Å; R220-Q223 WeakPolarHBondContact O-CB 3.41Å; R220-Q223 PolarHBondContact O-N 3.4Å; R220-D224 PolarHBondContact O-N 3.36Å |
| 221 | R | 48.6 | Very low | 67.8 | Low | 212 Ų | 212 | 117.9 Ų | 117.9 | 80% | 0.8 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -9.8 | 173.2 | -72.8 | -169 | -171.3 | -152.2 | 4 | 113.4 | R217 | R217-R221 WeakPolarHBondContact O-CG 3.48Å; R217-R221 PolarHBondContact O-N 3.29Å |
| 222 | L | 46.7 | Very low | 66.1 | Low | 77 Ų | 77 | 118 Ų | 118 | 40% | 0.403 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | -5.2 | 171 | -61.9 | 163.4 | 0 | 0 | 0 | 112.1 | V22 C218 E219 R220 | V22-L222 HydrophobicContact CG2-CD1 4.18Å; C218-L222 WeakPolarHBondContact O-CD1 3.2Å; C218-L222 VanDerWaalsContact O-CG 3.24Å; C218-L222 WeakPolarHBondContact O-CG 3.42Å; E219-L222 WeakPolarHBondContact O-CB 3.47Å; E219-L222 PolarHBondContact O-N 3.09Å; R220-L222 PolarHBondContact O-N 2.89Å |
| 223 | Q | 39 | Very low | 64.2 | Low | 157 Ų | 157 | 124.8 Ų | 124.8 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -24.8 | -179.8 | -65.9 | 178 | 1.8 | 0 | 0 | 113.8 | R220 | R220-Q223 WeakPolarHBondContact O-CB 3.41Å; R220-Q223 PolarHBondContact O-N 3.4Å |
| 224 | D | 34.4 | Very low | 62 | Low | 204 Ų | 204 | 130.6 Ų | 130.6 | 100% | 1.091 | 60% | 0.599 | S | S | * | * | trans | -95.1 | 0 | 174.8 | -68.4 | -29 | 0 | 0 | 0 | 111.3 | R220 | R220-D224 PolarHBondContact O-N 3.36Š|
Retrieved 224 of 224 residues in 42.1 ms
(Link to these results)