| 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 | 31.2 | Very low | 28.5 | Very low | 243 Ų | 243 | 175.7 Ų | 175.7 | 100% | 1.197 | 86% | 0.864 | S | S | * | * | 0 | 124.5 | 0 | -81 | -177.3 | 165.6 | 0 | 0 | 108.5 | |||||
| 2 | S | 32.5 | Very low | 28.4 | Very low | 118 Ų | 118 | 171.5 Ų | 171.5 | 83% | 0.825 | 86% | 0.855 | S | S | * | * | trans | 58.1 | 126.3 | 173.1 | -148.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 3 | S | 34.8 | Very low | 28.2 | Very low | 111 Ų | 111 | 172 Ų | 172 | 78% | 0.776 | 85% | 0.853 | S | S | * | * | cis | -157.9 | 137.3 | 24.8 | -113.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 4 | R | 26.4 | Very low | 28.3 | Very low | 242 Ų | 242 | 168.1 Ų | 168.1 | 91% | 0.913 | 85% | 0.847 | S | S | * | * | trans | -71.4 | 131 | 166.8 | -72.7 | 165.9 | 162 | 172.9 | -6.3 | 110.1 | ||||
| 5 | K | 28.7 | Very low | 28.2 | Very low | 207 Ų | 207 | 166.1 Ų | 166.1 | 90% | 0.9 | 85% | 0.847 | S | S | * | * | trans | 171.9 | 82.3 | 136.6 | -99.5 | 176.1 | 179.1 | -179.7 | 0 | 111 | ||||
| 6 | K | 26.3 | Very low | 28.2 | Very low | 214 Ų | 214 | 167.1 Ų | 167.1 | 93% | 0.93 | 85% | 0.853 | S | S | * | * | trans | -142.9 | 94.2 | 152.8 | -82.2 | -169.9 | 179.8 | 177.9 | 0 | 108.3 | ||||
| 7 | R | 27.5 | Very low | 28.2 | Very low | 238 Ų | 238 | 163.1 Ų | 163.1 | 90% | 0.898 | 85% | 0.851 | S | S | * | * | trans | -155.3 | 137.5 | 166 | -82.3 | -166.5 | -177.4 | -165.2 | -0 | 103.5 | ||||
| 8 | L | 25.3 | Very low | 28.2 | Very low | 138 Ų | 138 | 166.1 Ų | 166.1 | 72% | 0.723 | 86% | 0.857 | S | S | * | * | cis | -167.6 | 124.3 | 3.3 | -149.1 | 85.5 | 0 | 0 | 0 | 102.7 | ||||
| 9 | I | 27.8 | Very low | 28.2 | Very low | 168 Ų | 168 | 163.5 Ų | 163.5 | 86% | 0.862 | 85% | 0.854 | S | S | * | * | trans | -133.4 | 90.8 | 155.2 | -58.7 | 179.2 | 0 | 0 | 0 | 104.5 | L11 | I9-L11 PolarHBondContact O-N 3.09Š| ||
| 10 | S | 27.1 | Very low | 28.3 | Very low | 84 Ų | 84 | 164.6 Ų | 164.6 | 59% | 0.587 | 86% | 0.855 | S | S | * | * | trans | -73.1 | 113 | 167 | 52.9 | 0 | 0 | 0 | 0 | 107.6 | V12 | S10-V12 PolarHBondContact O-N 3.3Š| ||
| 11 | L | 26.5 | Very low | 28.5 | Very low | 170 Ų | 170 | 166.3 Ų | 166.3 | 89% | 0.89 | 86% | 0.856 | S | S | * | * | trans | -64.5 | 110.7 | 161.3 | -78.3 | 150.1 | 0 | 0 | 0 | 107.6 | I9 | I9-L11 PolarHBondContact O-N 3.09Š| ||
| 12 | V | 27.4 | Very low | 28.8 | Very low | 125 Ų | 125 | 162 Ų | 162 | 76% | 0.758 | 83% | 0.833 | S | S | * | * | trans | -93.3 | 114.3 | 165 | 178.8 | 0 | 0 | 0 | 0 | 106 | S10 | S10-V12 PolarHBondContact O-N 3.3Š| ||
| 13 | E | 24.6 | Very low | 29 | Very low | 178 Ų | 178 | 161.7 Ų | 161.7 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 130.7 | 169.8 | -72.4 | -177.8 | 150.6 | 0 | 0 | 109.8 | ||
| 14 | P | 30.3 | Very low | 29.6 | Very low | 118 Ų | 118 | 160.1 Ų | 160.1 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 116.6 | 169.4 | 29.1 | -20.9 | 0 | 0 | 0 | 109.5 | ||
| 15 | T | 27.2 | Very low | 30.8 | Very low | 137 Ų | 137 | 152.7 Ų | 152.7 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 130.9 | 164 | 39 | 0 | 0 | 0 | 0 | 110.4 | A17 | T15-A17 PolarHBondContact O-N 3.5Š|
| 16 | L | 27.9 | Very low | 31.8 | Very low | 183 Ų | 183 | 147.9 Ų | 147.9 | 96% | 0.958 | 77% | 0.773 | S | S | * | * | trans | -65.4 | 114 | 175.7 | -90.6 | 97.6 | 0 | 0 | 0 | 110.8 | ||||
| 17 | A | 28 | Very low | 33.4 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -139.7 | 133.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T15 | T15-A17 PolarHBondContact O-N 3.5Š| ||
| 18 | K | 28.4 | Very low | 35 | Very low | 217 Ų | 217 | 136.9 Ų | 136.9 | 94% | 0.943 | 74% | 0.737 | S | S | * | * | trans | -58.4 | 125.8 | -173 | -67.6 | 163.4 | 171.7 | 173.8 | 0 | 113.3 | ||||
| 19 | S | 28.6 | Very low | 36.4 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | trans | -170.4 | 132.9 | 137.7 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | K21 | S19-K21 PolarHBondContact O-N 3.48Š| ||
| 20 | Q | 29.3 | Very low | 38 | Very low | 185 Ų | 185 | 132.5 Ų | 132.5 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -62 | 114.8 | 175.7 | -68 | 167.3 | -23.4 | 0 | 0 | 111.3 | ||||
| 21 | K | 33.1 | Very low | 39.5 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 88% | 0.878 | 73% | 0.732 | S | S | * | * | trans | -170 | 123.3 | 149.8 | -102.8 | 163.5 | -170.6 | -175 | 0 | 107.1 | S19 | S19-K21 PolarHBondContact O-N 3.48Š| ||
| 22 | Q | 36.1 | Very low | 41.7 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | trans | -55.5 | 139.4 | 175.7 | -78.1 | -179.8 | -7.2 | 0 | 0 | 109.4 | V24 | Q22-V24 PolarHBondContact O-N 2.87Å; Q22-V24 VanDerWaalsContact O-N 3.11Å | ||
| 23 | P | 37.6 | Very low | 43.7 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 71% | 0.709 | S | S | * | * | trans | -64.2 | 117.9 | 179.8 | 26.1 | -31.3 | 0 | 0 | 0 | 108.9 | I25 | P23-I25 PolarHBondContact O-N 3.2Š| ||
| 24 | V | 46.6 | Very low | 45.5 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 47% | 0.473 | 69% | 0.69 | S | S | . | * | trans | -70.9 | 110.2 | 171.5 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | Q22 M26 | Q22-V24 PolarHBondContact O-N 2.87Å; Q22-V24 VanDerWaalsContact O-N 3.11Å; V24-M26 HydrophobicContact CG1-SD 4.22Å; V24-M26 PolarHBondContact O-N 3.28Å | ||
| 25 | I | 51.6 | Low | 47.1 | Very low | 86 Ų | 86 | 123.4 Ų | 123.4 | 44% | 0.441 | 68% | 0.68 | S | S | . | * | trans | -73 | 111.8 | 175.7 | -55.8 | 174.8 | 0 | 0 | 0 | 107.3 | P23 Y27 | P23-I25 PolarHBondContact O-N 3.2Å; I25-Y27 HydrophobicContact CB-CE2 3.92Å; I25-Y27 HydrophobicContact CG2-CD2 4.13Å; I25-Y27 HydrophobicContact CG2-CE1 4.05Å; I25-Y27 HydrophobicContact CG2-CE2 3.49Å; I25-Y27 VanDerWaalsContact CG2-CE2 3.49Å; I25-Y27 VanDerWaalsContact CG2-CZ 3.44Å | ||
| 26 | M | 50.1 | Low | 48.8 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 53% | 0.527 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.2 | 123 | 176.5 | -68.6 | -67.9 | -79.6 | 0 | 0 | 109.1 | V24 A35 | V24-M26 HydrophobicContact CG1-SD 4.22Å; V24-M26 PolarHBondContact O-N 3.28Å; M26-A35 HydrophobicContact CE-CB 3.63Å |
| 27 | Y | 59.9 | Low | 49.9 | Very low | 121 Ų | 121 | 114.7 Ų | 114.7 | 48% | 0.475 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 142.4 | 177.2 | -65.4 | -88.5 | 0 | 0 | 0 | 110 | I25 A35 V36 L38 | I25-Y27 HydrophobicContact CB-CE2 3.92Å; I25-Y27 HydrophobicContact CG2-CD2 4.13Å; I25-Y27 HydrophobicContact CG2-CE1 4.05Å; I25-Y27 HydrophobicContact CG2-CE2 3.49Å; I25-Y27 VanDerWaalsContact CG2-CE2 3.49Å; I25-Y27 VanDerWaalsContact CG2-CZ 3.44Å; Y27-A35 CarbonylContact O-C 3.56Å; Y27-A35 WeakPolarHBondContact O-CA 3.28Å; Y27-V36 PolarHBondContact N-O 3Å; Y27-V36 PolarHBondContact O-N 3.03Å; Y27-L38 HydrophobicContact CD2-CD1 3.8Å; Y27-L38 HydrophobicContact CD2-CG 4.19Å; Y27-L38 HydrophobicContact CE2-CD1 3.8Å; Y27-L38 HydrophobicContact CE2-CG 4.5Å |
| 28 | T | 61.1 | Low | 50.9 | Low | 99 Ų | 99 | 115 Ų | 115 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 122.3 | 176.8 | -47.1 | 0 | 0 | 0 | 0 | 109.7 | I30 G33 | T28-I30 PolarHBondContact O-N 3.16Å; T28-G33 VanDerWaalsContact CG2-O 3.3Å; T28-G33 WeakPolarHBondContact CG2-O 3.5Å |
| 29 | S | 55.6 | Low | 51.6 | Low | 39 Ų | 39 | 109.1 Ų | 109.1 | 27% | 0.273 | 61% | 0.608 | S | S | . | * | trans | -62.3 | 122.6 | 174.8 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | K31 T32 G33 S34 | S29-K31 PolarHBondContact O-N 3.26Å; S29-T32 WeakPolarHBondContact CB-OG1 3.44Å; S29-T32 PolarHBondContact O-N 3.25Å; S29-T32 PolarHBondContact OG-N 2.95Å; S29-T32 PolarHBondContact OG-OG1 3.12Å; S29-G33 WeakPolarHBondContact O-CA 3.38Å; S29-G33 PolarHBondContact O-N 2.72Å; S29-S34 PolarHBondContact N-O 3.28Å | ||
| 30 | I | 61.7 | Low | 52.3 | Low | 176 Ų | 176 | 107.7 Ų | 107.7 | 90% | 0.903 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -28.5 | -179.6 | -52.2 | 173.2 | 0 | 0 | 0 | 111.4 | T28 | T28-I30 PolarHBondContact O-N 3.16Š|
| 31 | K | 58.2 | Low | 52.8 | Low | 204 Ų | 204 | 100.7 Ų | 100.7 | 89% | 0.887 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -34.2 | 179 | -83.6 | -172.2 | 174.5 | -177.9 | 0 | 114 | S29 | S29-K31 PolarHBondContact O-N 3.26Š|
| 32 | T | 72.8 | Confident | 53.2 | Low | 93 Ų | 93 | 98.6 Ų | 98.6 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | -7.2 | -167.5 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | S29 S34 | S29-T32 WeakPolarHBondContact CB-OG1 3.44Å; S29-T32 PolarHBondContact O-N 3.25Å; S29-T32 PolarHBondContact OG-N 2.95Å; S29-T32 PolarHBondContact OG-OG1 3.12Å; T32-S34 PolarHBondContact O-N 2.47Å; T32-S34 PolarHBondContact O-OG 3.03Å |
| 33 | G | 68.2 | Low | 53.5 | Low | 57 Ų | 57 | 98.3 Ų | 98.3 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | trans | 64.3 | 0.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T28 S29 | T28-G33 VanDerWaalsContact CG2-O 3.3Å; T28-G33 WeakPolarHBondContact CG2-O 3.5Å; S29-G33 WeakPolarHBondContact O-CA 3.38Å; S29-G33 PolarHBondContact O-N 2.72Å | ||
| 34 | S | 63.2 | Low | 53.9 | Low | 64 Ų | 64 | 100.9 Ų | 100.9 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | trans | -80.9 | 136.9 | -174.5 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | S29 T32 V36 | S29-S34 PolarHBondContact N-O 3.28Å; T32-S34 PolarHBondContact O-N 2.47Å; T32-S34 PolarHBondContact O-OG 3.03Å; S34-V36 PolarHBondContact O-N 3.27Å | ||
| 35 | A | 63.2 | Low | 54.2 | Low | 65 Ų | 65 | 106.8 Ų | 106.8 | 54% | 0.537 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.4 | 116.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | M26 Y27 | M26-A35 HydrophobicContact CE-CB 3.63Å; Y27-A35 CarbonylContact O-C 3.56Å; Y27-A35 WeakPolarHBondContact O-CA 3.28Å |
| 36 | V | 63.1 | Low | 54.6 | Low | 71 Ų | 71 | 111.8 Ų | 111.8 | 43% | 0.43 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.3 | 176.8 | -178.3 | 0 | 0 | 0 | 0 | 108 | Y27 S34 L38 | Y27-V36 PolarHBondContact N-O 3Å; Y27-V36 PolarHBondContact O-N 3.03Å; S34-V36 PolarHBondContact O-N 3.27Å; V36-L38 PolarHBondContact O-N 3.19Å |
| 37 | S | 50.6 | Low | 55.9 | Low | 67 Ų | 67 | 110.2 Ų | 110.2 | 47% | 0.469 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.1 | 114.5 | 162.7 | 53.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 38 | L | 49.3 | Very low | 57.1 | Low | 104 Ų | 104 | 106 Ų | 106 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | trans | -66.9 | 138.9 | 164.3 | -75.6 | 169.9 | 0 | 0 | 0 | 108.1 | Y27 V36 T40 | Y27-L38 HydrophobicContact CD2-CD1 3.8Å; Y27-L38 HydrophobicContact CD2-CG 4.19Å; Y27-L38 HydrophobicContact CE2-CD1 3.8Å; Y27-L38 HydrophobicContact CE2-CG 4.5Å; V36-L38 PolarHBondContact O-N 3.19Å; L38-T40 PolarHBondContact O-N 3.22Å | ||
| 39 | P | 43 | Very low | 58.3 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 61% | 0.61 | 57% | 0.566 | S | S | * | * | trans | -56.3 | 118.5 | 176.8 | -17.5 | 28.4 | 0 | 0 | 0 | 108.6 | G41 | P39-G41 PolarHBondContact O-N 3.25Š| ||
| 40 | T | 44.2 | Very low | 59.8 | Low | 87 Ų | 87 | 101.9 Ų | 101.9 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | trans | -76.6 | 7.3 | 174.1 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | L38 | L38-T40 PolarHBondContact O-N 3.22Š| ||
| 41 | G | 39.2 | Very low | 61 | Low | 37 Ų | 37 | 101.4 Ų | 101.4 | 38% | 0.381 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -59 | 137.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110 | P39 D43 | P39-G41 PolarHBondContact O-N 3.25Å; G41-D43 PolarHBondContact O-N 3.42Å |
| 42 | N | 41.4 | Very low | 62.6 | Low | 159 Ų | 159 | 92.2 Ų | 92.2 | 85% | 0.85 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 4.7 | 176 | -105.3 | -2 | 0 | 0 | 0 | 114.9 | F44 | N42-F44 VanDerWaalsContact C-N 3.26Å; N42-F44 PolarHBondContact O-N 3.38Å |
| 43 | D | 43.9 | Very low | 63.6 | Low | 146 Ų | 146 | 88 Ų | 88 | 78% | 0.781 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -24.2 | -173.4 | -59.6 | -29.7 | 0 | 0 | 0 | 112.5 | G41 | G41-D43 PolarHBondContact O-N 3.42Š|
| 44 | F | 45.2 | Very low | 64.8 | Low | 165 Ų | 165 | 90.2 Ų | 90.2 | 72% | 0.724 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -108.7 | 102.5 | 166.1 | -62.9 | -80.7 | 0 | 0 | 0 | 108.4 | N42 R46 | N42-F44 VanDerWaalsContact C-N 3.26Å; N42-F44 PolarHBondContact O-N 3.38Å; F44-R46 PolarHBondContact O-N 2.94Å |
| 45 | R | 52.1 | Low | 66.2 | Low | 202 Ų | 202 | 93.4 Ų | 93.4 | 76% | 0.762 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -47 | 116.9 | 166.1 | -102 | -171.6 | 179.4 | -154.2 | -1 | 107.4 | C47 | R45-C47 PolarHBondContact O-N 3.37Å; R45-C47 VanDerWaalsContact O-N 3.12Å |
| 46 | R | 61.5 | Low | 67.6 | Low | 190 Ų | 190 | 93.6 Ų | 93.6 | 72% | 0.717 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 121.5 | 176.4 | -80.5 | -179.4 | 174.8 | 171.2 | -0.5 | 107.8 | F44 R48 | F44-R46 PolarHBondContact O-N 2.94Å; R46-R48 PolarHBondContact O-N 3.15Å |
| 47 | C | 76 | Confident | 69 | Low | 74 Ų | 74 | 92.9 Ų | 92.9 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 124.9 | 172.3 | -61.7 | 0 | 0 | 0 | 0 | 108.9 | R45 V118 V120 | R45-C47 PolarHBondContact O-N 3.37Å; R45-C47 VanDerWaalsContact O-N 3.12Å; C47-V118 WeakPolarHBondContact CA-O 3.43Å; C47-V118 VanDerWaalsContact CB-O 3.29Å; C47-V118 WeakPolarHBondContact CB-O 3.19Å; C47-V120 HydrophobicContact CB-CG2 3.66Å |
| 48 | R | 86.2 | Confident | 70.9 | Confident | 34 Ų | 34 | 94.2 Ų | 94.2 | 13% | 0.128 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 147.1 | -177.9 | -71.4 | 172.5 | 69.2 | -152.8 | -4.2 | 109.9 | R46 F53 D72 E74 D117 V118 A119 V120 | R46-R48 PolarHBondContact O-N 3.15Å; R48-F53 HydrophobicContact CB-CE2 4.04Å; R48-F53 HydrophobicContact CB-CZ 4.45Å; R48-F53 VanDerWaalsContact NH1-CZ 3.3Å; R48-D72 IonicContact CZ-OD1 3.37Å; R48-D72 IonicContact CZ-OD2 3.59Å; R48-D72 IonicContact NH1-OD1 3.44Å; R48-D72 IonicContact NH1-OD2 3.55Å; R48-D72 PolarHBondContact NH1-OD2 3.23Å; R48-D72 IonicContact NH2-OD1 3.48Å; R48-D72 PolarHBondContact NH2-OD1 3.33Å; R48-D72 IonicContact NH2-OD2 2.75Å; R48-D72 PolarHBondContact NH2-OD2 3.36Å; R48-E74 IonicContact CZ-OE1 3.53Å; R48-E74 VanDerWaalsContact CZ-OE1 3.3Å; R48-E74 IonicContact CZ-OE2 3.3Å; R48-E74 IonicContact NE-OE1 2.71Å; R48-E74 PolarHBondContact NE-OE1 2.81Å; R48-E74 IonicContact NE-OE2 3.06Å; R48-E74 IonicContact NH2-OE1 3.47Å; R48-E74 PolarHBondContact NH2-OE1 3.12Å; R48-E74 IonicContact NH2-OE2 2.81Å; R48-E74 PolarHBondContact NH2-OE2 2.56Å; R48-D117 WeakPolarHBondContact CD-OD2 3.28Å; R48-V118 PolarHBondContact N-O 2.89Å; R48-A119 CarbonylContact O-C 3.53Å; R48-A119 WeakPolarHBondContact O-CA 3.18Å; R48-V120 PolarHBondContact O-N 3.08Å |
| 49 | P | 85.7 | Confident | 72.7 | Confident | 37 Ų | 37 | 90.5 Ų | 90.5 | 24% | 0.24 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 145.3 | 174.5 | 28.8 | -32.1 | 0 | 0 | 0 | 110.2 | Y51 S52 | P49-Y51 HydrophobicContact CB-CD1 3.55Å; P49-Y51 HydrophobicContact CB-CD2 4.3Å; P49-Y51 HydrophobicContact CB-CE1 3.18Å; P49-Y51 HydrophobicContact CB-CE2 3.98Å; P49-Y51 HydrophobicContact CB-CG 4.1Å; P49-Y51 VanDerWaalsContact CB-CZ 3.42Å; P49-Y51 HydrophobicContact CG-CD1 4.12Å; P49-Y51 HydrophobicContact CG-CD2 4Å; P49-Y51 HydrophobicContact CG-CE1 3.57Å; P49-Y51 HydrophobicContact CG-CE2 3.41Å; P49-Y51 VanDerWaalsContact CG-CE2 3.41Å; P49-Y51 HydrophobicContact CG-CG 4.31Å; P49-Y51 WeakPolarHBondContact CG-OH 3.42Å; P49-Y51 PolarHBondContact O-N 2.67Å; P49-S52 WeakPolarHBondContact O-CB 3.37Å; P49-S52 PolarHBondContact O-N 3.06Å |
| 50 | V | 87.1 | Confident | 74.4 | Confident | 14 Ų | 14 | 87.3 Ų | 87.3 | 9% | 0.085 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -58.9 | -23 | -179.1 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | S52 F53 V120 Y128 | V50-S52 PolarHBondContact O-N 3.38Å; V50-F53 PolarHBondContact O-N 3.08Å; V50-F53 VanDerWaalsContact O-N 3.1Å; V50-V120 PolarHBondContact N-O 3.08Å; V50-Y128 HydrophobicContact CB-CD2 4.22Å; V50-Y128 HydrophobicContact CB-CE2 4.32Å; V50-Y128 HydrophobicContact CG2-CD2 3.61Å; V50-Y128 HydrophobicContact CG2-CE2 3.66Å; V50-Y128 HydrophobicContact CG2-CG 4.16Å |
| 51 | Y | 87.5 | Confident | 76 | Confident | 166 Ų | 166 | 89.8 Ų | 89.8 | 65% | 0.651 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -71.5 | -14.6 | 177.1 | 62.4 | -108.8 | 0 | 0 | 0 | 113.8 | P49 F53 | P49-Y51 HydrophobicContact CB-CD1 3.55Å; P49-Y51 HydrophobicContact CB-CD2 4.3Å; P49-Y51 HydrophobicContact CB-CE1 3.18Å; P49-Y51 HydrophobicContact CB-CE2 3.98Å; P49-Y51 HydrophobicContact CB-CG 4.1Å; P49-Y51 VanDerWaalsContact CB-CZ 3.42Å; P49-Y51 HydrophobicContact CG-CD1 4.12Å; P49-Y51 HydrophobicContact CG-CD2 4Å; P49-Y51 HydrophobicContact CG-CE1 3.57Å; P49-Y51 HydrophobicContact CG-CE2 3.41Å; P49-Y51 VanDerWaalsContact CG-CE2 3.41Å; P49-Y51 HydrophobicContact CG-CG 4.31Å; P49-Y51 WeakPolarHBondContact CG-OH 3.42Å; P49-Y51 PolarHBondContact O-N 2.67Å; Y51-F53 PolarHBondContact O-N 3.29Å |
| 52 | S | 91.1 | Very high | 77.2 | Confident | 10 Ų | 10 | 90 Ų | 90 | 7% | 0.07 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -71.3 | -1.9 | 168.2 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | P49 V50 T73 | P49-S52 WeakPolarHBondContact O-CB 3.37Å; P49-S52 PolarHBondContact O-N 3.06Å; V50-S52 PolarHBondContact O-N 3.38Å; S52-T73 WeakPolarHBondContact CA-OG1 3.42Å; S52-T73 PolarHBondContact O-N 2.59Å; S52-T73 PolarHBondContact O-OG1 3.15Å |
| 53 | F | 93.8 | Very high | 78 | Confident | 4 Ų | 4 | 86.2 Ų | 86.2 | 2% | 0.018 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 106 | 177.3 | -55.8 | -82.9 | 0 | 0 | 0 | 109.7 | R48 V50 Y51 R55 A70 R71 D72 V79 L81 A119 V130 | R48-F53 HydrophobicContact CB-CE2 4.04Å; R48-F53 HydrophobicContact CB-CZ 4.45Å; R48-F53 VanDerWaalsContact NH1-CZ 3.3Å; V50-F53 PolarHBondContact O-N 3.08Å; V50-F53 VanDerWaalsContact O-N 3.1Å; Y51-F53 PolarHBondContact O-N 3.29Å; F53-R55 PolarHBondContact O-N 3.47Å; F53-R55 VanDerWaalsContact O-N 3.14Å; F53-A70 HydrophobicContact CB-CB 4.21Å; F53-R71 CarbonylContact C-O 3.4Å; F53-R71 WeakPolarHBondContact CA-O 3.42Å; F53-D72 HydrophobicContact CD1-CB 4.07Å; F53-D72 HydrophobicContact CE1-CB 4.06Å; F53-V79 HydrophobicContact CD1-CG2 3.89Å; F53-V79 HydrophobicContact CE1-CG2 4.4Å; F53-L81 HydrophobicContact CB-CD1 3.8Å; F53-L81 HydrophobicContact CB-CD2 4.18Å; F53-L81 HydrophobicContact CB-CG 4.45Å; F53-L81 HydrophobicContact CD1-CD2 4.46Å; F53-L81 HydrophobicContact CD2-CD2 4.44Å; F53-L81 HydrophobicContact CG-CD2 4.1Å; F53-A119 HydrophobicContact CD2-CB 3.88Å; F53-A119 HydrophobicContact CE2-CB 3.66Å; F53-V130 HydrophobicContact CD1-CG1 4.16Å; F53-V130 HydrophobicContact CD2-CG2 4.36Å; F53-V130 HydrophobicContact CE1-CB 4.48Å; F53-V130 HydrophobicContact CE1-CG1 3.59Å; F53-V130 HydrophobicContact CE1-CG2 4.11Å; F53-V130 HydrophobicContact CE2-CG2 3.81Å; F53-V130 HydrophobicContact CZ-CB 4.36Å; F53-V130 HydrophobicContact CZ-CG1 3.93Å; F53-V130 HydrophobicContact CZ-CG2 3.65Å |
| 54 | E | 94.1 | Very high | 78.9 | Confident | 104 Ų | 104 | 81.5 Ų | 81.5 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 107.9 | 176.4 | -176.1 | -167.2 | -173.4 | 0 | 0 | 109.4 | L56 A70 R71 T73 | E54-L56 HydrophobicContact CG-CD2 4.47Å; E54-L56 PolarHBondContact O-N 3.5Å; E54-A70 CarbonylContact O-C 3.53Å; E54-A70 WeakPolarHBondContact O-CA 3.31Å; E54-A70 VanDerWaalsContact O-CB 3.32Å; E54-A70 WeakPolarHBondContact O-CB 3.45Å; E54-R71 HydrophobicContact CB-CB 4.35Å; E54-R71 PolarHBondContact N-O 3.03Å; E54-R71 PolarHBondContact O-N 2.99Å; E54-T73 HydrophobicContact CB-CG2 4.23Å |
| 55 | R | 92.9 | Very high | 80.3 | Confident | 131 Ų | 131 | 73.8 Ų | 73.8 | 49% | 0.494 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 122.5 | 177.3 | -77.8 | -179.9 | -87.9 | 168.6 | -7.1 | 110.4 | F53 L81 | F53-R55 PolarHBondContact O-N 3.47Å; F53-R55 VanDerWaalsContact O-N 3.14Å; R55-L81 HydrophobicContact CG-CD1 3.9Å |
| 56 | L | 92.5 | Very high | 81.9 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -72.1 | -179.4 | -59.2 | 178.1 | 0 | 0 | 0 | 111.3 | E54 R69 I78 | E54-L56 HydrophobicContact CG-CD2 4.47Å; E54-L56 PolarHBondContact O-N 3.5Å; L56-R69 WeakPolarHBondContact CB-O 3.45Å; L56-R69 HydrophobicContact CD1-CG 4.11Å; L56-R69 PolarHBondContact N-O 2.87Å; L56-I78 HydrophobicContact CD1-CD1 3.89Å |
| 57 | N | 92.1 | Very high | 83.4 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 151.5 | -178.3 | 66.4 | -76.4 | 0 | 0 | 0 | 111.1 | I59 Y68 R69 | N57-I59 WeakPolarHBondContact ND2-CG2 3.07Å; N57-Y68 WeakPolarHBondContact O-CA 3.48Å; N57-R69 PolarHBondContact N-O 2.83Å; N57-R69 PolarHBondContact O-N 2.94Å; N57-R69 WeakPolarHBondContact OD1-CD 3.39Å |
| 58 | Q | 90.4 | Very high | 84.2 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 134.9 | 169.9 | -174.1 | 171.3 | -27.6 | 0 | 0 | 109.3 | E61 V66 Y68 | Q58-E61 PolarHBondContact NE2-OE2 3.43Å; Q58-V66 HydrophobicContact CG-CG1 3.65Å; Q58-Y68 HydrophobicContact CB-CD1 3.99Å; Q58-Y68 HydrophobicContact CB-CE1 4.02Å; Q58-Y68 HydrophobicContact CG-CD1 4.44Å; Q58-Y68 HydrophobicContact CG-CE1 4.27Å |
| 59 | I | 86.7 | Confident | 84.6 | Confident | 27 Ų | 27 | 57.6 Ų | 57.6 | 14% | 0.138 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | -14.6 | -177.7 | 56.4 | 173.1 | 0 | 0 | 0 | 113.5 | N57 V67 R69 A80 Y133 R356 | N57-I59 WeakPolarHBondContact ND2-CG2 3.07Å; I59-V67 HydrophobicContact CD1-CG1 3.75Å; I59-V67 HydrophobicContact CG1-CB 3.98Å; I59-V67 HydrophobicContact CG1-CG1 3.72Å; I59-V67 WeakPolarHBondContact CG1-O 3.33Å; I59-V67 PolarHBondContact N-O 3.02Å; I59-R69 HydrophobicContact CD1-CB 4.44Å; I59-R69 HydrophobicContact CG2-CB 3.73Å; I59-A80 HydrophobicContact CD1-CB 4.22Å; I59-Y133 HydrophobicContact CD1-CD2 4.25Å; I59-Y133 HydrophobicContact CD1-CE2 3.93Å; I59-R356 VanDerWaalsContact O-CZ 3.31Å; I59-R356 PolarHBondContact O-NH1 3.22Å; I59-R356 PolarHBondContact O-NH2 3.19Å |
| 60 | G | 79.4 | Confident | 85.1 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 152.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V67 | G60-V67 PolarHBondContact N-O 2.97Å; G60-V67 PolarHBondContact O-N 3.03Å |
| 61 | E | 76.7 | Confident | 85.5 | Confident | 138 Ų | 138 | 60.1 Ų | 60.1 | 65% | 0.645 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 119.4 | 167.8 | -177.4 | 168.1 | -178.4 | 0 | 0 | 107.2 | Q58 V66 | Q58-E61 PolarHBondContact NE2-OE2 3.43Å; E61-V66 HydrophobicContact CG-CG2 4.25Å |
| 62 | G | 65.3 | Low | 85.9 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | -175.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y64 G65 | G62-Y64 PolarHBondContact O-N 3.14Å; G62-Y64 VanDerWaalsContact O-N 3.12Å; G62-G65 PolarHBondContact N-O 3.41Å; G62-G65 PolarHBondContact O-N 3.36Å |
| 63 | T | 57.9 | Low | 86.1 | Confident | 80 Ų | 80 | 56 Ų | 56 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34.4 | -179.7 | -50.5 | 0 | 0 | 0 | 0 | 112.7 | R85 | T63-R85 PolarHBondContact O-NH1 2.96Š|
| 64 | Y | 63.8 | Low | 86 | Confident | 47 Ų | 47 | 62 Ų | 62 | 18% | 0.184 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -3.6 | -174.3 | -49.9 | -71.1 | 0 | 0 | 0 | 114.7 | G62 D177 D195 L198 | G62-Y64 PolarHBondContact O-N 3.14Å; G62-Y64 VanDerWaalsContact O-N 3.12Å; Y64-D177 PolarHBondContact OH-OD2 3.25Å; Y64-D195 VanDerWaalsContact CD2-OD1 3.28Å; Y64-D195 WeakPolarHBondContact CD2-OD1 3.42Å; Y64-D195 WeakPolarHBondContact CD2-OD2 3.33Å; Y64-D195 WeakPolarHBondContact CE2-OD2 3.24Å; Y64-L198 HydrophobicContact CE1-CD2 4.37Å; Y64-L198 HydrophobicContact CE1-CG 4.33Å; Y64-L198 WeakPolarHBondContact OH-CD1 3.26Å; Y64-L198 WeakPolarHBondContact OH-CG 3.44Å |
| 65 | G | 74.1 | Confident | 86 | Confident | 4 Ų | 4 | 61 Ų | 61 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.1 | -171.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G62 | G62-G65 PolarHBondContact N-O 3.41Å; G62-G65 PolarHBondContact O-N 3.36Å |
| 66 | V | 85.7 | Confident | 86.1 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 134.3 | 179.4 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | Q58 E61 Y68 K83 | Q58-V66 HydrophobicContact CG-CG1 3.65Å; E61-V66 HydrophobicContact CG-CG2 4.25Å; V66-Y68 HydrophobicContact CB-CE2 3.97Å; V66-Y68 HydrophobicContact CG1-CD2 4.29Å; V66-Y68 HydrophobicContact CG1-CE1 3.93Å; V66-Y68 HydrophobicContact CG1-CE2 3.6Å; V66-Y68 WeakPolarHBondContact CG1-OH 3.3Å; V66-K83 WeakPolarHBondContact O-CB 3.27Å; V66-K83 PolarHBondContact O-N 3.04Å |
| 67 | V | 91.7 | Very high | 86.2 | Confident | 35 Ų | 35 | 59 Ų | 59 | 21% | 0.212 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.1 | 178 | -167.4 | 0 | 0 | 0 | 0 | 109.4 | I59 G60 A80 L81 K82 | I59-V67 HydrophobicContact CD1-CG1 3.75Å; I59-V67 HydrophobicContact CG1-CB 3.98Å; I59-V67 HydrophobicContact CG1-CG1 3.72Å; I59-V67 WeakPolarHBondContact CG1-O 3.33Å; I59-V67 PolarHBondContact N-O 3.02Å; G60-V67 PolarHBondContact N-O 2.97Å; G60-V67 PolarHBondContact O-N 3.03Å; V67-A80 HydrophobicContact CG1-CB 4.23Å; V67-L81 CarbonylContact C-O 3.52Å; V67-L81 WeakPolarHBondContact CA-O 3.37Å; V67-K82 HydrophobicContact CG2-CB 4.31Å; V67-K82 HydrophobicContact CG2-CG 4.21Å |
| 68 | Y | 93.2 | Very high | 86.4 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.3 | 177 | -57.1 | -86.6 | 0 | 0 | 0 | 110.4 | N57 Q58 V66 A80 L81 Y128 | N57-Y68 WeakPolarHBondContact O-CA 3.48Å; Q58-Y68 HydrophobicContact CB-CD1 3.99Å; Q58-Y68 HydrophobicContact CB-CE1 4.02Å; Q58-Y68 HydrophobicContact CG-CD1 4.44Å; Q58-Y68 HydrophobicContact CG-CE1 4.27Å; V66-Y68 HydrophobicContact CB-CE2 3.97Å; V66-Y68 HydrophobicContact CG1-CD2 4.29Å; V66-Y68 HydrophobicContact CG1-CE1 3.93Å; V66-Y68 HydrophobicContact CG1-CE2 3.6Å; V66-Y68 WeakPolarHBondContact CG1-OH 3.3Å; Y68-A80 CarbonylContact O-C 3.45Å; Y68-A80 WeakPolarHBondContact O-CA 3.5Å; Y68-L81 PolarHBondContact N-O 3.25Å; Y68-L81 PolarHBondContact O-N 3.2Å; Y68-Y128 HydrophobicContact CD2-CE1 4.47Å; Y68-Y128 HydrophobicContact CE2-CE1 4.44Å |
| 69 | R | 94.7 | Very high | 86.6 | Confident | 54 Ų | 54 | 54 Ų | 54 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 133.1 | 158.5 | -174.6 | -174.3 | 175.2 | 176.9 | 1.1 | 107.8 | L56 N57 I59 I78 Y133 | L56-R69 WeakPolarHBondContact CB-O 3.45Å; L56-R69 HydrophobicContact CD1-CG 4.11Å; L56-R69 PolarHBondContact N-O 2.87Å; N57-R69 PolarHBondContact N-O 2.83Å; N57-R69 PolarHBondContact O-N 2.94Å; N57-R69 WeakPolarHBondContact OD1-CD 3.39Å; I59-R69 HydrophobicContact CD1-CB 4.44Å; I59-R69 HydrophobicContact CG2-CB 3.73Å; R69-I78 HydrophobicContact CG-CG2 3.72Å; R69-Y133 HydrophobicContact CB-CE2 4.08Å; R69-Y133 HydrophobicContact CG-CD2 4.07Å; R69-Y133 HydrophobicContact CG-CE2 3.73Å |
| 70 | A | 96 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 163.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | F53 E54 I78 V79 L81 | F53-A70 HydrophobicContact CB-CB 4.21Å; E54-A70 CarbonylContact O-C 3.53Å; E54-A70 WeakPolarHBondContact O-CA 3.31Å; E54-A70 VanDerWaalsContact O-CB 3.32Å; E54-A70 WeakPolarHBondContact O-CB 3.45Å; A70-I78 WeakPolarHBondContact O-CA 3.09Å; A70-V79 HydrophobicContact CB-CG2 4.05Å; A70-V79 PolarHBondContact N-O 3.44Å; A70-V79 PolarHBondContact O-N 2.82Å; A70-L81 HydrophobicContact CB-CD1 3.47Å; A70-L81 VanDerWaalsContact CB-CD1 3.47Å; A70-L81 HydrophobicContact CB-CG 3.68Å |
| 71 | R | 96.8 | Very high | 87.8 | Confident | 104 Ų | 104 | 51.8 Ų | 51.8 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.7 | 169 | -176.9 | -172.8 | -61.9 | -84.1 | 6.1 | 108.6 | F53 E54 T73 G76 E77 I78 | F53-R71 CarbonylContact C-O 3.4Å; F53-R71 WeakPolarHBondContact CA-O 3.42Å; E54-R71 HydrophobicContact CB-CB 4.35Å; E54-R71 PolarHBondContact N-O 3.03Å; E54-R71 PolarHBondContact O-N 2.99Å; R71-T73 PolarHBondContact O-N 3.45Å; R71-G76 PolarHBondContact NH1-O 2.87Å; R71-E77 CarbonylContact C-O 3.58Å; R71-E77 WeakPolarHBondContact CA-O 3.15Å; R71-I78 HydrophobicContact CB-CD1 4.16Å; R71-I78 HydrophobicContact CG-CD1 4.39Å |
| 72 | D | 96 | Very high | 88.5 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.032 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 120.8 | 168.6 | -174.5 | -29.7 | 0 | 0 | 0 | 108.9 | R48 F53 E74 T75 G76 E77 | R48-D72 IonicContact CZ-OD1 3.37Å; R48-D72 IonicContact CZ-OD2 3.59Å; R48-D72 IonicContact NH1-OD1 3.44Å; R48-D72 IonicContact NH1-OD2 3.55Å; R48-D72 PolarHBondContact NH1-OD2 3.23Å; R48-D72 IonicContact NH2-OD1 3.48Å; R48-D72 PolarHBondContact NH2-OD1 3.33Å; R48-D72 IonicContact NH2-OD2 2.75Å; R48-D72 PolarHBondContact NH2-OD2 3.36Å; F53-D72 HydrophobicContact CD1-CB 4.07Å; F53-D72 HydrophobicContact CE1-CB 4.06Å; D72-E74 VanDerWaalsContact C-N 3.26Å; D72-E74 PolarHBondContact O-N 2.95Å; D72-E74 WeakPolarHBondContact OD1-CB 3.46Å; D72-E74 PolarHBondContact OD1-N 3.29Å; D72-T75 VanDerWaalsContact CB-OG1 3.32Å; D72-T75 WeakPolarHBondContact CB-OG1 3.18Å; D72-T75 VanDerWaalsContact CG-OG1 3.32Å; D72-T75 PolarHBondContact OD1-N 2.7Å; D72-G76 WeakPolarHBondContact O-CA 3.4Å; D72-G76 PolarHBondContact O-N 3.06Å; D72-E77 PolarHBondContact N-O 3.43Å |
| 73 | T | 94.1 | Very high | 89.6 | Confident | 83 Ų | 83 | 47.5 Ų | 47.5 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -18.3 | -175.7 | 60 | 0 | 0 | 0 | 0 | 113.2 | S52 E54 R71 | S52-T73 WeakPolarHBondContact CA-OG1 3.42Å; S52-T73 PolarHBondContact O-N 2.59Å; S52-T73 PolarHBondContact O-OG1 3.15Å; E54-T73 HydrophobicContact CB-CG2 4.23Å; R71-T73 PolarHBondContact O-N 3.45Å |
| 74 | E | 92.6 | Very high | 90.9 | Very high | 132 Ų | 132 | 43.9 Ų | 43.9 | 62% | 0.617 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -43.9 | 178.3 | -70.4 | 167 | -136.4 | 0 | 0 | 111.3 | R48 D72 | R48-E74 IonicContact CZ-OE1 3.53Å; R48-E74 VanDerWaalsContact CZ-OE1 3.3Å; R48-E74 IonicContact CZ-OE2 3.3Å; R48-E74 IonicContact NE-OE1 2.71Å; R48-E74 PolarHBondContact NE-OE1 2.81Å; R48-E74 IonicContact NE-OE2 3.06Å; R48-E74 IonicContact NH2-OE1 3.47Å; R48-E74 PolarHBondContact NH2-OE1 3.12Å; R48-E74 IonicContact NH2-OE2 2.81Å; R48-E74 PolarHBondContact NH2-OE2 2.56Å; D72-E74 VanDerWaalsContact C-N 3.26Å; D72-E74 PolarHBondContact O-N 2.95Å; D72-E74 WeakPolarHBondContact OD1-CB 3.46Å; D72-E74 PolarHBondContact OD1-N 3.29Å |
| 75 | T | 93.8 | Very high | 91.2 | Very high | 81 Ų | 81 | 47.8 Ų | 47.8 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -19.4 | -176.1 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | D72 E77 | D72-T75 VanDerWaalsContact CB-OG1 3.32Å; D72-T75 WeakPolarHBondContact CB-OG1 3.18Å; D72-T75 VanDerWaalsContact CG-OG1 3.32Å; D72-T75 PolarHBondContact OD1-N 2.7Å; T75-E77 PolarHBondContact O-N 3.23Å; T75-E77 WeakPolarHBondContact OG1-CB 3.34Å; T75-E77 PolarHBondContact OG1-N 3.04Å |
| 76 | G | 93.8 | Very high | 90.6 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | trans | 75.9 | -3.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R71 D72 | R71-G76 PolarHBondContact NH1-O 2.87Å; D72-G76 WeakPolarHBondContact O-CA 3.4Å; D72-G76 PolarHBondContact O-N 3.06Å | ||
| 77 | E | 95.1 | Very high | 89.3 | Confident | 123 Ų | 123 | 52 Ų | 52 | 58% | 0.575 | 26% | 0.262 | S | S | * | . | trans | -71 | 151.1 | -177.9 | -66.4 | -172.5 | 157.8 | 0 | 0 | 112.3 | R71 D72 T75 | R71-E77 CarbonylContact C-O 3.58Å; R71-E77 WeakPolarHBondContact CA-O 3.15Å; D72-E77 PolarHBondContact N-O 3.43Å; T75-E77 PolarHBondContact O-N 3.23Å; T75-E77 WeakPolarHBondContact OG1-CB 3.34Å; T75-E77 PolarHBondContact OG1-N 3.04Å | ||
| 78 | I | 95.7 | Very high | 87.2 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.6 | 174.6 | -59.4 | -60.7 | 0 | 0 | 0 | 109.2 | L56 R69 A70 R71 Y133 | L56-I78 HydrophobicContact CD1-CD1 3.89Å; R69-I78 HydrophobicContact CG-CG2 3.72Å; A70-I78 WeakPolarHBondContact O-CA 3.09Å; R71-I78 HydrophobicContact CB-CD1 4.16Å; R71-I78 HydrophobicContact CG-CD1 4.39Å; I78-Y133 HydrophobicContact CG2-CD1 3.83Å; I78-Y133 HydrophobicContact CG2-CD2 4.06Å; I78-Y133 HydrophobicContact CG2-CE1 4.36Å; I78-Y133 HydrophobicContact CG2-CG 3.66Å; I78-Y133 WeakPolarHBondContact O-CB 3.27Å |
| 79 | V | 96.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 163.9 | -179.1 | -60.2 | 0 | 0 | 0 | 0 | 111 | F53 A70 I116 V130 | F53-V79 HydrophobicContact CD1-CG2 3.89Å; F53-V79 HydrophobicContact CE1-CG2 4.4Å; A70-V79 HydrophobicContact CB-CG2 4.05Å; A70-V79 PolarHBondContact N-O 3.44Å; A70-V79 PolarHBondContact O-N 2.82Å; V79-I116 HydrophobicContact CG1-CD1 3.85Å; V79-V130 HydrophobicContact CB-CG1 3.92Å; V79-V130 HydrophobicContact CG1-CG1 4.12Å; V79-V130 HydrophobicContact CG2-CG1 3.89Å |
| 80 | A | 95.6 | Very high | 83 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 7% | 0.074 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I59 V67 Y68 L131 Y133 | I59-A80 HydrophobicContact CD1-CB 4.22Å; V67-A80 HydrophobicContact CG1-CB 4.23Å; Y68-A80 CarbonylContact O-C 3.45Å; Y68-A80 WeakPolarHBondContact O-CA 3.5Å; A80-L131 HydrophobicContact CB-CB 4.26Å; A80-L131 PolarHBondContact N-O 3.46Å; A80-L131 PolarHBondContact O-N 3.26Å; A80-Y133 HydrophobicContact CB-CD2 4.44Å |
| 81 | L | 94 | Very high | 81.1 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 106.1 | 174.5 | -63.9 | 179 | 0 | 0 | 0 | 109.9 | F53 R55 V67 Y68 A70 Y128 L129 V130 | F53-L81 HydrophobicContact CB-CD1 3.8Å; F53-L81 HydrophobicContact CB-CD2 4.18Å; F53-L81 HydrophobicContact CB-CG 4.45Å; F53-L81 HydrophobicContact CD1-CD2 4.46Å; F53-L81 HydrophobicContact CD2-CD2 4.44Å; F53-L81 HydrophobicContact CG-CD2 4.1Å; R55-L81 HydrophobicContact CG-CD1 3.9Å; V67-L81 CarbonylContact C-O 3.52Å; V67-L81 WeakPolarHBondContact CA-O 3.37Å; Y68-L81 PolarHBondContact N-O 3.25Å; Y68-L81 PolarHBondContact O-N 3.2Å; A70-L81 HydrophobicContact CB-CD1 3.47Å; A70-L81 VanDerWaalsContact CB-CD1 3.47Å; A70-L81 HydrophobicContact CB-CG 3.68Å; L81-Y128 HydrophobicContact CB-CD1 4.11Å; L81-L129 WeakPolarHBondContact CA-O 3.29Å; L81-V130 HydrophobicContact CD2-CB 4.26Å; L81-V130 HydrophobicContact CD2-CG1 4.22Å; L81-V130 HydrophobicContact CD2-CG2 3.73Å |
| 82 | K | 91.4 | Very high | 79.7 | Confident | 14 Ų | 14 | 73 Ų | 73 | 6% | 0.061 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 108.5 | 172.2 | -179.1 | 175.6 | 175.2 | -175.3 | 0 | 109 | V67 M84 E100 Y128 L129 L131 D195 | V67-K82 HydrophobicContact CG2-CB 4.31Å; V67-K82 HydrophobicContact CG2-CG 4.21Å; K82-M84 HydrophobicContact CD-SD 4.33Å; K82-M84 HydrophobicContact CG-SD 4.14Å; K82-M84 PolarHBondContact O-N 3.05Å; K82-E100 IonicContact NZ-OE1 3.34Å; K82-E100 PolarHBondContact NZ-OE1 2.95Å; K82-E100 IonicContact NZ-OE2 2.89Å; K82-E100 PolarHBondContact NZ-OE2 3.31Å; K82-Y128 CarbonylContact O-C 3.53Å; K82-Y128 VanDerWaalsContact O-CA 3.3Å; K82-Y128 WeakPolarHBondContact O-CA 3.35Å; K82-L129 HydrophobicContact CB-CB 4.28Å; K82-L129 HydrophobicContact CD-CD1 4.49Å; K82-L129 PolarHBondContact N-O 3.07Å; K82-L129 PolarHBondContact O-N 2.87Å; K82-L131 HydrophobicContact CB-CD1 4.05Å; K82-L131 HydrophobicContact CD-CD1 4.46Å; K82-D195 IonicContact NZ-OD1 3.65Å; K82-D195 PolarHBondContact NZ-OD1 2.77Å |
| 83 | K | 89.5 | Confident | 78.6 | Confident | 74 Ų | 74 | 76 Ų | 76 | 32% | 0.322 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 119.7 | 174.8 | -173.2 | -179.5 | 178.9 | -179.6 | 0 | 109 | V66 T126 Y128 | V66-K83 WeakPolarHBondContact O-CB 3.27Å; V66-K83 PolarHBondContact O-N 3.04Å; K83-T126 HydrophobicContact CD-CG2 4.44Å; K83-T126 HydrophobicContact CG-CG2 4.22Å; K83-Y128 HydrophobicContact CB-CD1 3.79Å; K83-Y128 HydrophobicContact CB-CE1 3.5Å; K83-Y128 VanDerWaalsContact CB-CE1 3.5Å; K83-Y128 HydrophobicContact CD-CE1 4.19Å; K83-Y128 HydrophobicContact CG-CD1 4.23Å; K83-Y128 HydrophobicContact CG-CE1 3.68Å |
| 84 | M | 84 | Confident | 77.7 | Confident | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.02 | 39% | 0.39 | C | S | . | . | trans | -80.4 | 129.6 | 176.5 | -59.1 | -54.7 | -73.2 | 0 | 0 | 109.5 | K82 T86 S97 E100 F127 L129 | K82-M84 HydrophobicContact CD-SD 4.33Å; K82-M84 HydrophobicContact CG-SD 4.14Å; K82-M84 PolarHBondContact O-N 3.05Å; M84-T86 PolarHBondContact O-N 2.82Å; M84-S97 VanDerWaalsContact CE-CB 3.42Å; M84-S97 WeakPolarHBondContact CE-OG 3.48Å; M84-E100 WeakPolarHBondContact CE-OE2 3.26Å; M84-F127 HydrophobicContact CB-CD1 4.23Å; M84-F127 HydrophobicContact CB-CD2 4.27Å; M84-F127 HydrophobicContact CB-CE1 3.79Å; M84-F127 HydrophobicContact CB-CE2 3.88Å; M84-F127 HydrophobicContact CB-CG 4.46Å; M84-F127 HydrophobicContact CB-CZ 3.63Å; M84-F127 HydrophobicContact CG-CD2 3.89Å; M84-F127 HydrophobicContact CG-CE1 4.29Å; M84-F127 HydrophobicContact CG-CE2 3.43Å; M84-F127 VanDerWaalsContact CG-CE2 3.43Å; M84-F127 HydrophobicContact CG-CZ 3.66Å; M84-F127 PolarHBondContact N-O 3.07Å; M84-L129 HydrophobicContact CE-CD1 4.32Å; M84-L129 HydrophobicContact CG-CD2 4.39Å; M84-L129 HydrophobicContact CG-CG 4.04Å; M84-L129 HydrophobicContact SD-CD1 3.75Å; M84-L129 HydrophobicContact SD-CG 3.77Å | ||
| 85 | R | 70.1 | Confident | 77 | Confident | 130 Ų | 130 | 73.2 Ų | 73.2 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | trans | -73.9 | 114.1 | 174.6 | -70.9 | -178 | 174.4 | 177.6 | -3.1 | 108.7 | T63 P94 | T63-R85 PolarHBondContact O-NH1 2.96Å; R85-P94 WeakPolarHBondContact O-CG 3.45Å | ||
| 86 | T | 63.3 | Low | 76.1 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 17% | 0.166 | 39% | 0.387 | C | S | . | . | trans | -82.5 | 120.6 | 160.6 | 15 | 0 | 0 | 0 | 0 | 107.9 | M84 C88 I93 D125 | M84-T86 PolarHBondContact O-N 2.82Å; T86-C88 PolarHBondContact O-N 3.4Å; T86-I93 HydrophobicContact CG2-CG1 4.49Å; T86-D125 VanDerWaalsContact CB-O 3.25Å; T86-D125 WeakPolarHBondContact CB-O 3.39Å; T86-D125 HydrophobicContact CG2-CB 3.95Å; T86-D125 WeakPolarHBondContact CG2-O 3.46Å; T86-D125 PolarHBondContact OG1-O 2.98Å | ||
| 87 | T | 56.8 | Low | 75.5 | Confident | 88 Ų | 88 | 70.5 Ų | 70.5 | 54% | 0.54 | 37% | 0.373 | S | S | . | . | trans | -70.6 | 118 | 168.1 | 42.1 | 0 | 0 | 0 | 0 | 107.4 | N89 | T87-N89 PolarHBondContact O-N 3.07Š| ||
| 88 | C | 47.7 | Very low | 75 | Confident | 124 Ų | 124 | 68.7 Ų | 68.7 | 84% | 0.838 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -64.1 | 14 | -175.3 | -53.3 | 0 | 0 | 0 | 0 | 115.3 | T86 | T86-C88 PolarHBondContact O-N 3.4Š|
| 89 | N | 46.5 | Very low | 74.5 | Confident | 129 Ų | 129 | 70.1 Ų | 70.1 | 69% | 0.69 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -111.6 | 90.5 | -174.6 | -69.2 | 7.6 | 0 | 0 | 0 | 109.7 | T87 E91 | T87-N89 PolarHBondContact O-N 3.07Å; N89-E91 PolarHBondContact O-N 3.33Å |
| 90 | Q | 53.3 | Low | 74.1 | Confident | 208 Ų | 208 | 70.2 Ų | 70.2 | 97% | 0.972 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 50.7 | -13 | 156.5 | -63.6 | -174.2 | -13.2 | 0 | 0 | 121.1 | ||
| 91 | E | 57.1 | Low | 73.8 | Confident | 185 Ų | 185 | 70.8 Ų | 70.8 | 86% | 0.864 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -101.1 | 3.5 | -175.8 | -65.9 | -165.5 | 156.9 | 0 | 0 | 114 | N89 | N89-E91 PolarHBondContact O-N 3.33Š|
| 92 | G | 67.7 | Low | 73.7 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 37% | 0.371 | 39% | 0.392 | S | S | . | . | trans | 73.6 | -141.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 93 | I | 72.3 | Confident | 73.7 | Confident | 68 Ų | 68 | 73.8 Ų | 73.8 | 35% | 0.349 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -70.3 | 128.2 | -177.4 | -61.7 | 171.6 | 0 | 0 | 0 | 109.8 | T86 L95 L98 F127 | T86-I93 HydrophobicContact CG2-CG1 4.49Å; I93-L95 PolarHBondContact O-N 2.71Å; I93-L98 HydrophobicContact CG2-CD2 3.96Å; I93-L98 HydrophobicContact CG2-CG 3.86Å; I93-F127 HydrophobicContact CB-CE1 4.41Å; I93-F127 HydrophobicContact CD1-CD1 4.3Å; I93-F127 HydrophobicContact CD1-CE1 4.03Å; I93-F127 HydrophobicContact CG1-CE1 4.04Å; I93-F127 HydrophobicContact CG2-CE1 3.55Å; I93-F127 HydrophobicContact CG2-CZ 3.78Å |
| 94 | P | 74.3 | Confident | 73.8 | Confident | 24 Ų | 24 | 70.5 Ų | 70.5 | 16% | 0.156 | 38% | 0.375 | C | S | . | . | trans | -56.8 | 135.8 | 178.4 | -24.1 | 32.6 | 0 | 0 | 0 | 112.4 | R85 S96 S97 L98 | R85-P94 WeakPolarHBondContact O-CG 3.45Å; P94-S96 PolarHBondContact O-N 3.44Å; P94-S96 VanDerWaalsContact O-N 3.14Å; P94-S97 WeakPolarHBondContact O-CA 3.26Å; P94-S97 WeakPolarHBondContact O-CB 3.1Å; P94-S97 PolarHBondContact O-N 2.81Å; P94-L98 PolarHBondContact O-N 3.41Å; P94-L98 VanDerWaalsContact O-N 3.16Å | ||
| 95 | L | 78 | Confident | 74.2 | Confident | 133 Ų | 133 | 75.6 Ų | 75.6 | 70% | 0.696 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.2 | -29.6 | 175.9 | -74.4 | 170.5 | 0 | 0 | 0 | 112.8 | I93 R99 | I93-L95 PolarHBondContact O-N 2.71Å; L95-R99 VanDerWaalsContact O-CB 3.31Å; L95-R99 WeakPolarHBondContact O-CB 3.32Å; L95-R99 PolarHBondContact O-N 2.95Å |
| 96 | S | 76.5 | Confident | 75.2 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 172.5 | 47.6 | 0 | 0 | 0 | 0 | 111.9 | P94 R99 E100 | P94-S96 PolarHBondContact O-N 3.44Å; P94-S96 VanDerWaalsContact O-N 3.14Å; S96-R99 PolarHBondContact O-N 3.36Å; S96-E100 PolarHBondContact O-N 3.08Å |
| 97 | S | 81 | Confident | 76.6 | Confident | 8 Ų | 8 | 74 Ų | 74 | 6% | 0.056 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 178.6 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | M84 P94 R99 E100 V101 | M84-S97 VanDerWaalsContact CE-CB 3.42Å; M84-S97 WeakPolarHBondContact CE-OG 3.48Å; P94-S97 WeakPolarHBondContact O-CA 3.26Å; P94-S97 WeakPolarHBondContact O-CB 3.1Å; P94-S97 PolarHBondContact O-N 2.81Å; S97-R99 VanDerWaalsContact C-N 3.28Å; S97-R99 PolarHBondContact O-N 3.47Å; S97-E100 PolarHBondContact O-N 3.2Å; S97-V101 VanDerWaalsContact O-CG2 3.31Å; S97-V101 WeakPolarHBondContact O-CG2 3.37Å; S97-V101 PolarHBondContact O-N 2.92Å |
| 98 | L | 83.5 | Confident | 78.5 | Confident | 86 Ų | 86 | 78.7 Ų | 78.7 | 45% | 0.45 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 174.4 | -68.6 | 178.3 | 0 | 0 | 0 | 112 | I93 P94 N102 | I93-L98 HydrophobicContact CG2-CD2 3.96Å; I93-L98 HydrophobicContact CG2-CG 3.86Å; P94-L98 PolarHBondContact O-N 3.41Å; P94-L98 VanDerWaalsContact O-N 3.16Å; L98-N102 VanDerWaalsContact O-CB 3.31Å; L98-N102 WeakPolarHBondContact O-CB 3.4Å; L98-N102 PolarHBondContact O-N 3.45Å |
| 99 | R | 86 | Confident | 80.9 | Confident | 74 Ų | 74 | 75.2 Ų | 75.2 | 28% | 0.279 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 175.8 | -169.5 | -174.4 | -54.9 | 112 | 8.5 | 111.9 | L95 S96 S97 V101 N102 I103 A199 | L95-R99 VanDerWaalsContact O-CB 3.31Å; L95-R99 WeakPolarHBondContact O-CB 3.32Å; L95-R99 PolarHBondContact O-N 2.95Å; S96-R99 PolarHBondContact O-N 3.36Å; S97-R99 VanDerWaalsContact C-N 3.28Å; S97-R99 PolarHBondContact O-N 3.47Å; R99-V101 VanDerWaalsContact C-N 3.33Å; R99-V101 PolarHBondContact O-N 2.88Å; R99-N102 PolarHBondContact O-N 3.42Å; R99-I103 HydrophobicContact CG-CD1 3.94Å; R99-I103 HydrophobicContact CG-CG1 4.44Å; R99-I103 WeakPolarHBondContact O-CB 3.45Å; R99-I103 WeakPolarHBondContact O-CG1 3.4Å; R99-I103 PolarHBondContact O-N 2.79Å; R99-A199 WeakPolarHBondContact CD-O 3.5Å |
| 100 | E | 88.1 | Confident | 83.3 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.019 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 175.8 | 179.9 | 169.8 | -167.5 | 0 | 0 | 110.8 | K82 M84 S96 S97 I103 L104 L129 F196 | K82-E100 IonicContact NZ-OE1 3.34Å; K82-E100 PolarHBondContact NZ-OE1 2.95Å; K82-E100 IonicContact NZ-OE2 2.89Å; K82-E100 PolarHBondContact NZ-OE2 3.31Å; M84-E100 WeakPolarHBondContact CE-OE2 3.26Å; S96-E100 PolarHBondContact O-N 3.08Å; S97-E100 PolarHBondContact O-N 3.2Å; E100-I103 PolarHBondContact O-N 3.15Å; E100-L104 HydrophobicContact CG-CD1 3.89Å; E100-L104 WeakPolarHBondContact O-CB 3.42Å; E100-L104 WeakPolarHBondContact O-CG 3.38Å; E100-L104 PolarHBondContact O-N 2.95Å; E100-L129 HydrophobicContact CG-CD1 4.09Å; E100-F196 HydrophobicContact CG-CB 4.1Å |
| 101 | V | 89 | Confident | 85.4 | Confident | 20 Ų | 20 | 64.6 Ų | 64.6 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.9 | -50.9 | 173.6 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | S97 R99 I103 L104 L105 V118 F127 L129 | S97-V101 VanDerWaalsContact O-CG2 3.31Å; S97-V101 WeakPolarHBondContact O-CG2 3.37Å; S97-V101 PolarHBondContact O-N 2.92Å; R99-V101 VanDerWaalsContact C-N 3.33Å; R99-V101 PolarHBondContact O-N 2.88Å; V101-I103 PolarHBondContact O-N 3.26Å; V101-L104 PolarHBondContact O-N 2.86Å; V101-L105 HydrophobicContact CG1-CD1 3.61Å; V101-L105 HydrophobicContact CG1-CG 4.11Å; V101-L105 WeakPolarHBondContact O-CB 3.33Å; V101-L105 VanDerWaalsContact O-CG 3.24Å; V101-L105 WeakPolarHBondContact O-CG 3.44Å; V101-L105 PolarHBondContact O-N 3.47Å; V101-V118 HydrophobicContact CG1-CG2 4.25Å; V101-F127 HydrophobicContact CG2-CE2 4.13Å; V101-L129 HydrophobicContact CG2-CD2 3.45Å; V101-L129 VanDerWaalsContact CG2-CD2 3.45Å |
| 102 | N | 90.7 | Very high | 87.4 | Confident | 78 Ų | 78 | 56 Ų | 56 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | -177.7 | -176.7 | -88.7 | 0 | 0 | 0 | 112.2 | L98 R99 N106 | L98-N102 VanDerWaalsContact O-CB 3.31Å; L98-N102 WeakPolarHBondContact O-CB 3.4Å; L98-N102 PolarHBondContact O-N 3.45Å; R99-N102 PolarHBondContact O-N 3.42Å; N102-N106 PolarHBondContact O-N 3.39Å; N102-N106 PolarHBondContact O-ND2 3.04Å |
| 103 | I | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -54.5 | 176.1 | -75.2 | 171.9 | 0 | 0 | 0 | 109.7 | R99 E100 V101 L105 N106 I107 I173 F196 A199 Y201 | R99-I103 HydrophobicContact CG-CD1 3.94Å; R99-I103 HydrophobicContact CG-CG1 4.44Å; R99-I103 WeakPolarHBondContact O-CB 3.45Å; R99-I103 WeakPolarHBondContact O-CG1 3.4Å; R99-I103 PolarHBondContact O-N 2.79Å; E100-I103 PolarHBondContact O-N 3.15Å; V101-I103 PolarHBondContact O-N 3.26Å; I103-L105 VanDerWaalsContact C-N 3.31Å; I103-L105 PolarHBondContact O-N 3.46Å; I103-N106 PolarHBondContact O-N 2.93Å; I103-N106 VanDerWaalsContact O-N 3.12Å; I103-I107 HydrophobicContact CG2-CD1 3.75Å; I103-I107 WeakPolarHBondContact O-CG1 3.19Å; I103-I107 PolarHBondContact O-N 3.38Å; I103-I173 HydrophobicContact CG2-CD1 4.06Å; I103-I173 HydrophobicContact CG2-CG2 4.48Å; I103-F196 HydrophobicContact CG2-CB 4.46Å; I103-F196 HydrophobicContact CG2-CD1 3.79Å; I103-F196 HydrophobicContact CG2-CE1 4.43Å; I103-F196 HydrophobicContact CG2-CG 4.32Å; I103-A199 HydrophobicContact CD1-CB 3.74Å; I103-Y201 HydrophobicContact CG1-CE2 4.31Å |
| 104 | L | 93 | Very high | 89.9 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -28.9 | -174.8 | -72.6 | 173.8 | 0 | 0 | 0 | 113.7 | E100 V101 N106 I107 I113 L115 L129 L131 F196 | E100-L104 HydrophobicContact CG-CD1 3.89Å; E100-L104 WeakPolarHBondContact O-CB 3.42Å; E100-L104 WeakPolarHBondContact O-CG 3.38Å; E100-L104 PolarHBondContact O-N 2.95Å; V101-L104 PolarHBondContact O-N 2.86Å; L104-N106 VanDerWaalsContact C-N 3.33Å; L104-I107 HydrophobicContact CD2-CD1 4.36Å; L104-I113 HydrophobicContact CD2-CG2 4.01Å; L104-L115 HydrophobicContact CB-CB 3.77Å; L104-L115 HydrophobicContact CB-CD2 3.93Å; L104-L115 HydrophobicContact CB-CG 4.46Å; L104-L129 HydrophobicContact CD1-CD1 4.39Å; L104-L131 HydrophobicContact CD1-CD2 4.14Å; L104-F196 HydrophobicContact CD2-CD2 3.69Å; L104-F196 HydrophobicContact CD2-CE2 4.03Å; L104-F196 HydrophobicContact CD2-CG 4.2Å; L104-F196 HydrophobicContact CG-CD2 4.39Å |
| 105 | L | 90.9 | Very high | 90.9 | Very high | 112 Ų | 112 | 56.3 Ų | 56.3 | 59% | 0.586 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -68.3 | -31.6 | 173.9 | -77.1 | 174.8 | 0 | 0 | 0 | 112.8 | V101 I103 L115 | V101-L105 HydrophobicContact CG1-CD1 3.61Å; V101-L105 HydrophobicContact CG1-CG 4.11Å; V101-L105 WeakPolarHBondContact O-CB 3.33Å; V101-L105 VanDerWaalsContact O-CG 3.24Å; V101-L105 WeakPolarHBondContact O-CG 3.44Å; V101-L105 PolarHBondContact O-N 3.47Å; I103-L105 VanDerWaalsContact C-N 3.31Å; I103-L105 PolarHBondContact O-N 3.46Å; L105-L115 HydrophobicContact CD2-CD2 3.74Å; L105-L115 HydrophobicContact CG-CD2 3.78Å |
| 106 | N | 91.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 52.4 Ų | 52.4 | 59% | 0.588 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -97.3 | -2.5 | -173.6 | -72.5 | -69.4 | 0 | 0 | 0 | 113.8 | N102 I103 L104 | N102-N106 PolarHBondContact O-N 3.39Å; N102-N106 PolarHBondContact O-ND2 3.04Å; I103-N106 PolarHBondContact O-N 2.93Å; I103-N106 VanDerWaalsContact O-N 3.12Å; L104-N106 VanDerWaalsContact C-N 3.33Å |
| 107 | I | 93.7 | Very high | 92.3 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | trans | -120 | 140.3 | -179.1 | 69.4 | -177.7 | 0 | 0 | 0 | 112.2 | I103 L104 I112 F167 L168 I173 F196 | I103-I107 HydrophobicContact CG2-CD1 3.75Å; I103-I107 WeakPolarHBondContact O-CG1 3.19Å; I103-I107 PolarHBondContact O-N 3.38Å; L104-I107 HydrophobicContact CD2-CD1 4.36Å; I107-I112 HydrophobicContact CD1-CG2 3.76Å; I107-I112 HydrophobicContact CG1-CG2 4.29Å; I107-F167 HydrophobicContact CB-CE1 3.9Å; I107-F167 HydrophobicContact CB-CZ 4.18Å; I107-F167 HydrophobicContact CG2-CE1 4.23Å; I107-F167 HydrophobicContact CG2-CZ 4.48Å; I107-L168 HydrophobicContact CD1-CD2 3.85Å; I107-I173 HydrophobicContact CG2-CD1 3.61Å; I107-F196 HydrophobicContact CD1-CE1 4.11Å; I107-F196 HydrophobicContact CD1-CZ 4.29Å | ||
| 108 | R | 95.5 | Very high | 92.8 | Very high | 185 Ų | 185 | 51.6 Ų | 51.6 | 70% | 0.698 | 24% | 0.237 | S | C | * | . | trans | -145.2 | 117.3 | 172.9 | -171.8 | 173.1 | 177.8 | 173.7 | -3.4 | 109.8 | ||||
| 109 | H | 97.9 | Very high | 93.1 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 24% | 0.241 | 22% | 0.215 | C | C | . | . | trans | -153.3 | 149.9 | 178 | -176.8 | -98.8 | 0 | 0 | 0 | 109.2 | N111 I112 F167 | H109-N111 VanDerWaalsContact C-N 3.28Å; H109-N111 PolarHBondContact CE1-OD1 2.98Å; H109-N111 PolarHBondContact ND1-N 3.35Å; H109-N111 VanDerWaalsContact ND1-N 3.14Å; H109-N111 PolarHBondContact O-N 3.04Å; H109-I112 HydrophobicContact CB-CB 4.17Å; H109-I112 HydrophobicContact CB-CG1 3.73Å; H109-I112 PolarHBondContact O-N 2.82Å; H109-I112 VanDerWaalsContact O-N 3.15Å; H109-I112 VanDerWaalsContact O-O 3.09Å; H109-F167 HydrophobicContact CB-CD1 3.6Å; H109-F167 HydrophobicContact CB-CD2 4.18Å; H109-F167 HydrophobicContact CB-CE1 3.79Å; H109-F167 HydrophobicContact CB-CE2 4.33Å; H109-F167 HydrophobicContact CB-CG 3.82Å; H109-F167 HydrophobicContact CB-CZ 4.15Å; H109-F167 AromaticContact CD2-CD2 3.89Å; H109-F167 AromaticContact CD2-CG 3.77Å; H109-F167 AromaticContact CG-CD1 3.99Å; H109-F167 AromaticContact CG-CG 3.78Å | ||
| 110 | R | 97.4 | Very high | 93.2 | Very high | 114 Ų | 114 | 46.5 Ų | 46.5 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -39.8 | -176 | 69.8 | -171.7 | -57.5 | -127.2 | -3.6 | 112.5 | I112 E163 K192 E346 | R110-I112 VanDerWaalsContact C-N 3.32Å; R110-I112 PolarHBondContact O-N 3.13Å; R110-E163 IonicContact NH1-OE2 2.71Å; R110-K192 WeakPolarHBondContact O-CG 3.41Å; R110-K192 PolarHBondContact O-NZ 3.25Å; R110-E346 IonicContact CZ-OE1 3.83Å; R110-E346 IonicContact CZ-OE2 3.99Å; R110-E346 IonicContact NH1-OE1 3.77Å; R110-E346 PolarHBondContact NH1-OE1 3.39Å; R110-E346 IonicContact NH2-OE1 3.66Å; R110-E346 PolarHBondContact NH2-OE1 3.45Å; R110-E346 IonicContact NH2-OE2 2.72Å; R110-E346 PolarHBondContact NH2-OE2 3.37Å |
| 111 | N | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 18 | -179.8 | -50.2 | 105.8 | 0 | 0 | 0 | 114.5 | H109 Q160 E163 L191 K192 I193 | H109-N111 VanDerWaalsContact C-N 3.28Å; H109-N111 PolarHBondContact CE1-OD1 2.98Å; H109-N111 PolarHBondContact ND1-N 3.35Å; H109-N111 VanDerWaalsContact ND1-N 3.14Å; H109-N111 PolarHBondContact O-N 3.04Å; N111-Q160 WeakPolarHBondContact CB-O 3.24Å; N111-Q160 VanDerWaalsContact CG-O 3.32Å; N111-Q160 WeakPolarHBondContact ND2-CB 3.14Å; N111-Q160 PolarHBondContact ND2-OE1 3.01Å; N111-Q160 VanDerWaalsContact ND2-OE1 3.14Å; N111-E163 PolarHBondContact OD1-OE2 3.29Å; N111-L191 WeakPolarHBondContact CA-O 3.2Å; N111-L191 WeakPolarHBondContact CB-O 3.48Å; N111-L191 PolarHBondContact ND2-O 3.34Å; N111-K192 WeakPolarHBondContact O-CA 3.42Å; N111-I193 PolarHBondContact O-N 3.31Å |
| 112 | I | 98 | Very high | 92.4 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -123.8 | 137.4 | 174.8 | -55.5 | -62.9 | 0 | 0 | 0 | 107.9 | I107 H109 R110 R114 F167 L168 I193 F196 | I107-I112 HydrophobicContact CD1-CG2 3.76Å; I107-I112 HydrophobicContact CG1-CG2 4.29Å; H109-I112 HydrophobicContact CB-CB 4.17Å; H109-I112 HydrophobicContact CB-CG1 3.73Å; H109-I112 PolarHBondContact O-N 2.82Å; H109-I112 VanDerWaalsContact O-N 3.15Å; H109-I112 VanDerWaalsContact O-O 3.09Å; R110-I112 VanDerWaalsContact C-N 3.32Å; R110-I112 PolarHBondContact O-N 3.13Å; I112-R114 PolarHBondContact O-N 3.13Å; I112-F167 HydrophobicContact CG1-CD1 4.13Å; I112-L168 HydrophobicContact CD1-CD1 3.75Å; I112-L168 HydrophobicContact CD1-CD2 3.94Å; I112-L168 HydrophobicContact CD1-CG 3.69Å; I112-L168 HydrophobicContact CG1-CD2 4.39Å; I112-I193 HydrophobicContact CD1-CB 3.98Å; I112-I193 HydrophobicContact CD1-CD1 4.01Å; I112-I193 HydrophobicContact CD1-CG1 4.34Å; I112-F196 HydrophobicContact CD1-CZ 4.23Å; I112-F196 HydrophobicContact CG2-CE2 3.89Å; I112-F196 HydrophobicContact CG2-CZ 3.65Å |
| 113 | I | 96.7 | Very high | 91.8 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 129.4 | 177.3 | -163.1 | 68.2 | 0 | 0 | 0 | 110.5 | L104 L131 E132 L184 K192 I193 A194 F196 | L104-I113 HydrophobicContact CD2-CG2 4.01Å; I113-L131 HydrophobicContact CG1-CB 4.29Å; I113-L131 HydrophobicContact CG1-CD2 4.25Å; I113-L131 HydrophobicContact CG2-CD2 4.44Å; I113-E132 HydrophobicContact CD1-CG 3.39Å; I113-E132 HydrophobicContact CG1-CG 4.18Å; I113-L184 HydrophobicContact CD1-CD1 3.97Å; I113-K192 HydrophobicContact CD1-CD 4.29Å; I113-I193 PolarHBondContact N-O 3.15Å; I113-A194 HydrophobicContact CB-CB 4.1Å; I113-A194 HydrophobicContact CG2-CB 4Å; I113-F196 HydrophobicContact CG2-CD2 4.45Å; I113-F196 HydrophobicContact CG2-CE2 4.21Å |
| 114 | R | 95.9 | Very high | 90.7 | Very high | 114 Ų | 114 | 65.9 Ų | 65.9 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 127.8 | 179.8 | -175.9 | 178 | 176.3 | -166.9 | -4.5 | 110.9 | I112 L131 E132 | I112-R114 PolarHBondContact O-N 3.13Å; R114-L131 WeakPolarHBondContact O-CA 3.23Å; R114-E132 HydrophobicContact CB-CB 4.44Å; R114-E132 HydrophobicContact CB-CG 4.11Å; R114-E132 VanDerWaalsContact CB-OE1 3.25Å; R114-E132 WeakPolarHBondContact CB-OE1 3.21Å; R114-E132 PolarHBondContact N-OE1 3.15Å; R114-E132 PolarHBondContact O-N 3.44Å |
| 115 | L | 94.8 | Very high | 89.7 | Confident | 16 Ų | 16 | 70.1 Ų | 70.1 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 118.1 | 160.8 | -176.4 | 68.8 | 0 | 0 | 0 | 109.2 | L104 L105 D117 V118 L129 L131 | L104-L115 HydrophobicContact CB-CB 3.77Å; L104-L115 HydrophobicContact CB-CD2 3.93Å; L104-L115 HydrophobicContact CB-CG 4.46Å; L105-L115 HydrophobicContact CD2-CD2 3.74Å; L105-L115 HydrophobicContact CG-CD2 3.78Å; L115-D117 VanDerWaalsContact CD1-O 3.29Å; L115-D117 WeakPolarHBondContact CD1-O 3.41Å; L115-V118 HydrophobicContact CD2-CG2 4.3Å; L115-L129 HydrophobicContact CD1-CB 3.78Å; L115-L129 HydrophobicContact CD1-CD2 4.15Å; L115-L129 HydrophobicContact CD1-CG 4.42Å; L115-L131 HydrophobicContact CB-CD2 4.32Å; L115-L131 HydrophobicContact CD1-CD2 4.02Å |
| 116 | I | 93.4 | Very high | 89.2 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -46.7 | 178.7 | -60.5 | 174.3 | 0 | 0 | 0 | 109.6 | V79 V130 E132 | V79-I116 HydrophobicContact CG1-CD1 3.85Å; I116-V130 WeakPolarHBondContact CA-O 3.33Å; I116-V130 HydrophobicContact CB-CG1 4.26Å; I116-V130 WeakPolarHBondContact CB-O 3.49Å; I116-V130 PolarHBondContact N-O 2.82Å; I116-E132 HydrophobicContact CD1-CB 4.18Å |
| 117 | D | 91.1 | Very high | 89 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 171.5 | -176.1 | -145 | -34.4 | 0 | 0 | 0 | 111.5 | R48 L115 V130 | R48-D117 WeakPolarHBondContact CD-OD2 3.28Å; L115-D117 VanDerWaalsContact CD1-O 3.29Å; L115-D117 WeakPolarHBondContact CD1-O 3.41Å; D117-V130 HydrophobicContact CB-CB 3.94Å; D117-V130 HydrophobicContact CB-CG2 3.98Å; D117-V130 PolarHBondContact N-O 3.35Å; D117-V130 WeakPolarHBondContact O-CA 3.28Å; D117-V130 WeakPolarHBondContact O-CB 3.22Å; D117-V130 PolarHBondContact O-N 3.49Å |
| 118 | V | 90.9 | Very high | 88.9 | Confident | 23 Ų | 23 | 60.9 Ų | 60.9 | 14% | 0.139 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116.4 | 168.7 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | C47 R48 V101 L115 F127 L129 | C47-V118 WeakPolarHBondContact CA-O 3.43Å; C47-V118 VanDerWaalsContact CB-O 3.29Å; C47-V118 WeakPolarHBondContact CB-O 3.19Å; R48-V118 PolarHBondContact N-O 2.89Å; V101-V118 HydrophobicContact CG1-CG2 4.25Å; L115-V118 HydrophobicContact CD2-CG2 4.3Å; V118-F127 HydrophobicContact CG1-CD2 3.88Å; V118-L129 HydrophobicContact CG2-CD2 4.32Å |
| 119 | A | 90.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R48 F53 F127 Y128 V130 | R48-A119 CarbonylContact O-C 3.53Å; R48-A119 WeakPolarHBondContact O-CA 3.18Å; F53-A119 HydrophobicContact CD2-CB 3.88Å; F53-A119 HydrophobicContact CE2-CB 3.66Å; A119-F127 CarbonylContact O-C 3.5Å; A119-F127 WeakPolarHBondContact O-CA 3.42Å; A119-F127 WeakPolarHBondContact O-CB 3.38Å; A119-Y128 PolarHBondContact N-O 3.14Å; A119-Y128 PolarHBondContact O-N 3.28Å; A119-V130 HydrophobicContact CB-CG2 3.71Å |
| 120 | V | 87.9 | Confident | 88.5 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 33% | 0.327 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.5 | -175.4 | -172.3 | 0 | 0 | 0 | 0 | 110.3 | C47 R48 V50 F127 | C47-V120 HydrophobicContact CB-CG2 3.66Å; R48-V120 PolarHBondContact O-N 3.08Å; V50-V120 PolarHBondContact N-O 3.08Å; V120-F127 HydrophobicContact CG2-CB 4.47Å |
| 121 | S | 84.2 | Confident | 88.4 | Confident | 27 Ų | 27 | 45 Ų | 45 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | trans | -77.2 | 173.4 | 172.7 | -166.9 | 0 | 0 | 0 | 0 | 111 | D123 T126 | S121-D123 PolarHBondContact O-N 3.32Å; S121-D123 PolarHBondContact OG-OD2 2.99Å; S121-T126 WeakPolarHBondContact CB-O 3.36Å; S121-T126 PolarHBondContact N-O 3.16Å | ||
| 122 | R | 77 | Confident | 88.3 | Confident | 223 Ų | 223 | 47 Ų | 47 | 84% | 0.842 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -67.8 | -27 | 166.5 | -62.9 | -174.6 | -162.2 | 179.9 | 5 | 111.7 | I124 | R122-I124 PolarHBondContact O-N 3.37Š|
| 123 | D | 76.5 | Confident | 88.1 | Confident | 101 Ų | 101 | 48.3 Ų | 48.3 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -74.9 | 121.2 | 173.9 | -48.5 | -51.8 | 0 | 0 | 0 | 108.8 | S121 D125 T126 | S121-D123 PolarHBondContact O-N 3.32Å; S121-D123 PolarHBondContact OG-OD2 2.99Å; D123-D125 PolarHBondContact O-N 3.22Å; D123-D125 VanDerWaalsContact O-N 3.08Å; D123-T126 PolarHBondContact O-N 2.72Å |
| 124 | I | 68.8 | Low | 88 | Confident | 157 Ų | 157 | 48.7 Ų | 48.7 | 81% | 0.805 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -31.8 | -175.8 | -61.6 | 170.4 | 0 | 0 | 0 | 111.3 | R122 | R122-I124 PolarHBondContact O-N 3.37Š|
| 125 | D | 72.1 | Confident | 87.7 | Confident | 93 Ų | 93 | 44.8 Ų | 44.8 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -9.3 | -175.7 | -59.3 | -37.7 | 0 | 0 | 0 | 112.8 | T86 D123 | T86-D125 VanDerWaalsContact CB-O 3.25Å; T86-D125 WeakPolarHBondContact CB-O 3.39Å; T86-D125 HydrophobicContact CG2-CB 3.95Å; T86-D125 WeakPolarHBondContact CG2-O 3.46Å; T86-D125 PolarHBondContact OG1-O 2.98Å; D123-D125 PolarHBondContact O-N 3.22Å; D123-D125 VanDerWaalsContact O-N 3.08Å |
| 126 | T | 80.7 | Confident | 87.3 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | trans | -112.3 | 117.6 | -175 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | K83 S121 D123 Y128 | K83-T126 HydrophobicContact CD-CG2 4.44Å; K83-T126 HydrophobicContact CG-CG2 4.22Å; S121-T126 WeakPolarHBondContact CB-O 3.36Å; S121-T126 PolarHBondContact N-O 3.16Å; D123-T126 PolarHBondContact O-N 2.72Å; T126-Y128 HydrophobicContact CG2-CD2 4.38Å; T126-Y128 HydrophobicContact CG2-CE2 3.6Å | ||
| 127 | F | 87.5 | Confident | 87.3 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 163.7 | 168.9 | 71.8 | -79.3 | 0 | 0 | 0 | 111.4 | M84 I93 V101 V118 A119 V120 L129 | M84-F127 HydrophobicContact CB-CD1 4.23Å; M84-F127 HydrophobicContact CB-CD2 4.27Å; M84-F127 HydrophobicContact CB-CE1 3.79Å; M84-F127 HydrophobicContact CB-CE2 3.88Å; M84-F127 HydrophobicContact CB-CG 4.46Å; M84-F127 HydrophobicContact CB-CZ 3.63Å; M84-F127 HydrophobicContact CG-CD2 3.89Å; M84-F127 HydrophobicContact CG-CE1 4.29Å; M84-F127 HydrophobicContact CG-CE2 3.43Å; M84-F127 VanDerWaalsContact CG-CE2 3.43Å; M84-F127 HydrophobicContact CG-CZ 3.66Å; M84-F127 PolarHBondContact N-O 3.07Å; I93-F127 HydrophobicContact CB-CE1 4.41Å; I93-F127 HydrophobicContact CD1-CD1 4.3Å; I93-F127 HydrophobicContact CD1-CE1 4.03Å; I93-F127 HydrophobicContact CG1-CE1 4.04Å; I93-F127 HydrophobicContact CG2-CE1 3.55Å; I93-F127 HydrophobicContact CG2-CZ 3.78Å; V101-F127 HydrophobicContact CG2-CE2 4.13Å; V118-F127 HydrophobicContact CG1-CD2 3.88Å; A119-F127 CarbonylContact O-C 3.5Å; A119-F127 WeakPolarHBondContact O-CA 3.42Å; A119-F127 WeakPolarHBondContact O-CB 3.38Å; V120-F127 HydrophobicContact CG2-CB 4.47Å; F127-L129 HydrophobicContact CD2-CD2 4.47Å; F127-L129 HydrophobicContact CE2-CD2 4.14Å |
| 128 | Y | 91.2 | Very high | 87.4 | Confident | 9 Ų | 9 | 42.5 Ų | 42.5 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.9 | -174.1 | -63.4 | -101.2 | 0 | 0 | 0 | 109.3 | V50 Y68 L81 K82 K83 A119 T126 | V50-Y128 HydrophobicContact CB-CD2 4.22Å; V50-Y128 HydrophobicContact CB-CE2 4.32Å; V50-Y128 HydrophobicContact CG2-CD2 3.61Å; V50-Y128 HydrophobicContact CG2-CE2 3.66Å; V50-Y128 HydrophobicContact CG2-CG 4.16Å; Y68-Y128 HydrophobicContact CD2-CE1 4.47Å; Y68-Y128 HydrophobicContact CE2-CE1 4.44Å; L81-Y128 HydrophobicContact CB-CD1 4.11Å; K82-Y128 CarbonylContact O-C 3.53Å; K82-Y128 VanDerWaalsContact O-CA 3.3Å; K82-Y128 WeakPolarHBondContact O-CA 3.35Å; K83-Y128 HydrophobicContact CB-CD1 3.79Å; K83-Y128 HydrophobicContact CB-CE1 3.5Å; K83-Y128 VanDerWaalsContact CB-CE1 3.5Å; K83-Y128 HydrophobicContact CD-CE1 4.19Å; K83-Y128 HydrophobicContact CG-CD1 4.23Å; K83-Y128 HydrophobicContact CG-CE1 3.68Å; A119-Y128 PolarHBondContact N-O 3.14Å; A119-Y128 PolarHBondContact O-N 3.28Å; T126-Y128 HydrophobicContact CG2-CD2 4.38Å; T126-Y128 HydrophobicContact CG2-CE2 3.6Å |
| 129 | L | 92.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.2 | 164.2 | -53 | -175.4 | 0 | 0 | 0 | 108.1 | L81 K82 M84 E100 V101 L104 L115 V118 F127 L131 | L81-L129 WeakPolarHBondContact CA-O 3.29Å; K82-L129 HydrophobicContact CB-CB 4.28Å; K82-L129 HydrophobicContact CD-CD1 4.49Å; K82-L129 PolarHBondContact N-O 3.07Å; K82-L129 PolarHBondContact O-N 2.87Å; M84-L129 HydrophobicContact CE-CD1 4.32Å; M84-L129 HydrophobicContact CG-CD2 4.39Å; M84-L129 HydrophobicContact CG-CG 4.04Å; M84-L129 HydrophobicContact SD-CD1 3.75Å; M84-L129 HydrophobicContact SD-CG 3.77Å; E100-L129 HydrophobicContact CG-CD1 4.09Å; V101-L129 HydrophobicContact CG2-CD2 3.45Å; V101-L129 VanDerWaalsContact CG2-CD2 3.45Å; L104-L129 HydrophobicContact CD1-CD1 4.39Å; L115-L129 HydrophobicContact CD1-CB 3.78Å; L115-L129 HydrophobicContact CD1-CD2 4.15Å; L115-L129 HydrophobicContact CD1-CG 4.42Å; V118-L129 HydrophobicContact CG2-CD2 4.32Å; F127-L129 HydrophobicContact CD2-CD2 4.47Å; F127-L129 HydrophobicContact CE2-CD2 4.14Å; L129-L131 HydrophobicContact CB-CD1 4.45Å; L129-L131 HydrophobicContact CB-CD2 4.48Å; L129-L131 HydrophobicContact CB-CG 4.18Å |
| 130 | V | 94.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 103.4 | 172.2 | -170.3 | 0 | 0 | 0 | 0 | 107 | F53 V79 L81 I116 D117 A119 | F53-V130 HydrophobicContact CD1-CG1 4.16Å; F53-V130 HydrophobicContact CD2-CG2 4.36Å; F53-V130 HydrophobicContact CE1-CB 4.48Å; F53-V130 HydrophobicContact CE1-CG1 3.59Å; F53-V130 HydrophobicContact CE1-CG2 4.11Å; F53-V130 HydrophobicContact CE2-CG2 3.81Å; F53-V130 HydrophobicContact CZ-CB 4.36Å; F53-V130 HydrophobicContact CZ-CG1 3.93Å; F53-V130 HydrophobicContact CZ-CG2 3.65Å; V79-V130 HydrophobicContact CB-CG1 3.92Å; V79-V130 HydrophobicContact CG1-CG1 4.12Å; V79-V130 HydrophobicContact CG2-CG1 3.89Å; L81-V130 HydrophobicContact CD2-CB 4.26Å; L81-V130 HydrophobicContact CD2-CG1 4.22Å; L81-V130 HydrophobicContact CD2-CG2 3.73Å; I116-V130 WeakPolarHBondContact CA-O 3.33Å; I116-V130 HydrophobicContact CB-CG1 4.26Å; I116-V130 WeakPolarHBondContact CB-O 3.49Å; I116-V130 PolarHBondContact N-O 2.82Å; D117-V130 HydrophobicContact CB-CB 3.94Å; D117-V130 HydrophobicContact CB-CG2 3.98Å; D117-V130 PolarHBondContact N-O 3.35Å; D117-V130 WeakPolarHBondContact O-CA 3.28Å; D117-V130 WeakPolarHBondContact O-CB 3.22Å; D117-V130 PolarHBondContact O-N 3.49Å; A119-V130 HydrophobicContact CB-CG2 3.71Å |
| 131 | L | 95.3 | Very high | 87.5 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 155.6 | -177 | -61.7 | 163.2 | 0 | 0 | 0 | 109.8 | A80 K82 L104 I113 R114 L115 L129 | A80-L131 HydrophobicContact CB-CB 4.26Å; A80-L131 PolarHBondContact N-O 3.46Å; A80-L131 PolarHBondContact O-N 3.26Å; K82-L131 HydrophobicContact CB-CD1 4.05Å; K82-L131 HydrophobicContact CD-CD1 4.46Å; L104-L131 HydrophobicContact CD1-CD2 4.14Å; I113-L131 HydrophobicContact CG1-CB 4.29Å; I113-L131 HydrophobicContact CG1-CD2 4.25Å; I113-L131 HydrophobicContact CG2-CD2 4.44Å; R114-L131 WeakPolarHBondContact O-CA 3.23Å; L115-L131 HydrophobicContact CB-CD2 4.32Å; L115-L131 HydrophobicContact CD1-CD2 4.02Å; L129-L131 HydrophobicContact CB-CD1 4.45Å; L129-L131 HydrophobicContact CB-CD2 4.48Å; L129-L131 HydrophobicContact CB-CG 4.18Å |
| 132 | E | 95.3 | Very high | 87.8 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 20% | 0.201 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 144.7 | 165.7 | 69.6 | -177.2 | 138.6 | 0 | 0 | 110.6 | I113 R114 I116 K192 | I113-E132 HydrophobicContact CD1-CG 3.39Å; I113-E132 HydrophobicContact CG1-CG 4.18Å; R114-E132 HydrophobicContact CB-CB 4.44Å; R114-E132 HydrophobicContact CB-CG 4.11Å; R114-E132 VanDerWaalsContact CB-OE1 3.25Å; R114-E132 WeakPolarHBondContact CB-OE1 3.21Å; R114-E132 PolarHBondContact N-OE1 3.15Å; R114-E132 PolarHBondContact O-N 3.44Å; I116-E132 HydrophobicContact CD1-CB 4.18Å; E132-K192 HydrophobicContact CG-CD 4.39Å; E132-K192 WeakPolarHBondContact OE1-CD 3.31Å; E132-K192 WeakPolarHBondContact OE1-CE 3.5Å; E132-K192 IonicContact OE1-NZ 2.82Å; E132-K192 PolarHBondContact OE1-NZ 3.27Å; E132-K192 WeakPolarHBondContact OE2-CE 3.43Å; E132-K192 IonicContact OE2-NZ 3.56Å; E132-K192 PolarHBondContact OE2-NZ 3.34Å |
| 133 | Y | 94.5 | Very high | 88.5 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | trans | -87.1 | 131.8 | -179.6 | -179.8 | -99.7 | 0 | 0 | 0 | 110.5 | I59 R69 I78 A80 E135 | I59-Y133 HydrophobicContact CD1-CD2 4.25Å; I59-Y133 HydrophobicContact CD1-CE2 3.93Å; R69-Y133 HydrophobicContact CB-CE2 4.08Å; R69-Y133 HydrophobicContact CG-CD2 4.07Å; R69-Y133 HydrophobicContact CG-CE2 3.73Å; I78-Y133 HydrophobicContact CG2-CD1 3.83Å; I78-Y133 HydrophobicContact CG2-CD2 4.06Å; I78-Y133 HydrophobicContact CG2-CE1 4.36Å; I78-Y133 HydrophobicContact CG2-CG 3.66Å; I78-Y133 WeakPolarHBondContact O-CB 3.27Å; A80-Y133 HydrophobicContact CB-CD2 4.44Å; Y133-E135 HydrophobicContact CE1-CG 4.04Å | ||
| 134 | C | 93.4 | Very high | 89 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 9% | 0.088 | 19% | 0.189 | C | C | . | . | trans | -116.7 | 145.7 | 168 | -57.4 | 0 | 0 | 0 | 0 | 108.5 | L184 T186 K192 | C134-L184 HydrophobicContact CB-CB 3.59Å; C134-L184 HydrophobicContact CB-CD1 4.11Å; C134-L184 HydrophobicContact CB-CG 4.42Å; C134-T186 HydrophobicContact CB-CG2 4.42Å; C134-K192 VanDerWaalsContact SG-CD 3.59Å | ||
| 135 | E | 88.8 | Confident | 90 | Very high | 32 Ų | 32 | 29.3 Ų | 29.3 | 15% | 0.15 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -72.8 | -37.9 | -170.3 | -75.3 | 80.4 | -176.3 | 0 | 0 | 113.7 | Y133 L185 T186 N187 | Y133-E135 HydrophobicContact CE1-CG 4.04Å; E135-L185 PolarHBondContact N-O 2.98Å; E135-T186 WeakPolarHBondContact OE2-CA 3.26Å; E135-N187 HydrophobicContact CG-CB 4.45Å; E135-N187 VanDerWaalsContact CG-CG 3.42Å; E135-N187 WeakPolarHBondContact CG-ND2 3.15Å; E135-N187 VanDerWaalsContact CG-OD1 3.26Å; E135-N187 WeakPolarHBondContact CG-OD1 3.47Å; E135-N187 VanDerWaalsContact OE1-CG 3.24Å; E135-N187 PolarHBondContact OE1-ND2 2.83Å; E135-N187 PolarHBondContact OE2-N 2.85Å |
| 136 | Q | 88.4 | Confident | 90.6 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154.2 | -176.6 | -56.1 | -164.4 | 17.4 | 0 | 0 | 111.7 | L184 L185 | Q136-L184 CarbonylContact O-C 3.6Å; Q136-L184 WeakPolarHBondContact O-CA 3.3Å; Q136-L185 PolarHBondContact N-O 3.16Å; Q136-L185 PolarHBondContact O-N 3.36Å |
| 137 | D | 91.5 | Very high | 91 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 14% | 0.139 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 150.7 | 162.3 | 60.8 | 96.5 | 0 | 0 | 0 | 110.3 | A139 N140 L141 L183 L184 R356 | D137-A139 VanDerWaalsContact C-N 3.26Å; D137-A139 PolarHBondContact O-N 3.17Å; D137-A139 WeakPolarHBondContact OD1-CB 3.4Å; D137-A139 PolarHBondContact OD1-N 3.08Å; D137-N140 PolarHBondContact O-N 3.25Å; D137-N140 WeakPolarHBondContact OD1-CB 3.45Å; D137-N140 PolarHBondContact OD1-N 2.99Å; D137-N140 WeakPolarHBondContact OD2-CB 3.44Å; D137-L141 WeakPolarHBondContact O-CB 3.38Å; D137-L141 PolarHBondContact O-N 3.46Å; D137-L183 CarbonylContact C-O 3.49Å; D137-L183 WeakPolarHBondContact CA-O 3.46Å; D137-L184 HydrophobicContact CB-CD2 3.73Å; D137-R356 IonicContact OD2-NH2 3.65Å; D137-R356 PolarHBondContact OD2-NH2 3.04Å |
| 138 | L | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.1 | -29.1 | -176.9 | -74 | -170 | 0 | 0 | 0 | 112.8 | L141 M142 L157 M180 L183 L185 L191 | L138-L141 HydrophobicContact CD2-CD2 4.03Å; L138-L141 PolarHBondContact O-N 3.36Å; L138-M142 WeakPolarHBondContact O-CB 3.32Å; L138-M142 WeakPolarHBondContact O-CG 3.49Å; L138-M142 PolarHBondContact O-N 3.21Å; L138-L157 HydrophobicContact CD2-CD2 4.46Å; L138-M180 HydrophobicContact CB-CE 3.76Å; L138-M180 HydrophobicContact CB-SD 4.25Å; L138-M180 HydrophobicContact CD1-CE 4.31Å; L138-M180 HydrophobicContact CD1-SD 4.37Å; L138-M180 PolarHBondContact N-O 3.02Å; L138-L183 HydrophobicContact CB-CB 4.24Å; L138-L183 HydrophobicContact CD1-CB 3.77Å; L138-L183 HydrophobicContact CD1-CD1 3.82Å; L138-L183 HydrophobicContact CD1-CG 4.48Å; L138-L183 HydrophobicContact CG-CB 3.93Å; L138-L183 PolarHBondContact N-O 3.3Å; L138-L185 HydrophobicContact CD2-CB 4.31Å; L138-L185 HydrophobicContact CD2-CD2 4.37Å; L138-L191 HydrophobicContact CD1-CD1 3.76Å |
| 139 | A | 91.7 | Very high | 91.4 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 20% | 0.198 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -55.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D137 L141 M142 D143 M180 | D137-A139 VanDerWaalsContact C-N 3.26Å; D137-A139 PolarHBondContact O-N 3.17Å; D137-A139 WeakPolarHBondContact OD1-CB 3.4Å; D137-A139 PolarHBondContact OD1-N 3.08Å; A139-L141 PolarHBondContact O-N 2.81Å; A139-M142 PolarHBondContact O-N 3Å; A139-D143 PolarHBondContact O-N 3.38Å; A139-M180 HydrophobicContact CB-CB 3.8Å; A139-M180 PolarHBondContact N-O 3.24Å |
| 140 | N | 89.5 | Confident | 91.5 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -32.8 | 176.5 | -178.9 | 75.2 | 0 | 0 | 0 | 111.9 | D137 N144 | D137-N140 PolarHBondContact O-N 3.25Å; D137-N140 WeakPolarHBondContact OD1-CB 3.45Å; D137-N140 PolarHBondContact OD1-N 2.99Å; D137-N140 WeakPolarHBondContact OD2-CB 3.44Å; N140-N144 PolarHBondContact O-N 3.29Å; N140-N144 PolarHBondContact O-ND2 2.96Å; N140-N144 PolarHBondContact OD1-ND2 3.29Å; N140-N144 VanDerWaalsContact OD1-ND2 3.1Å |
| 141 | L | 90.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.6 | -46 | 176.8 | -177.9 | 56.7 | 0 | 0 | 0 | 112 | D137 L138 A139 D143 N144 M145 F149 L185 F352 | D137-L141 WeakPolarHBondContact O-CB 3.38Å; D137-L141 PolarHBondContact O-N 3.46Å; L138-L141 HydrophobicContact CD2-CD2 4.03Å; L138-L141 PolarHBondContact O-N 3.36Å; A139-L141 PolarHBondContact O-N 2.81Å; L141-D143 VanDerWaalsContact C-N 3.32Å; L141-D143 PolarHBondContact O-N 3.34Å; L141-N144 PolarHBondContact O-N 3.06Å; L141-M145 WeakPolarHBondContact O-CB 3.41Å; L141-M145 PolarHBondContact O-N 3.36Å; L141-F149 HydrophobicContact CD2-CE2 4.33Å; L141-F149 HydrophobicContact CD2-CZ 3.66Å; L141-F149 HydrophobicContact CG-CZ 4.28Å; L141-L185 HydrophobicContact CD2-CD2 3.8Å; L141-F352 HydrophobicContact CD1-CB 4.01Å; L141-F352 HydrophobicContact CD1-CD1 3.55Å; L141-F352 HydrophobicContact CD1-CD2 3.39Å; L141-F352 HydrophobicContact CD1-CE1 3.74Å; L141-F352 HydrophobicContact CD1-CE2 3.59Å; L141-F352 HydrophobicContact CD1-CG 3.34Å; L141-F352 HydrophobicContact CD1-CZ 3.75Å; L141-F352 HydrophobicContact CD2-CD2 3.87Å; L141-F352 HydrophobicContact CD2-CE2 3.63Å; L141-F352 HydrophobicContact CD2-CZ 4.25Å; L141-F352 HydrophobicContact CG-CD2 4.25Å; L141-F352 HydrophobicContact CG-CE2 4.1Å; L141-F352 HydrophobicContact CG-CZ 4.31Å |
| 142 | M | 92.3 | Very high | 91.7 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.069 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 178 | -70.7 | -74.8 | -73.5 | 0 | 0 | 112.5 | L138 A139 N144 M145 F149 M180 E245 L246 H249 | L138-M142 WeakPolarHBondContact O-CB 3.32Å; L138-M142 WeakPolarHBondContact O-CG 3.49Å; L138-M142 PolarHBondContact O-N 3.21Å; A139-M142 PolarHBondContact O-N 3Å; M142-N144 VanDerWaalsContact C-N 3.28Å; M142-N144 PolarHBondContact O-N 3.38Å; M142-M145 HydrophobicContact CG-SD 4.46Å; M142-M145 HydrophobicContact SD-SD 3.66Å; M142-M145 VanDerWaalsContact SD-SD 3.66Å; M142-F149 HydrophobicContact SD-CD2 3.84Å; M142-F149 HydrophobicContact SD-CE2 3.88Å; M142-M180 HydrophobicContact CE-CE 4.45Å; M142-M180 HydrophobicContact CG-CE 3.46Å; M142-M180 VanDerWaalsContact CG-CE 3.46Å; M142-M180 HydrophobicContact SD-CE 4.32Å; M142-E245 HydrophobicContact CE-CG 4.48Å; M142-E245 WeakPolarHBondContact CE-O 3.36Å; M142-L246 HydrophobicContact CE-CD2 4.35Å; M142-L246 HydrophobicContact SD-CD2 3.9Å; M142-H249 HydrophobicContact CE-CB 4.43Å; M142-H249 WeakPolarHBondContact CE-ND1 3.38Å; M142-H249 PolarHBondContact O-CE1 3.06Å |
| 143 | D | 90.1 | Very high | 91.7 | Very high | 136 Ų | 136 | 44.3 Ų | 44.3 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -69.1 | -24.7 | 178.5 | -71.4 | -20.8 | 0 | 0 | 0 | 113.5 | A139 L141 | A139-D143 PolarHBondContact O-N 3.38Å; L141-D143 VanDerWaalsContact C-N 3.32Å; L141-D143 PolarHBondContact O-N 3.34Å |
| 144 | N | 88.4 | Confident | 91.9 | Very high | 71 Ų | 71 | 42.9 Ų | 42.9 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -108.8 | -12.3 | -172.8 | -70 | -68.6 | 0 | 0 | 0 | 114.2 | N140 L141 M142 | N140-N144 PolarHBondContact O-N 3.29Å; N140-N144 PolarHBondContact O-ND2 2.96Å; N140-N144 PolarHBondContact OD1-ND2 3.29Å; N140-N144 VanDerWaalsContact OD1-ND2 3.1Å; L141-N144 PolarHBondContact O-N 3.06Å; M142-N144 VanDerWaalsContact C-N 3.28Å; M142-N144 PolarHBondContact O-N 3.38Å |
| 145 | M | 88.5 | Confident | 92.1 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 9% | 0.094 | 24% | 0.241 | C | C | . | . | trans | -78.6 | 132.4 | -179.6 | 68.7 | -162.5 | -68 | 0 | 0 | 111.3 | L141 M142 V147 F149 H249 F352 | L141-M145 WeakPolarHBondContact O-CB 3.41Å; L141-M145 PolarHBondContact O-N 3.36Å; M142-M145 HydrophobicContact CG-SD 4.46Å; M142-M145 HydrophobicContact SD-SD 3.66Å; M142-M145 VanDerWaalsContact SD-SD 3.66Å; M145-V147 WeakPolarHBondContact CE-O 3.24Å; M145-F149 HydrophobicContact CE-CB 4.45Å; M145-F149 HydrophobicContact CE-CD1 3.99Å; M145-F149 HydrophobicContact CE-CD2 3.66Å; M145-F149 HydrophobicContact CE-CE1 4.11Å; M145-F149 HydrophobicContact CE-CE2 3.79Å; M145-F149 HydrophobicContact CE-CG 3.77Å; M145-F149 HydrophobicContact CE-CZ 4.03Å; M145-F149 VanDerWaalsContact CE-N 3.34Å; M145-F149 HydrophobicContact SD-CD2 4.02Å; M145-F149 HydrophobicContact SD-CE2 3.82Å; M145-F149 HydrophobicContact SD-CZ 4.35Å; M145-H249 WeakPolarHBondContact CG-CE1 3.37Å; M145-H249 PolarHBondContact SD-CE1 3.28Å; M145-F352 HydrophobicContact CB-CE1 4.38Å; M145-F352 HydrophobicContact CE-CZ 4.49Å | ||
| 146 | T | 84.7 | Confident | 92.5 | Very high | 142 Ų | 142 | 41 Ų | 41 | 87% | 0.871 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -83.5 | -22 | 178 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 147 | V | 89 | Confident | 93 | Very high | 104 Ų | 104 | 40.4 Ų | 40.4 | 63% | 0.63 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -120.7 | 123.9 | 180 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | M145 | M145-V147 WeakPolarHBondContact CE-O 3.24Š|
| 148 | P | 93 | Very high | 93.3 | Very high | 63 Ų | 63 | 39.5 Ų | 39.5 | 41% | 0.409 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -56 | 157.1 | 175 | -26.6 | 34.6 | 0 | 0 | 0 | 113.3 | T150 H249 | P148-T150 PolarHBondContact O-N 3.37Å; P148-H249 HydrophobicContact CB-CB 3.87Å; P148-H249 HydrophobicContact CG-CB 3.95Å |
| 149 | F | 94.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.057 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 135.9 | 168.2 | -74.5 | -65.5 | 0 | 0 | 0 | 110 | L141 M142 M145 Q153 L157 L246 M349 P350 F352 | L141-F149 HydrophobicContact CD2-CE2 4.33Å; L141-F149 HydrophobicContact CD2-CZ 3.66Å; L141-F149 HydrophobicContact CG-CZ 4.28Å; M142-F149 HydrophobicContact SD-CD2 3.84Å; M142-F149 HydrophobicContact SD-CE2 3.88Å; M145-F149 HydrophobicContact CE-CB 4.45Å; M145-F149 HydrophobicContact CE-CD1 3.99Å; M145-F149 HydrophobicContact CE-CD2 3.66Å; M145-F149 HydrophobicContact CE-CE1 4.11Å; M145-F149 HydrophobicContact CE-CE2 3.79Å; M145-F149 HydrophobicContact CE-CG 3.77Å; M145-F149 HydrophobicContact CE-CZ 4.03Å; M145-F149 VanDerWaalsContact CE-N 3.34Å; M145-F149 HydrophobicContact SD-CD2 4.02Å; M145-F149 HydrophobicContact SD-CE2 3.82Å; M145-F149 HydrophobicContact SD-CZ 4.35Å; F149-Q153 HydrophobicContact CB-CB 4.16Å; F149-Q153 HydrophobicContact CD1-CB 3.81Å; F149-Q153 HydrophobicContact CD1-CG 4.46Å; F149-Q153 HydrophobicContact CG-CB 4.37Å; F149-L157 HydrophobicContact CD1-CD1 4.44Å; F149-L157 HydrophobicContact CD2-CD1 4.09Å; F149-L157 HydrophobicContact CE1-CD1 4.28Å; F149-L157 HydrophobicContact CE2-CD1 3.91Å; F149-L157 HydrophobicContact CG-CD1 4.34Å; F149-L157 HydrophobicContact CZ-CD1 4Å; F149-L246 HydrophobicContact CD2-CD2 3.85Å; F149-L246 HydrophobicContact CE2-CD2 4.1Å; F149-M349 HydrophobicContact CD1-CE 4.18Å; F149-M349 HydrophobicContact CE1-CE 3.67Å; F149-M349 HydrophobicContact CZ-CE 4.36Å; F149-P350 HydrophobicContact CD1-CG 4.45Å; F149-P350 HydrophobicContact CE1-CG 4.02Å; F149-F352 HydrophobicContact CE1-CE2 4.18Å; F149-F352 HydrophobicContact CE1-CZ 4.06Å; F149-F352 HydrophobicContact CZ-CE2 4.28Å; F149-F352 HydrophobicContact CZ-CZ 4.26Å |
| 150 | T | 95.3 | Very high | 93.8 | Very high | 73 Ų | 73 | 40 Ų | 40 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 156.4 | 168.1 | 63.5 | 0 | 0 | 0 | 0 | 109.9 | P148 S152 Q153 T154 | P148-T150 PolarHBondContact O-N 3.37Å; T150-S152 PolarHBondContact O-N 2.82Å; T150-S152 VanDerWaalsContact O-N 3.16Å; T150-Q153 WeakPolarHBondContact O-CB 3.37Å; T150-Q153 PolarHBondContact O-N 3.37Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.27Å; T150-Q153 PolarHBondContact OG1-N 3.44Å; T150-Q153 PolarHBondContact OG1-OE1 3.18Å; T150-Q153 VanDerWaalsContact OG1-OE1 3.07Å; T150-T154 PolarHBondContact O-N 2.71Å; T150-T154 PolarHBondContact O-OG1 3.12Å |
| 151 | E | 96.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 38.3 Ų | 38.3 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.9 | -34.8 | 177.5 | -172.5 | -172.8 | 149.2 | 0 | 0 | 112.2 | Q153 T154 K155 L247 Y336 P341 | E151-Q153 PolarHBondContact O-N 3.32Å; E151-T154 PolarHBondContact O-N 3.12Å; E151-K155 HydrophobicContact CG-CD 4.49Å; E151-K155 WeakPolarHBondContact O-CB 3.25Å; E151-K155 WeakPolarHBondContact O-CG 3.42Å; E151-K155 PolarHBondContact O-N 3.26Å; E151-K155 WeakPolarHBondContact OE1-CE 3.28Å; E151-K155 IonicContact OE1-NZ 3.03Å; E151-K155 PolarHBondContact OE1-NZ 3.21Å; E151-L247 HydrophobicContact CG-CD2 4.47Å; E151-Y336 WeakPolarHBondContact CG-OH 3.38Å; E151-Y336 WeakPolarHBondContact OE1-CE2 3.37Å; E151-Y336 PolarHBondContact OE1-OH 3.12Å; E151-P341 HydrophobicContact CB-CG 3.72Å; E151-P341 HydrophobicContact CG-CG 3.88Å |
| 152 | S | 97 | Very high | 94.7 | Very high | 27 Ų | 27 | 38.4 Ų | 38.4 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 173.9 | -176.2 | 0 | 0 | 0 | 0 | 112.6 | T150 C156 Y342 P343 C344 | T150-S152 PolarHBondContact O-N 2.82Å; T150-S152 VanDerWaalsContact O-N 3.16Å; S152-C156 PolarHBondContact O-N 3.14Å; S152-C156 VanDerWaalsContact O-N 3.13Å; S152-Y342 WeakPolarHBondContact CA-O 3.36Å; S152-Y342 VanDerWaalsContact CB-O 3.27Å; S152-Y342 WeakPolarHBondContact CB-O 3.32Å; S152-Y342 PolarHBondContact OG-O 3.5Å; S152-P343 WeakPolarHBondContact O-CA 3.45Å; S152-C344 PolarHBondContact O-N 2.75Å; S152-C344 VanDerWaalsContact O-N 3.13Å; S152-C344 WeakPolarHBondContact OG-CB 3.45Å; S152-C344 PolarHBondContact OG-N 3.23Å |
| 153 | Q | 96.5 | Very high | 95 | Very high | 34 Ų | 34 | 41 Ų | 41 | 16% | 0.159 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71 | -41.2 | 176.7 | -69.6 | 159.4 | -19.8 | 0 | 0 | 111.2 | F149 T150 E151 K155 C156 L157 M349 | F149-Q153 HydrophobicContact CB-CB 4.16Å; F149-Q153 HydrophobicContact CD1-CB 3.81Å; F149-Q153 HydrophobicContact CD1-CG 4.46Å; F149-Q153 HydrophobicContact CG-CB 4.37Å; T150-Q153 WeakPolarHBondContact O-CB 3.37Å; T150-Q153 PolarHBondContact O-N 3.37Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.27Å; T150-Q153 PolarHBondContact OG1-N 3.44Å; T150-Q153 PolarHBondContact OG1-OE1 3.18Å; T150-Q153 VanDerWaalsContact OG1-OE1 3.07Å; E151-Q153 PolarHBondContact O-N 3.32Å; Q153-K155 VanDerWaalsContact C-N 3.34Å; Q153-K155 PolarHBondContact O-N 3.08Å; Q153-C156 WeakPolarHBondContact O-CB 3.37Å; Q153-C156 PolarHBondContact O-N 2.91Å; Q153-C156 VanDerWaalsContact O-N 3.15Å; Q153-L157 WeakPolarHBondContact O-CG 3.29Å; Q153-L157 PolarHBondContact O-N 3.15Å; Q153-M349 HydrophobicContact CB-CE 4.23Å; Q153-M349 HydrophobicContact CB-SD 3.83Å; Q153-M349 HydrophobicContact CG-SD 3.84Å |
| 154 | T | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -41 | 175.5 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | T150 E151 L157 A158 L243 L246 L247 | T150-T154 PolarHBondContact O-N 2.71Å; T150-T154 PolarHBondContact O-OG1 3.12Å; E151-T154 PolarHBondContact O-N 3.12Å; T154-L157 PolarHBondContact O-N 3.49Å; T154-A158 VanDerWaalsContact O-CB 3.28Å; T154-A158 WeakPolarHBondContact O-CB 3.3Å; T154-A158 PolarHBondContact O-N 3.06Å; T154-L243 HydrophobicContact CG2-CD1 3.54Å; T154-L246 HydrophobicContact CG2-CB 3.62Å; T154-L246 HydrophobicContact CG2-CD1 4.29Å; T154-L247 HydrophobicContact CG2-CD2 3.76Å; T154-L247 HydrophobicContact CG2-CG 3.92Å |
| 155 | K | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 172.7 | -77.9 | 176.8 | -178.7 | 177.7 | 0 | 111.8 | E151 Q153 A158 L159 Y336 F337 E339 P341 P343 | E151-K155 HydrophobicContact CG-CD 4.49Å; E151-K155 WeakPolarHBondContact O-CB 3.25Å; E151-K155 WeakPolarHBondContact O-CG 3.42Å; E151-K155 PolarHBondContact O-N 3.26Å; E151-K155 WeakPolarHBondContact OE1-CE 3.28Å; E151-K155 IonicContact OE1-NZ 3.03Å; E151-K155 PolarHBondContact OE1-NZ 3.21Å; Q153-K155 VanDerWaalsContact C-N 3.34Å; Q153-K155 PolarHBondContact O-N 3.08Å; K155-A158 PolarHBondContact O-N 3.42Å; K155-L159 WeakPolarHBondContact O-CB 3.43Å; K155-L159 WeakPolarHBondContact O-CG 3.39Å; K155-L159 PolarHBondContact O-N 2.88Å; K155-Y336 HydrophobicContact CD-CE1 4.2Å; K155-Y336 WeakPolarHBondContact CE-O 3.45Å; K155-Y336 HydrophobicContact CG-CD1 4.29Å; K155-Y336 HydrophobicContact CG-CE1 3.62Å; K155-Y336 PolarHBondContact NZ-O 3.47Å; K155-F337 HydrophobicContact CB-CD1 4.14Å; K155-F337 HydrophobicContact CB-CE1 4.39Å; K155-F337 HydrophobicContact CG-CD1 4.09Å; K155-F337 HydrophobicContact CG-CE1 4.32Å; K155-E339 PolarHBondContact NZ-O 3.1Å; K155-E339 VanDerWaalsContact NZ-O 3.12Å; K155-P341 WeakPolarHBondContact CD-O 3.48Å; K155-P341 WeakPolarHBondContact CE-O 3.4Å; K155-P341 PolarHBondContact NZ-O 3.33Å; K155-P343 HydrophobicContact CB-CB 3.93Å |
| 156 | C | 97.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.9 | -50.1 | 175.5 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | S152 Q153 A158 L159 Q160 P343 C344 M349 | S152-C156 PolarHBondContact O-N 3.14Å; S152-C156 VanDerWaalsContact O-N 3.13Å; Q153-C156 WeakPolarHBondContact O-CB 3.37Å; Q153-C156 PolarHBondContact O-N 2.91Å; Q153-C156 VanDerWaalsContact O-N 3.15Å; C156-A158 PolarHBondContact O-N 3.4Å; C156-L159 PolarHBondContact O-N 3.46Å; C156-Q160 WeakPolarHBondContact O-CG 3.18Å; C156-Q160 PolarHBondContact O-N 2.99Å; C156-Q160 VanDerWaalsContact O-N 3.15Å; C156-P343 HydrophobicContact CB-CB 4.48Å; C156-C344 WeakPolarHBondContact CB-O 3.48Å; C156-C344 PolarHBondContact SG-O 2.9Å; C156-C344 VanDerWaalsContact SG-O 3.39Å; C156-M349 HydrophobicContact CB-SD 4.32Å |
| 157 | L | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 177.4 | -68.9 | 172.9 | 0 | 0 | 0 | 111.9 | L138 F149 Q153 T154 L159 Q160 I161 L185 L191 L246 M349 | L138-L157 HydrophobicContact CD2-CD2 4.46Å; F149-L157 HydrophobicContact CD1-CD1 4.44Å; F149-L157 HydrophobicContact CD2-CD1 4.09Å; F149-L157 HydrophobicContact CE1-CD1 4.28Å; F149-L157 HydrophobicContact CE2-CD1 3.91Å; F149-L157 HydrophobicContact CG-CD1 4.34Å; F149-L157 HydrophobicContact CZ-CD1 4Å; Q153-L157 WeakPolarHBondContact O-CG 3.29Å; Q153-L157 PolarHBondContact O-N 3.15Å; T154-L157 PolarHBondContact O-N 3.49Å; L157-L159 PolarHBondContact O-N 2.83Å; L157-Q160 PolarHBondContact O-N 2.97Å; L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.34Å; L157-I161 PolarHBondContact O-N 3.07Å; L157-L185 HydrophobicContact CD2-CD1 4.01Å; L157-L191 HydrophobicContact CB-CD1 4.45Å; L157-L191 HydrophobicContact CD2-CB 4.36Å; L157-L191 HydrophobicContact CD2-CD1 3.82Å; L157-L246 HydrophobicContact CB-CD1 4.1Å; L157-L246 HydrophobicContact CD1-CD1 4.15Å; L157-L246 HydrophobicContact CD1-CD2 4.02Å; L157-M349 HydrophobicContact CD1-CE 3.92Å; L157-M349 HydrophobicContact CD2-CE 3.75Å; L157-M349 HydrophobicContact CG-CE 3.72Å |
| 158 | A | 98.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 5% | 0.05 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T154 K155 C156 I161 L162 L243 F337 | T154-A158 VanDerWaalsContact O-CB 3.28Å; T154-A158 WeakPolarHBondContact O-CB 3.3Å; T154-A158 PolarHBondContact O-N 3.06Å; K155-A158 PolarHBondContact O-N 3.42Å; C156-A158 PolarHBondContact O-N 3.4Å; A158-I161 PolarHBondContact O-N 3.48Å; A158-L162 WeakPolarHBondContact O-CB 3.43Å; A158-L162 VanDerWaalsContact O-CG 3.24Å; A158-L162 WeakPolarHBondContact O-CG 3.18Å; A158-L162 PolarHBondContact O-N 3.27Å; A158-L243 HydrophobicContact CB-CD1 4.03Å; A158-F337 HydrophobicContact CB-CE1 3.98Å; A158-F337 HydrophobicContact CB-CZ 4.13Å |
| 159 | L | 98.5 | Very high | 97.6 | Very high | 33 Ų | 33 | 23.8 Ų | 23.8 | 17% | 0.173 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 174.4 | -76.6 | 172.4 | 0 | 0 | 0 | 111.2 | K155 C156 L157 I161 L162 E163 L332 F337 P343 | K155-L159 WeakPolarHBondContact O-CB 3.43Å; K155-L159 WeakPolarHBondContact O-CG 3.39Å; K155-L159 PolarHBondContact O-N 2.88Å; C156-L159 PolarHBondContact O-N 3.46Å; L157-L159 PolarHBondContact O-N 2.83Å; L159-I161 VanDerWaalsContact C-N 3.35Å; L159-I161 PolarHBondContact O-N 2.95Å; L159-L162 PolarHBondContact O-N 3.14Å; L159-E163 WeakPolarHBondContact O-CB 3.4Å; L159-E163 WeakPolarHBondContact O-CG 3.32Å; L159-E163 PolarHBondContact O-N 3.37Å; L159-L332 HydrophobicContact CD2-CD2 3.71Å; L159-F337 HydrophobicContact CD1-CB 4.44Å; L159-F337 HydrophobicContact CD1-CD1 4.17Å; L159-F337 HydrophobicContact CD1-CG 4.42Å; L159-F337 HydrophobicContact CD2-CB 4.03Å; L159-F337 HydrophobicContact CD2-CD1 3.77Å; L159-F337 HydrophobicContact CD2-CD2 3.69Å; L159-F337 HydrophobicContact CD2-CE1 4.11Å; L159-F337 HydrophobicContact CD2-CE2 4.03Å; L159-F337 HydrophobicContact CD2-CG 3.55Å; L159-F337 HydrophobicContact CD2-CZ 4.23Å; L159-F337 HydrophobicContact CG-CD1 3.7Å; L159-F337 HydrophobicContact CG-CE1 3.96Å; L159-F337 HydrophobicContact CG-CG 4.01Å; L159-F337 HydrophobicContact CG-CZ 4.47Å; L159-P343 HydrophobicContact CD1-CB 3.73Å; L159-P343 HydrophobicContact CD1-CG 3.75Å |
| 160 | Q | 98.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -39 | 179.4 | -70.1 | -170.7 | 72.8 | 0 | 0 | 113 | N111 C156 L157 G164 G189 L191 | N111-Q160 WeakPolarHBondContact CB-O 3.24Å; N111-Q160 VanDerWaalsContact CG-O 3.32Å; N111-Q160 WeakPolarHBondContact ND2-CB 3.14Å; N111-Q160 PolarHBondContact ND2-OE1 3.01Å; N111-Q160 VanDerWaalsContact ND2-OE1 3.14Å; C156-Q160 WeakPolarHBondContact O-CG 3.18Å; C156-Q160 PolarHBondContact O-N 2.99Å; C156-Q160 VanDerWaalsContact O-N 3.15Å; L157-Q160 PolarHBondContact O-N 2.97Å; Q160-G164 PolarHBondContact O-N 3.41Å; Q160-G164 VanDerWaalsContact O-N 3.08Å; Q160-G189 PolarHBondContact NE2-O 3.25Å; Q160-L191 HydrophobicContact CB-CB 3.94Å; Q160-L191 HydrophobicContact CB-CD2 4.28Å |
| 161 | I | 98.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.3 | -49.5 | 173.6 | -65.7 | 161.4 | 0 | 0 | 0 | 110 | L157 A158 L159 E163 G164 L165 L178 L183 L191 A239 I242 | L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.34Å; L157-I161 PolarHBondContact O-N 3.07Å; A158-I161 PolarHBondContact O-N 3.48Å; L159-I161 VanDerWaalsContact C-N 3.35Å; L159-I161 PolarHBondContact O-N 2.95Å; I161-E163 PolarHBondContact O-N 2.9Å; I161-G164 PolarHBondContact O-N 2.81Å; I161-L165 HydrophobicContact CG2-CD1 4.16Å; I161-L165 HydrophobicContact CG2-CG 4.44Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.26Å; I161-L178 HydrophobicContact CG2-CD2 4.33Å; I161-L183 HydrophobicContact CD1-CD1 3.57Å; I161-L183 HydrophobicContact CG1-CD1 3.92Å; I161-L183 HydrophobicContact CG1-CD2 4.33Å; I161-L191 HydrophobicContact CB-CD2 4.5Å; I161-L191 HydrophobicContact CD1-CD1 4.03Å; I161-L191 HydrophobicContact CG1-CD1 3.66Å; I161-L191 HydrophobicContact CG1-CD2 3.62Å; I161-L191 HydrophobicContact CG1-CG 4.32Å; I161-A239 HydrophobicContact CG2-CB 4.13Å; I161-I242 HydrophobicContact CD1-CG2 3.77Å |
| 162 | L | 98.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.9 | -35.1 | -177.7 | -69.7 | 171.1 | 0 | 0 | 0 | 112.5 | A158 L159 L165 K166 M317 C331 L332 F337 | A158-L162 WeakPolarHBondContact O-CB 3.43Å; A158-L162 VanDerWaalsContact O-CG 3.24Å; A158-L162 WeakPolarHBondContact O-CG 3.18Å; A158-L162 PolarHBondContact O-N 3.27Å; L159-L162 PolarHBondContact O-N 3.14Å; L162-L165 PolarHBondContact O-N 2.91Å; L162-K166 VanDerWaalsContact O-CB 3.26Å; L162-K166 WeakPolarHBondContact O-CB 3.47Å; L162-K166 PolarHBondContact O-N 3.43Å; L162-M317 HydrophobicContact CD2-CE 4.23Å; L162-C331 HydrophobicContact CD1-CB 3.71Å; L162-C331 HydrophobicContact CD2-CB 3.7Å; L162-C331 HydrophobicContact CG-CB 4.32Å; L162-L332 HydrophobicContact CB-CD1 4.41Å; L162-L332 HydrophobicContact CB-CD2 3.6Å; L162-L332 HydrophobicContact CB-CG 3.77Å; L162-L332 HydrophobicContact CD1-CD2 4.41Å; L162-F337 HydrophobicContact CD1-CE2 3.82Å; L162-F337 HydrophobicContact CD1-CZ 3.79Å |
| 163 | E | 98.7 | Very high | 97.3 | Very high | 68 Ų | 68 | 34 Ų | 34 | 32% | 0.318 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 172 | -76.7 | 179.1 | 177.4 | 0 | 0 | 111.2 | R110 N111 L159 I161 K166 F167 L332 | R110-E163 IonicContact NH1-OE2 2.71Å; N111-E163 PolarHBondContact OD1-OE2 3.29Å; L159-E163 WeakPolarHBondContact O-CB 3.4Å; L159-E163 WeakPolarHBondContact O-CG 3.32Å; L159-E163 PolarHBondContact O-N 3.37Å; I161-E163 PolarHBondContact O-N 2.9Å; E163-K166 PolarHBondContact O-N 3.4Å; E163-F167 PolarHBondContact O-N 3.15Å; E163-L332 HydrophobicContact CG-CD1 4.29Å; E163-L332 HydrophobicContact CG-CD2 3.93Å |
| 164 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q160 I161 F167 L168 | Q160-G164 PolarHBondContact O-N 3.41Å; Q160-G164 VanDerWaalsContact O-N 3.08Å; I161-G164 PolarHBondContact O-N 2.81Å; G164-F167 PolarHBondContact O-N 3.47Å; G164-L168 WeakPolarHBondContact O-CG 3.48Å; G164-L168 PolarHBondContact O-N 3.02Å |
| 165 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 178.4 | -70 | -178.6 | 0 | 0 | 0 | 112.5 | I161 L162 F167 L168 H169 L178 I193 D235 I236 A239 A328 | I161-L165 HydrophobicContact CG2-CD1 4.16Å; I161-L165 HydrophobicContact CG2-CG 4.44Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.26Å; L162-L165 PolarHBondContact O-N 2.91Å; L165-F167 VanDerWaalsContact C-N 3.26Å; L165-F167 PolarHBondContact O-N 2.81Å; L165-L168 HydrophobicContact CD2-CD1 4.41Å; L165-L168 PolarHBondContact O-N 2.89Å; L165-H169 VanDerWaalsContact O-CB 3.28Å; L165-H169 WeakPolarHBondContact O-CB 3.49Å; L165-H169 PolarHBondContact O-CD2 3.27Å; L165-H169 PolarHBondContact O-N 2.94Å; L165-L178 HydrophobicContact CD1-CD2 3.96Å; L165-L178 HydrophobicContact CD2-CD2 4.34Å; L165-I193 HydrophobicContact CD2-CD1 4.05Å; L165-I193 HydrophobicContact CG-CD1 4.16Å; L165-D235 HydrophobicContact CD1-CB 4.22Å; L165-D235 HydrophobicContact CD2-CB 3.87Å; L165-I236 HydrophobicContact CD1-CD1 4.29Å; L165-A239 HydrophobicContact CD1-CB 3.84Å; L165-A328 HydrophobicContact CB-CB 3.98Å |
| 166 | K | 98.4 | Very high | 96.7 | Very high | 104 Ų | 104 | 35 Ų | 35 | 45% | 0.452 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.4 | -44.1 | 175.3 | 173.1 | 177.1 | 171.2 | -179.7 | 0 | 111 | L162 E163 K170 A328 A329 L332 | L162-K166 VanDerWaalsContact O-CB 3.26Å; L162-K166 WeakPolarHBondContact O-CB 3.47Å; L162-K166 PolarHBondContact O-N 3.43Å; E163-K166 PolarHBondContact O-N 3.4Å; K166-K170 WeakPolarHBondContact O-CB 3.24Å; K166-K170 PolarHBondContact O-N 2.9Å; K166-A328 HydrophobicContact CB-CB 3.88Å; K166-A329 HydrophobicContact CD-CB 4.22Å; K166-L332 HydrophobicContact CB-CD1 4.06Å; K166-L332 HydrophobicContact CD-CD1 3.5Å; K166-L332 VanDerWaalsContact CD-CD1 3.5Å; K166-L332 HydrophobicContact CG-CD1 4.42Å |
| 167 | F | 98.4 | Very high | 96.4 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 19% | 0.189 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -49.8 | 176.6 | 170.2 | -93.3 | 0 | 0 | 0 | 111.7 | I107 H109 I112 E163 G164 L165 H169 K170 Q171 | I107-F167 HydrophobicContact CB-CE1 3.9Å; I107-F167 HydrophobicContact CB-CZ 4.18Å; I107-F167 HydrophobicContact CG2-CE1 4.23Å; I107-F167 HydrophobicContact CG2-CZ 4.48Å; H109-F167 HydrophobicContact CB-CD1 3.6Å; H109-F167 HydrophobicContact CB-CD2 4.18Å; H109-F167 HydrophobicContact CB-CE1 3.79Å; H109-F167 HydrophobicContact CB-CE2 4.33Å; H109-F167 HydrophobicContact CB-CG 3.82Å; H109-F167 HydrophobicContact CB-CZ 4.15Å; H109-F167 AromaticContact CD2-CD2 3.89Å; H109-F167 AromaticContact CD2-CG 3.77Å; H109-F167 AromaticContact CG-CD1 3.99Å; H109-F167 AromaticContact CG-CG 3.78Å; I112-F167 HydrophobicContact CG1-CD1 4.13Å; E163-F167 PolarHBondContact O-N 3.15Å; G164-F167 PolarHBondContact O-N 3.47Å; L165-F167 VanDerWaalsContact C-N 3.26Å; L165-F167 PolarHBondContact O-N 2.81Å; F167-H169 PolarHBondContact O-N 2.62Å; F167-K170 PolarHBondContact O-N 2.63Å; F167-Q171 HydrophobicContact CE1-CG 4.38Å; F167-Q171 HydrophobicContact CE2-CG 4.3Å; F167-Q171 HydrophobicContact CZ-CG 4.08Å; F167-Q171 PolarHBondContact O-N 2.89Å |
| 168 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 178.4 | -69.7 | 177.4 | 0 | 0 | 0 | 112 | I107 I112 G164 L165 K170 Q171 F172 I173 F196 | I107-L168 HydrophobicContact CD1-CD2 3.85Å; I112-L168 HydrophobicContact CD1-CD1 3.75Å; I112-L168 HydrophobicContact CD1-CD2 3.94Å; I112-L168 HydrophobicContact CD1-CG 3.69Å; I112-L168 HydrophobicContact CG1-CD2 4.39Å; G164-L168 WeakPolarHBondContact O-CG 3.48Å; G164-L168 PolarHBondContact O-N 3.02Å; L165-L168 HydrophobicContact CD2-CD1 4.41Å; L165-L168 PolarHBondContact O-N 2.89Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 3.39Å; L168-Q171 CarbonylContact O-C 3.4Å; L168-Q171 WeakPolarHBondContact O-CA 3.45Å; L168-Q171 PolarHBondContact O-N 3.21Å; L168-F172 PolarHBondContact O-N 3.45Å; L168-I173 CarbonylContact C-O 3.49Å; L168-I173 HydrophobicContact CB-CB 4.31Å; L168-I173 HydrophobicContact CD2-CB 4.34Å; L168-I173 HydrophobicContact CD2-CD1 4.39Å; L168-I173 HydrophobicContact CD2-CG2 4.23Å; L168-I173 PolarHBondContact O-N 3.08Å; L168-F196 HydrophobicContact CD1-CE1 3.76Å; L168-F196 HydrophobicContact CD1-CZ 3.97Å; L168-F196 HydrophobicContact CD2-CE1 3.64Å; L168-F196 HydrophobicContact CD2-CZ 4.06Å; L168-F196 HydrophobicContact CG-CE1 4.36Å |
| 169 | H | 96.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 36 Ų | 36 | 13% | 0.13 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.5 | -34.3 | -178.3 | -65 | 177.1 | 0 | 0 | 0 | 111.6 | L165 F167 Q171 F172 I173 T232 D235 | L165-H169 VanDerWaalsContact O-CB 3.28Å; L165-H169 WeakPolarHBondContact O-CB 3.49Å; L165-H169 PolarHBondContact O-CD2 3.27Å; L165-H169 PolarHBondContact O-N 2.94Å; F167-H169 PolarHBondContact O-N 2.62Å; H169-Q171 VanDerWaalsContact C-N 3.29Å; H169-Q171 PolarHBondContact O-N 3.4Å; H169-F172 PolarHBondContact O-N 2.7Å; H169-I173 PolarHBondContact CD2-O 3.4Å; H169-T232 HydrophobicContact CB-CG2 3.85Å; H169-T232 PolarHBondContact CE1-O 3.46Å; H169-D235 IonicContact CD2-OD2 2.96Å; H169-D235 IonicContact CE1-OD2 2.79Å; H169-D235 IonicContact NE2-OD2 3.95Å; H169-D235 PolarHBondContact NE2-OD2 2.94Å |
| 170 | K | 95.8 | Very high | 95.9 | Very high | 159 Ų | 159 | 34.5 Ų | 34.5 | 69% | 0.691 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -65.9 | -30.6 | 172.1 | -173.9 | 177.9 | -179.8 | -177.6 | 0 | 112.7 | K166 F167 L168 F172 | K166-K170 WeakPolarHBondContact O-CB 3.24Å; K166-K170 PolarHBondContact O-N 2.9Å; F167-K170 PolarHBondContact O-N 2.63Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 3.39Å; K170-F172 PolarHBondContact O-N 3.27Å |
| 171 | Q | 94.4 | Very high | 95.6 | Very high | 84 Ų | 84 | 37 Ų | 37 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 12.1 | 172.7 | -61 | -56.5 | -48.5 | 0 | 0 | 112.7 | F167 L168 H169 I173 | F167-Q171 HydrophobicContact CE1-CG 4.38Å; F167-Q171 HydrophobicContact CE2-CG 4.3Å; F167-Q171 HydrophobicContact CZ-CG 4.08Å; F167-Q171 PolarHBondContact O-N 2.89Å; L168-Q171 CarbonylContact O-C 3.4Å; L168-Q171 WeakPolarHBondContact O-CA 3.45Å; L168-Q171 PolarHBondContact O-N 3.21Å; H169-Q171 VanDerWaalsContact C-N 3.29Å; H169-Q171 PolarHBondContact O-N 3.4Å; Q171-I173 HydrophobicContact CB-CD1 4.01Å; Q171-I173 HydrophobicContact CB-CG1 4.21Å; Q171-I173 PolarHBondContact O-N 3.08Å |
| 172 | F | 93 | Very high | 95.4 | Very high | 137 Ų | 137 | 37.3 Ų | 37.3 | 60% | 0.601 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 25.7 | -175.8 | -52.6 | -85 | 0 | 0 | 0 | 113.6 | L168 H169 K170 Y201 F202 | L168-F172 PolarHBondContact O-N 3.45Å; H169-F172 PolarHBondContact O-N 2.7Å; K170-F172 PolarHBondContact O-N 3.27Å; F172-Y201 CarbonylContact O-C 3.53Å; F172-Y201 WeakPolarHBondContact O-CA 2.94Å; F172-F202 HydrophobicContact CB-CB 4.37Å; F172-F202 PolarHBondContact O-N 3.39Å |
| 173 | I | 93.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.4 | 179.9 | -60 | 169.2 | 0 | 0 | 0 | 109.2 | I103 I107 L168 H169 Q171 A199 Y201 | I103-I173 HydrophobicContact CG2-CD1 4.06Å; I103-I173 HydrophobicContact CG2-CG2 4.48Å; I107-I173 HydrophobicContact CG2-CD1 3.61Å; L168-I173 CarbonylContact C-O 3.49Å; L168-I173 HydrophobicContact CB-CB 4.31Å; L168-I173 HydrophobicContact CD2-CB 4.34Å; L168-I173 HydrophobicContact CD2-CD1 4.39Å; L168-I173 HydrophobicContact CD2-CG2 4.23Å; L168-I173 PolarHBondContact O-N 3.08Å; H169-I173 PolarHBondContact CD2-O 3.4Å; Q171-I173 HydrophobicContact CB-CD1 4.01Å; Q171-I173 HydrophobicContact CB-CG1 4.21Å; Q171-I173 PolarHBondContact O-N 3.08Å; I173-A199 HydrophobicContact CG2-CB 4.25Å; I173-Y201 HydrophobicContact CD1-CE1 4.16Å; I173-Y201 HydrophobicContact CG1-CD1 3.9Å; I173-Y201 HydrophobicContact CG1-CE1 3.7Å |
| 174 | V | 93.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.4 | 170.3 | -166.4 | 0 | 0 | 0 | 0 | 108.5 | R176 A199 R200 F202 T232 I234 D235 | V174-R176 HydrophobicContact CB-CG 4.13Å; V174-R176 HydrophobicContact CG1-CG 3.88Å; V174-A199 VanDerWaalsContact O-CA 3.24Å; V174-A199 WeakPolarHBondContact O-CA 3.39Å; V174-R200 PolarHBondContact N-O 3.08Å; V174-R200 PolarHBondContact O-N 3.03Å; V174-F202 HydrophobicContact CG2-CB 4.21Å; V174-F202 HydrophobicContact CG2-CD2 4.32Å; V174-T232 HydrophobicContact CG2-CG2 3.95Å; V174-I234 HydrophobicContact CG1-CD1 3.68Å; V174-I234 HydrophobicContact CG1-CG1 3.76Å; V174-D235 WeakPolarHBondContact CG1-OD2 3.29Å |
| 175 | H | 93.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -73.1 | -47 | -175.2 | -171.5 | -89.9 | 0 | 0 | 0 | 112 | D177 L178 A194 D195 F196 D235 | H175-D177 PolarHBondContact CE1-O 3.31Å; H175-D177 VanDerWaalsContact CE1-O 3.28Å; H175-D177 PolarHBondContact ND1-N 3.33Å; H175-D177 PolarHBondContact ND1-O 2.9Å; H175-D177 PolarHBondContact O-N 2.88Å; H175-D177 VanDerWaalsContact O-N 3.07Å; H175-L178 PolarHBondContact ND1-N 2.72Å; H175-A194 PolarHBondContact CE1-O 3.22Å; H175-A194 PolarHBondContact NE2-O 3.02Å; H175-D195 PolarHBondContact CE1-O 2.96Å; H175-D195 PolarHBondContact NE2-O 2.89Å; H175-F196 AromaticContact CD2-CE1 3.79Å; H175-F196 AromaticContact CD2-CZ 3.93Å; H175-D235 PolarHBondContact N-OD1 3.06Å; H175-D235 PolarHBondContact N-OD2 3.32Å | ||
| 176 | R | 92 | Very high | 94.5 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 18% | 0.177 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 66.1 | -7.9 | 176.6 | -33 | -164.8 | -54.6 | 152.9 | 14 | 117.4 | V174 L198 I234 D235 | V174-R176 HydrophobicContact CB-CG 4.13Å; V174-R176 HydrophobicContact CG1-CG 3.88Å; R176-L198 VanDerWaalsContact CZ-O 3.23Å; R176-L198 PolarHBondContact NE-O 2.98Å; R176-L198 PolarHBondContact NH2-O 2.9Å; R176-L198 VanDerWaalsContact NH2-O 3.13Å; R176-I234 HydrophobicContact CB-CD1 4.01Å; R176-I234 HydrophobicContact CG-CD1 3.91Å; R176-D235 PolarHBondContact N-OD1 3.13Å |
| 177 | D | 91.2 | Very high | 94 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | trans | -132.7 | 41.7 | 175.5 | -161.1 | 11.6 | 0 | 0 | 0 | 111.4 | Y64 H175 K179 N182 L198 V214 | Y64-D177 PolarHBondContact OH-OD2 3.25Å; H175-D177 PolarHBondContact CE1-O 3.31Å; H175-D177 VanDerWaalsContact CE1-O 3.28Å; H175-D177 PolarHBondContact ND1-N 3.33Å; H175-D177 PolarHBondContact ND1-O 2.9Å; H175-D177 PolarHBondContact O-N 2.88Å; H175-D177 VanDerWaalsContact O-N 3.07Å; D177-K179 PolarHBondContact O-N 3Å; D177-K179 IonicContact OD1-NZ 2.76Å; D177-K179 PolarHBondContact OD1-NZ 3.46Å; D177-K179 IonicContact OD2-NZ 3.47Å; D177-K179 PolarHBondContact OD2-NZ 3.41Å; D177-N182 PolarHBondContact O-ND2 3.37Å; D177-L198 HydrophobicContact CB-CB 4.29Å; D177-L198 HydrophobicContact CB-CD1 3.97Å; D177-L198 HydrophobicContact CB-CG 4.49Å; D177-V214 WeakPolarHBondContact OD1-CG1 3.48Å | ||
| 178 | L | 95.2 | Very high | 93.6 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | trans | -75.2 | 122.4 | 178.8 | -164.5 | 76.3 | 0 | 0 | 0 | 109.4 | I161 L165 H175 L183 I193 Y218 A238 A239 I242 | I161-L178 HydrophobicContact CG2-CD2 4.33Å; L165-L178 HydrophobicContact CD1-CD2 3.96Å; L165-L178 HydrophobicContact CD2-CD2 4.34Å; H175-L178 PolarHBondContact ND1-N 2.72Å; L178-L183 HydrophobicContact CD1-CD2 3.93Å; L178-I193 HydrophobicContact CD1-CD1 4.39Å; L178-I193 HydrophobicContact CD1-CG1 4.41Å; L178-I193 HydrophobicContact CD1-CG2 3.89Å; L178-Y218 WeakPolarHBondContact O-CB 3.43Å; L178-A238 HydrophobicContact CB-CB 3.82Å; L178-A238 HydrophobicContact CD2-CB 4.13Å; L178-A238 HydrophobicContact CG-CB 4.45Å; L178-A239 HydrophobicContact CD2-CB 3.99Å; L178-I242 HydrophobicContact CD2-CD1 4.04Å; L178-I242 HydrophobicContact CG-CD1 3.84Å | ||
| 179 | K | 94.4 | Very high | 93.3 | Very high | 17 Ų | 17 | 38.5 Ų | 38.5 | 7% | 0.074 | 19% | 0.189 | C | C | . | . | trans | -159.9 | 164.6 | -178.7 | 59.6 | -173.7 | 176.5 | -133.5 | 0 | 110.1 | D177 S181 N182 L183 Y218 | D177-K179 PolarHBondContact O-N 3Å; D177-K179 IonicContact OD1-NZ 2.76Å; D177-K179 PolarHBondContact OD1-NZ 3.46Å; D177-K179 IonicContact OD2-NZ 3.47Å; D177-K179 PolarHBondContact OD2-NZ 3.41Å; K179-S181 VanDerWaalsContact C-N 3.28Å; K179-S181 WeakPolarHBondContact CE-OG 3.34Å; K179-S181 PolarHBondContact O-N 3.29Å; K179-N182 VanDerWaalsContact CE-ND2 3.34Å; K179-N182 WeakPolarHBondContact CE-ND2 3.4Å; K179-N182 HydrophobicContact CG-CB 3.96Å; K179-N182 PolarHBondContact O-N 2.88Å; K179-L183 PolarHBondContact O-N 2.85Å; K179-Y218 HydrophobicContact CB-CD2 3.4Å; K179-Y218 HydrophobicContact CB-CE2 3.43Å; K179-Y218 VanDerWaalsContact CB-CE2 3.43Å; K179-Y218 HydrophobicContact CB-CG 4.1Å | ||
| 180 | M | 94.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -54.7 | -39.4 | -176.9 | -68.5 | -62.9 | -83.4 | 0 | 0 | 113.8 | L138 A139 M142 N182 L183 Y218 I242 E245 L246 | L138-M180 HydrophobicContact CB-CE 3.76Å; L138-M180 HydrophobicContact CB-SD 4.25Å; L138-M180 HydrophobicContact CD1-CE 4.31Å; L138-M180 HydrophobicContact CD1-SD 4.37Å; L138-M180 PolarHBondContact N-O 3.02Å; A139-M180 HydrophobicContact CB-CB 3.8Å; A139-M180 PolarHBondContact N-O 3.24Å; M142-M180 HydrophobicContact CE-CE 4.45Å; M142-M180 HydrophobicContact CG-CE 3.46Å; M142-M180 VanDerWaalsContact CG-CE 3.46Å; M142-M180 HydrophobicContact SD-CE 4.32Å; M180-N182 PolarHBondContact O-N 3.39Å; M180-L183 PolarHBondContact O-N 3.37Å; M180-Y218 HydrophobicContact CG-CE1 4.36Å; M180-Y218 VanDerWaalsContact CG-OH 3.29Å; M180-Y218 WeakPolarHBondContact CG-OH 3.39Å; M180-I242 HydrophobicContact CG-CG1 4.43Å; M180-I242 HydrophobicContact SD-CB 4.26Å; M180-I242 HydrophobicContact SD-CG1 4.09Å; M180-I242 HydrophobicContact SD-CG2 3.6Å; M180-I242 VanDerWaalsContact SD-CG2 3.6Å; M180-E245 HydrophobicContact CG-CG 4.49Å; M180-L246 HydrophobicContact CE-CD2 3.79Å; M180-L246 HydrophobicContact CE-CG 4.29Å |
| 181 | S | 92.2 | Very high | 93.3 | Very high | 54 Ų | 54 | 30 Ų | 30 | 38% | 0.378 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -73.4 | -12.8 | 179 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | K179 | K179-S181 VanDerWaalsContact C-N 3.28Å; K179-S181 WeakPolarHBondContact CE-OG 3.34Å; K179-S181 PolarHBondContact O-N 3.29Å |
| 182 | N | 94.8 | Very high | 93.5 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 6% | 0.064 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -99.6 | 5.6 | 175.5 | -74.5 | -0.1 | 0 | 0 | 0 | 112.2 | D177 K179 M180 A194 D195 | D177-N182 PolarHBondContact O-ND2 3.37Å; K179-N182 VanDerWaalsContact CE-ND2 3.34Å; K179-N182 WeakPolarHBondContact CE-ND2 3.4Å; K179-N182 HydrophobicContact CG-CB 3.96Å; K179-N182 PolarHBondContact O-N 2.88Å; M180-N182 PolarHBondContact O-N 3.39Å; N182-A194 PolarHBondContact O-N 3.46Å; N182-D195 HydrophobicContact CB-CB 4.43Å; N182-D195 PolarHBondContact OD1-OD2 2.86Å |
| 183 | L | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 114.4 | 171.8 | -62.7 | -177.6 | 0 | 0 | 0 | 108.6 | D137 L138 I161 L178 K179 M180 L191 I193 I242 | D137-L183 CarbonylContact C-O 3.49Å; D137-L183 WeakPolarHBondContact CA-O 3.46Å; L138-L183 HydrophobicContact CB-CB 4.24Å; L138-L183 HydrophobicContact CD1-CB 3.77Å; L138-L183 HydrophobicContact CD1-CD1 3.82Å; L138-L183 HydrophobicContact CD1-CG 4.48Å; L138-L183 HydrophobicContact CG-CB 3.93Å; L138-L183 PolarHBondContact N-O 3.3Å; I161-L183 HydrophobicContact CD1-CD1 3.57Å; I161-L183 HydrophobicContact CG1-CD1 3.92Å; I161-L183 HydrophobicContact CG1-CD2 4.33Å; L178-L183 HydrophobicContact CD1-CD2 3.93Å; K179-L183 PolarHBondContact O-N 2.85Å; M180-L183 PolarHBondContact O-N 3.37Å; L183-L191 HydrophobicContact CB-CD1 4.4Å; L183-L191 HydrophobicContact CD1-CD1 4.4Å; L183-L191 HydrophobicContact CD2-CD2 4.25Å; L183-I193 HydrophobicContact CD2-CB 4.43Å; L183-I193 HydrophobicContact CD2-CG1 3.85Å; L183-I242 HydrophobicContact CD1-CD1 3.82Å; L183-I242 HydrophobicContact CD1-CG2 3.87Å |
| 184 | L | 95.4 | Very high | 93.7 | Very high | 39 Ų | 39 | 20.8 Ų | 20.8 | 20% | 0.204 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 147.4 | -179.9 | -53.5 | -177 | 0 | 0 | 0 | 110 | I113 C134 Q136 D137 L191 K192 A194 | I113-L184 HydrophobicContact CD1-CD1 3.97Å; C134-L184 HydrophobicContact CB-CB 3.59Å; C134-L184 HydrophobicContact CB-CD1 4.11Å; C134-L184 HydrophobicContact CB-CG 4.42Å; Q136-L184 CarbonylContact O-C 3.6Å; Q136-L184 WeakPolarHBondContact O-CA 3.3Å; D137-L184 HydrophobicContact CB-CD2 3.73Å; L184-L191 CarbonylContact O-C 3.6Å; L184-L191 VanDerWaalsContact O-CA 3.28Å; L184-L191 WeakPolarHBondContact O-CA 3.17Å; L184-K192 HydrophobicContact CB-CB 4.49Å; L184-K192 PolarHBondContact N-O 3.16Å; L184-K192 PolarHBondContact O-N 3.46Å; L184-A194 HydrophobicContact CD1-CB 3.65Å; L184-A194 HydrophobicContact CG-CB 3.84Å |
| 185 | L | 93.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 5% | 0.052 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129 | 177.9 | -167.9 | 68.6 | 0 | 0 | 0 | 109.3 | E135 Q136 L138 L141 L157 L191 | E135-L185 PolarHBondContact N-O 2.98Å; Q136-L185 PolarHBondContact N-O 3.16Å; Q136-L185 PolarHBondContact O-N 3.36Å; L138-L185 HydrophobicContact CD2-CB 4.31Å; L138-L185 HydrophobicContact CD2-CD2 4.37Å; L141-L185 HydrophobicContact CD2-CD2 3.8Å; L157-L185 HydrophobicContact CD2-CD1 4.01Å; L185-L191 HydrophobicContact CD1-CB 4.21Å |
| 186 | T | 91.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 21.6 Ų | 21.6 | 9% | 0.092 | 12% | 0.118 | C | C | . | . | trans | -83.9 | 161.2 | 172.9 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | C134 E135 D188 G189 C190 K192 | C134-T186 HydrophobicContact CB-CG2 4.42Å; E135-T186 WeakPolarHBondContact OE2-CA 3.26Å; T186-D188 WeakPolarHBondContact CB-OD1 3.31Å; T186-D188 PolarHBondContact O-N 3.37Å; T186-D188 PolarHBondContact OG1-OD1 3.01Å; T186-G189 PolarHBondContact O-N 3.29Å; T186-C190 HydrophobicContact CG2-CB 4.48Å; T186-C190 PolarHBondContact N-O 3.23Å; T186-C190 WeakPolarHBondContact OG1-CA 3.37Å; T186-C190 VanDerWaalsContact OG1-CB 3.23Å; T186-C190 WeakPolarHBondContact OG1-CB 3.41Å; T186-C190 PolarHBondContact OG1-N 3.45Å; T186-C190 PolarHBondContact OG1-O 3.14Å; T186-K192 HydrophobicContact CG2-CD 4.03Å | ||
| 187 | N | 87.3 | Confident | 93.1 | Very high | 76 Ų | 76 | 19.5 Ų | 19.5 | 41% | 0.406 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.4 | 177.9 | -86.7 | -24.2 | 0 | 0 | 0 | 114.5 | E135 G189 | E135-N187 HydrophobicContact CG-CB 4.45Å; E135-N187 VanDerWaalsContact CG-CG 3.42Å; E135-N187 WeakPolarHBondContact CG-ND2 3.15Å; E135-N187 VanDerWaalsContact CG-OD1 3.26Å; E135-N187 WeakPolarHBondContact CG-OD1 3.47Å; E135-N187 VanDerWaalsContact OE1-CG 3.24Å; E135-N187 PolarHBondContact OE1-ND2 2.83Å; E135-N187 PolarHBondContact OE2-N 2.85Å; N187-G189 VanDerWaalsContact C-N 3.3Å |
| 188 | D | 88.8 | Confident | 92.8 | Very high | 101 Ų | 101 | 20.7 Ų | 20.7 | 54% | 0.54 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 4.6 | 176.7 | 62.7 | -36.3 | 0 | 0 | 0 | 113.4 | T186 E346 | T186-D188 WeakPolarHBondContact CB-OD1 3.31Å; T186-D188 PolarHBondContact O-N 3.37Å; T186-D188 PolarHBondContact OG1-OD1 3.01Å; D188-E346 CarbonylContact O-C 3.57Å |
| 189 | G | 91.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 86.5 | 10.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q160 T186 N187 L191 | Q160-G189 PolarHBondContact NE2-O 3.25Å; T186-G189 PolarHBondContact O-N 3.29Å; N187-G189 VanDerWaalsContact C-N 3.3Å; G189-L191 PolarHBondContact O-N 2.8Å |
| 190 | C | 95.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 7% | 0.068 | 12% | 0.119 | C | C | . | . | trans | -80.2 | 118.6 | 174.7 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | T186 | T186-C190 HydrophobicContact CG2-CB 4.48Å; T186-C190 PolarHBondContact N-O 3.23Å; T186-C190 WeakPolarHBondContact OG1-CA 3.37Å; T186-C190 VanDerWaalsContact OG1-CB 3.23Å; T186-C190 WeakPolarHBondContact OG1-CB 3.41Å; T186-C190 PolarHBondContact OG1-N 3.45Å; T186-C190 PolarHBondContact OG1-O 3.14Å | ||
| 191 | L | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 137.1 | 173.8 | 176.8 | 149.7 | 0 | 0 | 0 | 110.4 | N111 L138 L157 Q160 I161 L183 L184 L185 G189 I193 | N111-L191 WeakPolarHBondContact CA-O 3.2Å; N111-L191 WeakPolarHBondContact CB-O 3.48Å; N111-L191 PolarHBondContact ND2-O 3.34Å; L138-L191 HydrophobicContact CD1-CD1 3.76Å; L157-L191 HydrophobicContact CB-CD1 4.45Å; L157-L191 HydrophobicContact CD2-CB 4.36Å; L157-L191 HydrophobicContact CD2-CD1 3.82Å; Q160-L191 HydrophobicContact CB-CB 3.94Å; Q160-L191 HydrophobicContact CB-CD2 4.28Å; I161-L191 HydrophobicContact CB-CD2 4.5Å; I161-L191 HydrophobicContact CD1-CD1 4.03Å; I161-L191 HydrophobicContact CG1-CD1 3.66Å; I161-L191 HydrophobicContact CG1-CD2 3.62Å; I161-L191 HydrophobicContact CG1-CG 4.32Å; L183-L191 HydrophobicContact CB-CD1 4.4Å; L183-L191 HydrophobicContact CD1-CD1 4.4Å; L183-L191 HydrophobicContact CD2-CD2 4.25Å; L184-L191 CarbonylContact O-C 3.6Å; L184-L191 VanDerWaalsContact O-CA 3.28Å; L184-L191 WeakPolarHBondContact O-CA 3.17Å; L185-L191 HydrophobicContact CD1-CB 4.21Å; G189-L191 PolarHBondContact O-N 2.8Å; L191-I193 HydrophobicContact CD2-CG1 4.47Å |
| 192 | K | 97.7 | Very high | 90.7 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 8% | 0.078 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 125.3 | 179.3 | -72.3 | 167.8 | 179.1 | -69.1 | 0 | 111.2 | R110 N111 I113 E132 C134 L184 T186 | R110-K192 WeakPolarHBondContact O-CG 3.41Å; R110-K192 PolarHBondContact O-NZ 3.25Å; N111-K192 WeakPolarHBondContact O-CA 3.42Å; I113-K192 HydrophobicContact CD1-CD 4.29Å; E132-K192 HydrophobicContact CG-CD 4.39Å; E132-K192 WeakPolarHBondContact OE1-CD 3.31Å; E132-K192 WeakPolarHBondContact OE1-CE 3.5Å; E132-K192 IonicContact OE1-NZ 2.82Å; E132-K192 PolarHBondContact OE1-NZ 3.27Å; E132-K192 WeakPolarHBondContact OE2-CE 3.43Å; E132-K192 IonicContact OE2-NZ 3.56Å; E132-K192 PolarHBondContact OE2-NZ 3.34Å; C134-K192 VanDerWaalsContact SG-CD 3.59Å; L184-K192 HydrophobicContact CB-CB 4.49Å; L184-K192 PolarHBondContact N-O 3.16Å; L184-K192 PolarHBondContact O-N 3.46Å; T186-K192 HydrophobicContact CG2-CD 4.03Å |
| 193 | I | 98.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 130.3 | 170.8 | -56.3 | 173.2 | 0 | 0 | 0 | 108.4 | N111 I112 I113 L165 L178 L183 L191 F196 | N111-I193 PolarHBondContact O-N 3.31Å; I112-I193 HydrophobicContact CD1-CB 3.98Å; I112-I193 HydrophobicContact CD1-CD1 4.01Å; I112-I193 HydrophobicContact CD1-CG1 4.34Å; I113-I193 PolarHBondContact N-O 3.15Å; L165-I193 HydrophobicContact CD2-CD1 4.05Å; L165-I193 HydrophobicContact CG-CD1 4.16Å; L178-I193 HydrophobicContact CD1-CD1 4.39Å; L178-I193 HydrophobicContact CD1-CG1 4.41Å; L178-I193 HydrophobicContact CD1-CG2 3.89Å; L183-I193 HydrophobicContact CD2-CB 4.43Å; L183-I193 HydrophobicContact CD2-CG1 3.85Å; L191-I193 HydrophobicContact CD2-CG1 4.47Å; I193-F196 HydrophobicContact CG2-CE2 4.47Å; I193-F196 HydrophobicContact CG2-CZ 4.26Å |
| 194 | A | 94.5 | Very high | 87.4 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | trans | -128.9 | 171.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | I113 H175 N182 L184 | I113-A194 HydrophobicContact CB-CB 4.1Å; I113-A194 HydrophobicContact CG2-CB 4Å; H175-A194 PolarHBondContact CE1-O 3.22Å; H175-A194 PolarHBondContact NE2-O 3.02Å; N182-A194 PolarHBondContact O-N 3.46Å; L184-A194 HydrophobicContact CD1-CB 3.65Å; L184-A194 HydrophobicContact CG-CB 3.84Å | ||
| 195 | D | 89.8 | Confident | 85.5 | Confident | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | trans | 68.3 | 74.2 | 175.6 | -160.9 | 18.9 | 0 | 0 | 0 | 115.6 | Y64 K82 H175 N182 G197 | Y64-D195 VanDerWaalsContact CD2-OD1 3.28Å; Y64-D195 WeakPolarHBondContact CD2-OD1 3.42Å; Y64-D195 WeakPolarHBondContact CD2-OD2 3.33Å; Y64-D195 WeakPolarHBondContact CE2-OD2 3.24Å; K82-D195 IonicContact NZ-OD1 3.65Å; K82-D195 PolarHBondContact NZ-OD1 2.77Å; H175-D195 PolarHBondContact CE1-O 2.96Å; H175-D195 PolarHBondContact NE2-O 2.89Å; N182-D195 HydrophobicContact CB-CB 4.43Å; N182-D195 PolarHBondContact OD1-OD2 2.86Å; D195-G197 PolarHBondContact O-N 2.78Å | ||
| 196 | F | 90.6 | Very high | 83.6 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -87.5 | 16.2 | -178.8 | -71.9 | -101.9 | 0 | 0 | 0 | 113 | E100 I103 L104 I107 I112 I113 L168 H175 I193 L198 A199 | E100-F196 HydrophobicContact CG-CB 4.1Å; I103-F196 HydrophobicContact CG2-CB 4.46Å; I103-F196 HydrophobicContact CG2-CD1 3.79Å; I103-F196 HydrophobicContact CG2-CE1 4.43Å; I103-F196 HydrophobicContact CG2-CG 4.32Å; L104-F196 HydrophobicContact CD2-CD2 3.69Å; L104-F196 HydrophobicContact CD2-CE2 4.03Å; L104-F196 HydrophobicContact CD2-CG 4.2Å; L104-F196 HydrophobicContact CG-CD2 4.39Å; I107-F196 HydrophobicContact CD1-CE1 4.11Å; I107-F196 HydrophobicContact CD1-CZ 4.29Å; I112-F196 HydrophobicContact CD1-CZ 4.23Å; I112-F196 HydrophobicContact CG2-CE2 3.89Å; I112-F196 HydrophobicContact CG2-CZ 3.65Å; I113-F196 HydrophobicContact CG2-CD2 4.45Å; I113-F196 HydrophobicContact CG2-CE2 4.21Å; L168-F196 HydrophobicContact CD1-CE1 3.76Å; L168-F196 HydrophobicContact CD1-CZ 3.97Å; L168-F196 HydrophobicContact CD2-CE1 3.64Å; L168-F196 HydrophobicContact CD2-CZ 4.06Å; L168-F196 HydrophobicContact CG-CE1 4.36Å; H175-F196 AromaticContact CD2-CE1 3.79Å; H175-F196 AromaticContact CD2-CZ 3.93Å; I193-F196 HydrophobicContact CG2-CE2 4.47Å; I193-F196 HydrophobicContact CG2-CZ 4.26Å; F196-L198 PolarHBondContact O-N 2.84Å; F196-L198 VanDerWaalsContact O-N 3.15Å; F196-A199 HydrophobicContact CB-CB 3.91Å; F196-A199 HydrophobicContact CD1-CB 3.67Å; F196-A199 HydrophobicContact CG-CB 4.25Å; F196-A199 WeakPolarHBondContact O-CB 3.31Å; F196-A199 PolarHBondContact O-N 3.38Å |
| 197 | G | 85.1 | Confident | 81.5 | Confident | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -60.3 | -26.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | D195 | D195-G197 PolarHBondContact O-N 2.78Š|
| 198 | L | 85.4 | Confident | 79.5 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -101.7 | -4.7 | 173.2 | -66.1 | -175.6 | 0 | 0 | 0 | 113.9 | Y64 R176 D177 F196 | Y64-L198 HydrophobicContact CE1-CD2 4.37Å; Y64-L198 HydrophobicContact CE1-CG 4.33Å; Y64-L198 WeakPolarHBondContact OH-CD1 3.26Å; Y64-L198 WeakPolarHBondContact OH-CG 3.44Å; R176-L198 VanDerWaalsContact CZ-O 3.23Å; R176-L198 PolarHBondContact NE-O 2.98Å; R176-L198 PolarHBondContact NH2-O 2.9Å; R176-L198 VanDerWaalsContact NH2-O 3.13Å; D177-L198 HydrophobicContact CB-CB 4.29Å; D177-L198 HydrophobicContact CB-CD1 3.97Å; D177-L198 HydrophobicContact CB-CG 4.49Å; F196-L198 PolarHBondContact O-N 2.84Å; F196-L198 VanDerWaalsContact O-N 3.15Å |
| 199 | A | 87.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -64.6 | 148.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112 | R99 I103 I173 V174 F196 | R99-A199 WeakPolarHBondContact CD-O 3.5Å; I103-A199 HydrophobicContact CD1-CB 3.74Å; I173-A199 HydrophobicContact CG2-CB 4.25Å; V174-A199 VanDerWaalsContact O-CA 3.24Å; V174-A199 WeakPolarHBondContact O-CA 3.39Å; F196-A199 HydrophobicContact CB-CB 3.91Å; F196-A199 HydrophobicContact CD1-CB 3.67Å; F196-A199 HydrophobicContact CG-CB 4.25Å; F196-A199 WeakPolarHBondContact O-CB 3.31Å; F196-A199 PolarHBondContact O-N 3.38Å | ||
| 200 | R | 86.5 | Confident | 74.9 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 152.7 | 178.9 | -67.9 | -168.1 | 177.8 | -153.9 | -1.1 | 111.6 | V174 | V174-R200 PolarHBondContact N-O 3.08Å; V174-R200 PolarHBondContact O-N 3.03Å |
| 201 | Y | 83.4 | Confident | 72.3 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 136.9 | 165.5 | -65.9 | -77.2 | 0 | 0 | 0 | 110.4 | I103 F172 I173 | I103-Y201 HydrophobicContact CG1-CE2 4.31Å; F172-Y201 CarbonylContact O-C 3.53Å; F172-Y201 WeakPolarHBondContact O-CA 2.94Å; I173-Y201 HydrophobicContact CD1-CE1 4.16Å; I173-Y201 HydrophobicContact CG1-CD1 3.9Å; I173-Y201 HydrophobicContact CG1-CE1 3.7Å |
| 202 | F | 74.4 | Confident | 69.9 | Low | 105 Ų | 105 | 62.3 Ų | 62.3 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 146.5 | 177.8 | -177.4 | -111.3 | 0 | 0 | 0 | 110.5 | F172 V174 L230 S231 | F172-F202 HydrophobicContact CB-CB 4.37Å; F172-F202 PolarHBondContact O-N 3.39Å; V174-F202 HydrophobicContact CG2-CB 4.21Å; V174-F202 HydrophobicContact CG2-CD2 4.32Å; F202-L230 WeakPolarHBondContact CE2-O 3.35Å; F202-S231 VanDerWaalsContact CE2-CA 3.49Å |
| 203 | G | 63.6 | Low | 67.4 | Low | 64 Ų | 64 | 67.1 Ų | 67.1 | 66% | 0.66 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | -9.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P205 | G203-P205 WeakPolarHBondContact O-CD 3.05Š|
| 204 | I | 58.8 | Low | 65.7 | Low | 95 Ų | 95 | 68.6 Ų | 68.6 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -84.9 | 117.3 | 171.7 | -56.7 | 174.9 | 0 | 0 | 0 | 108.5 | T206 | I204-T206 PolarHBondContact O-N 3.39Š|
| 205 | P | 54.4 | Low | 64.7 | Low | 109 Ų | 109 | 71.1 Ų | 71.1 | 71% | 0.708 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 131.4 | 178.2 | -23.5 | 32.1 | 0 | 0 | 0 | 111.2 | G203 Q207 | G203-P205 WeakPolarHBondContact O-CD 3.05Å; P205-Q207 PolarHBondContact O-N 3.46Å |
| 206 | T | 52.9 | Low | 64.7 | Low | 38 Ų | 38 | 71.1 Ų | 71.1 | 23% | 0.233 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 120.2 | 171.6 | -6.5 | 0 | 0 | 0 | 0 | 108.5 | I204 Q208 L230 | I204-T206 PolarHBondContact O-N 3.39Å; T206-Q208 PolarHBondContact O-N 3.12Å; T206-L230 HydrophobicContact CG2-CD1 3.98Å |
| 207 | Q | 49.6 | Very low | 64.9 | Low | 157 Ų | 157 | 74.6 Ų | 74.6 | 73% | 0.734 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 129.3 | 164.6 | -82.2 | -177.1 | -32.1 | 0 | 0 | 107.9 | P205 G209 | P205-Q207 PolarHBondContact O-N 3.46Å; Q207-G209 PolarHBondContact O-N 2.93Å |
| 208 | Q | 43.4 | Very low | 65.4 | Low | 164 Ų | 164 | 75.4 Ų | 75.4 | 77% | 0.766 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -60 | 131.9 | 175.1 | -66.2 | -179.6 | -4.7 | 0 | 0 | 108.4 | T206 | T206-Q208 PolarHBondContact O-N 3.12Š|
| 209 | G | 41.6 | Very low | 65.8 | Low | 74 Ų | 74 | 75.7 Ų | 75.7 | 76% | 0.763 | 43% | 0.426 | S | S | * | . | trans | 104.4 | 36.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q207 | Q207-G209 PolarHBondContact O-N 2.93Š| ||
| 210 | T | 42.4 | Very low | 66.2 | Low | 84 Ų | 84 | 75.7 Ų | 75.7 | 52% | 0.515 | 43% | 0.426 | S | S | . | . | trans | -71.1 | 134.7 | 160.8 | 27.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 211 | P | 41.5 | Very low | 66.5 | Low | 93 Ų | 93 | 73.9 Ų | 73.9 | 60% | 0.604 | 42% | 0.42 | S | S | * | . | trans | -75 | 151 | -157.2 | -1.4 | 18.2 | 0 | 0 | 0 | 112.1 | V213 | P211-V213 HydrophobicContact CB-CG2 4.3Å; P211-V213 PolarHBondContact O-N 2.9Å | ||
| 212 | N | 46.5 | Very low | 67 | Low | 116 Ų | 116 | 70.1 Ų | 70.1 | 62% | 0.62 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -59.7 | 10.6 | -174.8 | -79.1 | -27.6 | 0 | 0 | 0 | 117.4 | V214 Q258 | N212-V214 PolarHBondContact O-N 3.39Å; N212-Q258 PolarHBondContact OD1-NE2 2.97Å |
| 213 | V | 46 | Very low | 67.8 | Low | 119 Ų | 119 | 67.6 Ų | 67.6 | 72% | 0.721 | 40% | 0.396 | S | S | * | . | trans | -97 | 26.3 | -167.2 | -151.5 | 0 | 0 | 0 | 0 | 113.4 | P211 | P211-V213 HydrophobicContact CB-CG2 4.3Å; P211-V213 PolarHBondContact O-N 2.9Å | ||
| 214 | V | 62.1 | Low | 69.1 | Low | 32 Ų | 32 | 64.7 Ų | 64.7 | 19% | 0.194 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -119.8 | 141.5 | 180 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | D177 N212 L216 R219 | D177-V214 WeakPolarHBondContact OD1-CG1 3.48Å; N212-V214 PolarHBondContact O-N 3.39Å; V214-L216 PolarHBondContact O-N 3.28Å; V214-R219 PolarHBondContact O-NH2 3Å |
| 215 | T | 73.2 | Confident | 70.6 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 39% | 0.387 | 34% | 0.343 | S | S | . | . | trans | -42.5 | 121.6 | 177.9 | -48.3 | 0 | 0 | 0 | 0 | 111.9 | W217 Y218 | T215-W217 HydrophobicContact CG2-CB 4.16Å; T215-W217 HydrophobicContact CG2-CD2 4.08Å; T215-W217 HydrophobicContact CG2-CE3 4.48Å; T215-W217 HydrophobicContact CG2-CG 3.91Å; T215-Y218 HydrophobicContact CG2-CD2 4.18Å; T215-Y218 HydrophobicContact CG2-CE2 4.03Å | ||
| 216 | L | 89.7 | Confident | 72.3 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 12% | 0.12 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -78 | -22.9 | -174.9 | -64.5 | 173.4 | 0 | 0 | 0 | 113 | V214 Y218 R219 S257 Q258 Q261 | V214-L216 PolarHBondContact O-N 3.28Å; L216-Y218 PolarHBondContact O-N 3.16Å; L216-Y218 VanDerWaalsContact O-N 3.09Å; L216-R219 VanDerWaalsContact CD2-CZ 3.48Å; L216-R219 WeakPolarHBondContact O-CB 3.49Å; L216-R219 PolarHBondContact O-N 2.86Å; L216-S257 VanDerWaalsContact CD1-C 3.45Å; L216-Q258 HydrophobicContact CD2-CG 4.12Å; L216-Q261 HydrophobicContact CB-CG 4.42Å |
| 217 | W | 95.1 | Very high | 73.9 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 28% | 0.28 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26 | -161.2 | -55.7 | -7.8 | 0 | 0 | 0 | 114.5 | T215 P251 L253 P254 G255 Q261 | T215-W217 HydrophobicContact CG2-CB 4.16Å; T215-W217 HydrophobicContact CG2-CD2 4.08Å; T215-W217 HydrophobicContact CG2-CE3 4.48Å; T215-W217 HydrophobicContact CG2-CG 3.91Å; W217-P251 HydrophobicContact CE3-CB 3.85Å; W217-P251 HydrophobicContact CE3-CG 4.24Å; W217-P251 HydrophobicContact CH2-CB 4.19Å; W217-P251 HydrophobicContact CH2-CG 4Å; W217-P251 HydrophobicContact CZ3-CB 3.56Å; W217-P251 HydrophobicContact CZ3-CG 3.47Å; W217-P251 VanDerWaalsContact CZ3-CG 3.47Å; W217-L253 WeakPolarHBondContact CA-O 3.34Å; W217-L253 WeakPolarHBondContact CB-O 3.41Å; W217-P254 HydrophobicContact CD2-CB 4.14Å; W217-P254 HydrophobicContact CH2-CB 4.23Å; W217-P254 HydrophobicContact CZ2-CB 3.81Å; W217-G255 PolarHBondContact NE1-O 3.48Å; W217-G255 VanDerWaalsContact NE1-O 3.15Å; W217-Q261 PolarHBondContact O-NE2 2.92Å |
| 218 | Y | 95.9 | Very high | 75.3 | Confident | 20 Ų | 20 | 61.2 Ų | 61.2 | 8% | 0.078 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 0.1 | -177.8 | -48.9 | -81.8 | 0 | 0 | 0 | 112.8 | L178 K179 M180 T215 L216 C241 I242 E245 | L178-Y218 WeakPolarHBondContact O-CB 3.43Å; K179-Y218 HydrophobicContact CB-CD2 3.4Å; K179-Y218 HydrophobicContact CB-CE2 3.43Å; K179-Y218 VanDerWaalsContact CB-CE2 3.43Å; K179-Y218 HydrophobicContact CB-CG 4.1Å; M180-Y218 HydrophobicContact CG-CE1 4.36Å; M180-Y218 VanDerWaalsContact CG-OH 3.29Å; M180-Y218 WeakPolarHBondContact CG-OH 3.39Å; T215-Y218 HydrophobicContact CG2-CD2 4.18Å; T215-Y218 HydrophobicContact CG2-CE2 4.03Å; L216-Y218 PolarHBondContact O-N 3.16Å; L216-Y218 VanDerWaalsContact O-N 3.09Å; Y218-C241 HydrophobicContact CD1-CB 3.69Å; Y218-C241 HydrophobicContact CE1-CB 4.32Å; Y218-I242 HydrophobicContact CD1-CD1 4.48Å; Y218-I242 HydrophobicContact CD1-CG1 3.84Å; Y218-I242 HydrophobicContact CE1-CG1 3.7Å; Y218-E245 VanDerWaalsContact CE1-OE2 3.29Å; Y218-E245 WeakPolarHBondContact CE1-OE2 3.42Å; Y218-E245 VanDerWaalsContact CZ-OE2 3.32Å; Y218-E245 PolarHBondContact OH-OE2 3.09Å |
| 219 | R | 94 | Very high | 77 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | trans | -69.8 | 136.1 | -178.5 | -68.3 | -173.6 | -172.5 | -177.2 | 6.2 | 110 | V214 L216 L224 W237 M265 | V214-R219 PolarHBondContact O-NH2 3Å; L216-R219 VanDerWaalsContact CD2-CZ 3.48Å; L216-R219 WeakPolarHBondContact O-CB 3.49Å; L216-R219 PolarHBondContact O-N 2.86Å; R219-L224 HydrophobicContact CB-CD2 4.06Å; R219-L224 HydrophobicContact CB-CG 4.16Å; R219-W237 PolarHBondContact O-NE1 2.86Å; R219-M265 WeakPolarHBondContact O-CE 3.19Å | ||
| 220 | A | 94.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -73.6 | 154.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E222 I223 L224 I234 W237 | A220-E222 VanDerWaalsContact C-N 3.26Å; A220-E222 VanDerWaalsContact CB-CD 3.47Å; A220-E222 HydrophobicContact CB-CG 4.34Å; A220-E222 VanDerWaalsContact CB-OE2 3.29Å; A220-E222 WeakPolarHBondContact CB-OE2 3.37Å; A220-E222 PolarHBondContact O-N 2.47Å; A220-I223 HydrophobicContact CB-CD1 4.47Å; A220-I223 HydrophobicContact CB-CG1 4.48Å; A220-I223 WeakPolarHBondContact O-CB 3.38Å; A220-I223 PolarHBondContact O-N 2.92Å; A220-L224 PolarHBondContact O-N 3.19Å; A220-I234 HydrophobicContact CB-CB 4.09Å; A220-I234 HydrophobicContact CB-CG2 4.04Å; A220-W237 HydrophobicContact CB-CB 3.76Å; A220-W237 HydrophobicContact CB-CD2 4.32Å; A220-W237 HydrophobicContact CB-CG 3.76Å | ||
| 221 | P | 94.3 | Very high | 81.4 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.6 | -37 | -178.5 | 22.7 | -33.5 | 0 | 0 | 0 | 112.3 | I223 L224 L225 W237 M265 W277 Y320 | P221-I223 VanDerWaalsContact C-N 3.25Å; P221-I223 PolarHBondContact O-N 2.97Å; P221-L224 PolarHBondContact O-N 3.46Å; P221-L224 VanDerWaalsContact O-N 3.16Å; P221-L225 VanDerWaalsContact O-CB 3.31Å; P221-L225 WeakPolarHBondContact O-CB 3.44Å; P221-L225 VanDerWaalsContact O-CG 3.26Å; P221-L225 WeakPolarHBondContact O-CG 3.33Å; P221-L225 PolarHBondContact O-N 2.85Å; P221-W237 HydrophobicContact CG-CE3 4.15Å; P221-W237 HydrophobicContact CG-CH2 4.06Å; P221-W237 HydrophobicContact CG-CZ3 3.85Å; P221-M265 HydrophobicContact CB-SD 4.12Å; P221-W277 HydrophobicContact CB-CZ3 4.22Å; P221-Y320 HydrophobicContact CB-CD1 4Å; P221-Y320 HydrophobicContact CB-CE1 4.17Å; P221-Y320 HydrophobicContact CG-CD1 3.86Å; P221-Y320 HydrophobicContact CG-CE1 4.31Å |
| 222 | E | 92.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -24.5 | 176.6 | 65.5 | -89.8 | -149.9 | 0 | 0 | 114.3 | A220 E226 S227 L230 I234 W277 P322 R325 | A220-E222 VanDerWaalsContact C-N 3.26Å; A220-E222 VanDerWaalsContact CB-CD 3.47Å; A220-E222 HydrophobicContact CB-CG 4.34Å; A220-E222 VanDerWaalsContact CB-OE2 3.29Å; A220-E222 WeakPolarHBondContact CB-OE2 3.37Å; A220-E222 PolarHBondContact O-N 2.47Å; E222-E226 PolarHBondContact O-N 3.47Å; E222-S227 WeakPolarHBondContact O-CB 3.23Å; E222-S227 PolarHBondContact O-N 3.35Å; E222-L230 HydrophobicContact CG-CD2 4.25Å; E222-I234 HydrophobicContact CG-CG2 3.94Å; E222-I234 VanDerWaalsContact OE1-CG2 3.3Å; E222-I234 WeakPolarHBondContact OE1-CG2 3.36Å; E222-W277 HydrophobicContact CB-CH2 3.81Å; E222-W277 HydrophobicContact CB-CZ2 4.01Å; E222-P322 HydrophobicContact CB-CG 3.87Å; E222-P322 VanDerWaalsContact CD-CG 3.49Å; E222-P322 HydrophobicContact CG-CG 3.82Å; E222-R325 IonicContact OE1-CZ 2.77Å; E222-R325 IonicContact OE1-NH1 3.27Å; E222-R325 PolarHBondContact OE1-NH1 3.02Å; E222-R325 IonicContact OE1-NH2 2.84Å; E222-R325 PolarHBondContact OE1-NH2 3.5Å; E222-R325 IonicContact OE2-CZ 3.12Å; E222-R325 IonicContact OE2-NH1 2.89Å; E222-R325 PolarHBondContact OE2-NH1 2.98Å; E222-R325 IonicContact OE2-NH2 2.63Å; E222-R325 PolarHBondContact OE2-NH2 2.62Å |
| 223 | I | 91.3 | Very high | 86.2 | Confident | 51 Ų | 51 | 48 Ų | 48 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -75.8 | -46.1 | 171.9 | -62.3 | 177.1 | 0 | 0 | 0 | 109.5 | A220 P221 L225 E226 L230 I234 | A220-I223 HydrophobicContact CB-CD1 4.47Å; A220-I223 HydrophobicContact CB-CG1 4.48Å; A220-I223 WeakPolarHBondContact O-CB 3.38Å; A220-I223 PolarHBondContact O-N 2.92Å; P221-I223 VanDerWaalsContact C-N 3.25Å; P221-I223 PolarHBondContact O-N 2.97Å; I223-L225 VanDerWaalsContact C-N 3.29Å; I223-L225 PolarHBondContact O-N 3.3Å; I223-E226 PolarHBondContact O-N 3.36Å; I223-L230 HydrophobicContact CG1-CD2 3.96Å; I223-I234 HydrophobicContact CD1-CB 3.96Å; I223-I234 HydrophobicContact CD1-CD1 4.1Å; I223-I234 HydrophobicContact CD1-CG2 3.91Å; I223-I234 HydrophobicContact CG1-CG2 3.96Å |
| 224 | L | 91.4 | Very high | 88.5 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.5 | -30 | -178.6 | -62.8 | 175.7 | 0 | 0 | 0 | 112.6 | R219 A220 P221 E226 Q258 Q261 I262 M265 | R219-L224 HydrophobicContact CB-CD2 4.06Å; R219-L224 HydrophobicContact CB-CG 4.16Å; A220-L224 PolarHBondContact O-N 3.19Å; P221-L224 PolarHBondContact O-N 3.46Å; P221-L224 VanDerWaalsContact O-N 3.16Å; L224-E226 VanDerWaalsContact C-N 3.3Å; L224-Q258 HydrophobicContact CD2-CB 4.49Å; L224-Q258 HydrophobicContact CD2-CG 4.41Å; L224-Q261 HydrophobicContact CD1-CB 4.05Å; L224-Q261 HydrophobicContact CD1-CG 3.57Å; L224-I262 HydrophobicContact CB-CD1 4.07Å; L224-I262 HydrophobicContact CB-CG1 3.96Å; L224-I262 HydrophobicContact CD1-CG1 3.92Å; L224-M265 HydrophobicContact CD1-CE 3.41Å; L224-M265 VanDerWaalsContact CD1-CE 3.41Å; L224-M265 HydrophobicContact CD1-SD 3.95Å |
| 225 | L | 91 | Very high | 90.2 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 9.1 | 176.9 | -60.4 | 179.8 | 0 | 0 | 0 | 113.3 | P221 I223 S227 I262 W277 L280 L283 P284 A285 L286 F289 | P221-L225 VanDerWaalsContact O-CB 3.31Å; P221-L225 WeakPolarHBondContact O-CB 3.44Å; P221-L225 VanDerWaalsContact O-CG 3.26Å; P221-L225 WeakPolarHBondContact O-CG 3.33Å; P221-L225 PolarHBondContact O-N 2.85Å; I223-L225 VanDerWaalsContact C-N 3.29Å; I223-L225 PolarHBondContact O-N 3.3Å; L225-S227 VanDerWaalsContact C-N 3.34Å; L225-S227 PolarHBondContact O-N 3.25Å; L225-I262 HydrophobicContact CD2-CD1 3.93Å; L225-W277 HydrophobicContact CD1-CH2 4.05Å; L225-W277 HydrophobicContact CD1-CZ3 3.67Å; L225-L280 HydrophobicContact CD1-CD1 3.94Å; L225-L283 HydrophobicContact CB-CB 4.23Å; L225-L283 HydrophobicContact CB-CD1 3.66Å; L225-L283 HydrophobicContact CB-CG 4.5Å; L225-L283 HydrophobicContact CD1-CD1 3.7Å; L225-L283 HydrophobicContact CG-CD1 4.34Å; L225-P284 WeakPolarHBondContact O-CD 3.44Å; L225-A285 HydrophobicContact CB-CB 4.46Å; L225-A285 HydrophobicContact CD2-CB 4.26Å; L225-L286 HydrophobicContact CD2-CD2 4.02Å; L225-L286 HydrophobicContact CD2-CG 4.1Å; L225-F289 HydrophobicContact CD2-CZ 3.85Å |
| 226 | E | 88.2 | Confident | 91.4 | Very high | 107 Ų | 107 | 38.1 Ų | 38.1 | 50% | 0.5 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 37.9 | 174.5 | -55.8 | -177 | 171.6 | 0 | 0 | 114.3 | E222 I223 L224 R228 P284 A285 | E222-E226 PolarHBondContact O-N 3.47Å; I223-E226 PolarHBondContact O-N 3.36Å; L224-E226 VanDerWaalsContact C-N 3.3Å; E226-R228 PolarHBondContact O-N 3.28Å; E226-P284 HydrophobicContact CB-CB 4.07Å; E226-P284 HydrophobicContact CB-CG 4.1Å; E226-P284 VanDerWaalsContact O-CD 3.31Å; E226-P284 WeakPolarHBondContact O-CD 3.39Å; E226-P284 WeakPolarHBondContact O-CG 3.38Å; E226-A285 HydrophobicContact CG-CB 4.26Å |
| 227 | S | 87 | Confident | 91.8 | Very high | 25 Ų | 25 | 37 Ų | 37 | 18% | 0.175 | 18% | 0.175 | C | C | . | . | trans | -58.7 | 134.1 | 170.5 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | E222 L225 L229 | E222-S227 WeakPolarHBondContact O-CB 3.23Å; E222-S227 PolarHBondContact O-N 3.35Å; L225-S227 VanDerWaalsContact C-N 3.34Å; L225-S227 PolarHBondContact O-N 3.25Å; S227-L229 VanDerWaalsContact C-N 3.3Å; S227-L229 PolarHBondContact OG-N 3.28Å; S227-L229 PolarHBondContact OG-O 2.77Å; S227-L229 VanDerWaalsContact OG-O 3.08Å | ||
| 228 | R | 79.7 | Confident | 91.9 | Very high | 189 Ų | 189 | 33.7 Ų | 33.7 | 71% | 0.713 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -72.5 | -27.1 | 174.4 | -65.2 | -176.9 | -177.4 | 170.1 | -0.9 | 112.5 | E226 | E226-R228 PolarHBondContact O-N 3.28Š|
| 229 | L | 79.8 | Confident | 92.1 | Very high | 147 Ų | 147 | 33 Ų | 33 | 77% | 0.77 | 16% | 0.161 | S | C | * | . | trans | -99.9 | 102.6 | -177.4 | -61.2 | 174.6 | 0 | 0 | 0 | 108 | S227 | S227-L229 VanDerWaalsContact C-N 3.3Å; S227-L229 PolarHBondContact OG-N 3.28Å; S227-L229 PolarHBondContact OG-O 2.77Å; S227-L229 VanDerWaalsContact OG-O 3.08Å | ||
| 230 | L | 85 | Confident | 92.3 | Very high | 41 Ų | 41 | 31.1 Ų | 31.1 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | trans | -101.4 | 137.8 | 171.8 | -58.7 | -176.9 | 0 | 0 | 0 | 109.2 | F202 T206 E222 I223 I234 | F202-L230 WeakPolarHBondContact CE2-O 3.35Å; T206-L230 HydrophobicContact CG2-CD1 3.98Å; E222-L230 HydrophobicContact CG-CD2 4.25Å; I223-L230 HydrophobicContact CG1-CD2 3.96Å; L230-I234 HydrophobicContact CD2-CG2 4.45Å | ||
| 231 | S | 90.1 | Very high | 92.4 | Very high | 25 Ų | 25 | 31.2 Ų | 31.2 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | trans | -128.5 | -179.4 | 179.8 | 73.2 | 0 | 0 | 0 | 0 | 112.1 | F202 A233 I234 | F202-S231 VanDerWaalsContact CE2-CA 3.49Å; S231-A233 PolarHBondContact O-N 2.88Å; S231-A233 VanDerWaalsContact O-N 3.12Å; S231-A233 VanDerWaalsContact OG-CB 3.24Å; S231-A233 WeakPolarHBondContact OG-CB 3.08Å; S231-A233 PolarHBondContact OG-N 3.12Å; S231-I234 WeakPolarHBondContact O-CG1 3.39Å; S231-I234 PolarHBondContact O-N 3.28Å | ||
| 232 | T | 93.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 31 Ų | 31 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.8 | 172 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | H169 V174 I234 D235 | H169-T232 HydrophobicContact CB-CG2 3.85Å; H169-T232 PolarHBondContact CE1-O 3.46Å; V174-T232 HydrophobicContact CG2-CG2 3.95Å; T232-I234 PolarHBondContact O-N 3.43Å; T232-D235 PolarHBondContact O-N 3.39Å; T232-D235 VanDerWaalsContact O-N 3.12Å |
| 233 | A | 95.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.7 | -26.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S231 D235 I236 W237 P322 R325 | S231-A233 PolarHBondContact O-N 2.88Å; S231-A233 VanDerWaalsContact O-N 3.12Å; S231-A233 VanDerWaalsContact OG-CB 3.24Å; S231-A233 WeakPolarHBondContact OG-CB 3.08Å; S231-A233 PolarHBondContact OG-N 3.12Å; A233-D235 VanDerWaalsContact C-N 3.31Å; A233-D235 PolarHBondContact O-N 2.85Å; A233-I236 PolarHBondContact O-N 2.96Å; A233-W237 PolarHBondContact O-N 2.95Å; A233-P322 HydrophobicContact CB-CB 3.86Å; A233-P322 WeakPolarHBondContact CB-O 3.45Å; A233-R325 VanDerWaalsContact C-NH1 3.3Å; A233-R325 HydrophobicContact CB-CB 4.28Å; A233-R325 WeakPolarHBondContact O-CD 3.13Å; A233-R325 PolarHBondContact O-NH1 3.34Å |
| 234 | I | 95.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.8 | -35.8 | 178.1 | 71 | -173.9 | 0 | 0 | 0 | 111.8 | V174 R176 A220 E222 I223 L230 S231 T232 I236 W237 A238 | V174-I234 HydrophobicContact CG1-CD1 3.68Å; V174-I234 HydrophobicContact CG1-CG1 3.76Å; R176-I234 HydrophobicContact CB-CD1 4.01Å; R176-I234 HydrophobicContact CG-CD1 3.91Å; A220-I234 HydrophobicContact CB-CB 4.09Å; A220-I234 HydrophobicContact CB-CG2 4.04Å; E222-I234 HydrophobicContact CG-CG2 3.94Å; E222-I234 VanDerWaalsContact OE1-CG2 3.3Å; E222-I234 WeakPolarHBondContact OE1-CG2 3.36Å; I223-I234 HydrophobicContact CD1-CB 3.96Å; I223-I234 HydrophobicContact CD1-CD1 4.1Å; I223-I234 HydrophobicContact CD1-CG2 3.91Å; I223-I234 HydrophobicContact CG1-CG2 3.96Å; L230-I234 HydrophobicContact CD2-CG2 4.45Å; S231-I234 WeakPolarHBondContact O-CG1 3.39Å; S231-I234 PolarHBondContact O-N 3.28Å; T232-I234 PolarHBondContact O-N 3.43Å; I234-I236 VanDerWaalsContact C-N 3.33Å; I234-W237 PolarHBondContact O-N 2.67Å; I234-A238 PolarHBondContact O-N 3.07Å; I234-A238 VanDerWaalsContact O-N 3.15Å |
| 235 | D | 97 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.1 | -32.8 | 178.2 | -64.7 | -25.8 | 0 | 0 | 0 | 110.5 | L165 H169 V174 H175 R176 T232 A233 A238 A239 | L165-D235 HydrophobicContact CD1-CB 4.22Å; L165-D235 HydrophobicContact CD2-CB 3.87Å; H169-D235 IonicContact CD2-OD2 2.96Å; H169-D235 IonicContact CE1-OD2 2.79Å; H169-D235 IonicContact NE2-OD2 3.95Å; H169-D235 PolarHBondContact NE2-OD2 2.94Å; V174-D235 WeakPolarHBondContact CG1-OD2 3.29Å; H175-D235 PolarHBondContact N-OD1 3.06Å; H175-D235 PolarHBondContact N-OD2 3.32Å; R176-D235 PolarHBondContact N-OD1 3.13Å; T232-D235 PolarHBondContact O-N 3.39Å; T232-D235 VanDerWaalsContact O-N 3.12Å; A233-D235 VanDerWaalsContact C-N 3.31Å; A233-D235 PolarHBondContact O-N 2.85Å; D235-A238 PolarHBondContact O-N 3.05Å; D235-A239 WeakPolarHBondContact O-CB 3.28Å; D235-A239 PolarHBondContact O-N 3.45Å |
| 236 | I | 98.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.4 | -41.7 | 176.2 | -54.5 | -58.4 | 0 | 0 | 0 | 110.9 | L165 A233 I234 A238 A239 G240 M317 R325 A326 A328 | L165-I236 HydrophobicContact CD1-CD1 4.29Å; A233-I236 PolarHBondContact O-N 2.96Å; I234-I236 VanDerWaalsContact C-N 3.33Å; I236-A238 VanDerWaalsContact C-N 3.34Å; I236-A238 PolarHBondContact O-N 3.02Å; I236-A239 PolarHBondContact O-N 2.89Å; I236-G240 PolarHBondContact O-N 3.45Å; I236-M317 HydrophobicContact CG2-CB 4.15Å; I236-M317 HydrophobicContact CG2-CE 4.16Å; I236-M317 HydrophobicContact CG2-CG 4.04Å; I236-M317 WeakPolarHBondContact O-CE 3.32Å; I236-R325 HydrophobicContact CG2-CG 4.46Å; I236-A326 WeakPolarHBondContact CG1-O 3.19Å; I236-A326 WeakPolarHBondContact CG2-O 3.4Å; I236-A328 HydrophobicContact CD1-CB 3.77Å |
| 237 | W | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.2 | -49.2 | 173.4 | -178.9 | -79.5 | 0 | 0 | 0 | 111.1 | R219 A220 P221 A233 I234 A239 G240 C241 M265 F269 F318 | R219-W237 PolarHBondContact O-NE1 2.86Å; A220-W237 HydrophobicContact CB-CB 3.76Å; A220-W237 HydrophobicContact CB-CD2 4.32Å; A220-W237 HydrophobicContact CB-CG 3.76Å; P221-W237 HydrophobicContact CG-CE3 4.15Å; P221-W237 HydrophobicContact CG-CH2 4.06Å; P221-W237 HydrophobicContact CG-CZ3 3.85Å; A233-W237 PolarHBondContact O-N 2.95Å; I234-W237 PolarHBondContact O-N 2.67Å; W237-A239 VanDerWaalsContact C-N 3.32Å; W237-A239 PolarHBondContact O-N 3.25Å; W237-G240 WeakPolarHBondContact O-CA 3.4Å; W237-G240 PolarHBondContact O-N 3.21Å; W237-C241 PolarHBondContact O-N 3.43Å; W237-M265 HydrophobicContact CH2-SD 4.37Å; W237-M265 HydrophobicContact CZ2-CE 3.7Å; W237-M265 HydrophobicContact CZ2-CG 4Å; W237-M265 HydrophobicContact CZ2-SD 3.82Å; W237-F269 AromaticContact CH2-CD2 3.78Å; W237-F269 HydrophobicContact CH2-CD2 3.78Å; W237-F269 AromaticContact CH2-CE2 3.51Å; W237-F269 HydrophobicContact CH2-CE2 3.51Å; W237-F269 HydrophobicContact CH2-CZ 4.26Å; W237-F269 HydrophobicContact CZ2-CD2 4.26Å; W237-F269 AromaticContact CZ2-CE2 3.6Å; W237-F269 HydrophobicContact CZ2-CE2 3.6Å; W237-F269 HydrophobicContact CZ2-CZ 4.31Å; W237-F318 AromaticContact CD2-CD1 3.88Å; W237-F318 HydrophobicContact CD2-CD1 3.88Å; W237-F318 HydrophobicContact CD2-CE1 4.36Å; W237-F318 AromaticContact CE2-CD1 3.98Å; W237-F318 HydrophobicContact CE3-CB 4.5Å; W237-F318 AromaticContact CE3-CD1 3.82Å; W237-F318 HydrophobicContact CE3-CD1 3.82Å; W237-F318 HydrophobicContact CH2-CB 4.43Å; W237-F318 AromaticContact CH2-CD1 4Å; W237-F318 HydrophobicContact CH2-CD1 4Å; W237-F318 HydrophobicContact CZ2-CD1 4.04Å; W237-F318 HydrophobicContact CZ3-CB 4.04Å; W237-F318 AromaticContact CZ3-CD1 3.89Å; W237-F318 HydrophobicContact CZ3-CD1 3.89Å; W237-F318 HydrophobicContact CZ3-CG 4.47Å |
| 238 | A | 97.7 | Very high | 94.5 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.033 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L178 I234 D235 I236 G240 C241 I242 | L178-A238 HydrophobicContact CB-CB 3.82Å; L178-A238 HydrophobicContact CD2-CB 4.13Å; L178-A238 HydrophobicContact CG-CB 4.45Å; I234-A238 PolarHBondContact O-N 3.07Å; I234-A238 VanDerWaalsContact O-N 3.15Å; D235-A238 PolarHBondContact O-N 3.05Å; I236-A238 VanDerWaalsContact C-N 3.34Å; I236-A238 PolarHBondContact O-N 3.02Å; A238-G240 VanDerWaalsContact C-N 3.29Å; A238-G240 PolarHBondContact O-N 3.28Å; A238-C241 WeakPolarHBondContact O-CB 3.14Å; A238-C241 PolarHBondContact O-N 3.34Å; A238-I242 WeakPolarHBondContact O-CG1 3.37Å; A238-I242 PolarHBondContact O-N 2.76Å |
| 239 | A | 98.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 21 Ų | 21 | 4% | 0.041 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.8 | -35.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I161 L165 L178 D235 I236 W237 I242 L243 M317 | I161-A239 HydrophobicContact CG2-CB 4.13Å; L165-A239 HydrophobicContact CD1-CB 3.84Å; L178-A239 HydrophobicContact CD2-CB 3.99Å; D235-A239 WeakPolarHBondContact O-CB 3.28Å; D235-A239 PolarHBondContact O-N 3.45Å; I236-A239 PolarHBondContact O-N 2.89Å; W237-A239 VanDerWaalsContact C-N 3.32Å; W237-A239 PolarHBondContact O-N 3.25Å; A239-I242 PolarHBondContact O-N 3.43Å; A239-L243 WeakPolarHBondContact O-CB 3.25Å; A239-L243 PolarHBondContact O-N 3.01Å; A239-M317 HydrophobicContact CB-CE 3.77Å |
| 240 | G | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.6 | -46.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I236 W237 A238 I242 L243 C244 M317 F318 | I236-G240 PolarHBondContact O-N 3.45Å; W237-G240 WeakPolarHBondContact O-CA 3.4Å; W237-G240 PolarHBondContact O-N 3.21Å; A238-G240 VanDerWaalsContact C-N 3.29Å; A238-G240 PolarHBondContact O-N 3.28Å; G240-I242 VanDerWaalsContact C-N 3.3Å; G240-I242 PolarHBondContact O-N 3.47Å; G240-L243 PolarHBondContact O-N 3.03Å; G240-C244 PolarHBondContact O-N 2.86Å; G240-C244 PolarHBondContact O-SG 2.8Å; G240-M317 VanDerWaalsContact N-CE 3.25Å; G240-F318 WeakPolarHBondContact O-CZ 3.43Å |
| 241 | C | 98.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -42.7 | 174.5 | -71.3 | 0 | 0 | 0 | 0 | 111.9 | Y218 W237 A238 C244 E245 | Y218-C241 HydrophobicContact CD1-CB 3.69Å; Y218-C241 HydrophobicContact CE1-CB 4.32Å; W237-C241 PolarHBondContact O-N 3.43Å; A238-C241 WeakPolarHBondContact O-CB 3.14Å; A238-C241 PolarHBondContact O-N 3.34Å; C241-C244 WeakPolarHBondContact O-CB 3.48Å; C241-C244 PolarHBondContact O-N 3.22Å; C241-E245 WeakPolarHBondContact O-CB 3.49Å; C241-E245 PolarHBondContact O-N 2.84Å |
| 242 | I | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | 177.2 | -71.4 | 165.2 | 0 | 0 | 0 | 111.3 | I161 L178 M180 L183 Y218 A238 A239 G240 C244 E245 L246 | I161-I242 HydrophobicContact CD1-CG2 3.77Å; L178-I242 HydrophobicContact CD2-CD1 4.04Å; L178-I242 HydrophobicContact CG-CD1 3.84Å; M180-I242 HydrophobicContact CG-CG1 4.43Å; M180-I242 HydrophobicContact SD-CB 4.26Å; M180-I242 HydrophobicContact SD-CG1 4.09Å; M180-I242 HydrophobicContact SD-CG2 3.6Å; M180-I242 VanDerWaalsContact SD-CG2 3.6Å; L183-I242 HydrophobicContact CD1-CD1 3.82Å; L183-I242 HydrophobicContact CD1-CG2 3.87Å; Y218-I242 HydrophobicContact CD1-CD1 4.48Å; Y218-I242 HydrophobicContact CD1-CG1 3.84Å; Y218-I242 HydrophobicContact CE1-CG1 3.7Å; A238-I242 WeakPolarHBondContact O-CG1 3.37Å; A238-I242 PolarHBondContact O-N 2.76Å; A239-I242 PolarHBondContact O-N 3.43Å; G240-I242 VanDerWaalsContact C-N 3.3Å; G240-I242 PolarHBondContact O-N 3.47Å; I242-C244 VanDerWaalsContact C-N 3.34Å; I242-C244 PolarHBondContact O-N 3.43Å; I242-E245 PolarHBondContact O-N 3.33Å; I242-L246 HydrophobicContact CG2-CD1 4.11Å; I242-L246 HydrophobicContact CG2-CG 4.47Å; I242-L246 WeakPolarHBondContact O-CG 3.32Å; I242-L246 PolarHBondContact O-N 3.32Å |
| 243 | L | 98.2 | Very high | 96.8 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.8 | -45.3 | 175.5 | 174 | 55.6 | 0 | 0 | 0 | 111.2 | T154 A158 A239 G240 E245 L246 L247 L313 L314 M317 | T154-L243 HydrophobicContact CG2-CD1 3.54Å; A158-L243 HydrophobicContact CB-CD1 4.03Å; A239-L243 WeakPolarHBondContact O-CB 3.25Å; A239-L243 PolarHBondContact O-N 3.01Å; G240-L243 PolarHBondContact O-N 3.03Å; L243-E245 VanDerWaalsContact C-N 3.34Å; L243-E245 PolarHBondContact O-N 2.93Å; L243-L246 PolarHBondContact O-N 2.98Å; L243-L247 HydrophobicContact CD1-CD1 4.04Å; L243-L247 HydrophobicContact CD1-CG 4.14Å; L243-L247 HydrophobicContact CG-CD1 4.17Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.31Å; L243-L247 PolarHBondContact O-N 3.36Å; L243-L313 HydrophobicContact CD2-CD2 3.95Å; L243-L314 HydrophobicContact CD2-CD2 3.73Å; L243-L314 HydrophobicContact CG-CD2 4.04Å; L243-M317 HydrophobicContact CD2-SD 4.36Å |
| 244 | C | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 174.3 | -76.9 | 0 | 0 | 0 | 0 | 112.4 | G240 C241 I242 L247 L248 F252 F303 F318 | G240-C244 PolarHBondContact O-N 2.86Å; G240-C244 PolarHBondContact O-SG 2.8Å; C241-C244 WeakPolarHBondContact O-CB 3.48Å; C241-C244 PolarHBondContact O-N 3.22Å; I242-C244 VanDerWaalsContact C-N 3.34Å; I242-C244 PolarHBondContact O-N 3.43Å; C244-L247 PolarHBondContact O-N 2.86Å; C244-L248 WeakPolarHBondContact O-CB 3.14Å; C244-L248 VanDerWaalsContact O-CG 3.31Å; C244-L248 WeakPolarHBondContact O-CG 3.11Å; C244-L248 PolarHBondContact O-N 3.24Å; C244-F252 HydrophobicContact CB-CB 3.79Å; C244-F252 HydrophobicContact CB-CD1 3.43Å; C244-F252 VanDerWaalsContact CB-CD1 3.43Å; C244-F252 HydrophobicContact CB-CD2 3.91Å; C244-F252 HydrophobicContact CB-CE1 3.9Å; C244-F252 HydrophobicContact CB-CE2 4.34Å; C244-F252 HydrophobicContact CB-CG 3.43Å; C244-F252 VanDerWaalsContact CB-CG 3.43Å; C244-F252 HydrophobicContact CB-CZ 4.34Å; C244-F252 VanDerWaalsContact SG-CE1 3.6Å; C244-F303 HydrophobicContact CB-CE1 4.4Å; C244-F303 HydrophobicContact CB-CE2 4.33Å; C244-F303 HydrophobicContact CB-CZ 3.58Å; C244-F303 WeakPolarHBondContact SG-CZ 3.12Å; C244-F318 VanDerWaalsContact SG-CE2 3.59Å |
| 245 | E | 97.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 20.7 Ų | 20.7 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 179.5 | 176.8 | 163.9 | -170.6 | 0 | 0 | 112.4 | M142 M180 Y218 C241 I242 L243 H249 K250 | M142-E245 HydrophobicContact CE-CG 4.48Å; M142-E245 WeakPolarHBondContact CE-O 3.36Å; M180-E245 HydrophobicContact CG-CG 4.49Å; Y218-E245 VanDerWaalsContact CE1-OE2 3.29Å; Y218-E245 WeakPolarHBondContact CE1-OE2 3.42Å; Y218-E245 VanDerWaalsContact CZ-OE2 3.32Å; Y218-E245 PolarHBondContact OH-OE2 3.09Å; C241-E245 WeakPolarHBondContact O-CB 3.49Å; C241-E245 PolarHBondContact O-N 2.84Å; I242-E245 PolarHBondContact O-N 3.33Å; L243-E245 VanDerWaalsContact C-N 3.34Å; L243-E245 PolarHBondContact O-N 2.93Å; E245-H249 WeakPolarHBondContact O-CA 3.35Å; E245-H249 PolarHBondContact O-N 3.31Å; E245-K250 WeakPolarHBondContact CA-O 2.93Å; E245-K250 WeakPolarHBondContact CG-O 3.34Å; E245-K250 PolarHBondContact O-N 3.2Å |
| 246 | L | 96.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 172.3 | -71.4 | 171.3 | 0 | 0 | 0 | 112 | M142 F149 T154 L157 M180 I242 L243 | M142-L246 HydrophobicContact CE-CD2 4.35Å; M142-L246 HydrophobicContact SD-CD2 3.9Å; F149-L246 HydrophobicContact CD2-CD2 3.85Å; F149-L246 HydrophobicContact CE2-CD2 4.1Å; T154-L246 HydrophobicContact CG2-CB 3.62Å; T154-L246 HydrophobicContact CG2-CD1 4.29Å; L157-L246 HydrophobicContact CB-CD1 4.1Å; L157-L246 HydrophobicContact CD1-CD1 4.15Å; L157-L246 HydrophobicContact CD1-CD2 4.02Å; M180-L246 HydrophobicContact CE-CD2 3.79Å; M180-L246 HydrophobicContact CE-CG 4.29Å; I242-L246 HydrophobicContact CG2-CD1 4.11Å; I242-L246 HydrophobicContact CG2-CG 4.47Å; I242-L246 WeakPolarHBondContact O-CG 3.32Å; I242-L246 PolarHBondContact O-N 3.32Å; L243-L246 PolarHBondContact O-N 2.98Å |
| 247 | L | 96.3 | Very high | 96.2 | Very high | 48 Ų | 48 | 30.5 Ų | 30.5 | 25% | 0.251 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -69.5 | -36.8 | 178.4 | -71.5 | 171.8 | 0 | 0 | 0 | 112.8 | E151 T154 L243 C244 F303 L306 | E151-L247 HydrophobicContact CG-CD2 4.47Å; T154-L247 HydrophobicContact CG2-CD2 3.76Å; T154-L247 HydrophobicContact CG2-CG 3.92Å; L243-L247 HydrophobicContact CD1-CD1 4.04Å; L243-L247 HydrophobicContact CD1-CG 4.14Å; L243-L247 HydrophobicContact CG-CD1 4.17Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.31Å; L243-L247 PolarHBondContact O-N 3.36Å; C244-L247 PolarHBondContact O-N 2.86Å; L247-F303 HydrophobicContact CB-CD1 4.33Å; L247-F303 HydrophobicContact CB-CE1 3.83Å; L247-F303 HydrophobicContact CD1-CD1 4.27Å; L247-F303 HydrophobicContact CD1-CE1 4.12Å; L247-L306 HydrophobicContact CD1-CD1 4.09Å; L247-L306 HydrophobicContact CD1-CD2 4.26Å |
| 248 | L | 95.4 | Very high | 95.8 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 24% | 0.241 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -87.2 | -17.5 | -179 | -69 | 172.6 | 0 | 0 | 0 | 113.6 | C244 K250 F252 I302 F303 | C244-L248 WeakPolarHBondContact O-CB 3.14Å; C244-L248 VanDerWaalsContact O-CG 3.31Å; C244-L248 WeakPolarHBondContact O-CG 3.11Å; C244-L248 PolarHBondContact O-N 3.24Å; L248-K250 HydrophobicContact CB-CG 3.91Å; L248-K250 PolarHBondContact O-N 3.4Å; L248-F252 HydrophobicContact CD1-CD2 3.7Å; L248-F252 HydrophobicContact CD1-CE2 4.44Å; L248-F252 HydrophobicContact CD1-CG 4.49Å; L248-I302 HydrophobicContact CD1-CG2 4.07Å; L248-I302 HydrophobicContact CD2-CG2 4.06Å; L248-F303 HydrophobicContact CD1-CE1 4.07Å; L248-F303 HydrophobicContact CD1-CZ 3.71Å; L248-F303 HydrophobicContact CD2-CD1 4.36Å; L248-F303 HydrophobicContact CD2-CE1 3.86Å; L248-F303 HydrophobicContact CD2-CZ 4.26Å; L248-F303 HydrophobicContact CG-CE1 3.6Å; L248-F303 HydrophobicContact CG-CZ 3.8Å |
| 249 | H | 94.7 | Very high | 95.4 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 29.9 | -170.4 | -159.7 | 52 | 0 | 0 | 0 | 114.2 | M142 M145 P148 E245 | M142-H249 HydrophobicContact CE-CB 4.43Å; M142-H249 WeakPolarHBondContact CE-ND1 3.38Å; M142-H249 PolarHBondContact O-CE1 3.06Å; M145-H249 WeakPolarHBondContact CG-CE1 3.37Å; M145-H249 PolarHBondContact SD-CE1 3.28Å; P148-H249 HydrophobicContact CB-CB 3.87Å; P148-H249 HydrophobicContact CG-CB 3.95Å; E245-H249 WeakPolarHBondContact O-CA 3.35Å; E245-H249 PolarHBondContact O-N 3.31Å |
| 250 | K | 94.4 | Very high | 95.2 | Very high | 130 Ų | 130 | 40.3 Ų | 40.3 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -157.7 | 157.5 | 175.9 | 64.6 | 179.8 | -179.1 | -177.8 | 0 | 109.9 | E245 L248 F252 | E245-K250 WeakPolarHBondContact CA-O 2.93Å; E245-K250 WeakPolarHBondContact CG-O 3.34Å; E245-K250 PolarHBondContact O-N 3.2Å; L248-K250 HydrophobicContact CB-CG 3.91Å; L248-K250 PolarHBondContact O-N 3.4Å; K250-F252 PolarHBondContact O-N 2.8Å |
| 251 | P | 94.3 | Very high | 95 | Very high | 49 Ų | 49 | 40.3 Ų | 40.3 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | trans | -52.5 | 129.2 | 176.6 | -29.3 | 37.2 | 0 | 0 | 0 | 112.6 | W217 P254 | W217-P251 HydrophobicContact CE3-CB 3.85Å; W217-P251 HydrophobicContact CE3-CG 4.24Å; W217-P251 HydrophobicContact CH2-CB 4.19Å; W217-P251 HydrophobicContact CH2-CG 4Å; W217-P251 HydrophobicContact CZ3-CB 3.56Å; W217-P251 HydrophobicContact CZ3-CG 3.47Å; W217-P251 VanDerWaalsContact CZ3-CG 3.47Å; P251-P254 HydrophobicContact CB-CB 3.93Å; P251-P254 HydrophobicContact CB-CG 4.3Å | ||
| 252 | F | 96.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -78.2 | -49 | -174.7 | 177.3 | -134.3 | 0 | 0 | 0 | 113.1 | C244 L248 K250 T268 F269 L299 I302 F303 F318 | C244-F252 HydrophobicContact CB-CB 3.79Å; C244-F252 HydrophobicContact CB-CD1 3.43Å; C244-F252 VanDerWaalsContact CB-CD1 3.43Å; C244-F252 HydrophobicContact CB-CD2 3.91Å; C244-F252 HydrophobicContact CB-CE1 3.9Å; C244-F252 HydrophobicContact CB-CE2 4.34Å; C244-F252 HydrophobicContact CB-CG 3.43Å; C244-F252 VanDerWaalsContact CB-CG 3.43Å; C244-F252 HydrophobicContact CB-CZ 4.34Å; C244-F252 VanDerWaalsContact SG-CE1 3.6Å; L248-F252 HydrophobicContact CD1-CD2 3.7Å; L248-F252 HydrophobicContact CD1-CE2 4.44Å; L248-F252 HydrophobicContact CD1-CG 4.49Å; K250-F252 PolarHBondContact O-N 2.8Å; F252-T268 HydrophobicContact CE2-CG2 4.22Å; F252-T268 HydrophobicContact CZ-CG2 3.73Å; F252-F269 HydrophobicContact CE1-CE1 4.35Å; F252-F269 AromaticContact CE1-CZ 3.83Å; F252-F269 HydrophobicContact CE1-CZ 3.83Å; F252-F269 HydrophobicContact CZ-CE1 4.27Å; F252-F269 HydrophobicContact CZ-CZ 4.1Å; F252-L299 HydrophobicContact CZ-CD2 3.99Å; F252-I302 HydrophobicContact CE2-CD1 4.12Å; F252-I302 HydrophobicContact CE2-CG2 4.34Å; F252-F303 HydrophobicContact CD2-CE2 4.46Å; F252-F303 HydrophobicContact CD2-CZ 4.33Å; F252-F303 AromaticContact CE2-CE2 3.83Å; F252-F303 HydrophobicContact CE2-CE2 3.83Å; F252-F303 HydrophobicContact CE2-CZ 4.14Å; F252-F303 HydrophobicContact CZ-CE2 4.17Å; F252-F318 HydrophobicContact CD1-CZ 4.24Å; F252-F318 HydrophobicContact CE1-CE1 4.37Å; F252-F318 HydrophobicContact CE1-CE2 4.03Å; F252-F318 AromaticContact CE1-CZ 3.69Å; F252-F318 HydrophobicContact CE1-CZ 3.69Å |
| 253 | L | 96.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -127.5 | 71.4 | -179.8 | -60.6 | 171.5 | 0 | 0 | 0 | 110.8 | W217 G255 Q261 L264 M265 F269 | W217-L253 WeakPolarHBondContact CA-O 3.34Å; W217-L253 WeakPolarHBondContact CB-O 3.41Å; L253-G255 VanDerWaalsContact C-N 3.29Å; L253-G255 PolarHBondContact O-N 3.47Å; L253-Q261 VanDerWaalsContact CB-NE2 3.32Å; L253-Q261 PolarHBondContact O-NE2 3.33Å; L253-Q261 PolarHBondContact O-OE1 3.18Å; L253-L264 HydrophobicContact CD2-CB 4.03Å; L253-M265 HydrophobicContact CD1-CG 4.26Å; L253-F269 HydrophobicContact CD1-CE2 3.99Å; L253-F269 HydrophobicContact CD1-CZ 4.23Å |
| 254 | P | 95.2 | Very high | 94.5 | Very high | 47 Ų | 47 | 45.6 Ų | 45.6 | 31% | 0.305 | 23% | 0.231 | S | C | . | . | trans | -81.9 | 61.6 | -172.9 | 34.2 | -36.7 | 0 | 0 | 0 | 113.7 | W217 P251 Q256 | W217-P254 HydrophobicContact CD2-CB 4.14Å; W217-P254 HydrophobicContact CH2-CB 4.23Å; W217-P254 HydrophobicContact CZ2-CB 3.81Å; P251-P254 HydrophobicContact CB-CB 3.93Å; P251-P254 HydrophobicContact CB-CG 4.3Å; P254-Q256 PolarHBondContact O-NE2 2.83Å | ||
| 255 | G | 94.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | trans | -66.8 | 141.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W217 L253 | W217-G255 PolarHBondContact NE1-O 3.48Å; W217-G255 VanDerWaalsContact NE1-O 3.15Å; L253-G255 VanDerWaalsContact C-N 3.29Å; L253-G255 PolarHBondContact O-N 3.47Å | ||
| 256 | Q | 91.3 | Very high | 94.3 | Very high | 151 Ų | 151 | 45.1 Ų | 45.1 | 71% | 0.706 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -96.3 | -17.9 | -177.9 | -59.8 | -60.3 | -35 | 0 | 0 | 113.1 | P254 H260 | P254-Q256 PolarHBondContact O-NE2 2.83Å; Q256-H260 PolarHBondContact N-ND1 2.8Å |
| 257 | S | 91.5 | Very high | 94.2 | Very high | 56 Ų | 56 | 48 Ų | 48 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -144 | 164.4 | 175.5 | 70.8 | 0 | 0 | 0 | 0 | 108.5 | L216 M259 H260 Q261 | L216-S257 VanDerWaalsContact CD1-C 3.45Å; S257-M259 PolarHBondContact O-N 3.44Å; S257-H260 PolarHBondContact O-N 3.28Å; S257-H260 WeakPolarHBondContact OG-CB 3.35Å; S257-H260 PolarHBondContact OG-N 2.79Å; S257-Q261 WeakPolarHBondContact O-CB 3.37Å; S257-Q261 PolarHBondContact O-N 3Å |
| 258 | Q | 89.9 | Confident | 94.1 | Very high | 60 Ų | 60 | 46.3 Ų | 46.3 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.1 | -41.8 | 176.2 | -65.6 | -174.6 | 6.7 | 0 | 0 | 111.2 | N212 L216 L224 Q261 I262 | N212-Q258 PolarHBondContact OD1-NE2 2.97Å; L216-Q258 HydrophobicContact CD2-CG 4.12Å; L224-Q258 HydrophobicContact CD2-CB 4.49Å; L224-Q258 HydrophobicContact CD2-CG 4.41Å; Q258-Q261 WeakPolarHBondContact O-CB 3.15Å; Q258-Q261 PolarHBondContact O-N 3.35Å; Q258-I262 WeakPolarHBondContact O-CG1 3.36Å; Q258-I262 PolarHBondContact O-N 3.15Å |
| 259 | M | 90.8 | Very high | 94.1 | Very high | 88 Ų | 88 | 44.8 Ų | 44.8 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.8 | -47.9 | 177.1 | -171.9 | 59.1 | 69.7 | 0 | 0 | 111.8 | S257 Q261 I262 Q263 F289 | S257-M259 PolarHBondContact O-N 3.44Å; M259-Q261 VanDerWaalsContact C-N 3.28Å; M259-Q261 PolarHBondContact O-N 3.24Å; M259-I262 PolarHBondContact O-N 2.92Å; M259-I262 VanDerWaalsContact O-N 3.16Å; M259-Q263 PolarHBondContact O-N 3.29Å; M259-F289 HydrophobicContact CE-CB 3.55Å; M259-F289 HydrophobicContact CE-CD1 3.48Å; M259-F289 VanDerWaalsContact CE-CD1 3.48Å; M259-F289 HydrophobicContact CE-CD2 3.53Å; M259-F289 HydrophobicContact CE-CE1 4.01Å; M259-F289 HydrophobicContact CE-CE2 4.08Å; M259-F289 HydrophobicContact CE-CG 3.22Å; M259-F289 HydrophobicContact CE-CZ 4.31Å; M259-F289 HydrophobicContact SD-CD2 3.75Å; M259-F289 HydrophobicContact SD-CE2 4.05Å; M259-F289 HydrophobicContact SD-CG 4.1Å |
| 260 | H | 93.3 | Very high | 94.1 | Very high | 67 Ų | 67 | 42.8 Ų | 42.8 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.6 | -37.6 | 178 | -177.4 | -161.3 | 0 | 0 | 0 | 111.2 | Q256 S257 I262 Q263 L264 | Q256-H260 PolarHBondContact N-ND1 2.8Å; S257-H260 PolarHBondContact O-N 3.28Å; S257-H260 WeakPolarHBondContact OG-CB 3.35Å; S257-H260 PolarHBondContact OG-N 2.79Å; H260-I262 PolarHBondContact O-N 3.03Å; H260-Q263 PolarHBondContact O-N 3.04Å; H260-L264 WeakPolarHBondContact O-CG 3.38Å; H260-L264 PolarHBondContact O-N 3.39Å |
| 261 | Q | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 174.8 | -170.7 | 68.4 | 30.9 | 0 | 0 | 111.7 | L216 W217 L224 L253 S257 Q258 M259 Q263 L264 M265 | L216-Q261 HydrophobicContact CB-CG 4.42Å; W217-Q261 PolarHBondContact O-NE2 2.92Å; L224-Q261 HydrophobicContact CD1-CB 4.05Å; L224-Q261 HydrophobicContact CD1-CG 3.57Å; L253-Q261 VanDerWaalsContact CB-NE2 3.32Å; L253-Q261 PolarHBondContact O-NE2 3.33Å; L253-Q261 PolarHBondContact O-OE1 3.18Å; S257-Q261 WeakPolarHBondContact O-CB 3.37Å; S257-Q261 PolarHBondContact O-N 3Å; Q258-Q261 WeakPolarHBondContact O-CB 3.15Å; Q258-Q261 PolarHBondContact O-N 3.35Å; M259-Q261 VanDerWaalsContact C-N 3.28Å; M259-Q261 PolarHBondContact O-N 3.24Å; Q261-Q263 VanDerWaalsContact C-N 3.34Å; Q261-L264 PolarHBondContact O-N 3.38Å; Q261-M265 HydrophobicContact CG-CE 4.11Å; Q261-M265 WeakPolarHBondContact O-CG 3.37Å; Q261-M265 PolarHBondContact O-N 3.42Å; Q261-M265 VanDerWaalsContact O-N 3.08Å |
| 262 | I | 93.8 | Very high | 94 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 176.4 | -67.2 | 170.7 | 0 | 0 | 0 | 110.6 | L224 L225 Q258 M259 H260 L264 M265 V266 F289 L291 | L224-I262 HydrophobicContact CB-CD1 4.07Å; L224-I262 HydrophobicContact CB-CG1 3.96Å; L224-I262 HydrophobicContact CD1-CG1 3.92Å; L225-I262 HydrophobicContact CD2-CD1 3.93Å; Q258-I262 WeakPolarHBondContact O-CG1 3.36Å; Q258-I262 PolarHBondContact O-N 3.15Å; M259-I262 PolarHBondContact O-N 2.92Å; M259-I262 VanDerWaalsContact O-N 3.16Å; H260-I262 PolarHBondContact O-N 3.03Å; I262-L264 PolarHBondContact O-N 3.44Å; I262-M265 WeakPolarHBondContact O-CB 3.17Å; I262-M265 PolarHBondContact O-N 2.77Å; I262-M265 VanDerWaalsContact O-N 3.12Å; I262-V266 HydrophobicContact CG2-CG2 4.38Å; I262-V266 WeakPolarHBondContact O-CG2 3.34Å; I262-V266 PolarHBondContact O-N 3.34Å; I262-F289 HydrophobicContact CD1-CE1 4.39Å; I262-F289 HydrophobicContact CD1-CE2 4.05Å; I262-F289 HydrophobicContact CD1-CZ 3.51Å; I262-F289 HydrophobicContact CG2-CE2 4.33Å; I262-L291 HydrophobicContact CG2-CD2 3.43Å; I262-L291 VanDerWaalsContact CG2-CD2 3.43Å |
| 263 | Q | 93.8 | Very high | 93.8 | Very high | 69 Ų | 69 | 37.4 Ų | 37.4 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 177.9 | -168.4 | 174 | 10.3 | 0 | 0 | 111.8 | M259 H260 Q261 M265 V266 N267 E292 | M259-Q263 PolarHBondContact O-N 3.29Å; H260-Q263 PolarHBondContact O-N 3.04Å; Q261-Q263 VanDerWaalsContact C-N 3.34Å; Q263-M265 VanDerWaalsContact C-N 3.3Å; Q263-M265 PolarHBondContact O-N 3.36Å; Q263-V266 PolarHBondContact O-N 3.49Å; Q263-N267 WeakPolarHBondContact O-CB 3.16Å; Q263-N267 PolarHBondContact O-N 3.39Å; Q263-N267 PolarHBondContact O-ND2 3.25Å; Q263-E292 WeakPolarHBondContact CG-OE2 3.29Å; Q263-E292 PolarHBondContact NE2-OE1 2.88Å; Q263-E292 PolarHBondContact NE2-OE2 3.34Å |
| 264 | L | 95.5 | Very high | 93.6 | Very high | 38 Ų | 38 | 41.1 Ų | 41.1 | 20% | 0.199 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.4 | -41 | 173.3 | -70.5 | 172.1 | 0 | 0 | 0 | 111.9 | L253 H260 Q261 I262 T268 | L253-L264 HydrophobicContact CD2-CB 4.03Å; H260-L264 WeakPolarHBondContact O-CG 3.38Å; H260-L264 PolarHBondContact O-N 3.39Å; Q261-L264 PolarHBondContact O-N 3.38Å; I262-L264 PolarHBondContact O-N 3.44Å; L264-T268 VanDerWaalsContact O-CB 3.3Å; L264-T268 WeakPolarHBondContact O-CB 3.43Å; L264-T268 PolarHBondContact O-N 3.32Å; L264-T268 VanDerWaalsContact O-N 3.08Å; L264-T268 PolarHBondContact O-OG1 3.42Å |
| 265 | M | 95.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | 175.5 | -67.6 | 177.4 | 179.4 | 0 | 0 | 111.7 | R219 P221 L224 W237 L253 Q261 I262 Q263 N267 T268 F269 Y320 | R219-M265 WeakPolarHBondContact O-CE 3.19Å; P221-M265 HydrophobicContact CB-SD 4.12Å; L224-M265 HydrophobicContact CD1-CE 3.41Å; L224-M265 VanDerWaalsContact CD1-CE 3.41Å; L224-M265 HydrophobicContact CD1-SD 3.95Å; W237-M265 HydrophobicContact CH2-SD 4.37Å; W237-M265 HydrophobicContact CZ2-CE 3.7Å; W237-M265 HydrophobicContact CZ2-CG 4Å; W237-M265 HydrophobicContact CZ2-SD 3.82Å; L253-M265 HydrophobicContact CD1-CG 4.26Å; Q261-M265 HydrophobicContact CG-CE 4.11Å; Q261-M265 WeakPolarHBondContact O-CG 3.37Å; Q261-M265 PolarHBondContact O-N 3.42Å; Q261-M265 VanDerWaalsContact O-N 3.08Å; I262-M265 WeakPolarHBondContact O-CB 3.17Å; I262-M265 PolarHBondContact O-N 2.77Å; I262-M265 VanDerWaalsContact O-N 3.12Å; Q263-M265 VanDerWaalsContact C-N 3.3Å; Q263-M265 PolarHBondContact O-N 3.36Å; M265-N267 VanDerWaalsContact C-N 3.35Å; M265-N267 PolarHBondContact O-N 3.25Å; M265-T268 PolarHBondContact O-N 2.88Å; M265-T268 VanDerWaalsContact O-N 3.15Å; M265-F269 HydrophobicContact CB-CD2 4.13Å; M265-F269 HydrophobicContact CB-CE2 4.38Å; M265-F269 HydrophobicContact CG-CE2 4.39Å; M265-F269 VanDerWaalsContact O-CD2 3.24Å; M265-F269 WeakPolarHBondContact O-CD2 3.46Å; M265-F269 PolarHBondContact O-N 2.92Å; M265-Y320 PolarHBondContact O-OH 2.84Å |
| 266 | V | 95.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 179.8 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | I262 Q263 T268 G270 T271 L291 E292 Q294 | I262-V266 HydrophobicContact CG2-CG2 4.38Å; I262-V266 WeakPolarHBondContact O-CG2 3.34Å; I262-V266 PolarHBondContact O-N 3.34Å; Q263-V266 PolarHBondContact O-N 3.49Å; V266-T268 PolarHBondContact O-N 3Å; V266-G270 CarbonylContact O-C 3.44Å; V266-G270 WeakPolarHBondContact O-CA 3.34Å; V266-G270 PolarHBondContact O-N 3.33Å; V266-T271 WeakPolarHBondContact CG1-OG1 3.35Å; V266-L291 HydrophobicContact CG2-CD2 4.1Å; V266-E292 HydrophobicContact CG1-CB 4.46Å; V266-E292 WeakPolarHBondContact CG1-O 3.31Å; V266-Q294 HydrophobicContact CG1-CB 3.81Å; V266-Q294 WeakPolarHBondContact O-CG 3.25Å |
| 267 | N | 94.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 40.1 Ų | 40.1 | 33% | 0.326 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.2 | -30.8 | 177.6 | -70.7 | -15.8 | 0 | 0 | 0 | 112.9 | Q263 M265 T298 | Q263-N267 WeakPolarHBondContact O-CB 3.16Å; Q263-N267 PolarHBondContact O-N 3.39Å; Q263-N267 PolarHBondContact O-ND2 3.25Å; M265-N267 VanDerWaalsContact C-N 3.35Å; M265-N267 PolarHBondContact O-N 3.25Å; N267-T298 PolarHBondContact O-OG1 3.49Å; N267-T298 VanDerWaalsContact O-OG1 3.04Å |
| 268 | T | 95.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 8% | 0.08 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -86.5 | -46.6 | -177 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | F252 L264 M265 V266 T298 I302 | F252-T268 HydrophobicContact CE2-CG2 4.22Å; F252-T268 HydrophobicContact CZ-CG2 3.73Å; L264-T268 VanDerWaalsContact O-CB 3.3Å; L264-T268 WeakPolarHBondContact O-CB 3.43Å; L264-T268 PolarHBondContact O-N 3.32Å; L264-T268 VanDerWaalsContact O-N 3.08Å; L264-T268 PolarHBondContact O-OG1 3.42Å; M265-T268 PolarHBondContact O-N 2.88Å; M265-T268 VanDerWaalsContact O-N 3.15Å; V266-T268 PolarHBondContact O-N 3Å; T268-T298 VanDerWaalsContact CA-OG1 3.28Å; T268-T298 WeakPolarHBondContact CA-OG1 3.34Å; T268-T298 PolarHBondContact O-N 3.47Å; T268-T298 PolarHBondContact O-OG1 2.73Å; T268-T298 VanDerWaalsContact O-OG1 3.04Å; T268-I302 HydrophobicContact CG2-CD1 3.78Å |
| 269 | F | 95.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -107.1 | -10.1 | -169.2 | -51.4 | -61.3 | 0 | 0 | 0 | 113.9 | W237 F252 L253 M265 N297 L299 F318 Y320 | W237-F269 AromaticContact CH2-CD2 3.78Å; W237-F269 HydrophobicContact CH2-CD2 3.78Å; W237-F269 AromaticContact CH2-CE2 3.51Å; W237-F269 HydrophobicContact CH2-CE2 3.51Å; W237-F269 HydrophobicContact CH2-CZ 4.26Å; W237-F269 HydrophobicContact CZ2-CD2 4.26Å; W237-F269 AromaticContact CZ2-CE2 3.6Å; W237-F269 HydrophobicContact CZ2-CE2 3.6Å; W237-F269 HydrophobicContact CZ2-CZ 4.31Å; F252-F269 HydrophobicContact CE1-CE1 4.35Å; F252-F269 AromaticContact CE1-CZ 3.83Å; F252-F269 HydrophobicContact CE1-CZ 3.83Å; F252-F269 HydrophobicContact CZ-CE1 4.27Å; F252-F269 HydrophobicContact CZ-CZ 4.1Å; L253-F269 HydrophobicContact CD1-CE2 3.99Å; L253-F269 HydrophobicContact CD1-CZ 4.23Å; M265-F269 HydrophobicContact CB-CD2 4.13Å; M265-F269 HydrophobicContact CB-CE2 4.38Å; M265-F269 HydrophobicContact CG-CE2 4.39Å; M265-F269 VanDerWaalsContact O-CD2 3.24Å; M265-F269 WeakPolarHBondContact O-CD2 3.46Å; M265-F269 PolarHBondContact O-N 2.92Å; F269-N297 PolarHBondContact O-ND2 2.77Å; F269-L299 HydrophobicContact CD1-CD1 3.75Å; F269-L299 HydrophobicContact CD1-CG 4Å; F269-L299 HydrophobicContact CE1-CD1 3.74Å; F269-L299 HydrophobicContact CE1-CD2 4.04Å; F269-L299 HydrophobicContact CE1-CG 3.87Å; F269-F318 HydrophobicContact CD1-CB 4.05Å; F269-F318 HydrophobicContact CD1-CG 4.34Å; F269-F318 HydrophobicContact CE1-CB 3.72Å; F269-F318 HydrophobicContact CE1-CD1 4.06Å; F269-F318 AromaticContact CE1-CD2 3.55Å; F269-F318 HydrophobicContact CE1-CD2 3.55Å; F269-F318 HydrophobicContact CE1-CE2 4.11Å; F269-F318 AromaticContact CE1-CG 3.51Å; F269-F318 HydrophobicContact CE1-CG 3.51Å; F269-F318 HydrophobicContact CE2-CD1 4.27Å; F269-F318 HydrophobicContact CE2-CG 4.45Å; F269-F318 HydrophobicContact CZ-CB 4.02Å; F269-F318 AromaticContact CZ-CD1 3.6Å; F269-F318 HydrophobicContact CZ-CD1 3.6Å; F269-F318 AromaticContact CZ-CD2 3.88Å; F269-F318 HydrophobicContact CZ-CD2 3.88Å; F269-F318 AromaticContact CZ-CE1 3.93Å; F269-F318 HydrophobicContact CZ-CE1 3.93Å; F269-F318 HydrophobicContact CZ-CE2 4.19Å; F269-F318 AromaticContact CZ-CG 3.57Å; F269-F318 HydrophobicContact CZ-CG 3.57Å; F269-F318 HydrophobicContact CZ-CZ 4.19Å; F269-Y320 HydrophobicContact CB-CE2 3.9Å |
| 270 | G | 94.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | trans | 89.8 | 162.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V266 Q294 Y320 | V266-G270 CarbonylContact O-C 3.44Å; V266-G270 WeakPolarHBondContact O-CA 3.34Å; V266-G270 PolarHBondContact O-N 3.33Å; G270-Q294 CarbonylContact C-O 3.33Å; G270-Q294 VanDerWaalsContact CA-O 3.23Å; G270-Q294 WeakPolarHBondContact CA-O 3.39Å; G270-Y320 WeakPolarHBondContact O-CE2 3.48Å; G270-Y320 PolarHBondContact O-OH 2.99Å | ||
| 271 | T | 93.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | trans | -72.3 | 124.9 | -179.9 | -50.7 | 0 | 0 | 0 | 0 | 110.5 | V266 L291 E292 Q294 | V266-T271 WeakPolarHBondContact CG1-OG1 3.35Å; T271-L291 HydrophobicContact CG2-CB 3.9Å; T271-L291 HydrophobicContact CG2-CD1 4.25Å; T271-E292 WeakPolarHBondContact CG2-O 3.44Å; T271-E292 PolarHBondContact OG1-O 2.86Å; T271-Q294 PolarHBondContact N-O 3.47Å; T271-Q294 PolarHBondContact OG1-N 2.85Å; T271-Q294 PolarHBondContact OG1-O 3.1Å | ||
| 272 | P | 92.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.045 | 25% | 0.253 | C | S | . | . | trans | -65.9 | 141.5 | 173 | 28 | -33.8 | 0 | 0 | 0 | 110.3 | L280 L291 Y320 | P272-L280 HydrophobicContact CB-CD1 4.35Å; P272-L280 HydrophobicContact CB-CD2 3.93Å; P272-L280 HydrophobicContact CG-CD1 4.21Å; P272-L280 HydrophobicContact CG-CD2 4.09Å; P272-L280 WeakPolarHBondContact O-CD2 3.44Å; P272-L291 HydrophobicContact CG-CD1 3.76Å; P272-Y320 HydrophobicContact CB-CD1 3.95Å; P272-Y320 HydrophobicContact CB-CD2 3.88Å; P272-Y320 HydrophobicContact CB-CE1 4.21Å; P272-Y320 HydrophobicContact CB-CE2 4.14Å; P272-Y320 HydrophobicContact CB-CG 3.78Å; P272-Y320 HydrophobicContact CG-CD1 4.08Å; P272-Y320 HydrophobicContact CG-CE1 3.95Å; P272-Y320 HydrophobicContact CG-CE2 4.44Å; P272-Y320 HydrophobicContact CG-CG 4.4Å | ||
| 273 | T | 92.2 | Very high | 93.2 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 40% | 0.399 | 25% | 0.254 | S | S | . | . | trans | -121.5 | 166.7 | 175.7 | 65.3 | 0 | 0 | 0 | 0 | 110 | A275 I276 W277 | T273-A275 PolarHBondContact O-N 3.31Å; T273-I276 PolarHBondContact O-N 3.15Å; T273-W277 PolarHBondContact O-N 3.27Å | ||
| 274 | E | 93.2 | Very high | 93 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.3 | 173.4 | -77 | -64.2 | 152.4 | 0 | 0 | 113.2 | W277 P278 G279 L280 S281 | E274-W277 CarbonylContact O-C 3.49Å; E274-P278 WeakPolarHBondContact O-CA 3.39Å; E274-G279 PolarHBondContact OE2-N 2.76Å; E274-L280 PolarHBondContact OE1-N 3.43Å; E274-S281 WeakPolarHBondContact OE1-CA 3.15Å; E274-S281 WeakPolarHBondContact OE1-CB 3.43Å; E274-S281 PolarHBondContact OE1-N 3.23Å; E274-S281 PolarHBondContact OE1-OG 2.86Å |
| 275 | A | 93.1 | Very high | 92.5 | Very high | 88 Ų | 88 | 41.5 Ų | 41.5 | 73% | 0.727 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -37.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | T273 | T273-A275 PolarHBondContact O-N 3.31Š|
| 276 | I | 92.4 | Very high | 92.1 | Very high | 78 Ų | 78 | 43 Ų | 43 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -47.1 | -179.5 | -63.2 | 170.6 | 0 | 0 | 0 | 110.2 | T273 Y320 | T273-I276 PolarHBondContact O-N 3.15Å; I276-Y320 HydrophobicContact CG2-CD2 4.4Å |
| 277 | W | 94.3 | Very high | 91.6 | Very high | 15 Ų | 15 | 52.4 Ų | 52.4 | 6% | 0.057 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -129 | 91.3 | -178.6 | -174.8 | 3.3 | 0 | 0 | 0 | 110.5 | P221 E222 L225 T273 E274 G279 L280 L283 Y320 D321 P322 | P221-W277 HydrophobicContact CB-CZ3 4.22Å; E222-W277 HydrophobicContact CB-CH2 3.81Å; E222-W277 HydrophobicContact CB-CZ2 4.01Å; L225-W277 HydrophobicContact CD1-CH2 4.05Å; L225-W277 HydrophobicContact CD1-CZ3 3.67Å; T273-W277 PolarHBondContact O-N 3.27Å; E274-W277 CarbonylContact O-C 3.49Å; W277-G279 PolarHBondContact O-N 2.76Å; W277-L280 HydrophobicContact CB-CB 4.42Å; W277-L280 HydrophobicContact CD2-CD1 4.16Å; W277-L280 HydrophobicContact CE3-CD1 3.58Å; W277-L280 HydrophobicContact CG-CB 4.48Å; W277-L280 HydrophobicContact CZ3-CD1 3.94Å; W277-L280 VanDerWaalsContact O-CB 3.26Å; W277-L280 WeakPolarHBondContact O-CB 3.33Å; W277-L280 PolarHBondContact O-N 2.72Å; W277-L280 VanDerWaalsContact O-N 3.12Å; W277-L283 HydrophobicContact CE3-CD1 4.49Å; W277-L283 HydrophobicContact CH2-CD1 3.39Å; W277-L283 HydrophobicContact CZ2-CD1 3.56Å; W277-L283 HydrophobicContact CZ2-CD2 4.43Å; W277-L283 HydrophobicContact CZ3-CD1 3.91Å; W277-Y320 HydrophobicContact CE3-CD1 4.49Å; W277-D321 HydrophobicContact CB-CB 4.25Å; W277-D321 HydrophobicContact CG-CB 4.17Å; W277-P322 HydrophobicContact CZ2-CG 4.31Å |
| 278 | P | 93.8 | Very high | 91.1 | Very high | 78 Ų | 78 | 54.8 Ų | 54.8 | 51% | 0.506 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 126.3 | 177.3 | -25.5 | 35.4 | 0 | 0 | 0 | 111.8 | E274 | E274-P278 WeakPolarHBondContact O-CA 3.39Š|
| 279 | G | 91.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 6.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | E274 W277 S281 K282 | E274-G279 PolarHBondContact OE2-N 2.76Å; W277-G279 PolarHBondContact O-N 2.76Å; G279-S281 VanDerWaalsContact C-N 3.35Å; G279-S281 PolarHBondContact O-N 2.81Å; G279-K282 WeakPolarHBondContact O-CB 3.26Å; G279-K282 PolarHBondContact O-N 2.76Å |
| 280 | L | 92 | Very high | 90.1 | Very high | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -49.5 | -52 | 175.3 | 176.6 | 70.9 | 0 | 0 | 0 | 112.1 | L225 P272 E274 W277 K282 L283 L286 | L225-L280 HydrophobicContact CD1-CD1 3.94Å; P272-L280 HydrophobicContact CB-CD1 4.35Å; P272-L280 HydrophobicContact CB-CD2 3.93Å; P272-L280 HydrophobicContact CG-CD1 4.21Å; P272-L280 HydrophobicContact CG-CD2 4.09Å; P272-L280 WeakPolarHBondContact O-CD2 3.44Å; E274-L280 PolarHBondContact OE1-N 3.43Å; W277-L280 HydrophobicContact CB-CB 4.42Å; W277-L280 HydrophobicContact CD2-CD1 4.16Å; W277-L280 HydrophobicContact CE3-CD1 3.58Å; W277-L280 HydrophobicContact CG-CB 4.48Å; W277-L280 HydrophobicContact CZ3-CD1 3.94Å; W277-L280 VanDerWaalsContact O-CB 3.26Å; W277-L280 WeakPolarHBondContact O-CB 3.33Å; W277-L280 PolarHBondContact O-N 2.72Å; W277-L280 VanDerWaalsContact O-N 3.12Å; L280-K282 PolarHBondContact O-N 3.48Å; L280-L283 HydrophobicContact CD1-CD1 4.02Å; L280-L283 VanDerWaalsContact O-CB 3.25Å; L280-L283 WeakPolarHBondContact O-CB 3.29Å; L280-L283 VanDerWaalsContact O-CG 3.27Å; L280-L283 WeakPolarHBondContact O-CG 3.36Å; L280-L283 PolarHBondContact O-N 3.22Å; L280-L286 HydrophobicContact CD1-CD1 3.74Å; L280-L286 HydrophobicContact CG-CD1 3.73Å; L280-L286 WeakPolarHBondContact O-CD1 3.49Å |
| 281 | S | 89.2 | Confident | 89.7 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -57.6 | -19.6 | 178.4 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | E274 G279 | E274-S281 WeakPolarHBondContact OE1-CA 3.15Å; E274-S281 WeakPolarHBondContact OE1-CB 3.43Å; E274-S281 PolarHBondContact OE1-N 3.23Å; E274-S281 PolarHBondContact OE1-OG 2.86Å; G279-S281 VanDerWaalsContact C-N 3.35Å; G279-S281 PolarHBondContact O-N 2.81Å |
| 282 | K | 90.4 | Very high | 89.4 | Confident | 164 Ų | 164 | 66 Ų | 66 | 71% | 0.713 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -85.8 | -10.2 | 178.9 | -58.6 | -179.7 | -177.8 | 175.1 | 0 | 112.7 | G279 L280 | G279-K282 WeakPolarHBondContact O-CB 3.26Å; G279-K282 PolarHBondContact O-N 2.76Å; L280-K282 PolarHBondContact O-N 3.48Å |
| 283 | L | 89.6 | Confident | 89.1 | Confident | 17 Ų | 17 | 73.5 Ų | 73.5 | 9% | 0.089 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -67.3 | 135.8 | -178.3 | -65.8 | 176.6 | 0 | 0 | 0 | 111.2 | L225 W277 L280 A285 L286 | L225-L283 HydrophobicContact CB-CB 4.23Å; L225-L283 HydrophobicContact CB-CD1 3.66Å; L225-L283 HydrophobicContact CB-CG 4.5Å; L225-L283 HydrophobicContact CD1-CD1 3.7Å; L225-L283 HydrophobicContact CG-CD1 4.34Å; W277-L283 HydrophobicContact CE3-CD1 4.49Å; W277-L283 HydrophobicContact CH2-CD1 3.39Å; W277-L283 HydrophobicContact CZ2-CD1 3.56Å; W277-L283 HydrophobicContact CZ2-CD2 4.43Å; W277-L283 HydrophobicContact CZ3-CD1 3.91Å; L280-L283 HydrophobicContact CD1-CD1 4.02Å; L280-L283 VanDerWaalsContact O-CB 3.25Å; L280-L283 WeakPolarHBondContact O-CB 3.29Å; L280-L283 VanDerWaalsContact O-CG 3.27Å; L280-L283 WeakPolarHBondContact O-CG 3.36Å; L280-L283 PolarHBondContact O-N 3.22Å; L283-A285 VanDerWaalsContact C-N 3.35Å; L283-A285 PolarHBondContact O-N 2.89Å; L283-L286 PolarHBondContact O-N 2.83Å |
| 284 | P | 88.9 | Confident | 88.9 | Confident | 40 Ų | 40 | 71.9 Ų | 71.9 | 26% | 0.26 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -58.1 | -41.6 | -171.8 | -25.5 | 34 | 0 | 0 | 0 | 114.3 | L225 E226 L286 R287 | L225-P284 WeakPolarHBondContact O-CD 3.44Å; E226-P284 HydrophobicContact CB-CB 4.07Å; E226-P284 HydrophobicContact CB-CG 4.1Å; E226-P284 VanDerWaalsContact O-CD 3.31Å; E226-P284 WeakPolarHBondContact O-CD 3.39Å; E226-P284 WeakPolarHBondContact O-CG 3.38Å; P284-L286 VanDerWaalsContact C-N 3.3Å; P284-L286 PolarHBondContact O-N 3.24Å; P284-R287 WeakPolarHBondContact O-CB 3.4Å; P284-R287 WeakPolarHBondContact O-CG 3.49Å; P284-R287 PolarHBondContact O-N 3.37Å; P284-R287 VanDerWaalsContact O-N 3.16Å |
| 285 | A | 85.6 | Confident | 88.4 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 7% | 0.074 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -65 | -33.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | L225 E226 L283 R287 S288 F289 | L225-A285 HydrophobicContact CB-CB 4.46Å; L225-A285 HydrophobicContact CD2-CB 4.26Å; E226-A285 HydrophobicContact CG-CB 4.26Å; L283-A285 VanDerWaalsContact C-N 3.35Å; L283-A285 PolarHBondContact O-N 2.89Å; A285-R287 PolarHBondContact O-N 3.32Å; A285-R287 VanDerWaalsContact O-N 3.14Å; A285-S288 PolarHBondContact O-N 3.26Å; A285-F289 HydrophobicContact CB-CE1 3.83Å; A285-F289 HydrophobicContact CB-CZ 4.33Å; A285-F289 WeakPolarHBondContact O-CD1 3.24Å; A285-F289 WeakPolarHBondContact O-CE1 3.31Å |
| 286 | L | 87 | Confident | 88 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 18% | 0.183 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -71.9 | -3.7 | 179.7 | -68.2 | 178.2 | 0 | 0 | 0 | 113.8 | L225 L280 L283 P284 S288 F289 L291 | L225-L286 HydrophobicContact CD2-CD2 4.02Å; L225-L286 HydrophobicContact CD2-CG 4.1Å; L280-L286 HydrophobicContact CD1-CD1 3.74Å; L280-L286 HydrophobicContact CG-CD1 3.73Å; L280-L286 WeakPolarHBondContact O-CD1 3.49Å; L283-L286 PolarHBondContact O-N 2.83Å; P284-L286 VanDerWaalsContact C-N 3.3Å; P284-L286 PolarHBondContact O-N 3.24Å; L286-S288 VanDerWaalsContact C-N 3.27Å; L286-F289 HydrophobicContact CD2-CD2 4.44Å; L286-F289 HydrophobicContact CD2-CE2 3.85Å; L286-F289 HydrophobicContact CD2-CZ 4.01Å; L286-L291 HydrophobicContact CD2-CD1 4.03Å; L286-L291 HydrophobicContact CD2-CD2 4.1Å; L286-L291 HydrophobicContact CD2-CG 3.76Å |
| 287 | R | 84.8 | Confident | 87.8 | Confident | 202 Ų | 202 | 75.5 Ų | 75.5 | 76% | 0.762 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -75.4 | -20.7 | 168.5 | -60.2 | 178.8 | -178 | -173.2 | -1.8 | 112.3 | P284 A285 | P284-R287 WeakPolarHBondContact O-CB 3.4Å; P284-R287 WeakPolarHBondContact O-CG 3.49Å; P284-R287 PolarHBondContact O-N 3.37Å; P284-R287 VanDerWaalsContact O-N 3.16Å; A285-R287 PolarHBondContact O-N 3.32Å; A285-R287 VanDerWaalsContact O-N 3.14Å |
| 288 | S | 83.5 | Confident | 87.7 | Confident | 111 Ų | 111 | 75.8 Ų | 75.8 | 78% | 0.776 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -16.8 | -173.7 | -59.5 | 0 | 0 | 0 | 0 | 113.6 | A285 L286 | A285-S288 PolarHBondContact O-N 3.26Å; L286-S288 VanDerWaalsContact C-N 3.27Å |
| 289 | F | 85.2 | Confident | 87.6 | Confident | 42 Ų | 42 | 72.1 Ų | 72.1 | 18% | 0.184 | 38% | 0.381 | C | S | . | . | trans | -154 | 161.1 | 177.9 | 67 | -85.9 | 0 | 0 | 0 | 111.8 | L225 M259 I262 A285 L286 L291 | L225-F289 HydrophobicContact CD2-CZ 3.85Å; M259-F289 HydrophobicContact CE-CB 3.55Å; M259-F289 HydrophobicContact CE-CD1 3.48Å; M259-F289 VanDerWaalsContact CE-CD1 3.48Å; M259-F289 HydrophobicContact CE-CD2 3.53Å; M259-F289 HydrophobicContact CE-CE1 4.01Å; M259-F289 HydrophobicContact CE-CE2 4.08Å; M259-F289 HydrophobicContact CE-CG 3.22Å; M259-F289 HydrophobicContact CE-CZ 4.31Å; M259-F289 HydrophobicContact SD-CD2 3.75Å; M259-F289 HydrophobicContact SD-CE2 4.05Å; M259-F289 HydrophobicContact SD-CG 4.1Å; I262-F289 HydrophobicContact CD1-CE1 4.39Å; I262-F289 HydrophobicContact CD1-CE2 4.05Å; I262-F289 HydrophobicContact CD1-CZ 3.51Å; I262-F289 HydrophobicContact CG2-CE2 4.33Å; A285-F289 HydrophobicContact CB-CE1 3.83Å; A285-F289 HydrophobicContact CB-CZ 4.33Å; A285-F289 WeakPolarHBondContact O-CD1 3.24Å; A285-F289 WeakPolarHBondContact O-CE1 3.31Å; L286-F289 HydrophobicContact CD2-CD2 4.44Å; L286-F289 HydrophobicContact CD2-CE2 3.85Å; L286-F289 HydrophobicContact CD2-CZ 4.01Å; F289-L291 HydrophobicContact CE2-CD2 3.87Å | ||
| 290 | S | 84.2 | Confident | 87.7 | Confident | 115 Ų | 115 | 78.2 Ų | 78.2 | 80% | 0.804 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -103.8 | 147.3 | 173.3 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 291 | L | 86.9 | Confident | 87.7 | Confident | 31 Ų | 31 | 82.5 Ų | 82.5 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 141.1 | 174.2 | -62.5 | 170 | 0 | 0 | 0 | 110.1 | I262 V266 T271 P272 L286 F289 | I262-L291 HydrophobicContact CG2-CD2 3.43Å; I262-L291 VanDerWaalsContact CG2-CD2 3.43Å; V266-L291 HydrophobicContact CG2-CD2 4.1Å; T271-L291 HydrophobicContact CG2-CB 3.9Å; T271-L291 HydrophobicContact CG2-CD1 4.25Å; P272-L291 HydrophobicContact CG-CD1 3.76Å; L286-L291 HydrophobicContact CD2-CD1 4.03Å; L286-L291 HydrophobicContact CD2-CD2 4.1Å; L286-L291 HydrophobicContact CD2-CG 3.76Å; F289-L291 HydrophobicContact CE2-CD2 3.87Å |
| 292 | E | 87.5 | Confident | 88 | Confident | 98 Ų | 98 | 81.6 Ų | 81.6 | 46% | 0.458 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 153.3 | 168.8 | -66.5 | -175.9 | 166.5 | 0 | 0 | 110.5 | Q263 V266 T271 | Q263-E292 WeakPolarHBondContact CG-OE2 3.29Å; Q263-E292 PolarHBondContact NE2-OE1 2.88Å; Q263-E292 PolarHBondContact NE2-OE2 3.34Å; V266-E292 HydrophobicContact CG1-CB 4.46Å; V266-E292 WeakPolarHBondContact CG1-O 3.31Å; T271-E292 WeakPolarHBondContact CG2-O 3.44Å; T271-E292 PolarHBondContact OG1-O 2.86Å |
| 293 | Q | 86.7 | Confident | 88.2 | Confident | 165 Ų | 165 | 74.2 Ų | 74.2 | 77% | 0.771 | 38% | 0.384 | S | S | * | . | trans | -91.4 | 113.5 | 178.3 | -66.3 | -63.3 | -37.2 | 0 | 0 | 109.6 | ||||
| 294 | Q | 88.1 | Confident | 88.4 | Confident | 30 Ų | 30 | 79 Ų | 79 | 14% | 0.14 | 42% | 0.415 | C | S | . | . | trans | -133.5 | 104.3 | 173.3 | 178.5 | 67.5 | -50.6 | 0 | 0 | 108.1 | V266 G270 T271 Y296 | V266-Q294 HydrophobicContact CG1-CB 3.81Å; V266-Q294 WeakPolarHBondContact O-CG 3.25Å; G270-Q294 CarbonylContact C-O 3.33Å; G270-Q294 VanDerWaalsContact CA-O 3.23Å; G270-Q294 WeakPolarHBondContact CA-O 3.39Å; T271-Q294 PolarHBondContact N-O 3.47Å; T271-Q294 PolarHBondContact OG1-N 2.85Å; T271-Q294 PolarHBondContact OG1-O 3.1Å; Q294-Y296 VanDerWaalsContact C-N 3.34Å; Q294-Y296 PolarHBondContact O-N 2.67Å | ||
| 295 | P | 82 | Confident | 88.5 | Confident | 120 Ų | 120 | 82.5 Ų | 82.5 | 78% | 0.779 | 44% | 0.44 | S | S | * | . | trans | -80 | -12.7 | -169.6 | 26.2 | -29 | 0 | 0 | 0 | 114.2 | ||||
| 296 | Y | 84.6 | Confident | 89 | Confident | 138 Ų | 138 | 82.9 Ų | 82.9 | 54% | 0.541 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -125.1 | 151.3 | -173.7 | 53.7 | -95.6 | 0 | 0 | 0 | 113.4 | Q294 T298 | Q294-Y296 VanDerWaalsContact C-N 3.34Å; Q294-Y296 PolarHBondContact O-N 2.67Å; Y296-T298 HydrophobicContact CD2-CG2 3.56Å; Y296-T298 HydrophobicContact CE2-CG2 3.49Å; Y296-T298 VanDerWaalsContact CE2-CG2 3.49Å |
| 297 | N | 88.7 | Confident | 89.4 | Confident | 64 Ų | 64 | 82.8 Ų | 82.8 | 34% | 0.342 | 44% | 0.443 | S | S | . | . | trans | -87.3 | 128.8 | 173.7 | -172.1 | -56.8 | 0 | 0 | 0 | 110 | F269 L299 | F269-N297 PolarHBondContact O-ND2 2.77Å; N297-L299 WeakPolarHBondContact OD1-CB 3.45Å; N297-L299 PolarHBondContact OD1-N 3.23Å | ||
| 298 | T | 91.3 | Very high | 90 | Very high | 22 Ų | 22 | 77 Ų | 77 | 14% | 0.135 | 44% | 0.438 | C | S | . | . | trans | -104.1 | 8.2 | -175.6 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | N267 T268 Y296 K300 T301 I302 | N267-T298 PolarHBondContact O-OG1 3.49Å; N267-T298 VanDerWaalsContact O-OG1 3.04Å; T268-T298 VanDerWaalsContact CA-OG1 3.28Å; T268-T298 WeakPolarHBondContact CA-OG1 3.34Å; T268-T298 PolarHBondContact O-N 3.47Å; T268-T298 PolarHBondContact O-OG1 2.73Å; T268-T298 VanDerWaalsContact O-OG1 3.04Å; Y296-T298 HydrophobicContact CD2-CG2 3.56Å; Y296-T298 HydrophobicContact CE2-CG2 3.49Å; Y296-T298 VanDerWaalsContact CE2-CG2 3.49Å; T298-K300 VanDerWaalsContact C-N 3.27Å; T298-K300 PolarHBondContact O-N 3.04Å; T298-T301 WeakPolarHBondContact CB-OG1 3.13Å; T298-T301 PolarHBondContact O-N 2.97Å; T298-T301 PolarHBondContact O-OG1 2.91Å; T298-I302 WeakPolarHBondContact O-CG1 3.49Å; T298-I302 PolarHBondContact O-N 3.17Å; T298-I302 VanDerWaalsContact O-N 3.08Å | ||
| 299 | L | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -53.6 | -43.6 | 177 | -87.6 | 163.7 | 0 | 0 | 0 | 112.4 | F252 F269 N297 T301 I302 F303 L311 L314 F318 | F252-L299 HydrophobicContact CZ-CD2 3.99Å; F269-L299 HydrophobicContact CD1-CD1 3.75Å; F269-L299 HydrophobicContact CD1-CG 4Å; F269-L299 HydrophobicContact CE1-CD1 3.74Å; F269-L299 HydrophobicContact CE1-CD2 4.04Å; F269-L299 HydrophobicContact CE1-CG 3.87Å; N297-L299 WeakPolarHBondContact OD1-CB 3.45Å; N297-L299 PolarHBondContact OD1-N 3.23Å; L299-T301 VanDerWaalsContact C-N 3.26Å; L299-T301 PolarHBondContact O-N 3.39Å; L299-I302 PolarHBondContact O-N 3.12Å; L299-I302 VanDerWaalsContact O-N 3.14Å; L299-F303 HydrophobicContact CD2-CD2 3.81Å; L299-F303 HydrophobicContact CD2-CE2 3.72Å; L299-F303 WeakPolarHBondContact O-CD2 3.1Å; L299-F303 PolarHBondContact O-N 3.16Å; L299-L311 HydrophobicContact CB-CD2 4.36Å; L299-L314 HydrophobicContact CD2-CD1 4.26Å; L299-F318 HydrophobicContact CD1-CD2 4.18Å; L299-F318 HydrophobicContact CD2-CD2 4.48Å; L299-F318 HydrophobicContact CD2-CE2 4.46Å |
| 300 | K | 92.9 | Very high | 91.3 | Very high | 151 Ų | 151 | 72 Ų | 72 | 66% | 0.657 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.2 | -31.6 | 179.2 | -174.2 | 176.6 | -179.6 | -176.2 | 0 | 112.7 | T298 L311 | T298-K300 VanDerWaalsContact C-N 3.27Å; T298-K300 PolarHBondContact O-N 3.04Å; K300-L311 HydrophobicContact CB-CD1 4.2Å; K300-L311 HydrophobicContact CG-CD1 3.96Å |
| 301 | T | 92.9 | Very high | 91.9 | Very high | 100 Ų | 100 | 67.3 Ų | 67.3 | 61% | 0.613 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -78.7 | -25.9 | 177.4 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | T298 L299 T304 | T298-T301 WeakPolarHBondContact CB-OG1 3.13Å; T298-T301 PolarHBondContact O-N 2.97Å; T298-T301 PolarHBondContact O-OG1 2.91Å; L299-T301 VanDerWaalsContact C-N 3.26Å; L299-T301 PolarHBondContact O-N 3.39Å; T301-T304 WeakPolarHBondContact O-CG2 3.39Å |
| 302 | I | 94.7 | Very high | 92.4 | Very high | 59 Ų | 59 | 72.8 Ų | 72.8 | 30% | 0.303 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -78.2 | -44 | 175 | -62.6 | 168 | 0 | 0 | 0 | 110.6 | L248 F252 T268 T298 L299 | L248-I302 HydrophobicContact CD1-CG2 4.07Å; L248-I302 HydrophobicContact CD2-CG2 4.06Å; F252-I302 HydrophobicContact CE2-CD1 4.12Å; F252-I302 HydrophobicContact CE2-CG2 4.34Å; T268-I302 HydrophobicContact CG2-CD1 3.78Å; T298-I302 WeakPolarHBondContact O-CG1 3.49Å; T298-I302 PolarHBondContact O-N 3.17Å; T298-I302 VanDerWaalsContact O-N 3.08Å; L299-I302 PolarHBondContact O-N 3.12Å; L299-I302 VanDerWaalsContact O-N 3.14Å |
| 303 | F | 95.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 68.2 Ų | 68.2 | 4% | 0.039 | 37% | 0.372 | C | S | . | . | trans | -105.9 | 62.2 | -175.7 | -65.2 | -79.6 | 0 | 0 | 0 | 111.5 | C244 L247 L248 F252 L299 S305 L306 L311 L314 | C244-F303 HydrophobicContact CB-CE1 4.4Å; C244-F303 HydrophobicContact CB-CE2 4.33Å; C244-F303 HydrophobicContact CB-CZ 3.58Å; C244-F303 WeakPolarHBondContact SG-CZ 3.12Å; L247-F303 HydrophobicContact CB-CD1 4.33Å; L247-F303 HydrophobicContact CB-CE1 3.83Å; L247-F303 HydrophobicContact CD1-CD1 4.27Å; L247-F303 HydrophobicContact CD1-CE1 4.12Å; L248-F303 HydrophobicContact CD1-CE1 4.07Å; L248-F303 HydrophobicContact CD1-CZ 3.71Å; L248-F303 HydrophobicContact CD2-CD1 4.36Å; L248-F303 HydrophobicContact CD2-CE1 3.86Å; L248-F303 HydrophobicContact CD2-CZ 4.26Å; L248-F303 HydrophobicContact CG-CE1 3.6Å; L248-F303 HydrophobicContact CG-CZ 3.8Å; F252-F303 HydrophobicContact CD2-CE2 4.46Å; F252-F303 HydrophobicContact CD2-CZ 4.33Å; F252-F303 AromaticContact CE2-CE2 3.83Å; F252-F303 HydrophobicContact CE2-CE2 3.83Å; F252-F303 HydrophobicContact CE2-CZ 4.14Å; F252-F303 HydrophobicContact CZ-CE2 4.17Å; L299-F303 HydrophobicContact CD2-CD2 3.81Å; L299-F303 HydrophobicContact CD2-CE2 3.72Å; L299-F303 WeakPolarHBondContact O-CD2 3.1Å; L299-F303 PolarHBondContact O-N 3.16Å; F303-S305 VanDerWaalsContact C-N 3.3Å; F303-S305 PolarHBondContact O-N 2.91Å; F303-L306 HydrophobicContact CB-CB 3.77Å; F303-L306 HydrophobicContact CB-CD2 4.07Å; F303-L306 HydrophobicContact CD1-CD2 4.48Å; F303-L306 HydrophobicContact CG-CD2 4.32Å; F303-L306 PolarHBondContact O-N 3.14Å; F303-L311 HydrophobicContact CB-CD2 4.13Å; F303-L314 HydrophobicContact CD2-CD1 3.95Å; F303-L314 HydrophobicContact CE2-CD1 4.07Å; F303-L314 HydrophobicContact CG-CD1 4.26Å; F303-L314 HydrophobicContact CZ-CD1 4.45Å | ||
| 304 | T | 92.9 | Very high | 93.5 | Very high | 119 Ų | 119 | 60.4 Ų | 60.4 | 73% | 0.73 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -28.6 | -174.5 | 57 | 0 | 0 | 0 | 0 | 114 | T301 | T301-T304 WeakPolarHBondContact O-CG2 3.39Š|
| 305 | S | 91.7 | Very high | 93.9 | Very high | 112 Ų | 112 | 62.7 Ų | 62.7 | 78% | 0.783 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -9.3 | 177.9 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | F303 | F303-S305 VanDerWaalsContact C-N 3.3Å; F303-S305 PolarHBondContact O-N 2.91Å |
| 306 | L | 95.5 | Very high | 94.7 | Very high | 17 Ų | 17 | 58.7 Ų | 58.7 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -76.5 | 138.4 | -177.6 | -170.4 | 65.6 | 0 | 0 | 0 | 110.3 | L247 F303 L311 L314 Y336 | L247-L306 HydrophobicContact CD1-CD1 4.09Å; L247-L306 HydrophobicContact CD1-CD2 4.26Å; F303-L306 HydrophobicContact CB-CB 3.77Å; F303-L306 HydrophobicContact CB-CD2 4.07Å; F303-L306 HydrophobicContact CD1-CD2 4.48Å; F303-L306 HydrophobicContact CG-CD2 4.32Å; F303-L306 PolarHBondContact O-N 3.14Å; L306-L311 HydrophobicContact CB-CG 4.48Å; L306-L311 HydrophobicContact CD2-CD2 4.25Å; L306-L311 HydrophobicContact CD2-CG 4.19Å; L306-L311 HydrophobicContact CG-CG 4.49Å; L306-L314 HydrophobicContact CD2-CD1 3.54Å; L306-L314 HydrophobicContact CD2-CG 4.22Å; L306-Y336 HydrophobicContact CD1-CE2 3.67Å |
| 307 | S | 96.7 | Very high | 95.3 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | trans | -60.7 | 161.1 | 177.1 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | N309 G310 L311 E339 | S307-N309 PolarHBondContact O-N 3.49Å; S307-G310 PolarHBondContact O-N 3.47Å; S307-G310 VanDerWaalsContact O-N 3.14Å; S307-G310 PolarHBondContact OG-N 2.81Å; S307-L311 PolarHBondContact O-N 3.47Å; S307-E339 WeakPolarHBondContact CB-OE1 3.33Å; S307-E339 PolarHBondContact OG-OE1 3.29Å | ||
| 308 | A | 96.9 | Very high | 95.7 | Very high | 81 Ų | 81 | 49.7 Ų | 49.7 | 67% | 0.669 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.1 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K312 | A308-K312 WeakPolarHBondContact O-CB 3.46Å; A308-K312 PolarHBondContact O-N 2.84Å |
| 309 | N | 97.7 | Very high | 96 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -73 | -34.9 | 177.1 | -69.8 | -45.9 | 0 | 0 | 0 | 112.1 | S307 K312 L313 V335 E339 | S307-N309 PolarHBondContact O-N 3.49Å; N309-K312 WeakPolarHBondContact O-CB 3.28Å; N309-K312 PolarHBondContact O-N 2.79Å; N309-L313 PolarHBondContact O-N 2.71Å; N309-V335 HydrophobicContact CB-CB 4.36Å; N309-E339 PolarHBondContact ND2-OE2 3.44Å |
| 310 | G | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -46.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | S307 K312 L313 L314 | S307-G310 PolarHBondContact O-N 3.47Å; S307-G310 VanDerWaalsContact O-N 3.14Å; S307-G310 PolarHBondContact OG-N 2.81Å; G310-K312 VanDerWaalsContact C-N 3.31Å; G310-K312 PolarHBondContact O-N 3.06Å; G310-L313 WeakPolarHBondContact O-CB 3.12Å; G310-L313 PolarHBondContact O-N 2.75Å; G310-L314 PolarHBondContact O-N 2.95Å |
| 311 | L | 97.4 | Very high | 96.2 | Very high | 17 Ų | 17 | 45 Ų | 45 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 173.2 | -77.8 | 170.5 | 0 | 0 | 0 | 111.8 | L299 K300 F303 L306 S307 L313 L314 H315 | L299-L311 HydrophobicContact CB-CD2 4.36Å; K300-L311 HydrophobicContact CB-CD1 4.2Å; K300-L311 HydrophobicContact CG-CD1 3.96Å; F303-L311 HydrophobicContact CB-CD2 4.13Å; L306-L311 HydrophobicContact CB-CG 4.48Å; L306-L311 HydrophobicContact CD2-CD2 4.25Å; L306-L311 HydrophobicContact CD2-CG 4.19Å; L306-L311 HydrophobicContact CG-CG 4.49Å; S307-L311 PolarHBondContact O-N 3.47Å; L311-L313 VanDerWaalsContact C-N 3.33Å; L311-L313 PolarHBondContact O-N 2.95Å; L311-L314 PolarHBondContact O-N 2.82Å; L311-H315 PolarHBondContact O-CD2 3.37Å; L311-H315 PolarHBondContact O-N 3.36Å |
| 312 | K | 97.4 | Very high | 96.3 | Very high | 145 Ų | 145 | 41.2 Ų | 41.2 | 63% | 0.63 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -59.9 | -41.7 | 175.8 | -174.2 | 178.5 | -179.6 | 179.3 | 0 | 112.1 | A308 N309 G310 H315 S316 | A308-K312 WeakPolarHBondContact O-CB 3.46Å; A308-K312 PolarHBondContact O-N 2.84Å; N309-K312 WeakPolarHBondContact O-CB 3.28Å; N309-K312 PolarHBondContact O-N 2.79Å; G310-K312 VanDerWaalsContact C-N 3.31Å; G310-K312 PolarHBondContact O-N 3.06Å; K312-H315 PolarHBondContact O-N 2.89Å; K312-S316 PolarHBondContact O-N 2.93Å; K312-S316 VanDerWaalsContact O-N 3.08Å |
| 313 | L | 98.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -51.6 | 173.3 | 174.4 | 61.4 | 0 | 0 | 0 | 110.6 | L243 N309 G310 L311 H315 S316 M317 C331 Y336 F337 | L243-L313 HydrophobicContact CD2-CD2 3.95Å; N309-L313 PolarHBondContact O-N 2.71Å; G310-L313 WeakPolarHBondContact O-CB 3.12Å; G310-L313 PolarHBondContact O-N 2.75Å; L311-L313 VanDerWaalsContact C-N 3.33Å; L311-L313 PolarHBondContact O-N 2.95Å; L313-H315 VanDerWaalsContact C-N 3.35Å; L313-H315 PolarHBondContact O-N 2.94Å; L313-S316 WeakPolarHBondContact O-CB 3.45Å; L313-S316 PolarHBondContact O-N 3.17Å; L313-S316 PolarHBondContact O-OG 2.76Å; L313-M317 HydrophobicContact CD1-CG 4.19Å; L313-M317 HydrophobicContact CD1-SD 3.96Å; L313-M317 HydrophobicContact CG-SD 3.99Å; L313-M317 WeakPolarHBondContact O-CG 3.07Å; L313-M317 PolarHBondContact O-N 3.12Å; L313-M317 VanDerWaalsContact O-N 3.08Å; L313-C331 HydrophobicContact CD1-CB 3.97Å; L313-Y336 HydrophobicContact CD2-CD1 3.63Å; L313-Y336 HydrophobicContact CD2-CE1 4.36Å; L313-Y336 HydrophobicContact CD2-CG 4.35Å; L313-F337 HydrophobicContact CD2-CE1 4.46Å; L313-F337 HydrophobicContact CD2-CE2 3.78Å; L313-F337 HydrophobicContact CD2-CZ 3.63Å |
| 314 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 179 | -65.3 | -176.5 | 0 | 0 | 0 | 111.9 | L243 L299 F303 L306 G310 L311 S316 M317 F318 | L243-L314 HydrophobicContact CD2-CD2 3.73Å; L243-L314 HydrophobicContact CG-CD2 4.04Å; L299-L314 HydrophobicContact CD2-CD1 4.26Å; F303-L314 HydrophobicContact CD2-CD1 3.95Å; F303-L314 HydrophobicContact CE2-CD1 4.07Å; F303-L314 HydrophobicContact CG-CD1 4.26Å; F303-L314 HydrophobicContact CZ-CD1 4.45Å; L306-L314 HydrophobicContact CD2-CD1 3.54Å; L306-L314 HydrophobicContact CD2-CG 4.22Å; G310-L314 PolarHBondContact O-N 2.95Å; L311-L314 PolarHBondContact O-N 2.82Å; L314-S316 VanDerWaalsContact C-N 3.25Å; L314-S316 PolarHBondContact O-N 2.87Å; L314-M317 PolarHBondContact O-N 2.87Å; L314-M317 VanDerWaalsContact O-N 3.08Å; L314-F318 HydrophobicContact CB-CD2 4.23Å; L314-F318 HydrophobicContact CB-CE2 4.27Å; L314-F318 HydrophobicContact CD2-CE2 4.18Å; L314-F318 WeakPolarHBondContact O-CD2 3.35Å; L314-F318 PolarHBondContact O-N 2.87Å |
| 315 | H | 97.1 | Very high | 96.5 | Very high | 78 Ų | 78 | 43.1 Ų | 43.1 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.6 | -38.9 | 175.9 | -73.6 | -53.7 | 0 | 0 | 0 | 112.5 | L311 K312 L313 M317 F318 V319 | L311-H315 PolarHBondContact O-CD2 3.37Å; L311-H315 PolarHBondContact O-N 3.36Å; K312-H315 PolarHBondContact O-N 2.89Å; L313-H315 VanDerWaalsContact C-N 3.35Å; L313-H315 PolarHBondContact O-N 2.94Å; H315-M317 VanDerWaalsContact C-N 3.33Å; H315-F318 PolarHBondContact O-N 3.4Å; H315-V319 WeakPolarHBondContact O-CG2 3.43Å; H315-V319 PolarHBondContact O-N 2.98Å |
| 316 | S | 97.8 | Very high | 96.8 | Very high | 37 Ų | 37 | 38.4 Ų | 38.4 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.8 | -29.4 | 177.9 | 79 | 0 | 0 | 0 | 0 | 113.4 | K312 L313 L314 A326 | K312-S316 PolarHBondContact O-N 2.93Å; K312-S316 VanDerWaalsContact O-N 3.08Å; L313-S316 WeakPolarHBondContact O-CB 3.45Å; L313-S316 PolarHBondContact O-N 3.17Å; L313-S316 PolarHBondContact O-OG 2.76Å; L314-S316 VanDerWaalsContact C-N 3.25Å; L314-S316 PolarHBondContact O-N 2.87Å; S316-A326 WeakPolarHBondContact O-CB 3.39Å; S316-A326 PolarHBondContact O-N 2.75Å |
| 317 | M | 98.5 | Very high | 97 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -81.4 | -28 | 177.2 | -63.1 | 177.9 | 84.7 | 0 | 0 | 112.4 | L162 I236 A239 G240 L243 L313 L314 H315 R325 | L162-M317 HydrophobicContact CD2-CE 4.23Å; I236-M317 HydrophobicContact CG2-CB 4.15Å; I236-M317 HydrophobicContact CG2-CE 4.16Å; I236-M317 HydrophobicContact CG2-CG 4.04Å; I236-M317 WeakPolarHBondContact O-CE 3.32Å; A239-M317 HydrophobicContact CB-CE 3.77Å; G240-M317 VanDerWaalsContact N-CE 3.25Å; L243-M317 HydrophobicContact CD2-SD 4.36Å; L313-M317 HydrophobicContact CD1-CG 4.19Å; L313-M317 HydrophobicContact CD1-SD 3.96Å; L313-M317 HydrophobicContact CG-SD 3.99Å; L313-M317 WeakPolarHBondContact O-CG 3.07Å; L313-M317 PolarHBondContact O-N 3.12Å; L313-M317 VanDerWaalsContact O-N 3.08Å; L314-M317 PolarHBondContact O-N 2.87Å; L314-M317 VanDerWaalsContact O-N 3.08Å; H315-M317 VanDerWaalsContact C-N 3.33Å; M317-R325 WeakPolarHBondContact O-CD 3.49Å; M317-R325 WeakPolarHBondContact O-CG 3.49Å |
| 318 | F | 97.8 | Very high | 97.1 | Very high | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -102.4 | 23.9 | -178.8 | -62.8 | -58.5 | 0 | 0 | 0 | 114.3 | W237 G240 C244 F252 F269 L299 L314 H315 Y320 | W237-F318 AromaticContact CD2-CD1 3.88Å; W237-F318 HydrophobicContact CD2-CD1 3.88Å; W237-F318 HydrophobicContact CD2-CE1 4.36Å; W237-F318 AromaticContact CE2-CD1 3.98Å; W237-F318 HydrophobicContact CE3-CB 4.5Å; W237-F318 AromaticContact CE3-CD1 3.82Å; W237-F318 HydrophobicContact CE3-CD1 3.82Å; W237-F318 HydrophobicContact CH2-CB 4.43Å; W237-F318 AromaticContact CH2-CD1 4Å; W237-F318 HydrophobicContact CH2-CD1 4Å; W237-F318 HydrophobicContact CZ2-CD1 4.04Å; W237-F318 HydrophobicContact CZ3-CB 4.04Å; W237-F318 AromaticContact CZ3-CD1 3.89Å; W237-F318 HydrophobicContact CZ3-CD1 3.89Å; W237-F318 HydrophobicContact CZ3-CG 4.47Å; G240-F318 WeakPolarHBondContact O-CZ 3.43Å; C244-F318 VanDerWaalsContact SG-CE2 3.59Å; F252-F318 HydrophobicContact CD1-CZ 4.24Å; F252-F318 HydrophobicContact CE1-CE1 4.37Å; F252-F318 HydrophobicContact CE1-CE2 4.03Å; F252-F318 AromaticContact CE1-CZ 3.69Å; F252-F318 HydrophobicContact CE1-CZ 3.69Å; F269-F318 HydrophobicContact CD1-CB 4.05Å; F269-F318 HydrophobicContact CD1-CG 4.34Å; F269-F318 HydrophobicContact CE1-CB 3.72Å; F269-F318 HydrophobicContact CE1-CD1 4.06Å; F269-F318 AromaticContact CE1-CD2 3.55Å; F269-F318 HydrophobicContact CE1-CD2 3.55Å; F269-F318 HydrophobicContact CE1-CE2 4.11Å; F269-F318 AromaticContact CE1-CG 3.51Å; F269-F318 HydrophobicContact CE1-CG 3.51Å; F269-F318 HydrophobicContact CE2-CD1 4.27Å; F269-F318 HydrophobicContact CE2-CG 4.45Å; F269-F318 HydrophobicContact CZ-CB 4.02Å; F269-F318 AromaticContact CZ-CD1 3.6Å; F269-F318 HydrophobicContact CZ-CD1 3.6Å; F269-F318 AromaticContact CZ-CD2 3.88Å; F269-F318 HydrophobicContact CZ-CD2 3.88Å; F269-F318 AromaticContact CZ-CE1 3.93Å; F269-F318 HydrophobicContact CZ-CE1 3.93Å; F269-F318 HydrophobicContact CZ-CE2 4.19Å; F269-F318 AromaticContact CZ-CG 3.57Å; F269-F318 HydrophobicContact CZ-CG 3.57Å; F269-F318 HydrophobicContact CZ-CZ 4.19Å; L299-F318 HydrophobicContact CD1-CD2 4.18Å; L299-F318 HydrophobicContact CD2-CD2 4.48Å; L299-F318 HydrophobicContact CD2-CE2 4.46Å; L314-F318 HydrophobicContact CB-CD2 4.23Å; L314-F318 HydrophobicContact CB-CE2 4.27Å; L314-F318 HydrophobicContact CD2-CE2 4.18Å; L314-F318 WeakPolarHBondContact O-CD2 3.35Å; L314-F318 PolarHBondContact O-N 2.87Å; H315-F318 PolarHBondContact O-N 3.4Å; F318-Y320 PolarHBondContact O-N 2.84Å |
| 319 | V | 96.8 | Very high | 97.1 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 25% | 0.248 | 21% | 0.208 | C | C | . | . | trans | -64.4 | 127 | 170.4 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | H315 D321 K324 R325 | H315-V319 WeakPolarHBondContact O-CG2 3.43Å; H315-V319 PolarHBondContact O-N 2.98Å; V319-D321 HydrophobicContact CG1-CB 4.43Å; V319-K324 HydrophobicContact CG1-CB 3.91Å; V319-R325 HydrophobicContact CB-CB 4.15Å; V319-R325 HydrophobicContact CB-CG 4.36Å; V319-R325 PolarHBondContact O-NE 3.02Å; V319-R325 PolarHBondContact O-NH2 3.01Å; V319-R325 VanDerWaalsContact O-NH2 3.07Å | ||
| 320 | Y | 95.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -59.3 | -52 | 180 | -84.6 | -71.6 | 0 | 0 | 0 | 112.4 | P221 M265 F269 G270 P272 I276 W277 F318 P322 R325 | P221-Y320 HydrophobicContact CB-CD1 4Å; P221-Y320 HydrophobicContact CB-CE1 4.17Å; P221-Y320 HydrophobicContact CG-CD1 3.86Å; P221-Y320 HydrophobicContact CG-CE1 4.31Å; M265-Y320 PolarHBondContact O-OH 2.84Å; F269-Y320 HydrophobicContact CB-CE2 3.9Å; G270-Y320 WeakPolarHBondContact O-CE2 3.48Å; G270-Y320 PolarHBondContact O-OH 2.99Å; P272-Y320 HydrophobicContact CB-CD1 3.95Å; P272-Y320 HydrophobicContact CB-CD2 3.88Å; P272-Y320 HydrophobicContact CB-CE1 4.21Å; P272-Y320 HydrophobicContact CB-CE2 4.14Å; P272-Y320 HydrophobicContact CB-CG 3.78Å; P272-Y320 HydrophobicContact CG-CD1 4.08Å; P272-Y320 HydrophobicContact CG-CE1 3.95Å; P272-Y320 HydrophobicContact CG-CE2 4.44Å; P272-Y320 HydrophobicContact CG-CG 4.4Å; I276-Y320 HydrophobicContact CG2-CD2 4.4Å; W277-Y320 HydrophobicContact CE3-CD1 4.49Å; F318-Y320 PolarHBondContact O-N 2.84Å; Y320-P322 WeakPolarHBondContact O-CD 3.37Å; Y320-R325 PolarHBondContact O-NH2 2.8Å; Y320-R325 VanDerWaalsContact O-NH2 3.12Å |
| 321 | D | 94.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -65.3 | 112.2 | 178 | -176.4 | -9.3 | 0 | 0 | 0 | 110.8 | W277 V319 A323 K324 R325 | W277-D321 HydrophobicContact CB-CB 4.25Å; W277-D321 HydrophobicContact CG-CB 4.17Å; V319-D321 HydrophobicContact CG1-CB 4.43Å; D321-A323 PolarHBondContact O-N 3.26Å; D321-A323 VanDerWaalsContact O-N 3.15Å; D321-A323 WeakPolarHBondContact OD1-CB 3.35Å; D321-A323 PolarHBondContact OD1-N 3.29Å; D321-K324 HydrophobicContact CB-CB 4.23Å; D321-K324 HydrophobicContact CB-CD 4.2Å; D321-K324 HydrophobicContact CB-CG 4.29Å; D321-K324 PolarHBondContact O-N 2.92Å; D321-K324 WeakPolarHBondContact OD2-CD 3.34Å; D321-K324 VanDerWaalsContact OD2-CE 3.27Å; D321-K324 WeakPolarHBondContact OD2-CE 3.29Å; D321-K324 IonicContact OD2-NZ 2.71Å; D321-R325 PolarHBondContact O-N 3.48Å |
| 322 | P | 94.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 14% | 0.143 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.4 | -178.1 | -21.1 | 34 | 0 | 0 | 0 | 113.4 | E222 A233 W277 Y320 K324 | E222-P322 HydrophobicContact CB-CG 3.87Å; E222-P322 VanDerWaalsContact CD-CG 3.49Å; E222-P322 HydrophobicContact CG-CG 3.82Å; A233-P322 HydrophobicContact CB-CB 3.86Å; A233-P322 WeakPolarHBondContact CB-O 3.45Å; W277-P322 HydrophobicContact CZ2-CG 4.31Å; Y320-P322 WeakPolarHBondContact O-CD 3.37Å; P322-K324 VanDerWaalsContact C-N 3.34Å |
| 323 | A | 93.7 | Very high | 97.3 | Very high | 94 Ų | 94 | 38.9 Ų | 38.9 | 78% | 0.777 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -22.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | D321 | D321-A323 PolarHBondContact O-N 3.26Å; D321-A323 VanDerWaalsContact O-N 3.15Å; D321-A323 WeakPolarHBondContact OD1-CB 3.35Å; D321-A323 PolarHBondContact OD1-N 3.29Å |
| 324 | K | 96.2 | Very high | 97.3 | Very high | 123 Ų | 123 | 39.7 Ų | 39.7 | 54% | 0.535 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -11.5 | 178.4 | -63.2 | 177.7 | -170.7 | 166.6 | 0 | 113.1 | V319 D321 P322 | V319-K324 HydrophobicContact CG1-CB 3.91Å; D321-K324 HydrophobicContact CB-CB 4.23Å; D321-K324 HydrophobicContact CB-CD 4.2Å; D321-K324 HydrophobicContact CB-CG 4.29Å; D321-K324 PolarHBondContact O-N 2.92Å; D321-K324 WeakPolarHBondContact OD2-CD 3.34Å; D321-K324 VanDerWaalsContact OD2-CE 3.27Å; D321-K324 WeakPolarHBondContact OD2-CE 3.29Å; D321-K324 IonicContact OD2-NZ 2.71Å; P322-K324 VanDerWaalsContact C-N 3.34Å |
| 325 | R | 97.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 4% | 0.038 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -63.5 | 139.9 | 177.4 | -165.3 | 179.3 | -61.6 | 150.1 | 7.7 | 110.6 | E222 A233 I236 M317 V319 Y320 D321 | E222-R325 IonicContact OE1-CZ 2.77Å; E222-R325 IonicContact OE1-NH1 3.27Å; E222-R325 PolarHBondContact OE1-NH1 3.02Å; E222-R325 IonicContact OE1-NH2 2.84Å; E222-R325 PolarHBondContact OE1-NH2 3.5Å; E222-R325 IonicContact OE2-CZ 3.12Å; E222-R325 IonicContact OE2-NH1 2.89Å; E222-R325 PolarHBondContact OE2-NH1 2.98Å; E222-R325 IonicContact OE2-NH2 2.63Å; E222-R325 PolarHBondContact OE2-NH2 2.62Å; A233-R325 VanDerWaalsContact C-NH1 3.3Å; A233-R325 HydrophobicContact CB-CB 4.28Å; A233-R325 WeakPolarHBondContact O-CD 3.13Å; A233-R325 PolarHBondContact O-NH1 3.34Å; I236-R325 HydrophobicContact CG2-CG 4.46Å; M317-R325 WeakPolarHBondContact O-CD 3.49Å; M317-R325 WeakPolarHBondContact O-CG 3.49Å; V319-R325 HydrophobicContact CB-CB 4.15Å; V319-R325 HydrophobicContact CB-CG 4.36Å; V319-R325 PolarHBondContact O-NE 3.02Å; V319-R325 PolarHBondContact O-NH2 3.01Å; V319-R325 VanDerWaalsContact O-NH2 3.07Å; Y320-R325 PolarHBondContact O-NH2 2.8Å; Y320-R325 VanDerWaalsContact O-NH2 3.12Å; D321-R325 PolarHBondContact O-N 3.48Å |
| 326 | A | 98.1 | Very high | 97.3 | Very high | 12 Ų | 12 | 39.6 Ų | 39.6 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 144.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I236 S316 Q330 | I236-A326 WeakPolarHBondContact CG1-O 3.19Å; I236-A326 WeakPolarHBondContact CG2-O 3.4Å; S316-A326 WeakPolarHBondContact O-CB 3.39Å; S316-A326 PolarHBondContact O-N 2.75Å; A326-Q330 HydrophobicContact CB-CB 4.31Å |
| 327 | T | 98.3 | Very high | 97.3 | Very high | 62 Ų | 62 | 38.4 Ų | 38.4 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -80.8 | 163.5 | 170.1 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | A329 Q330 C331 | T327-A329 PolarHBondContact O-N 2.97Å; T327-Q330 PolarHBondContact O-N 3.32Å; T327-Q330 VanDerWaalsContact O-N 3.15Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.33Å; T327-Q330 PolarHBondContact OG1-N 3.32Å; T327-Q330 PolarHBondContact OG1-OE1 3.11Å; T327-C331 PolarHBondContact O-N 3.25Å; T327-C331 PolarHBondContact O-SG 3.36Å |
| 328 | A | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.6 | -37.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L165 K166 I236 C331 L332 | L165-A328 HydrophobicContact CB-CB 3.98Å; K166-A328 HydrophobicContact CB-CB 3.88Å; I236-A328 HydrophobicContact CD1-CB 3.77Å; A328-C331 PolarHBondContact O-N 3.1Å; A328-L332 WeakPolarHBondContact O-CG 3.39Å; A328-L332 PolarHBondContact O-N 3.21Å |
| 329 | A | 98.3 | Very high | 97.2 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 30% | 0.298 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K166 T327 C331 L332 D333 | K166-A329 HydrophobicContact CD-CB 4.22Å; T327-A329 PolarHBondContact O-N 2.97Å; A329-C331 VanDerWaalsContact C-N 3.3Å; A329-C331 PolarHBondContact O-N 2.89Å; A329-L332 PolarHBondContact O-N 2.76Å; A329-D333 PolarHBondContact O-N 3.03Å |
| 330 | Q | 98.4 | Very high | 97.2 | Very high | 116 Ų | 116 | 47.9 Ų | 47.9 | 54% | 0.542 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 176.6 | -72.4 | 165.3 | -40.5 | 0 | 0 | 112.3 | A326 T327 D333 | A326-Q330 HydrophobicContact CB-CB 4.31Å; T327-Q330 PolarHBondContact O-N 3.32Å; T327-Q330 VanDerWaalsContact O-N 3.15Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.33Å; T327-Q330 PolarHBondContact OG1-N 3.32Å; T327-Q330 PolarHBondContact OG1-OE1 3.11Å; Q330-D333 PolarHBondContact O-N 3.36Å |
| 331 | C | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 175.3 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | L162 L313 T327 A328 A329 D333 S334 F337 | L162-C331 HydrophobicContact CD1-CB 3.71Å; L162-C331 HydrophobicContact CD2-CB 3.7Å; L162-C331 HydrophobicContact CG-CB 4.32Å; L313-C331 HydrophobicContact CD1-CB 3.97Å; T327-C331 PolarHBondContact O-N 3.25Å; T327-C331 PolarHBondContact O-SG 3.36Å; A328-C331 PolarHBondContact O-N 3.1Å; A329-C331 VanDerWaalsContact C-N 3.3Å; A329-C331 PolarHBondContact O-N 2.89Å; C331-D333 PolarHBondContact O-N 2.97Å; C331-S334 WeakPolarHBondContact O-CB 3.45Å; C331-S334 PolarHBondContact O-N 2.85Å; C331-S334 VanDerWaalsContact O-N 3.09Å; C331-F337 VanDerWaalsContact O-CE2 3.3Å; C331-F337 WeakPolarHBondContact O-CE2 3.11Å |
| 332 | L | 98.3 | Very high | 97.3 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.6 | -33 | 177.2 | -74.3 | 164.7 | 0 | 0 | 0 | 113 | L159 L162 E163 K166 A328 A329 S334 | L159-L332 HydrophobicContact CD2-CD2 3.71Å; L162-L332 HydrophobicContact CB-CD1 4.41Å; L162-L332 HydrophobicContact CB-CD2 3.6Å; L162-L332 HydrophobicContact CB-CG 3.77Å; L162-L332 HydrophobicContact CD1-CD2 4.41Å; E163-L332 HydrophobicContact CG-CD1 4.29Å; E163-L332 HydrophobicContact CG-CD2 3.93Å; K166-L332 HydrophobicContact CB-CD1 4.06Å; K166-L332 HydrophobicContact CD-CD1 3.5Å; K166-L332 VanDerWaalsContact CD-CD1 3.5Å; K166-L332 HydrophobicContact CG-CD1 4.42Å; A328-L332 WeakPolarHBondContact O-CG 3.39Å; A328-L332 PolarHBondContact O-N 3.21Å; A329-L332 PolarHBondContact O-N 2.76Å; L332-S334 PolarHBondContact O-N 2.98Å |
| 333 | D | 97.8 | Very high | 97.4 | Very high | 111 Ų | 111 | 56.3 Ų | 56.3 | 59% | 0.594 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -2.7 | 178.7 | -70.5 | -32.6 | 0 | 0 | 0 | 113.7 | A329 Q330 C331 V335 | A329-D333 PolarHBondContact O-N 3.03Å; Q330-D333 PolarHBondContact O-N 3.36Å; C331-D333 PolarHBondContact O-N 2.97Å; D333-V335 PolarHBondContact O-N 3.03Å |
| 334 | S | 98.3 | Very high | 97.5 | Very high | 19 Ų | 19 | 52.9 Ų | 52.9 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | trans | -56.5 | 136.8 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | C331 L332 Y336 F337 | C331-S334 WeakPolarHBondContact O-CB 3.45Å; C331-S334 PolarHBondContact O-N 2.85Å; C331-S334 VanDerWaalsContact O-N 3.09Å; L332-S334 PolarHBondContact O-N 2.98Å; S334-Y336 PolarHBondContact O-N 3.37Å; S334-Y336 WeakPolarHBondContact OG-CB 3.34Å; S334-Y336 PolarHBondContact OG-N 2.84Å; S334-F337 PolarHBondContact O-N 2.81Å | ||
| 335 | V | 98 | Very high | 97.2 | Very high | 76 Ų | 76 | 54.2 Ų | 54.2 | 46% | 0.461 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -61.4 | -25.3 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | N309 D333 F337 K338 E339 | N309-V335 HydrophobicContact CB-CB 4.36Å; D333-V335 PolarHBondContact O-N 3.03Å; V335-F337 PolarHBondContact O-N 3.14Å; V335-F337 VanDerWaalsContact O-N 3.16Å; V335-K338 CarbonylContact O-C 3.54Å; V335-K338 WeakPolarHBondContact O-CA 3.3Å; V335-K338 PolarHBondContact O-N 3.42Å; V335-E339 PolarHBondContact O-N 2.83Å |
| 336 | Y | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -54.2 | -35.3 | 177 | 177.8 | -118.2 | 0 | 0 | 0 | 113.4 | E151 K155 L306 L313 S334 K338 E339 | E151-Y336 WeakPolarHBondContact CG-OH 3.38Å; E151-Y336 WeakPolarHBondContact OE1-CE2 3.37Å; E151-Y336 PolarHBondContact OE1-OH 3.12Å; K155-Y336 HydrophobicContact CD-CE1 4.2Å; K155-Y336 WeakPolarHBondContact CE-O 3.45Å; K155-Y336 HydrophobicContact CG-CD1 4.29Å; K155-Y336 HydrophobicContact CG-CE1 3.62Å; K155-Y336 PolarHBondContact NZ-O 3.47Å; L306-Y336 HydrophobicContact CD1-CE2 3.67Å; L313-Y336 HydrophobicContact CD2-CD1 3.63Å; L313-Y336 HydrophobicContact CD2-CE1 4.36Å; L313-Y336 HydrophobicContact CD2-CG 4.35Å; S334-Y336 PolarHBondContact O-N 3.37Å; S334-Y336 WeakPolarHBondContact OG-CB 3.34Å; S334-Y336 PolarHBondContact OG-N 2.84Å; Y336-K338 VanDerWaalsContact C-N 3.28Å; Y336-K338 PolarHBondContact O-N 3.41Å; Y336-E339 WeakPolarHBondContact CD2-OE1 3.38Å; Y336-E339 WeakPolarHBondContact O-CG 3.49Å |
| 337 | F | 98 | Very high | 96.3 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 5% | 0.053 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -80.7 | -9.6 | 178.4 | -60.6 | -59.9 | 0 | 0 | 0 | 113.4 | K155 A158 L159 L162 L313 C331 S334 V335 P343 | K155-F337 HydrophobicContact CB-CD1 4.14Å; K155-F337 HydrophobicContact CB-CE1 4.39Å; K155-F337 HydrophobicContact CG-CD1 4.09Å; K155-F337 HydrophobicContact CG-CE1 4.32Å; A158-F337 HydrophobicContact CB-CE1 3.98Å; A158-F337 HydrophobicContact CB-CZ 4.13Å; L159-F337 HydrophobicContact CD1-CB 4.44Å; L159-F337 HydrophobicContact CD1-CD1 4.17Å; L159-F337 HydrophobicContact CD1-CG 4.42Å; L159-F337 HydrophobicContact CD2-CB 4.03Å; L159-F337 HydrophobicContact CD2-CD1 3.77Å; L159-F337 HydrophobicContact CD2-CD2 3.69Å; L159-F337 HydrophobicContact CD2-CE1 4.11Å; L159-F337 HydrophobicContact CD2-CE2 4.03Å; L159-F337 HydrophobicContact CD2-CG 3.55Å; L159-F337 HydrophobicContact CD2-CZ 4.23Å; L159-F337 HydrophobicContact CG-CD1 3.7Å; L159-F337 HydrophobicContact CG-CE1 3.96Å; L159-F337 HydrophobicContact CG-CG 4.01Å; L159-F337 HydrophobicContact CG-CZ 4.47Å; L162-F337 HydrophobicContact CD1-CE2 3.82Å; L162-F337 HydrophobicContact CD1-CZ 3.79Å; L313-F337 HydrophobicContact CD2-CE1 4.46Å; L313-F337 HydrophobicContact CD2-CE2 3.78Å; L313-F337 HydrophobicContact CD2-CZ 3.63Å; C331-F337 VanDerWaalsContact O-CE2 3.3Å; C331-F337 WeakPolarHBondContact O-CE2 3.11Å; S334-F337 PolarHBondContact O-N 2.81Å; V335-F337 PolarHBondContact O-N 3.14Å; V335-F337 VanDerWaalsContact O-N 3.16Å; F337-P343 VanDerWaalsContact O-CD 3.31Å; F337-P343 WeakPolarHBondContact O-CD 3.15Å |
| 338 | K | 97 | Very high | 95.7 | Very high | 130 Ų | 130 | 63.4 Ų | 63.4 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -109.3 | 5.2 | -177.2 | -59.5 | 174.9 | -175.9 | 165.2 | 0 | 112.7 | V335 Y336 Y342 | V335-K338 CarbonylContact O-C 3.54Å; V335-K338 WeakPolarHBondContact O-CA 3.3Å; V335-K338 PolarHBondContact O-N 3.42Å; Y336-K338 VanDerWaalsContact C-N 3.28Å; Y336-K338 PolarHBondContact O-N 3.41Å; K338-Y342 VanDerWaalsContact O-CE1 3.28Å; K338-Y342 WeakPolarHBondContact O-CE1 3.48Å |
| 339 | E | 96.4 | Very high | 95.2 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -114.6 | 153.9 | 176.8 | 67.5 | -178.6 | -175.7 | 0 | 0 | 111.8 | K155 S307 N309 V335 Y336 P341 | K155-E339 PolarHBondContact NZ-O 3.1Å; K155-E339 VanDerWaalsContact NZ-O 3.12Å; S307-E339 WeakPolarHBondContact CB-OE1 3.33Å; S307-E339 PolarHBondContact OG-OE1 3.29Å; N309-E339 PolarHBondContact ND2-OE2 3.44Å; V335-E339 PolarHBondContact O-N 2.83Å; Y336-E339 WeakPolarHBondContact CD2-OE1 3.38Å; Y336-E339 WeakPolarHBondContact O-CG 3.49Å; E339-P341 CarbonylContact O-C 3.32Å; E339-P341 VanDerWaalsContact O-C 3.32Å; E339-P341 VanDerWaalsContact O-O 3.12Å |
| 340 | P | 96.2 | Very high | 94.2 | Very high | 89 Ų | 89 | 64 Ų | 64 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -60.7 | 144.8 | 172.1 | -21.4 | 32.4 | 0 | 0 | 0 | 112.7 | Y342 | P340-Y342 HydrophobicContact CB-CE2 4.38Å; P340-Y342 HydrophobicContact CG-CD2 4.48Å; P340-Y342 HydrophobicContact CG-CE2 3.78Å |
| 341 | P | 96.1 | Very high | 92.9 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | S | Bend | cis | -67.7 | 131.5 | -10.5 | 28.4 | -33.2 | 0 | 0 | 0 | 110.5 | E151 K155 E339 | E151-P341 HydrophobicContact CB-CG 3.72Å; E151-P341 HydrophobicContact CG-CG 3.88Å; K155-P341 WeakPolarHBondContact CD-O 3.48Å; K155-P341 WeakPolarHBondContact CE-O 3.4Å; K155-P341 PolarHBondContact NZ-O 3.33Å; E339-P341 CarbonylContact O-C 3.32Å; E339-P341 VanDerWaalsContact O-C 3.32Å; E339-P341 VanDerWaalsContact O-O 3.12Å |
| 342 | Y | 97 | Very high | 91.5 | Very high | 138 Ų | 138 | 65.1 Ų | 65.1 | 54% | 0.541 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 153.4 | 179.4 | -65 | -72.5 | 0 | 0 | 0 | 110.9 | S152 K338 P340 C344 | S152-Y342 WeakPolarHBondContact CA-O 3.36Å; S152-Y342 VanDerWaalsContact CB-O 3.27Å; S152-Y342 WeakPolarHBondContact CB-O 3.32Å; S152-Y342 PolarHBondContact OG-O 3.5Å; K338-Y342 VanDerWaalsContact O-CE1 3.28Å; K338-Y342 WeakPolarHBondContact O-CE1 3.48Å; P340-Y342 HydrophobicContact CB-CE2 4.38Å; P340-Y342 HydrophobicContact CG-CD2 4.48Å; P340-Y342 HydrophobicContact CG-CE2 3.78Å; Y342-C344 PolarHBondContact O-N 3.38Å |
| 343 | P | 96.7 | Very high | 89.6 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 26% | 0.26 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 131.9 | 170.6 | 23.5 | -33.9 | 0 | 0 | 0 | 110.6 | S152 K155 C156 L159 F337 | S152-P343 WeakPolarHBondContact O-CA 3.45Å; K155-P343 HydrophobicContact CB-CB 3.93Å; C156-P343 HydrophobicContact CB-CB 4.48Å; L159-P343 HydrophobicContact CD1-CB 3.73Å; L159-P343 HydrophobicContact CD1-CG 3.75Å; F337-P343 VanDerWaalsContact O-CD 3.31Å; F337-P343 WeakPolarHBondContact O-CD 3.15Å |
| 344 | C | 94.5 | Very high | 87.5 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 158 | 173.8 | 71.5 | 0 | 0 | 0 | 0 | 109.9 | S152 C156 Y342 L348 | S152-C344 PolarHBondContact O-N 2.75Å; S152-C344 VanDerWaalsContact O-N 3.13Å; S152-C344 WeakPolarHBondContact OG-CB 3.45Å; S152-C344 PolarHBondContact OG-N 3.23Å; C156-C344 WeakPolarHBondContact CB-O 3.48Å; C156-C344 PolarHBondContact SG-O 2.9Å; C156-C344 VanDerWaalsContact SG-O 3.39Å; Y342-C344 PolarHBondContact O-N 3.38Å; C344-L348 HydrophobicContact CB-CB 4.47Å |
| 345 | K | 91.4 | Very high | 85.1 | Confident | 150 Ų | 150 | 68.5 Ų | 68.5 | 65% | 0.652 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 150.2 | 167.6 | -64.2 | -175.6 | 178.2 | -179.7 | 0 | 109.5 | N347 L348 | K345-N347 VanDerWaalsContact C-N 3.3Å; K345-N347 WeakPolarHBondContact CB-OD1 3.12Å; K345-N347 PolarHBondContact O-N 3.36Å; K345-L348 HydrophobicContact CB-CD1 4.15Å; K345-L348 HydrophobicContact CB-CG 4.22Å; K345-L348 WeakPolarHBondContact O-CB 3.46Å; K345-L348 PolarHBondContact O-N 2.98Å |
| 346 | E | 90.2 | Very high | 82.5 | Confident | 42 Ų | 42 | 69.3 Ų | 69.3 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -58.3 | -42.2 | -178.3 | -64.9 | 168.6 | -156.6 | 0 | 0 | 112.3 | R110 D188 L348 M349 | R110-E346 IonicContact CZ-OE1 3.83Å; R110-E346 IonicContact CZ-OE2 3.99Å; R110-E346 IonicContact NH1-OE1 3.77Å; R110-E346 PolarHBondContact NH1-OE1 3.39Å; R110-E346 IonicContact NH2-OE1 3.66Å; R110-E346 PolarHBondContact NH2-OE1 3.45Å; R110-E346 IonicContact NH2-OE2 2.72Å; R110-E346 PolarHBondContact NH2-OE2 3.37Å; D188-E346 CarbonylContact O-C 3.57Å; E346-L348 PolarHBondContact O-N 2.83Å; E346-L348 VanDerWaalsContact O-N 3.08Å; E346-M349 WeakPolarHBondContact O-CB 3.3Å; E346-M349 VanDerWaalsContact O-CG 3.26Å; E346-M349 WeakPolarHBondContact O-CG 3.34Å; E346-M349 PolarHBondContact O-N 2.97Å |
| 347 | N | 85 | Confident | 79.5 | Confident | 121 Ų | 121 | 74 Ų | 74 | 65% | 0.647 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -67.8 | -7.7 | 177.3 | 71.4 | -30.6 | 0 | 0 | 0 | 114.4 | K345 | K345-N347 VanDerWaalsContact C-N 3.3Å; K345-N347 WeakPolarHBondContact CB-OD1 3.12Å; K345-N347 PolarHBondContact O-N 3.36Å |
| 348 | L | 86.5 | Confident | 76.7 | Confident | 115 Ų | 115 | 78 Ų | 78 | 60% | 0.602 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -99.1 | 1.2 | 172.1 | -58.6 | 176.6 | 0 | 0 | 0 | 111.9 | C344 K345 E346 | C344-L348 HydrophobicContact CB-CB 4.47Å; K345-L348 HydrophobicContact CB-CD1 4.15Å; K345-L348 HydrophobicContact CB-CG 4.22Å; K345-L348 WeakPolarHBondContact O-CB 3.46Å; K345-L348 PolarHBondContact O-N 2.98Å; E346-L348 PolarHBondContact O-N 2.83Å; E346-L348 VanDerWaalsContact O-N 3.08Å |
| 349 | M | 87.7 | Confident | 74 | Confident | 9 Ų | 9 | 80 Ų | 80 | 4% | 0.044 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -62.5 | 140.8 | 170.1 | -71.7 | -65.5 | -68.7 | 0 | 0 | 109.4 | F149 Q153 C156 L157 E346 T351 | F149-M349 HydrophobicContact CD1-CE 4.18Å; F149-M349 HydrophobicContact CE1-CE 3.67Å; F149-M349 HydrophobicContact CZ-CE 4.36Å; Q153-M349 HydrophobicContact CB-CE 4.23Å; Q153-M349 HydrophobicContact CB-SD 3.83Å; Q153-M349 HydrophobicContact CG-SD 3.84Å; C156-M349 HydrophobicContact CB-SD 4.32Å; L157-M349 HydrophobicContact CD1-CE 3.92Å; L157-M349 HydrophobicContact CD2-CE 3.75Å; L157-M349 HydrophobicContact CG-CE 3.72Å; E346-M349 WeakPolarHBondContact O-CB 3.3Å; E346-M349 VanDerWaalsContact O-CG 3.26Å; E346-M349 WeakPolarHBondContact O-CG 3.34Å; E346-M349 PolarHBondContact O-N 2.97Å; M349-T351 PolarHBondContact O-N 3.28Å |
| 350 | P | 77.7 | Confident | 71.3 | Confident | 42 Ų | 42 | 86.2 Ų | 86.2 | 27% | 0.273 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 128.9 | -179 | 18 | -25.5 | 0 | 0 | 0 | 109.5 | F149 F352 | F149-P350 HydrophobicContact CD1-CG 4.45Å; F149-P350 HydrophobicContact CE1-CG 4.02Å; P350-F352 HydrophobicContact CB-CE1 4.28Å; P350-F352 HydrophobicContact CB-CE2 3.88Å; P350-F352 HydrophobicContact CB-CZ 3.72Å; P350-F352 HydrophobicContact CG-CE1 4.4Å; P350-F352 HydrophobicContact CG-CE2 3.59Å; P350-F352 HydrophobicContact CG-CZ 3.44Å; P350-F352 VanDerWaalsContact CG-CZ 3.44Å; P350-F352 WeakPolarHBondContact O-CD2 2.92Å; P350-F352 WeakPolarHBondContact O-CE2 3.25Å; P350-F352 PolarHBondContact O-N 3.28Å |
| 351 | T | 72.2 | Confident | 68.5 | Low | 103 Ų | 103 | 91 Ų | 91 | 63% | 0.632 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 119.3 | 172.9 | -34.1 | 0 | 0 | 0 | 0 | 108.1 | M349 | M349-T351 PolarHBondContact O-N 3.28Š|
| 352 | F | 68.3 | Low | 65.7 | Low | 36 Ų | 36 | 95.7 Ų | 95.7 | 16% | 0.158 | 45% | 0.454 | C | S | . | . | trans | -96.9 | 113.4 | 177.9 | -60.2 | -84.3 | 0 | 0 | 0 | 108.6 | L141 M145 F149 P350 Q354 | L141-F352 HydrophobicContact CD1-CB 4.01Å; L141-F352 HydrophobicContact CD1-CD1 3.55Å; L141-F352 HydrophobicContact CD1-CD2 3.39Å; L141-F352 HydrophobicContact CD1-CE1 3.74Å; L141-F352 HydrophobicContact CD1-CE2 3.59Å; L141-F352 HydrophobicContact CD1-CG 3.34Å; L141-F352 HydrophobicContact CD1-CZ 3.75Å; L141-F352 HydrophobicContact CD2-CD2 3.87Å; L141-F352 HydrophobicContact CD2-CE2 3.63Å; L141-F352 HydrophobicContact CD2-CZ 4.25Å; L141-F352 HydrophobicContact CG-CD2 4.25Å; L141-F352 HydrophobicContact CG-CE2 4.1Å; L141-F352 HydrophobicContact CG-CZ 4.31Å; M145-F352 HydrophobicContact CB-CE1 4.38Å; M145-F352 HydrophobicContact CE-CZ 4.49Å; F149-F352 HydrophobicContact CE1-CE2 4.18Å; F149-F352 HydrophobicContact CE1-CZ 4.06Å; F149-F352 HydrophobicContact CZ-CE2 4.28Å; F149-F352 HydrophobicContact CZ-CZ 4.26Å; P350-F352 HydrophobicContact CB-CE1 4.28Å; P350-F352 HydrophobicContact CB-CE2 3.88Å; P350-F352 HydrophobicContact CB-CZ 3.72Å; P350-F352 HydrophobicContact CG-CE1 4.4Å; P350-F352 HydrophobicContact CG-CE2 3.59Å; P350-F352 HydrophobicContact CG-CZ 3.44Å; P350-F352 VanDerWaalsContact CG-CZ 3.44Å; P350-F352 WeakPolarHBondContact O-CD2 2.92Å; P350-F352 WeakPolarHBondContact O-CE2 3.25Å; P350-F352 PolarHBondContact O-N 3.28Å; F352-Q354 PolarHBondContact O-N 3.21Å | ||
| 353 | P | 58.5 | Low | 63.1 | Low | 100 Ų | 100 | 95.2 Ų | 95.2 | 65% | 0.649 | 46% | 0.456 | S | S | * | . | trans | -53.5 | 135.8 | 175.3 | 21.7 | -30.7 | 0 | 0 | 0 | 108.1 | H355 | P353-H355 PolarHBondContact O-CE1 2.68Å; P353-H355 PolarHBondContact O-N 3.08Å; P353-H355 PolarHBondContact O-ND1 2.54Å | ||
| 354 | Q | 53.2 | Low | 60.4 | Low | 63 Ų | 63 | 99.3 Ų | 99.3 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | trans | -52.2 | 103 | -172.8 | -69.2 | -179.4 | 0.4 | 0 | 0 | 111 | F352 R356 N357 | F352-Q354 PolarHBondContact O-N 3.21Å; Q354-R356 PolarHBondContact O-N 3.47Å; Q354-N357 PolarHBondContact O-N 2.98Å | ||
| 355 | H | 48.6 | Very low | 57.8 | Low | 63 Ų | 63 | 102.4 Ų | 102.4 | 29% | 0.292 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -67.3 | -1.6 | -173.3 | -80.3 | 51.9 | 0 | 0 | 0 | 112.7 | P353 | P353-H355 PolarHBondContact O-CE1 2.68Å; P353-H355 PolarHBondContact O-N 3.08Å; P353-H355 PolarHBondContact O-ND1 2.54Å |
| 356 | R | 43.1 | Very low | 55.3 | Low | 93 Ų | 93 | 98.5 Ų | 98.5 | 35% | 0.351 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -84 | -16.4 | -176.6 | -68.1 | -178.2 | 174.4 | 175.7 | -4.1 | 114.6 | I59 D137 Q354 | I59-R356 VanDerWaalsContact O-CZ 3.31Å; I59-R356 PolarHBondContact O-NH1 3.22Å; I59-R356 PolarHBondContact O-NH2 3.19Å; D137-R356 IonicContact OD2-NH2 3.65Å; D137-R356 PolarHBondContact OD2-NH2 3.04Å; Q354-R356 PolarHBondContact O-N 3.47Å |
| 357 | N | 34.9 | Very low | 53 | Low | 100 Ų | 100 | 100.9 Ų | 100.9 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -84.7 | -9 | 177.9 | -74.7 | -32.6 | 0 | 0 | 0 | 114.5 | Q354 | Q354-N357 PolarHBondContact O-N 2.98Š|
| 358 | L | 39.2 | Very low | 50.8 | Low | 95 Ų | 95 | 99.2 Ų | 99.2 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.2 | -29.5 | -179.5 | -86.6 | 147.9 | 0 | 0 | 0 | 113.5 | R360 R361 F362 | L358-R360 VanDerWaalsContact C-N 3.27Å; L358-R360 PolarHBondContact O-N 2.93Å; L358-R361 PolarHBondContact O-N 3.43Å; L358-R361 VanDerWaalsContact O-N 3.1Å; L358-F362 PolarHBondContact O-N 2.8Å |
| 359 | K | 40.5 | Very low | 48.5 | Very low | 173 Ų | 173 | 102 Ų | 102 | 75% | 0.752 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.8 | -35.1 | 175.3 | -96.5 | -177 | 175.2 | 178.9 | 0 | 112.7 | R361 F362 E363 | K359-R361 VanDerWaalsContact C-N 3.34Å; K359-R361 PolarHBondContact O-N 3.15Å; K359-F362 PolarHBondContact O-N 3.31Å; K359-E363 PolarHBondContact O-N 3.49Å |
| 360 | R | 39.7 | Very low | 46.1 | Very low | 162 Ų | 162 | 112 Ų | 112 | 61% | 0.611 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.7 | -29.1 | 176.4 | -82.7 | -174.9 | -175.7 | 170.2 | 2.1 | 113.8 | L358 Q364 | L358-R360 VanDerWaalsContact C-N 3.27Å; L358-R360 PolarHBondContact O-N 2.93Å; R360-Q364 WeakPolarHBondContact O-CB 3.19Å; R360-Q364 WeakPolarHBondContact O-CG 3.47Å; R360-Q364 PolarHBondContact O-N 3.45Å; R360-Q364 VanDerWaalsContact O-N 3.15Å |
| 361 | R | 36.6 | Very low | 44.3 | Very low | 189 Ų | 189 | 120.7 Ų | 120.7 | 71% | 0.713 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74 | -32 | 178.7 | -89.2 | -174.7 | 170.8 | -175.1 | -1.9 | 113 | L358 K359 T365 | L358-R361 PolarHBondContact O-N 3.43Å; L358-R361 VanDerWaalsContact O-N 3.1Å; K359-R361 VanDerWaalsContact C-N 3.34Å; K359-R361 PolarHBondContact O-N 3.15Å; R361-T365 WeakPolarHBondContact O-CG2 3.36Å; R361-T365 PolarHBondContact O-N 2.78Å; R361-T365 PolarHBondContact O-OG1 3.36Å |
| 362 | F | 38.7 | Very low | 42.8 | Very low | 154 Ų | 154 | 124.9 Ų | 124.9 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -76.3 | -30.6 | 175.6 | -82.3 | -80.7 | 0 | 0 | 0 | 113.3 | L358 K359 T365 S366 | L358-F362 PolarHBondContact O-N 2.8Å; K359-F362 PolarHBondContact O-N 3.31Å; F362-T365 PolarHBondContact O-OG1 3.21Å; F362-S366 PolarHBondContact O-N 3.24Å; F362-S366 PolarHBondContact O-OG 3.42Å |
| 363 | E | 41.7 | Very low | 41.3 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 60% | 0.598 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -76.8 | -31 | 174.9 | -73.3 | 175.9 | 171.3 | 0 | 0 | 113 | K359 S366 T367 | K359-E363 PolarHBondContact O-N 3.49Å; E363-S366 WeakPolarHBondContact CA-OG 3.46Å; E363-S366 PolarHBondContact O-OG 3.14Å; E363-T367 PolarHBondContact O-N 3.32Å; E363-T367 PolarHBondContact O-OG1 3.31Å |
| 364 | Q | 39.2 | Very low | 40.2 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 59% | 0.589 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -77.9 | -27.9 | 175.7 | -73.5 | 179.9 | -11.1 | 0 | 0 | 113.4 | R360 T367 S368 | R360-Q364 WeakPolarHBondContact O-CB 3.19Å; R360-Q364 WeakPolarHBondContact O-CG 3.47Å; R360-Q364 PolarHBondContact O-N 3.45Å; R360-Q364 VanDerWaalsContact O-N 3.15Å; Q364-T367 WeakPolarHBondContact CA-OG1 3.49Å; Q364-T367 PolarHBondContact O-OG1 3.27Å; Q364-S368 PolarHBondContact O-N 2.86Å; Q364-S368 PolarHBondContact O-OG 3.33Å |
| 365 | T | 40.1 | Very low | 39.5 | Very low | 87 Ų | 87 | 150.3 Ų | 150.3 | 53% | 0.534 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -80.6 | -26.2 | 176.3 | 43.8 | 0 | 0 | 0 | 0 | 113.1 | R361 F362 | R361-T365 WeakPolarHBondContact O-CG2 3.36Å; R361-T365 PolarHBondContact O-N 2.78Å; R361-T365 PolarHBondContact O-OG1 3.36Å; F362-T365 PolarHBondContact O-OG1 3.21Å |
| 366 | S | 39.9 | Very low | 39.1 | Very low | 67 Ų | 67 | 154.7 Ų | 154.7 | 47% | 0.469 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -79.8 | -27.3 | 175.1 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | F362 E363 | F362-S366 PolarHBondContact O-N 3.24Å; F362-S366 PolarHBondContact O-OG 3.42Å; E363-S366 WeakPolarHBondContact CA-OG 3.46Å; E363-S366 PolarHBondContact O-OG 3.14Å |
| 367 | T | 41 | Very low | 38.9 | Very low | 92 Ų | 92 | 157.9 Ų | 157.9 | 56% | 0.564 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -78.4 | -31.3 | 175.2 | 40 | 0 | 0 | 0 | 0 | 113.2 | E363 Q364 | E363-T367 PolarHBondContact O-N 3.32Å; E363-T367 PolarHBondContact O-OG1 3.31Å; Q364-T367 WeakPolarHBondContact CA-OG1 3.49Å; Q364-T367 PolarHBondContact O-OG1 3.27Å |
| 368 | S | 40.1 | Very low | 39.1 | Very low | 87 Ų | 87 | 161.2 Ų | 161.2 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -74.1 | -26.1 | 175.5 | -65 | 0 | 0 | 0 | 0 | 114.2 | Q364 | Q364-S368 PolarHBondContact O-N 2.86Å; Q364-S368 PolarHBondContact O-OG 3.33Å |
| 369 | K | 38.1 | Very low | 39.1 | Very low | 172 Ų | 172 | 165.1 Ų | 165.1 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -80.8 | -17.7 | 175.7 | -76.5 | -174.9 | 177.7 | -179.5 | 0 | 114.3 | ||
| 370 | R | 37.2 | Very low | 39 | Very low | 220 Ų | 220 | 164.6 Ų | 164.6 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -83.2 | -13.7 | 176.9 | -86.9 | -176.8 | 167.2 | -178.9 | -2.5 | 114.2 | ||
| 371 | R | 38.8 | Very low | 38.9 | Very low | 224 Ų | 224 | 164.7 Ų | 164.7 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -7.1 | 177.1 | -97.6 | -178.3 | 172.9 | 178.1 | -2.4 | 115.1 | ||
| 372 | F | 40.4 | Very low | 39.1 | Very low | 192 Ų | 192 | 163 Ų | 163 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 12.9 | 179.5 | -106.2 | -84.2 | 0 | 0 | 0 | 114.6 | ||
| 373 | R | 38.1 | Very low | 39.1 | Very low | 231 Ų | 231 | 163.7 Ų | 163.7 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -122.7 | 19.6 | 178.4 | -97.5 | -173.3 | 173.2 | -171.5 | -1.9 | 114.4 | ||
| 374 | R | 36.1 | Very low | 38.9 | Very low | 235 Ų | 235 | 166.7 Ų | 166.7 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -138.6 | 72 | 168.9 | -74.2 | -172 | 173.9 | -173.4 | -2.6 | 109 | ||||
| 375 | Q | 38.3 | Very low | 38.9 | Very low | 267 Ų | 267 | 170.4 Ų | 170.4 | 100% | 1.248 | 77% | 0.768 | S | S | * | * | trans | -136.8 | 0 | 154.4 | -87.7 | -170.9 | -6 | 0 | 0 | 107.3 |
Retrieved 375 of 375 residues in 812.8 ms
(Link to these results)