| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.6 | Very low | 30.6 | Very low | 251 Ų | 251 | 124.4 Ų | 124.4 | 100% | 1.236 | 84% | 0.841 | S | S | * | * | 0 | 92.8 | 0 | -74.4 | 161.4 | 169.8 | 0 | 0 | 107.1 | |||||
| 2 | G | 32.8 | Very low | 30.9 | Very low | 70 Ų | 70 | 124.8 Ų | 124.8 | 72% | 0.722 | 84% | 0.841 | S | S | * | * | trans | -88.5 | 150.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | A4 | G2-A4 PolarHBondContact O-N 3.49Š| ||
| 3 | P | 29.9 | Very low | 31 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -70.6 | 128.8 | 178.7 | 29.5 | -31 | 0 | 0 | 0 | 109.5 | T5 | P3-T5 PolarHBondContact O-N 3.47Š| ||
| 4 | A | 29.5 | Very low | 31.6 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | -70.5 | 114.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | G2 L6 | G2-A4 PolarHBondContact O-N 3.49Å; A4-L6 PolarHBondContact O-N 3.32Å | ||
| 5 | T | 31 | Very low | 32.3 | Very low | 143 Ų | 143 | 120.3 Ų | 120.3 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -70.3 | 105.2 | 165 | 13 | 0 | 0 | 0 | 0 | 108.1 | P3 G7 | P3-T5 PolarHBondContact O-N 3.47Å; T5-G7 PolarHBondContact O-N 2.72Å | ||
| 6 | L | 31.7 | Very low | 33.1 | Very low | 172 Ų | 172 | 118.8 Ų | 118.8 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -63.4 | 103.4 | 168 | -84.1 | 132.4 | 0 | 0 | 0 | 108.6 | A4 A8 | A4-L6 PolarHBondContact O-N 3.32Å; L6-A8 PolarHBondContact O-N 3.27Å | ||
| 7 | G | 28.1 | Very low | 33.9 | Very low | 71 Ų | 71 | 123.5 Ų | 123.5 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | -65.6 | 114.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | T5 A9 | T5-G7 PolarHBondContact O-N 2.72Å; G7-A9 PolarHBondContact O-N 3.22Å; G7-A9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | A | 29.1 | Very low | 35.1 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -66 | 107.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.3 | L6 C10 | L6-A8 PolarHBondContact O-N 3.27Å; A8-C10 PolarHBondContact O-N 3.33Å | ||
| 9 | A | 29.8 | Very low | 36.4 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -68.7 | 120.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109 | G7 T11 | G7-A9 PolarHBondContact O-N 3.22Å; G7-A9 VanDerWaalsContact O-N 3.08Å; A9-T11 PolarHBondContact O-N 2.86Å | ||
| 10 | C | 29.6 | Very low | 37.4 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | trans | -65.3 | 96.3 | 166.8 | -67.2 | 0 | 0 | 0 | 0 | 108 | A8 | A8-C10 PolarHBondContact O-N 3.33Š| ||
| 11 | T | 29.8 | Very low | 38.3 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -74.4 | 128.9 | 171.4 | 46.4 | 0 | 0 | 0 | 0 | 108.6 | A9 S13 | A9-T11 PolarHBondContact O-N 2.86Å; T11-S13 PolarHBondContact O-N 3.05Å | ||
| 12 | P | 34.1 | Very low | 39.2 | Very low | 130 Ų | 130 | 117.5 Ų | 117.5 | 84% | 0.844 | 75% | 0.749 | S | S | * | * | trans | -67.9 | 108.1 | 175.6 | 24.7 | -30.2 | 0 | 0 | 0 | 109.3 | ||||
| 13 | S | 32.6 | Very low | 40.2 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 146.3 | 168.6 | -168.1 | 0 | 0 | 0 | 0 | 109.5 | T11 S15 | T11-S13 PolarHBondContact O-N 3.05Å; S13-S15 PolarHBondContact O-N 3.37Å; S13-S15 VanDerWaalsContact O-N 3.17Å |
| 14 | P | 39.3 | Very low | 41.2 | Very low | 118 Ų | 118 | 116 Ų | 116 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 124.3 | 175.8 | 21.1 | -33 | 0 | 0 | 0 | 110.4 | P16 | P14-P16 VanDerWaalsContact O-CD 3.23Å; P14-P16 WeakPolarHBondContact O-CD 3.36Å |
| 15 | S | 41.5 | Very low | 42.3 | Very low | 91 Ų | 91 | 115.9 Ų | 115.9 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 117.9 | 179.8 | -46 | 0 | 0 | 0 | 0 | 109.8 | S13 W17 | S13-S15 PolarHBondContact O-N 3.37Å; S13-S15 VanDerWaalsContact O-N 3.17Å; S15-W17 PolarHBondContact O-N 3.46Å |
| 16 | P | 44.9 | Very low | 43.6 | Very low | 97 Ų | 97 | 114.1 Ų | 114.1 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 122.1 | 173.1 | 28.6 | -30 | 0 | 0 | 0 | 109.5 | P14 | P14-P16 VanDerWaalsContact O-CD 3.23Å; P14-P16 WeakPolarHBondContact O-CD 3.36Å |
| 17 | W | 47.8 | Very low | 45.4 | Very low | 198 Ų | 198 | 113.1 Ų | 113.1 | 75% | 0.75 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 128 | 168.2 | -39.8 | 91.1 | 0 | 0 | 0 | 108.3 | S15 | S15-W17 PolarHBondContact O-N 3.46Š|
| 18 | R | 55.2 | Low | 47.9 | Very low | 215 Ų | 215 | 112.4 Ų | 112.4 | 81% | 0.811 | 70% | 0.7 | S | S | * | * | trans | -112.2 | 126.8 | 169.6 | -84.4 | -175.2 | -95.1 | -104.2 | 0.6 | 108.3 | P20 | R18-P20 WeakPolarHBondContact O-CD 3.42Š| ||
| 19 | T | 58.8 | Low | 50.5 | Low | 132 Ų | 132 | 111.9 Ų | 111.9 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | trans | -106.7 | 99.1 | 174.3 | 48 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 20 | P | 57.4 | Low | 53.2 | Low | 65 Ų | 65 | 108.6 Ų | 108.6 | 42% | 0.422 | 66% | 0.656 | S | S | . | * | trans | -68.4 | 139.2 | 171.5 | 10.4 | -3.4 | 0 | 0 | 0 | 110.2 | R18 F35 | R18-P20 WeakPolarHBondContact O-CD 3.42Å; P20-F35 HydrophobicContact CB-CD1 4.22Å; P20-F35 HydrophobicContact CB-CE1 3.92Å; P20-F35 HydrophobicContact CB-CE2 4.45Å; P20-F35 HydrophobicContact CB-CZ 4.04Å; P20-F35 HydrophobicContact CG-CD1 4.35Å; P20-F35 HydrophobicContact CG-CD2 4Å; P20-F35 HydrophobicContact CG-CE1 4.18Å; P20-F35 HydrophobicContact CG-CE2 3.83Å; P20-F35 HydrophobicContact CG-CG 4.26Å; P20-F35 HydrophobicContact CG-CZ 3.91Å | ||
| 21 | T | 56.5 | Low | 56 | Low | 91 Ų | 91 | 107.7 Ų | 107.7 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | trans | -95.6 | 136.5 | 170.2 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | S23 | T21-S23 PolarHBondContact O-N 3.36Å; T21-S23 VanDerWaalsContact O-N 3.09Å | ||
| 22 | S | 53.7 | Low | 58.9 | Low | 116 Ų | 116 | 108.1 Ų | 108.1 | 81% | 0.811 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -9.4 | -178.4 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | S24 | S22-S24 VanDerWaalsContact C-N 3.31Å; S22-S24 PolarHBondContact O-N 2.65Å |
| 23 | S | 54.1 | Low | 61.4 | Low | 104 Ų | 104 | 102.2 Ų | 102.2 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -6.6 | -176.7 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | T21 | T21-S23 PolarHBondContact O-N 3.36Å; T21-S23 VanDerWaalsContact O-N 3.09Å |
| 24 | S | 50.7 | Low | 64.1 | Low | 65 Ų | 65 | 97.9 Ų | 97.9 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -99.2 | 116.8 | 177.9 | -46.8 | 0 | 0 | 0 | 0 | 107.5 | S22 T26 | S22-S24 VanDerWaalsContact C-N 3.31Å; S22-S24 PolarHBondContact O-N 2.65Å; S24-T26 PolarHBondContact O-N 3.06Å |
| 25 | G | 53.4 | Low | 66.4 | Low | 93 Ų | 93 | 97.5 Ų | 97.5 | 96% | 0.959 | 57% | 0.566 | S | S | * | * | trans | -65.8 | 30.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 26 | T | 58.3 | Low | 68.4 | Low | 105 Ų | 105 | 96.3 Ų | 96.3 | 64% | 0.644 | 56% | 0.555 | S | S | * | * | trans | -96.7 | 107.3 | -179 | -42.3 | 0 | 0 | 0 | 0 | 107.8 | S24 V28 | S24-T26 PolarHBondContact O-N 3.06Å; T26-V28 PolarHBondContact O-N 3.48Å; T26-V28 VanDerWaalsContact O-N 3.17Å | ||
| 27 | Q | 69.3 | Low | 70.1 | Confident | 151 Ų | 151 | 101.1 Ų | 101.1 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | trans | -63.5 | 114.9 | 167.5 | -173.4 | 170.9 | 1 | 0 | 0 | 107.8 | ||||
| 28 | V | 79.8 | Confident | 71.9 | Confident | 56 Ų | 56 | 94.6 Ų | 94.6 | 34% | 0.339 | 55% | 0.549 | S | S | . | . | trans | -85.4 | 145.3 | 175 | -61.7 | 0 | 0 | 0 | 0 | 108.8 | T26 T34 F35 | T26-V28 PolarHBondContact O-N 3.48Å; T26-V28 VanDerWaalsContact O-N 3.17Å; V28-T34 WeakPolarHBondContact CG2-O 3.31Å; V28-T34 VanDerWaalsContact O-CA 3.29Å; V28-T34 WeakPolarHBondContact O-CA 3.05Å; V28-F35 HydrophobicContact CG2-CB 3.28Å; V28-F35 HydrophobicContact CG2-CG 4.3Å | ||
| 29 | Q | 83.3 | Confident | 73.3 | Confident | 88 Ų | 88 | 92.5 Ų | 92.5 | 41% | 0.411 | 55% | 0.549 | S | S | . | . | trans | -146.8 | 125.9 | 172.3 | -168.7 | 177.4 | 10.5 | 0 | 0 | 108.5 | L44 T45 F61 | Q29-L44 PolarHBondContact NE2-O 3.19Å; Q29-T45 PolarHBondContact NE2-O 3.12Å; Q29-F61 HydrophobicContact CG-CE1 4.35Å; Q29-F61 HydrophobicContact CG-CZ 4.18Å | ||
| 30 | G | 87.1 | Confident | 74.7 | Confident | 18 Ų | 18 | 94 Ų | 94 | 19% | 0.186 | 55% | 0.546 | C | S | . | . | B | Isolated β-bridge | trans | 176.7 | -171.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C32 G33 F57 F61 | G30-C32 PolarHBondContact O-N 3.09Å; G30-G33 PolarHBondContact N-O 2.81Å; G30-G33 PolarHBondContact O-N 3.08Å; G30-F57 WeakPolarHBondContact O-CZ 2.97Å; G30-F61 VanDerWaalsContact CA-CE1 3.41Å |
| 31 | L | 89.4 | Confident | 76.2 | Confident | 111 Ų | 111 | 92.6 Ų | 92.6 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -12.9 | 175.5 | -65.4 | 176.4 | 0 | 0 | 0 | 114.1 | F57 A58 F61 | L31-F57 HydrophobicContact CD2-CE1 4.31Å; L31-A58 HydrophobicContact CD2-CB 3.99Å; L31-F61 HydrophobicContact CD2-CB 3.85Å; L31-F61 HydrophobicContact CD2-CD2 4.18Å; L31-F61 HydrophobicContact CD2-CG 4.17Å; L31-F61 HydrophobicContact CG-CB 4.12Å; L31-F61 HydrophobicContact CG-CG 4.48Å |
| 32 | C | 89.1 | Confident | 77.8 | Confident | 130 Ų | 130 | 90.6 Ų | 90.6 | 88% | 0.878 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 12.6 | 174.5 | -58.7 | 0 | 0 | 0 | 0 | 113 | G30 | G30-C32 PolarHBondContact O-N 3.09Š|
| 33 | G | 88.1 | Confident | 79.6 | Confident | 5 Ų | 5 | 88.4 Ų | 88.4 | 5% | 0.052 | 50% | 0.497 | C | S | . | . | B | Isolated β-bridge | trans | 82.5 | -158 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G30 D42 | G30-G33 PolarHBondContact N-O 2.81Å; G30-G33 PolarHBondContact O-N 3.08Å; G33-D42 WeakPolarHBondContact CA-O 3.44Å |
| 34 | T | 88.3 | Confident | 81.4 | Confident | 6 Ų | 6 | 85.2 Ų | 85.2 | 4% | 0.037 | 47% | 0.472 | C | S | . | . | trans | -103.3 | -13.9 | -173 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | V28 T36 D41 D42 L44 | V28-T34 WeakPolarHBondContact CG2-O 3.31Å; V28-T34 VanDerWaalsContact O-CA 3.29Å; V28-T34 WeakPolarHBondContact O-CA 3.05Å; T34-T36 PolarHBondContact O-N 2.86Å; T34-T36 WeakPolarHBondContact OG1-CG2 3.3Å; T34-T36 PolarHBondContact OG1-N 3.4Å; T34-T36 PolarHBondContact OG1-OG1 3.48Å; T34-T36 VanDerWaalsContact OG1-OG1 3.08Å; T34-D41 WeakPolarHBondContact CB-OD1 3.48Å; T34-D41 WeakPolarHBondContact CG2-O 3.34Å; T34-D41 PolarHBondContact OG1-OD1 3.09Å; T34-D42 PolarHBondContact N-OD1 2.94Å; T34-L44 HydrophobicContact CG2-CB 3.92Å; T34-L44 HydrophobicContact CG2-CD2 4.1Å | ||
| 35 | F | 86.9 | Confident | 83.3 | Confident | 110 Ų | 110 | 82.2 Ų | 82.2 | 48% | 0.482 | 45% | 0.45 | S | S | . | . | trans | 57.5 | 30.2 | -176.2 | -162.9 | -115.7 | 0 | 0 | 0 | 114.1 | P20 V28 Q37 | P20-F35 HydrophobicContact CB-CD1 4.22Å; P20-F35 HydrophobicContact CB-CE1 3.92Å; P20-F35 HydrophobicContact CB-CE2 4.45Å; P20-F35 HydrophobicContact CB-CZ 4.04Å; P20-F35 HydrophobicContact CG-CD1 4.35Å; P20-F35 HydrophobicContact CG-CD2 4Å; P20-F35 HydrophobicContact CG-CE1 4.18Å; P20-F35 HydrophobicContact CG-CE2 3.83Å; P20-F35 HydrophobicContact CG-CG 4.26Å; P20-F35 HydrophobicContact CG-CZ 3.91Å; V28-F35 HydrophobicContact CG2-CB 3.28Å; V28-F35 HydrophobicContact CG2-CG 4.3Å; F35-Q37 VanDerWaalsContact C-N 3.33Å | ||
| 36 | T | 84.8 | Confident | 84.9 | Confident | 66 Ų | 66 | 81.5 Ų | 81.5 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -87.4 | 0.5 | 177.5 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | T34 N38 D41 | T34-T36 PolarHBondContact O-N 2.86Å; T34-T36 WeakPolarHBondContact OG1-CG2 3.3Å; T34-T36 PolarHBondContact OG1-N 3.4Å; T34-T36 PolarHBondContact OG1-OG1 3.48Å; T34-T36 VanDerWaalsContact OG1-OG1 3.08Å; T36-N38 PolarHBondContact O-N 2.83Å; T36-N38 PolarHBondContact OG1-N 3.45Å; T36-D41 PolarHBondContact OG1-OD1 2.04Å; T36-D41 PolarHBondContact OG1-OD2 3.22Å |
| 37 | Q | 80.9 | Confident | 86.3 | Confident | 198 Ų | 198 | 80.7 Ų | 80.7 | 93% | 0.925 | 43% | 0.433 | S | S | * | . | S | Bend | trans | 64.2 | 10.2 | -166.9 | -50.9 | -178.5 | 23.1 | 0 | 0 | 114.5 | F35 | F35-Q37 VanDerWaalsContact C-N 3.33Š|
| 38 | N | 84.7 | Confident | 87.2 | Confident | 62 Ų | 62 | 76.1 Ų | 76.1 | 33% | 0.332 | 43% | 0.427 | S | S | . | . | trans | -109.9 | 101.1 | 176.6 | 174.8 | 27.6 | 0 | 0 | 0 | 110.8 | T36 Q40 D41 | T36-N38 PolarHBondContact O-N 2.83Å; T36-N38 PolarHBondContact OG1-N 3.45Å; N38-Q40 PolarHBondContact O-N 3.46Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.45Å; N38-Q40 PolarHBondContact OD1-N 2.88Å; N38-D41 PolarHBondContact ND2-OD2 2.79Å; N38-D41 PolarHBondContact O-N 3.25Å; N38-D41 VanDerWaalsContact O-N 3.11Å | ||
| 39 | Q | 85.4 | Confident | 87.8 | Confident | 171 Ų | 171 | 76.4 Ų | 76.4 | 80% | 0.799 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.5 | -179.6 | -69 | -179.4 | 8.4 | 0 | 0 | 114.1 | D41 D42 | Q39-D41 VanDerWaalsContact C-N 3.27Å; Q39-D41 PolarHBondContact O-N 3.25Å; Q39-D42 WeakPolarHBondContact CA-OD2 3.49Å |
| 40 | Q | 88.4 | Confident | 88.2 | Confident | 163 Ų | 163 | 75.8 Ų | 75.8 | 76% | 0.762 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.8 | -179.8 | -58.4 | -176.1 | 6.6 | 0 | 0 | 113 | N38 | N38-Q40 PolarHBondContact O-N 3.46Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.45Å; N38-Q40 PolarHBondContact OD1-N 2.88Å |
| 41 | D | 88.9 | Confident | 88.4 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 19% | 0.193 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 1.7 | 178.7 | 67.6 | 34.6 | 0 | 0 | 0 | 113 | T34 T36 N38 Q39 F43 L44 | T34-D41 WeakPolarHBondContact CB-OD1 3.48Å; T34-D41 WeakPolarHBondContact CG2-O 3.34Å; T34-D41 PolarHBondContact OG1-OD1 3.09Å; T36-D41 PolarHBondContact OG1-OD1 2.04Å; T36-D41 PolarHBondContact OG1-OD2 3.22Å; N38-D41 PolarHBondContact ND2-OD2 2.79Å; N38-D41 PolarHBondContact O-N 3.25Å; N38-D41 VanDerWaalsContact O-N 3.11Å; Q39-D41 VanDerWaalsContact C-N 3.27Å; Q39-D41 PolarHBondContact O-N 3.25Å; D41-F43 PolarHBondContact O-N 3.14Å; D41-F43 VanDerWaalsContact O-N 3.08Å; D41-L44 WeakPolarHBondContact O-CB 3.05Å; D41-L44 PolarHBondContact O-N 3.4Å |
| 42 | D | 89.3 | Confident | 88.3 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 26% | 0.257 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21 | 178.7 | -82.5 | -26.9 | 0 | 0 | 0 | 112.8 | G33 T34 Q39 F57 | G33-D42 WeakPolarHBondContact CA-O 3.44Å; T34-D42 PolarHBondContact N-OD1 2.94Å; Q39-D42 WeakPolarHBondContact CA-OD2 3.49Å; D42-F57 WeakPolarHBondContact O-CZ 3.04Å |
| 43 | F | 92.3 | Very high | 88.1 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 31% | 0.311 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 22 | 173.3 | -64.9 | -12.2 | 0 | 0 | 0 | 114.3 | D41 T45 V50 E51 I54 F57 | D41-F43 PolarHBondContact O-N 3.14Å; D41-F43 VanDerWaalsContact O-N 3.08Å; F43-T45 PolarHBondContact O-N 3.43Å; F43-V50 HydrophobicContact CB-CG1 4.29Å; F43-E51 VanDerWaalsContact CB-O 3.31Å; F43-E51 WeakPolarHBondContact CB-O 3.39Å; F43-E51 WeakPolarHBondContact CD2-O 3.46Å; F43-E51 PolarHBondContact O-N 3.13Å; F43-E51 VanDerWaalsContact O-N 3.1Å; F43-I54 HydrophobicContact CE2-CG1 4.03Å; F43-I54 HydrophobicContact CZ-CG1 3.65Å; F43-F57 VanDerWaalsContact C-CD2 3.46Å; F43-F57 VanDerWaalsContact C-CE2 3.41Å; F43-F57 VanDerWaalsContact CA-CD2 3.43Å; F43-F57 HydrophobicContact CB-CB 4.27Å; F43-F57 HydrophobicContact CB-CD2 3.82Å; F43-F57 HydrophobicContact CB-CE2 4.28Å; F43-F57 HydrophobicContact CB-CG 3.99Å; F43-F57 HydrophobicContact CD1-CB 4.33Å; F43-F57 AromaticContact CD1-CD1 3.59Å; F43-F57 HydrophobicContact CD1-CD1 3.59Å; F43-F57 HydrophobicContact CD1-CD2 4.26Å; F43-F57 AromaticContact CD1-CE1 3.85Å; F43-F57 HydrophobicContact CD1-CE1 3.85Å; F43-F57 HydrophobicContact CD1-CE2 4.46Å; F43-F57 AromaticContact CD1-CG 3.8Å; F43-F57 HydrophobicContact CD1-CG 3.8Å; F43-F57 HydrophobicContact CD1-CZ 4.28Å; F43-F57 HydrophobicContact CE1-CD1 4.07Å; F43-F57 HydrophobicContact CE1-CE1 4.38Å; F43-F57 HydrophobicContact CG-CB 4.18Å; F43-F57 HydrophobicContact CG-CD1 4.25Å; F43-F57 HydrophobicContact CG-CD2 4.3Å; F43-F57 AromaticContact CG-CG 3.99Å; F43-F57 HydrophobicContact CG-CG 3.99Å; F43-F57 VanDerWaalsContact O-CD2 3.28Å; F43-F57 WeakPolarHBondContact O-CD2 3.4Å |
| 44 | L | 91.9 | Very high | 87.9 | Confident | 37 Ų | 37 | 79.5 Ų | 79.5 | 19% | 0.194 | 44% | 0.441 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 117.6 | 172.8 | -174.5 | 71.5 | 0 | 0 | 0 | 111.1 | Q29 T34 D41 G48 D49 V50 | Q29-L44 PolarHBondContact NE2-O 3.19Å; T34-L44 HydrophobicContact CG2-CB 3.92Å; T34-L44 HydrophobicContact CG2-CD2 4.1Å; D41-L44 WeakPolarHBondContact O-CB 3.05Å; D41-L44 PolarHBondContact O-N 3.4Å; L44-G48 WeakPolarHBondContact CD1-O 3.45Å; L44-D49 WeakPolarHBondContact CA-O 3.22Å; L44-V50 HydrophobicContact CB-CG2 4.44Å; L44-V50 HydrophobicContact CD1-CG2 3.82Å |
| 45 | T | 89.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.006 | 46% | 0.46 | C | S | . | . | trans | -85.2 | 164 | -179.1 | 97.8 | 0 | 0 | 0 | 0 | 112.2 | Q29 F43 A47 G48 D49 E51 F57 K60 | Q29-T45 PolarHBondContact NE2-O 3.12Å; F43-T45 PolarHBondContact O-N 3.43Å; T45-A47 PolarHBondContact O-N 3.32Å; T45-A47 PolarHBondContact OG1-N 3.42Å; T45-G48 PolarHBondContact O-N 3.02Å; T45-D49 WeakPolarHBondContact CG2-O 3.48Å; T45-D49 PolarHBondContact N-O 3.48Å; T45-D49 PolarHBondContact OG1-OD1 3.46Å; T45-E51 HydrophobicContact CG2-CB 4.38Å; T45-E51 HydrophobicContact CG2-CG 3.48Å; T45-E51 VanDerWaalsContact CG2-CG 3.48Å; T45-F57 HydrophobicContact CG2-CD2 4.43Å; T45-K60 HydrophobicContact CG2-CB 4.23Å; T45-K60 HydrophobicContact CG2-CG 3.91Å | ||
| 46 | P | 87.8 | Confident | 87.5 | Confident | 79 Ų | 79 | 77.7 Ų | 77.7 | 51% | 0.513 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.6 | 176 | -22.2 | 35.1 | 0 | 0 | 0 | 114.1 | G48 F61 | P46-G48 VanDerWaalsContact C-N 3.33Å; P46-F61 HydrophobicContact CG-CD1 4.09Å; P46-F61 HydrophobicContact CG-CE1 3.68Å; P46-F61 HydrophobicContact CG-CE2 4.38Å; P46-F61 HydrophobicContact CG-CZ 3.87Å |
| 47 | A | 87.9 | Confident | 87.8 | Confident | 88 Ų | 88 | 74.9 Ų | 74.9 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T45 | T45-A47 PolarHBondContact O-N 3.32Å; T45-A47 PolarHBondContact OG1-N 3.42Å |
| 48 | G | 88.6 | Confident | 88 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 57% | 0.567 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 88.1 | 1.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L44 T45 P46 | L44-G48 WeakPolarHBondContact CD1-O 3.45Å; T45-G48 PolarHBondContact O-N 3.02Å; P46-G48 VanDerWaalsContact C-N 3.33Å |
| 49 | D | 91.4 | Very high | 88 | Confident | 61 Ų | 61 | 66.8 Ų | 66.8 | 33% | 0.326 | 40% | 0.402 | S | S | . | . | trans | -86.6 | 157.1 | 169.3 | 59.1 | -37.3 | 0 | 0 | 0 | 111.6 | L44 T45 K60 | L44-D49 WeakPolarHBondContact CA-O 3.22Å; T45-D49 WeakPolarHBondContact CG2-O 3.48Å; T45-D49 PolarHBondContact N-O 3.48Å; T45-D49 PolarHBondContact OG1-OD1 3.46Å; D49-K60 IonicContact OD2-NZ 3.9Å | ||
| 50 | V | 91.9 | Very high | 88.1 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -107.7 | 118.9 | 174.7 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | F43 L44 | F43-V50 HydrophobicContact CB-CG1 4.29Å; L44-V50 HydrophobicContact CB-CG2 4.44Å; L44-V50 HydrophobicContact CD1-CG2 3.82Å |
| 51 | E | 91.8 | Very high | 88 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | trans | -81.4 | 152.1 | 178.4 | -73.7 | -74.1 | -173.6 | 0 | 0 | 111.2 | F43 T45 A56 F57 K60 | F43-E51 VanDerWaalsContact CB-O 3.31Å; F43-E51 WeakPolarHBondContact CB-O 3.39Å; F43-E51 WeakPolarHBondContact CD2-O 3.46Å; F43-E51 PolarHBondContact O-N 3.13Å; F43-E51 VanDerWaalsContact O-N 3.1Å; T45-E51 HydrophobicContact CG2-CB 4.38Å; T45-E51 HydrophobicContact CG2-CG 3.48Å; T45-E51 VanDerWaalsContact CG2-CG 3.48Å; E51-A56 HydrophobicContact CB-CB 4.49Å; E51-A56 HydrophobicContact CG-CB 4.32Å; E51-F57 HydrophobicContact CB-CB 3.94Å; E51-K60 WeakPolarHBondContact OE1-CE 3.44Å; E51-K60 IonicContact OE1-NZ 3.11Å; E51-K60 PolarHBondContact OE1-NZ 2.9Å; E51-K60 VanDerWaalsContact OE1-NZ 3.11Å | ||
| 52 | T | 87.3 | Confident | 87.7 | Confident | 140 Ų | 140 | 60.9 Ų | 60.9 | 86% | 0.859 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -99.5 | -12.6 | -179.6 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 53 | S | 83.7 | Confident | 87.2 | Confident | 50 Ų | 50 | 65.1 Ų | 65.1 | 35% | 0.35 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -121.1 | 142.2 | 179.1 | 80.7 | 0 | 0 | 0 | 0 | 111.6 | A55 A56 F57 | S53-A55 VanDerWaalsContact C-N 3.28Å; S53-A55 PolarHBondContact O-N 2.87Å; S53-A56 PolarHBondContact O-N 2.85Å; S53-A56 WeakPolarHBondContact OG-CB 3.19Å; S53-A56 PolarHBondContact OG-N 2.91Å; S53-A56 VanDerWaalsContact OG-N 3.11Å; S53-F57 WeakPolarHBondContact O-CB 3.39Å; S53-F57 PolarHBondContact O-N 3.02Å |
| 54 | I | 84.9 | Confident | 85.9 | Confident | 114 Ų | 114 | 66.9 Ų | 66.9 | 59% | 0.585 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.9 | -41.9 | 178.2 | -61.2 | 169.2 | 0 | 0 | 0 | 110.7 | F43 A58 | F43-I54 HydrophobicContact CE2-CG1 4.03Å; F43-I54 HydrophobicContact CZ-CG1 3.65Å; I54-A58 VanDerWaalsContact O-CB 3.26Å; I54-A58 WeakPolarHBondContact O-CB 3.41Å; I54-A58 PolarHBondContact O-N 2.95Å |
| 55 | A | 82.1 | Confident | 84.4 | Confident | 52 Ų | 52 | 67.9 Ų | 67.9 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.8 | -47.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S53 A58 S59 | S53-A55 VanDerWaalsContact C-N 3.28Å; S53-A55 PolarHBondContact O-N 2.87Å; A55-A58 PolarHBondContact O-N 2.94Å; A55-S59 WeakPolarHBondContact O-CB 3.03Å; A55-S59 PolarHBondContact O-N 3.13Å |
| 56 | A | 84.6 | Confident | 82.8 | Confident | 26 Ų | 26 | 79 Ų | 79 | 22% | 0.215 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | E51 S53 S59 K60 | E51-A56 HydrophobicContact CB-CB 4.49Å; E51-A56 HydrophobicContact CG-CB 4.32Å; S53-A56 PolarHBondContact O-N 2.85Å; S53-A56 WeakPolarHBondContact OG-CB 3.19Å; S53-A56 PolarHBondContact OG-N 2.91Å; S53-A56 VanDerWaalsContact OG-N 3.11Å; A56-S59 PolarHBondContact O-N 3.24Å; A56-S59 PolarHBondContact O-OG 3.16Å; A56-K60 WeakPolarHBondContact O-CG 3.24Å; A56-K60 PolarHBondContact O-N 3.39Å |
| 57 | F | 90 | Very high | 81.3 | Confident | 7 Ų | 7 | 77.9 Ų | 77.9 | 3% | 0.031 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -55.3 | -55.9 | 175.1 | 172.7 | -112.6 | 0 | 0 | 0 | 112.3 | G30 L31 D42 F43 T45 E51 S53 S59 K60 F61 | G30-F57 WeakPolarHBondContact O-CZ 2.97Å; L31-F57 HydrophobicContact CD2-CE1 4.31Å; D42-F57 WeakPolarHBondContact O-CZ 3.04Å; F43-F57 VanDerWaalsContact C-CD2 3.46Å; F43-F57 VanDerWaalsContact C-CE2 3.41Å; F43-F57 VanDerWaalsContact CA-CD2 3.43Å; F43-F57 HydrophobicContact CB-CB 4.27Å; F43-F57 HydrophobicContact CB-CD2 3.82Å; F43-F57 HydrophobicContact CB-CE2 4.28Å; F43-F57 HydrophobicContact CB-CG 3.99Å; F43-F57 HydrophobicContact CD1-CB 4.33Å; F43-F57 AromaticContact CD1-CD1 3.59Å; F43-F57 HydrophobicContact CD1-CD1 3.59Å; F43-F57 HydrophobicContact CD1-CD2 4.26Å; F43-F57 AromaticContact CD1-CE1 3.85Å; F43-F57 HydrophobicContact CD1-CE1 3.85Å; F43-F57 HydrophobicContact CD1-CE2 4.46Å; F43-F57 AromaticContact CD1-CG 3.8Å; F43-F57 HydrophobicContact CD1-CG 3.8Å; F43-F57 HydrophobicContact CD1-CZ 4.28Å; F43-F57 HydrophobicContact CE1-CD1 4.07Å; F43-F57 HydrophobicContact CE1-CE1 4.38Å; F43-F57 HydrophobicContact CG-CB 4.18Å; F43-F57 HydrophobicContact CG-CD1 4.25Å; F43-F57 HydrophobicContact CG-CD2 4.3Å; F43-F57 AromaticContact CG-CG 3.99Å; F43-F57 HydrophobicContact CG-CG 3.99Å; F43-F57 VanDerWaalsContact O-CD2 3.28Å; F43-F57 WeakPolarHBondContact O-CD2 3.4Å; T45-F57 HydrophobicContact CG2-CD2 4.43Å; E51-F57 HydrophobicContact CB-CB 3.94Å; S53-F57 WeakPolarHBondContact O-CB 3.39Å; S53-F57 PolarHBondContact O-N 3.02Å; F57-S59 PolarHBondContact O-N 3.43Å; F57-K60 WeakPolarHBondContact O-CB 3.14Å; F57-K60 PolarHBondContact O-N 3.04Å; F57-F61 HydrophobicContact CD2-CD2 4.39Å; F57-F61 AromaticContact CD2-CE2 3.8Å; F57-F61 HydrophobicContact CD2-CE2 3.8Å; F57-F61 HydrophobicContact CE1-CE2 4.46Å; F57-F61 HydrophobicContact CE2-CD2 4.05Å; F57-F61 AromaticContact CE2-CE2 3.21Å; F57-F61 HydrophobicContact CE2-CE2 3.21Å; F57-F61 AromaticContact CE2-CZ 3.92Å; F57-F61 HydrophobicContact CE2-CZ 3.92Å; F57-F61 HydrophobicContact CZ-CD2 4.21Å; F57-F61 AromaticContact CZ-CE2 3.61Å; F57-F61 HydrophobicContact CZ-CE2 3.61Å; F57-F61 HydrophobicContact CZ-CZ 4.19Å; F57-F61 WeakPolarHBondContact O-CD2 3.4Å |
| 58 | A | 86.8 | Confident | 80 | Confident | 39 Ų | 39 | 85.4 Ų | 85.4 | 32% | 0.322 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -33.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L31 I54 A55 K60 F61 | L31-A58 HydrophobicContact CD2-CB 3.99Å; I54-A58 VanDerWaalsContact O-CB 3.26Å; I54-A58 WeakPolarHBondContact O-CB 3.41Å; I54-A58 PolarHBondContact O-N 2.95Å; A55-A58 PolarHBondContact O-N 2.94Å; A58-K60 PolarHBondContact O-N 2.89Å; A58-F61 PolarHBondContact O-N 2.83Å |
| 59 | S | 83.9 | Confident | 78.6 | Confident | 51 Ų | 51 | 87 Ų | 87 | 36% | 0.357 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -29.6 | 177.5 | 79.3 | 0 | 0 | 0 | 0 | 113.3 | A55 A56 F57 F61 Q62 | A55-S59 WeakPolarHBondContact O-CB 3.03Å; A55-S59 PolarHBondContact O-N 3.13Å; A56-S59 PolarHBondContact O-N 3.24Å; A56-S59 PolarHBondContact O-OG 3.16Å; F57-S59 PolarHBondContact O-N 3.43Å; S59-F61 PolarHBondContact O-N 3.15Å; S59-Q62 VanDerWaalsContact O-CG 3.31Å; S59-Q62 WeakPolarHBondContact O-CG 3.21Å; S59-Q62 PolarHBondContact O-N 3.23Å |
| 60 | K | 87.6 | Confident | 77.1 | Confident | 94 Ų | 94 | 89.3 Ų | 89.3 | 41% | 0.409 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.5 | -179.6 | -57.7 | -81.3 | 178.6 | 141 | 0 | 113.2 | T45 D49 E51 A56 F57 A58 | T45-K60 HydrophobicContact CG2-CB 4.23Å; T45-K60 HydrophobicContact CG2-CG 3.91Å; D49-K60 IonicContact OD2-NZ 3.9Å; E51-K60 WeakPolarHBondContact OE1-CE 3.44Å; E51-K60 IonicContact OE1-NZ 3.11Å; E51-K60 PolarHBondContact OE1-NZ 2.9Å; E51-K60 VanDerWaalsContact OE1-NZ 3.11Å; A56-K60 WeakPolarHBondContact O-CG 3.24Å; A56-K60 PolarHBondContact O-N 3.39Å; F57-K60 WeakPolarHBondContact O-CB 3.14Å; F57-K60 PolarHBondContact O-N 3.04Å; A58-K60 PolarHBondContact O-N 2.89Å |
| 61 | F | 86.3 | Confident | 75.3 | Confident | 44 Ų | 44 | 89.5 Ų | 89.5 | 19% | 0.193 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 10.5 | 177.8 | -70.6 | -91.4 | 0 | 0 | 0 | 113.1 | Q29 G30 L31 P46 F57 A58 S59 V63 | Q29-F61 HydrophobicContact CG-CE1 4.35Å; Q29-F61 HydrophobicContact CG-CZ 4.18Å; G30-F61 VanDerWaalsContact CA-CE1 3.41Å; L31-F61 HydrophobicContact CD2-CB 3.85Å; L31-F61 HydrophobicContact CD2-CD2 4.18Å; L31-F61 HydrophobicContact CD2-CG 4.17Å; L31-F61 HydrophobicContact CG-CB 4.12Å; L31-F61 HydrophobicContact CG-CG 4.48Å; P46-F61 HydrophobicContact CG-CD1 4.09Å; P46-F61 HydrophobicContact CG-CE1 3.68Å; P46-F61 HydrophobicContact CG-CE2 4.38Å; P46-F61 HydrophobicContact CG-CZ 3.87Å; F57-F61 HydrophobicContact CD2-CD2 4.39Å; F57-F61 AromaticContact CD2-CE2 3.8Å; F57-F61 HydrophobicContact CD2-CE2 3.8Å; F57-F61 HydrophobicContact CE1-CE2 4.46Å; F57-F61 HydrophobicContact CE2-CD2 4.05Å; F57-F61 AromaticContact CE2-CE2 3.21Å; F57-F61 HydrophobicContact CE2-CE2 3.21Å; F57-F61 AromaticContact CE2-CZ 3.92Å; F57-F61 HydrophobicContact CE2-CZ 3.92Å; F57-F61 HydrophobicContact CZ-CD2 4.21Å; F57-F61 AromaticContact CZ-CE2 3.61Å; F57-F61 HydrophobicContact CZ-CE2 3.61Å; F57-F61 HydrophobicContact CZ-CZ 4.19Å; F57-F61 WeakPolarHBondContact O-CD2 3.4Å; A58-F61 PolarHBondContact O-N 2.83Å; S59-F61 PolarHBondContact O-N 3.15Å; F61-V63 PolarHBondContact O-N 3.32Å |
| 62 | Q | 82.3 | Confident | 73.5 | Confident | 107 Ų | 107 | 94.4 Ų | 94.4 | 50% | 0.5 | 55% | 0.553 | S | S | . | * | trans | -64.1 | 119.7 | 174.6 | -69.6 | 179.7 | 31.4 | 0 | 0 | 110.5 | S59 | S59-Q62 VanDerWaalsContact O-CG 3.31Å; S59-Q62 WeakPolarHBondContact O-CG 3.21Å; S59-Q62 PolarHBondContact O-N 3.23Å | ||
| 63 | V | 78.3 | Confident | 71.6 | Confident | 137 Ų | 137 | 94.6 Ų | 94.6 | 83% | 0.83 | 55% | 0.549 | S | S | * | . | trans | -79 | 131.9 | 173.7 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | F61 G65 | F61-V63 PolarHBondContact O-N 3.32Å; V63-G65 PolarHBondContact O-N 3.24Å | ||
| 64 | A | 64.7 | Low | 69.9 | Low | 109 Ų | 109 | 96.3 Ų | 96.3 | 90% | 0.901 | 56% | 0.561 | S | S | * | * | trans | -62.8 | 102.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 65 | G | 60.3 | Low | 68.2 | Low | 57 Ų | 57 | 94.8 Ų | 94.8 | 59% | 0.588 | 57% | 0.565 | S | S | * | * | trans | -120.3 | 172.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V63 G67 | V63-G65 PolarHBondContact O-N 3.24Å; G65-G67 PolarHBondContact O-N 3.46Å | ||
| 66 | K | 56 | Low | 67 | Low | 236 Ų | 236 | 99 Ų | 99 | 100% | 1.026 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -65.3 | 13.2 | 179.9 | -83.4 | -172.9 | 176.2 | -176.7 | 0 | 115.4 | ||
| 67 | G | 58.1 | Low | 65.9 | Low | 55 Ų | 55 | 103.3 Ų | 103.3 | 57% | 0.567 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -143.5 | 127.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109 | G65 C69 | G65-G67 PolarHBondContact O-N 3.46Å; G67-C69 PolarHBondContact O-N 2.68Å |
| 68 | R | 58.6 | Low | 65.2 | Low | 246 Ų | 246 | 105.4 Ų | 105.4 | 93% | 0.928 | 61% | 0.614 | S | S | * | * | trans | -78.9 | 113 | 170.8 | -145.9 | 172.4 | -169.2 | -119.1 | 1.8 | 106.3 | P70 | R68-P70 WeakPolarHBondContact O-CD 3.5Š| ||
| 69 | C | 60.2 | Low | 64.9 | Low | 89 Ų | 89 | 105.6 Ų | 105.6 | 60% | 0.601 | 61% | 0.612 | S | S | * | * | trans | -64.2 | 124.2 | 164.5 | -68.2 | 0 | 0 | 0 | 0 | 106.6 | G67 S71 | G67-C69 PolarHBondContact O-N 2.68Å; C69-S71 PolarHBondContact O-N 3.35Å | ||
| 70 | P | 59.9 | Low | 65.1 | Low | 108 Ų | 108 | 103.6 Ų | 103.6 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | trans | -52.5 | 136.1 | 171.7 | -22.7 | 32.9 | 0 | 0 | 0 | 109.1 | R68 E72 | R68-P70 WeakPolarHBondContact O-CD 3.5Å; P70-E72 PolarHBondContact O-N 3.47Å; P70-E72 VanDerWaalsContact O-N 3.11Å | ||
| 71 | S | 54.4 | Low | 65 | Low | 79 Ų | 79 | 103 Ų | 103 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | trans | -64.4 | 114.3 | 168.1 | 53.1 | 0 | 0 | 0 | 0 | 106.8 | C69 D73 | C69-S71 PolarHBondContact O-N 3.35Å; S71-D73 PolarHBondContact O-N 3.1Å; S71-D73 PolarHBondContact OG-OD2 3.03Å | ||
| 72 | E | 54.4 | Low | 64.9 | Low | 142 Ų | 142 | 104.8 Ų | 104.8 | 66% | 0.664 | 62% | 0.617 | S | S | * | * | trans | -76.3 | 76.1 | 171.6 | -62.9 | -120 | 122.4 | 0 | 0 | 107.4 | P70 S74 | P70-E72 PolarHBondContact O-N 3.47Å; P70-E72 VanDerWaalsContact O-N 3.11Å; E72-S74 PolarHBondContact O-N 2.01Å | ||
| 73 | D | 46.9 | Very low | 65 | Low | 144 Ų | 144 | 103 Ų | 103 | 77% | 0.77 | 61% | 0.608 | S | S | * | * | trans | -74.6 | 3.8 | 168.1 | -72.1 | -48.6 | 0 | 0 | 0 | 111.8 | S71 A75 | S71-D73 PolarHBondContact O-N 3.1Å; S71-D73 PolarHBondContact OG-OD2 3.03Å; D73-A75 PolarHBondContact O-N 3.35Å | ||
| 74 | S | 48 | Very low | 65.4 | Low | 86 Ų | 86 | 100.3 Ų | 100.3 | 60% | 0.601 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -70.1 | 112.3 | 168.1 | -58.9 | 0 | 0 | 0 | 0 | 107.7 | E72 L76 | E72-S74 PolarHBondContact O-N 2.01Å; S74-L76 PolarHBondContact O-N 2.88Å |
| 75 | A | 49.7 | Very low | 66.6 | Low | 83 Ų | 83 | 101.6 Ų | 101.6 | 69% | 0.686 | 58% | 0.583 | S | S | * | * | trans | -39.5 | 120.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | D73 L77 | D73-A75 PolarHBondContact O-N 3.35Å; A75-L77 PolarHBondContact O-N 2.04Å | ||
| 76 | L | 55.7 | Low | 68.1 | Low | 139 Ų | 139 | 102.5 Ų | 102.5 | 73% | 0.728 | 57% | 0.569 | S | S | * | * | trans | -63.1 | 74.1 | -178.5 | -71.6 | 167.2 | 0 | 0 | 0 | 108.8 | S74 S78 | S74-L76 PolarHBondContact O-N 2.88Å; L76-S78 PolarHBondContact O-N 2.88Å; L76-S78 VanDerWaalsContact O-N 3.09Å | ||
| 77 | L | 62.3 | Low | 69.8 | Low | 118 Ų | 118 | 94.5 Ų | 94.5 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | trans | -61.1 | 116.2 | 168.9 | -74.6 | 177.3 | 0 | 0 | 0 | 105 | A75 T81 T82 | A75-L77 PolarHBondContact O-N 2.04Å; L77-T81 WeakPolarHBondContact CB-OG1 3.04Å; L77-T82 HydrophobicContact CB-CG2 4.11Å | ||
| 78 | S | 73.8 | Confident | 71.5 | Confident | 51 Ų | 51 | 95.2 Ų | 95.2 | 36% | 0.357 | 54% | 0.535 | S | S | . | . | trans | -49.3 | 138.6 | 177.6 | 162.1 | 0 | 0 | 0 | 0 | 108.6 | L76 C80 T81 T82 | L76-S78 PolarHBondContact O-N 2.88Å; L76-S78 VanDerWaalsContact O-N 3.09Å; S78-C80 PolarHBondContact O-N 2.76Å; S78-C80 PolarHBondContact OG-N 2.82Å; S78-T81 PolarHBondContact N-OG1 2.9Å; S78-T81 WeakPolarHBondContact O-CA 2.91Å; S78-T81 WeakPolarHBondContact O-CB 3.04Å; S78-T81 PolarHBondContact O-N 2.85Å; S78-T81 PolarHBondContact O-OG1 2.97Å; S78-T82 PolarHBondContact O-N 2.98Å | ||
| 79 | P | 82.3 | Confident | 73.2 | Confident | 43 Ų | 43 | 90.1 Ų | 90.1 | 28% | 0.279 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -51.1 | -25.1 | 176.2 | -28.9 | 35.5 | 0 | 0 | 0 | 113.7 | T82 H83 A120 C123 | P79-T82 WeakPolarHBondContact CA-OG1 3.5Å; P79-T82 PolarHBondContact O-OG1 2.86Å; P79-H83 WeakPolarHBondContact O-CB 3.03Å; P79-H83 PolarHBondContact O-N 3.07Å; P79-H83 PolarHBondContact O-ND1 2.8Å; P79-A120 WeakPolarHBondContact CB-O 3.29Å; P79-A120 HydrophobicContact CG-CB 4.17Å; P79-C123 HydrophobicContact CB-CB 4.1Å |
| 80 | C | 86.4 | Confident | 74.8 | Confident | 8 Ų | 8 | 85.9 Ų | 85.9 | 5% | 0.054 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -75.4 | -21.5 | 174.3 | -60.5 | 0 | 0 | 0 | 0 | 114.4 | S78 H83 S84 L119 C123 | S78-C80 PolarHBondContact O-N 2.76Å; S78-C80 PolarHBondContact OG-N 2.82Å; C80-H83 CarbonylContact O-C 3.51Å; C80-S84 WeakPolarHBondContact O-CA 3.28Å; C80-S84 PolarHBondContact O-N 3.44Å; C80-L119 VanDerWaalsContact SG-C 3.54Å; C80-L119 PolarHBondContact SG-O 3.19Å; C80-C123 WeakPolarHBondContact CA-SG 3.24Å; C80-C123 HydrophobicContact CB-CB 3.83Å; C80-C123 WeakPolarHBondContact CB-SG 3.45Å; C80-C123 WeakPolarHBondContact SG-CB 3.4Å; C80-C123 CovalentContact SG-SG 2.04Å; C80-C123 PolarHBondContact SG-SG 3.08Å |
| 81 | T | 85.7 | Confident | 76.5 | Confident | 82 Ų | 82 | 85 Ų | 85 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -78.3 | -37.7 | 171.7 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | L77 S78 | L77-T81 WeakPolarHBondContact CB-OG1 3.04Å; S78-T81 PolarHBondContact N-OG1 2.9Å; S78-T81 WeakPolarHBondContact O-CA 2.91Å; S78-T81 WeakPolarHBondContact O-CB 3.04Å; S78-T81 PolarHBondContact O-N 2.85Å; S78-T81 PolarHBondContact O-OG1 2.97Å |
| 82 | T | 84.6 | Confident | 78.5 | Confident | 81 Ų | 81 | 84.7 Ų | 84.7 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74 | -34.6 | 176.1 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | L77 S78 P79 | L77-T82 HydrophobicContact CB-CG2 4.11Å; S78-T82 PolarHBondContact O-N 2.98Å; P79-T82 WeakPolarHBondContact CA-OG1 3.5Å; P79-T82 PolarHBondContact O-OG1 2.86Å |
| 83 | H | 84 | Confident | 80.5 | Confident | 69 Ų | 69 | 79 Ų | 79 | 32% | 0.319 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 57.6 | 176.7 | -56 | 82.2 | 0 | 0 | 0 | 111.4 | P79 C80 Q85 R86 | P79-H83 WeakPolarHBondContact O-CB 3.03Å; P79-H83 PolarHBondContact O-N 3.07Å; P79-H83 PolarHBondContact O-ND1 2.8Å; C80-H83 CarbonylContact O-C 3.51Å; H83-Q85 PolarHBondContact O-N 2.99Å; H83-Q85 VanDerWaalsContact O-N 3.14Å; H83-R86 HydrophobicContact CB-CB 4.38Å; H83-R86 HydrophobicContact CB-CG 4.28Å; H83-R86 WeakPolarHBondContact O-CB 3.26Å; H83-R86 PolarHBondContact O-N 1.98Å |
| 84 | S | 87.8 | Confident | 82.9 | Confident | 81 Ų | 81 | 72.1 Ų | 72.1 | 57% | 0.566 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -56 | -31.6 | -175.8 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | C80 R86 H87 | C80-S84 WeakPolarHBondContact O-CA 3.28Å; C80-S84 PolarHBondContact O-N 3.44Å; S84-R86 PolarHBondContact O-N 3.32Å; S84-H87 VanDerWaalsContact O-CB 3.23Å; S84-H87 WeakPolarHBondContact O-CB 3.44Å; S84-H87 PolarHBondContact O-N 2.77Å; S84-H87 VanDerWaalsContact O-N 3.09Å |
| 85 | Q | 90.3 | Very high | 85.2 | Confident | 136 Ų | 136 | 70.2 Ų | 70.2 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -61.9 | -23.1 | 174.5 | 71.1 | -76.7 | 7.3 | 0 | 0 | 113.7 | H83 | H83-Q85 PolarHBondContact O-N 2.99Å; H83-Q85 VanDerWaalsContact O-N 3.14Å |
| 86 | R | 90.4 | Very high | 87.5 | Confident | 77 Ų | 77 | 67.8 Ų | 67.8 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -91.5 | -8.7 | 178.2 | -63.2 | -178.1 | 176 | -175 | -6.3 | 112.8 | H83 S84 A88 F89 A90 C123 C125 | H83-R86 HydrophobicContact CB-CB 4.38Å; H83-R86 HydrophobicContact CB-CG 4.28Å; H83-R86 WeakPolarHBondContact O-CB 3.26Å; H83-R86 PolarHBondContact O-N 1.98Å; S84-R86 PolarHBondContact O-N 3.32Å; R86-A88 PolarHBondContact O-N 3.26Å; R86-F89 PolarHBondContact O-N 3.18Å; R86-A90 PolarHBondContact O-N 2.96Å; R86-C123 VanDerWaalsContact CD-O 3.25Å; R86-C123 WeakPolarHBondContact CD-O 3.48Å; R86-C123 PolarHBondContact NH1-O 3.28Å; R86-C123 VanDerWaalsContact NH1-O 3.09Å; R86-C125 PolarHBondContact NH1-O 3.26Å |
| 87 | H | 92.1 | Very high | 89.5 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 31% | 0.31 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.1 | -49.3 | -171.8 | -170.3 | -169.3 | 0 | 0 | 0 | 112.3 | S84 F89 A90 E91 | S84-H87 VanDerWaalsContact O-CB 3.23Å; S84-H87 WeakPolarHBondContact O-CB 3.44Å; S84-H87 PolarHBondContact O-N 2.77Å; S84-H87 VanDerWaalsContact O-N 3.09Å; H87-F89 VanDerWaalsContact C-N 3.27Å; H87-F89 PolarHBondContact O-N 3.1Å; H87-A90 WeakPolarHBondContact O-CA 3.06Å; H87-A90 WeakPolarHBondContact O-CB 3.47Å; H87-A90 PolarHBondContact O-N 3.19Å; H87-E91 IonicContact CE1-OE1 3.96Å; H87-E91 IonicContact NE2-OE1 3.65Å; H87-E91 PolarHBondContact O-N 3.42Å |
| 88 | A | 94.1 | Very high | 91.1 | Very high | 70 Ų | 70 | 59 Ų | 59 | 58% | 0.579 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.6 | -36.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | R86 A92 | R86-A88 PolarHBondContact O-N 3.26Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 3.45Å; A88-A92 VanDerWaalsContact O-N 3.12Å |
| 89 | F | 93.8 | Very high | 92.2 | Very high | 140 Ų | 140 | 58.2 Ų | 58.2 | 61% | 0.614 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.2 | -42.9 | 173.7 | 173.5 | -96.7 | 0 | 0 | 0 | 111.5 | R86 H87 A92 A93 V122 | R86-F89 PolarHBondContact O-N 3.18Å; H87-F89 VanDerWaalsContact C-N 3.27Å; H87-F89 PolarHBondContact O-N 3.1Å; F89-A92 PolarHBondContact O-N 3.09Å; F89-A93 WeakPolarHBondContact O-CB 3.44Å; F89-A93 PolarHBondContact O-N 2.92Å; F89-V122 HydrophobicContact CD1-CG1 3.77Å; F89-V122 HydrophobicContact CE1-CG1 3.7Å |
| 90 | A | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R86 H87 A92 A93 C94 L119 V122 C123 | R86-A90 PolarHBondContact O-N 2.96Å; H87-A90 WeakPolarHBondContact O-CA 3.06Å; H87-A90 WeakPolarHBondContact O-CB 3.47Å; H87-A90 PolarHBondContact O-N 3.19Å; A90-A92 PolarHBondContact O-N 2.86Å; A90-A93 PolarHBondContact O-N 2Å; A90-C94 WeakPolarHBondContact O-CB 3.12Å; A90-C94 PolarHBondContact O-N 3.08Å; A90-C94 PolarHBondContact O-SG 3.38Å; A90-L119 HydrophobicContact CB-CD2 3.85Å; A90-V122 HydrophobicContact CB-CB 3.89Å; A90-V122 HydrophobicContact CB-CG1 3.77Å; A90-C123 WeakPolarHBondContact CB-SG 3.22Å |
| 91 | E | 95.8 | Very high | 93.4 | Very high | 88 Ų | 88 | 63.1 Ų | 63.1 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58 | -48.1 | 174.8 | -71.1 | -178.4 | 137.4 | 0 | 0 | 111.2 | H87 A93 C94 A95 L119 | H87-E91 IonicContact CE1-OE1 3.96Å; H87-E91 IonicContact NE2-OE1 3.65Å; H87-E91 PolarHBondContact O-N 3.42Å; E91-A93 PolarHBondContact O-N 2.68Å; E91-C94 PolarHBondContact O-N 3.04Å; E91-A95 WeakPolarHBondContact O-CB 2.79Å; E91-A95 PolarHBondContact O-N 3.42Å; E91-L119 HydrophobicContact CG-CD2 4.01Å |
| 92 | A | 96.3 | Very high | 93.9 | Very high | 74 Ų | 74 | 59.2 Ų | 59.2 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.3 | -42.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A88 F89 A90 | A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 3.45Å; A88-A92 VanDerWaalsContact O-N 3.12Å; F89-A92 PolarHBondContact O-N 3.09Å; A90-A92 PolarHBondContact O-N 2.86Å |
| 93 | A | 95.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 60 Ų | 60 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F89 A90 E91 L132 | F89-A93 WeakPolarHBondContact O-CB 3.44Å; F89-A93 PolarHBondContact O-N 2.92Å; A90-A93 PolarHBondContact O-N 2Å; E91-A93 PolarHBondContact O-N 2.68Å; A93-L132 HydrophobicContact CB-CD1 4.34Å; A93-L132 HydrophobicContact CB-CD2 4.23Å |
| 94 | C | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -82.6 | -15.1 | -177.4 | -63.2 | 0 | 0 | 0 | 0 | 113.5 | A90 E91 I96 L97 Y115 C118 L119 | A90-C94 WeakPolarHBondContact O-CB 3.12Å; A90-C94 PolarHBondContact O-N 3.08Å; A90-C94 PolarHBondContact O-SG 3.38Å; E91-C94 PolarHBondContact O-N 3.04Å; C94-I96 PolarHBondContact O-N 3.32Å; C94-L97 WeakPolarHBondContact O-CB 3.43Å; C94-L97 PolarHBondContact O-N 2.89Å; C94-Y115 HydrophobicContact CB-CD2 3.82Å; C94-Y115 HydrophobicContact CB-CE2 3.63Å; C94-C118 WeakPolarHBondContact CA-SG 3.15Å; C94-C118 HydrophobicContact CB-CB 3.75Å; C94-C118 WeakPolarHBondContact CB-SG 3.34Å; C94-C118 WeakPolarHBondContact SG-CB 2.86Å; C94-C118 CovalentContact SG-SG 2.03Å; C94-C118 PolarHBondContact SG-SG 2.89Å; C94-L119 HydrophobicContact CB-CD2 4.36Å |
| 95 | A | 97.4 | Very high | 95.3 | Very high | 47 Ų | 47 | 57.9 Ų | 57.9 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -56.1 | -22.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | E91 L97 H98 S99 | E91-A95 WeakPolarHBondContact O-CB 2.79Å; E91-A95 PolarHBondContact O-N 3.42Å; A95-L97 PolarHBondContact O-N 2.91Å; A95-H98 PolarHBondContact O-N 3.04Å; A95-S99 PolarHBondContact O-N 3.34Å |
| 96 | I | 97.5 | Very high | 95.6 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 16% | 0.159 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -57.7 | -32.5 | 174.2 | -171 | 174.2 | 0 | 0 | 0 | 112.5 | C94 H98 S99 F102 L136 L157 | C94-I96 PolarHBondContact O-N 3.32Å; I96-H98 PolarHBondContact O-N 3.46Å; I96-S99 VanDerWaalsContact O-CB 3.3Å; I96-S99 WeakPolarHBondContact O-CB 2.94Å; I96-S99 PolarHBondContact O-N 3.06Å; I96-S99 PolarHBondContact O-OG 2.04Å; I96-F102 HydrophobicContact CD1-CE2 4.48Å; I96-F102 HydrophobicContact CG1-CD2 4.49Å; I96-F102 HydrophobicContact CG1-CE2 4.18Å; I96-F102 WeakPolarHBondContact O-CD2 3.3Å; I96-L136 HydrophobicContact CG2-CD1 3.82Å; I96-L136 HydrophobicContact CG2-CD2 3.49Å; I96-L136 VanDerWaalsContact CG2-CD2 3.49Å; I96-L136 HydrophobicContact CG2-CG 4.32Å; I96-L157 HydrophobicContact CD1-CD2 3.25Å |
| 97 | L | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -61.6 | -27.1 | 177.3 | -69.6 | 170.7 | 0 | 0 | 0 | 112.2 | C94 A95 H106 F114 Y115 C118 L136 Y139 | C94-L97 WeakPolarHBondContact O-CB 3.43Å; C94-L97 PolarHBondContact O-N 2.89Å; A95-L97 PolarHBondContact O-N 2.91Å; L97-H106 PolarHBondContact O-NE2 3.21Å; L97-F114 HydrophobicContact CD1-CB 4.3Å; L97-Y115 HydrophobicContact CD1-CD2 4.47Å; L97-C118 HydrophobicContact CD1-CB 3.84Å; L97-L136 HydrophobicContact CD1-CD2 4.28Å; L97-L136 HydrophobicContact CD2-CD2 3.65Å; L97-L136 HydrophobicContact CG-CD2 3.71Å; L97-Y139 HydrophobicContact CD2-CD1 3.41Å; L97-Y139 VanDerWaalsContact CD2-CD1 3.41Å; L97-Y139 HydrophobicContact CD2-CE1 4.19Å; L97-Y139 HydrophobicContact CD2-CG 3.76Å |
| 98 | H | 97.2 | Very high | 96.1 | Very high | 72 Ų | 72 | 58.8 Ų | 58.8 | 33% | 0.333 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -95.1 | -5.6 | 174.4 | -67.5 | 99.4 | 0 | 0 | 0 | 113.8 | A95 I96 K111 E112 Y115 | A95-H98 PolarHBondContact O-N 3.04Å; I96-H98 PolarHBondContact O-N 3.46Å; H98-K111 WeakPolarHBondContact CD2-CE 3.24Å; H98-E112 IonicContact CD2-OE1 3.92Å; H98-E112 IonicContact CE1-OE1 3.59Å; H98-E112 IonicContact CE1-OE2 3.46Å; H98-E112 IonicContact NE2-OE1 3.66Å; H98-E112 PolarHBondContact NE2-OE1 3.04Å; H98-E112 IonicContact NE2-OE2 3.12Å; H98-Y115 AromaticContact CE1-CD1 3.81Å; H98-Y115 AromaticContact CE1-CD2 3.37Å; H98-Y115 WeakPolarHBondContact CE1-CD2 3.42Å; H98-Y115 AromaticContact CE1-CE2 3.8Å; H98-Y115 AromaticContact CE1-CG 3.38Å; H98-Y115 AromaticContact ND1-CD2 3.47Å; H98-Y115 WeakPolarHBondContact ND1-CD2 3.14Å; H98-Y115 AromaticContact ND1-CE2 3.71Å; H98-Y115 AromaticContact ND1-CG 3.98Å |
| 99 | S | 96.6 | Very high | 96.2 | Very high | 35 Ų | 35 | 56.2 Ų | 56.2 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -72.8 | 163.3 | -177.9 | 77 | 0 | 0 | 0 | 0 | 112.6 | A95 I96 V101 F102 H106 | A95-S99 PolarHBondContact O-N 3.34Å; I96-S99 VanDerWaalsContact O-CB 3.3Å; I96-S99 WeakPolarHBondContact O-CB 2.94Å; I96-S99 PolarHBondContact O-N 3.06Å; I96-S99 PolarHBondContact O-OG 2.04Å; S99-V101 PolarHBondContact O-N 2.95Å; S99-V101 VanDerWaalsContact O-N 3.1Å; S99-V101 PolarHBondContact OG-N 3.46Å; S99-F102 PolarHBondContact O-N 3.46Å; S99-H106 PolarHBondContact O-CE1 2.76Å; S99-H106 VanDerWaalsContact O-CE1 3.26Å |
| 100 | S | 96.1 | Very high | 96.2 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -63.1 | -14.6 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | F102 Q103 | S100-F102 PolarHBondContact O-N 3.49Å; S100-Q103 WeakPolarHBondContact O-CB 3.35Å; S100-Q103 PolarHBondContact O-N 2.95Å; S100-Q103 VanDerWaalsContact O-N 3.12Å |
| 101 | V | 96.3 | Very high | 96.3 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 35% | 0.352 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -57.6 | -38.4 | 174.2 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | S99 P150 W152 | S99-V101 PolarHBondContact O-N 2.95Å; S99-V101 VanDerWaalsContact O-N 3.1Å; S99-V101 PolarHBondContact OG-N 3.46Å; V101-P150 HydrophobicContact CG1-CB 4.38Å; V101-P150 WeakPolarHBondContact O-CB 3.37Å; V101-W152 HydrophobicContact CG1-CB 3.61Å |
| 102 | F | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -97 | 13.7 | 179.4 | -73 | -78.6 | 0 | 0 | 0 | 113.5 | I96 S99 S100 E104 C105 H106 Y139 A140 P150 W152 | I96-F102 HydrophobicContact CD1-CE2 4.48Å; I96-F102 HydrophobicContact CG1-CD2 4.49Å; I96-F102 HydrophobicContact CG1-CE2 4.18Å; I96-F102 WeakPolarHBondContact O-CD2 3.3Å; S99-F102 PolarHBondContact O-N 3.46Å; S100-F102 PolarHBondContact O-N 3.49Å; F102-E104 VanDerWaalsContact C-N 3.27Å; F102-E104 PolarHBondContact O-N 3.23Å; F102-E104 VanDerWaalsContact O-N 3.13Å; F102-C105 HydrophobicContact CB-CB 4.47Å; F102-C105 HydrophobicContact CD1-CB 4.33Å; F102-C105 CarbonylContact O-C 3.56Å; F102-C105 WeakPolarHBondContact O-CA 3.47Å; F102-C105 WeakPolarHBondContact O-CB 3.41Å; F102-C105 PolarHBondContact O-N 3.03Å; F102-H106 WeakPolarHBondContact CB-NE2 3.39Å; F102-H106 PolarHBondContact O-CD2 3.04Å; F102-H106 PolarHBondContact O-N 2.72Å; F102-Y139 HydrophobicContact CB-CE1 3.92Å; F102-Y139 AromaticContact CD1-CD1 3.67Å; F102-Y139 HydrophobicContact CD1-CD1 3.67Å; F102-Y139 AromaticContact CD1-CE1 3.6Å; F102-Y139 HydrophobicContact CD1-CE1 3.6Å; F102-Y139 HydrophobicContact CD2-CD1 4.45Å; F102-Y139 HydrophobicContact CD2-CE1 4.43Å; F102-Y139 AromaticContact CE1-CD1 3.78Å; F102-Y139 HydrophobicContact CE1-CD1 3.78Å; F102-Y139 HydrophobicContact CE1-CE1 4.2Å; F102-Y139 HydrophobicContact CG-CD1 4.03Å; F102-Y139 AromaticContact CG-CE1 3.73Å; F102-Y139 HydrophobicContact CG-CE1 3.73Å; F102-Y139 HydrophobicContact CZ-CD1 4.21Å; F102-A140 HydrophobicContact CE1-CB 3.88Å; F102-A140 HydrophobicContact CZ-CB 4.21Å; F102-P150 HydrophobicContact CD1-CG 3.52Å; F102-P150 HydrophobicContact CE1-CG 3.66Å; F102-P150 HydrophobicContact CG-CG 4.38Å; F102-W152 HydrophobicContact CE1-CB 4.29Å; F102-W152 HydrophobicContact CE1-CG 4.25Å; F102-W152 HydrophobicContact CE2-CB 3.84Å; F102-W152 HydrophobicContact CE2-CG 4.27Å; F102-W152 HydrophobicContact CZ-CB 3.54Å; F102-W152 AromaticContact CZ-CD1 3.92Å; F102-W152 HydrophobicContact CZ-CD2 4.09Å; F102-W152 AromaticContact CZ-CG 3.55Å; F102-W152 HydrophobicContact CZ-CG 3.55Å |
| 103 | Q | 95.4 | Very high | 96.2 | Very high | 97 Ų | 97 | 55.6 Ų | 55.6 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -41.9 | -173 | -174.4 | 65.8 | 42.6 | 0 | 0 | 113.6 | S100 H106 | S100-Q103 WeakPolarHBondContact O-CB 3.35Å; S100-Q103 PolarHBondContact O-N 2.95Å; S100-Q103 VanDerWaalsContact O-N 3.12Å; Q103-H106 PolarHBondContact O-N 3.48Å |
| 104 | E | 94.3 | Very high | 96.3 | Very high | 105 Ų | 105 | 56.4 Ų | 56.4 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -37.8 | 178.9 | -166.5 | 55.8 | -148 | 0 | 0 | 111.4 | F102 H106 R107 A148 | F102-E104 VanDerWaalsContact C-N 3.27Å; F102-E104 PolarHBondContact O-N 3.23Å; F102-E104 VanDerWaalsContact O-N 3.13Å; E104-H106 VanDerWaalsContact C-N 3.35Å; E104-H106 PolarHBondContact O-N 2.67Å; E104-R107 PolarHBondContact O-N 3.03Å; E104-R107 IonicContact OE1-NH1 3.88Å; E104-R107 IonicContact OE2-NH1 3.09Å; E104-R107 PolarHBondContact OE2-NH1 2.99Å; E104-R107 VanDerWaalsContact OE2-NH1 3.09Å; E104-A148 HydrophobicContact CB-CB 4.41Å; E104-A148 HydrophobicContact CG-CB 4.17Å |
| 105 | C | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -68.7 | -31.5 | 176.1 | -177.3 | 0 | 0 | 0 | 0 | 113.1 | F102 R107 L108 V109 Y139 C143 A148 | F102-C105 HydrophobicContact CB-CB 4.47Å; F102-C105 HydrophobicContact CD1-CB 4.33Å; F102-C105 CarbonylContact O-C 3.56Å; F102-C105 WeakPolarHBondContact O-CA 3.47Å; F102-C105 WeakPolarHBondContact O-CB 3.41Å; F102-C105 PolarHBondContact O-N 3.03Å; C105-R107 PolarHBondContact O-N 3.24Å; C105-L108 PolarHBondContact O-N 3.31Å; C105-V109 PolarHBondContact O-N 3.09Å; C105-Y139 VanDerWaalsContact SG-CZ 3.56Å; C105-Y139 PolarHBondContact SG-OH 2.02Å; C105-C143 HydrophobicContact CB-CB 3.55Å; C105-C143 WeakPolarHBondContact CB-SG 3.03Å; C105-C143 VanDerWaalsContact SG-CA 3.52Å; C105-C143 WeakPolarHBondContact SG-CB 3.04Å; C105-C143 CovalentContact SG-SG 2Å; C105-C143 PolarHBondContact SG-SG 2.91Å; C105-A148 HydrophobicContact CB-CB 4.4Å |
| 106 | H | 96.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 18% | 0.181 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -57.5 | -22.6 | 178.7 | -64.6 | 171.4 | 0 | 0 | 0 | 113.3 | L97 S99 F102 Q103 E104 Y139 | L97-H106 PolarHBondContact O-NE2 3.21Å; S99-H106 PolarHBondContact O-CE1 2.76Å; S99-H106 VanDerWaalsContact O-CE1 3.26Å; F102-H106 WeakPolarHBondContact CB-NE2 3.39Å; F102-H106 PolarHBondContact O-CD2 3.04Å; F102-H106 PolarHBondContact O-N 2.72Å; Q103-H106 PolarHBondContact O-N 3.48Å; E104-H106 VanDerWaalsContact C-N 3.35Å; E104-H106 PolarHBondContact O-N 2.67Å; H106-Y139 PolarHBondContact CD2-OH 3.36Å |
| 107 | R | 95.4 | Very high | 96 | Very high | 179 Ų | 179 | 68.3 Ų | 68.3 | 68% | 0.675 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -81.5 | -20.8 | 175.3 | -64.5 | 179.6 | 175.1 | 146.2 | -3.2 | 113.6 | E104 C105 | E104-R107 PolarHBondContact O-N 3.03Å; E104-R107 IonicContact OE1-NH1 3.88Å; E104-R107 IonicContact OE2-NH1 3.09Å; E104-R107 PolarHBondContact OE2-NH1 2.99Å; E104-R107 VanDerWaalsContact OE2-NH1 3.09Å; C105-R107 PolarHBondContact O-N 3.24Å |
| 108 | L | 96.2 | Very high | 95.9 | Very high | 81 Ų | 81 | 68.3 Ų | 68.3 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -35.8 | -171.5 | -57 | 174.9 | 0 | 0 | 0 | 112 | C105 E146 A148 | C105-L108 PolarHBondContact O-N 3.31Å; L108-E146 HydrophobicContact CB-CB 3.94Å; L108-E146 HydrophobicContact CB-CG 4.36Å; L108-E146 HydrophobicContact CD1-CB 3.9Å; L108-E146 HydrophobicContact CG-CB 4.43Å; L108-A148 HydrophobicContact CD1-CB 3.63Å |
| 109 | V | 96.1 | Very high | 95.8 | Very high | 15 Ų | 15 | 65.7 Ų | 65.7 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -134.2 | 125 | -172.1 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | C105 K111 F114 Y139 R142 E146 | C105-V109 PolarHBondContact O-N 3.09Å; V109-K111 PolarHBondContact O-N 3.02Å; V109-F114 HydrophobicContact CG1-CE2 3.93Å; V109-Y139 HydrophobicContact CB-CE2 3.97Å; V109-Y139 HydrophobicContact CG1-CD2 4.24Å; V109-Y139 HydrophobicContact CG1-CE2 3.72Å; V109-Y139 PolarHBondContact O-OH 3.34Å; V109-Y139 VanDerWaalsContact O-OH 3.09Å; V109-R142 HydrophobicContact CB-CG 4.39Å; V109-R142 HydrophobicContact CG1-CB 4.39Å; V109-R142 HydrophobicContact CG1-CG 3.59Å; V109-R142 HydrophobicContact CG2-CG 3.82Å; V109-E146 HydrophobicContact CG2-CG 3.83Å |
| 110 | D | 94.9 | Very high | 95.6 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 53% | 0.529 | 32% | 0.324 | S | S | . | . | trans | -62.7 | 125.4 | 173.2 | -175.4 | 14.5 | 0 | 0 | 0 | 110.8 | E112 P113 F114 | D110-E112 PolarHBondContact OD1-N 2.81Å; D110-E112 VanDerWaalsContact OD1-N 3.16Å; D110-P113 WeakPolarHBondContact OD2-CD 3.3Å; D110-F114 WeakPolarHBondContact O-CD2 3.35Å | ||
| 111 | K | 96.1 | Very high | 95.5 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 21% | 0.213 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -88 | -23.9 | -175.2 | 64.1 | -169 | 173.5 | -68.2 | 0 | 113 | H98 V109 F114 Y115 Y139 | H98-K111 WeakPolarHBondContact CD2-CE 3.24Å; V109-K111 PolarHBondContact O-N 3.02Å; K111-F114 WeakPolarHBondContact O-CB 3.35Å; K111-F114 PolarHBondContact O-N 2.83Å; K111-Y115 PolarHBondContact O-N 3.26Å; K111-Y139 HydrophobicContact CB-CE1 4.48Å; K111-Y139 HydrophobicContact CB-CE2 4.16Å |
| 112 | E | 96.1 | Very high | 95.4 | Very high | 78 Ų | 78 | 60.1 Ų | 60.1 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | -173.3 | -62.3 | -51.7 | 142.7 | 0 | 0 | 113.3 | H98 D110 F114 Y115 L116 | H98-E112 IonicContact CD2-OE1 3.92Å; H98-E112 IonicContact CE1-OE1 3.59Å; H98-E112 IonicContact CE1-OE2 3.46Å; H98-E112 IonicContact NE2-OE1 3.66Å; H98-E112 PolarHBondContact NE2-OE1 3.04Å; H98-E112 IonicContact NE2-OE2 3.12Å; D110-E112 PolarHBondContact OD1-N 2.81Å; D110-E112 VanDerWaalsContact OD1-N 3.16Å; E112-F114 VanDerWaalsContact C-N 3.26Å; E112-F114 PolarHBondContact O-N 3.14Å; E112-Y115 PolarHBondContact O-N 3.16Å; E112-L116 WeakPolarHBondContact O-CG 3.37Å; E112-L116 PolarHBondContact O-N 3.32Å |
| 113 | P | 94.5 | Very high | 95.3 | Very high | 63 Ų | 63 | 60.1 Ų | 60.1 | 41% | 0.409 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.2 | -34.4 | 174.4 | -24.6 | 35.2 | 0 | 0 | 0 | 113.3 | D110 R117 | D110-P113 WeakPolarHBondContact OD2-CD 3.3Å; P113-R117 WeakPolarHBondContact O-CG 3.38Å; P113-R117 PolarHBondContact O-N 3.08Å |
| 114 | F | 96.6 | Very high | 95.1 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 17% | 0.171 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75.7 | -37 | 177.5 | -67.2 | -94.1 | 0 | 0 | 0 | 111.5 | L97 V109 D110 K111 E112 R117 C118 A138 Y139 R142 | L97-F114 HydrophobicContact CD1-CB 4.3Å; V109-F114 HydrophobicContact CG1-CE2 3.93Å; D110-F114 WeakPolarHBondContact O-CD2 3.35Å; K111-F114 WeakPolarHBondContact O-CB 3.35Å; K111-F114 PolarHBondContact O-N 2.83Å; E112-F114 VanDerWaalsContact C-N 3.26Å; E112-F114 PolarHBondContact O-N 3.14Å; F114-R117 PolarHBondContact O-N 3.09Å; F114-C118 WeakPolarHBondContact O-CB 3.36Å; F114-C118 PolarHBondContact O-N 3.2Å; F114-A138 HydrophobicContact CE1-CB 4.25Å; F114-Y139 HydrophobicContact CB-CD2 4.05Å; F114-Y139 HydrophobicContact CB-CG 4.32Å; F114-Y139 AromaticContact CD1-CD2 3.92Å; F114-Y139 HydrophobicContact CD1-CD2 3.92Å; F114-Y139 HydrophobicContact CD1-CG 4.24Å; F114-Y139 AromaticContact CD2-CD2 3.42Å; F114-Y139 HydrophobicContact CD2-CD2 3.42Å; F114-Y139 VanDerWaalsContact CD2-CD2 3.42Å; F114-Y139 AromaticContact CD2-CE2 3.93Å; F114-Y139 HydrophobicContact CD2-CE2 3.93Å; F114-Y139 HydrophobicContact CD2-CG 4.4Å; F114-Y139 HydrophobicContact CE1-CD2 4.18Å; F114-Y139 AromaticContact CE2-CD2 3.73Å; F114-Y139 HydrophobicContact CE2-CD2 3.73Å; F114-Y139 HydrophobicContact CE2-CE2 4.24Å; F114-Y139 AromaticContact CG-CD2 3.52Å; F114-Y139 HydrophobicContact CG-CD2 3.52Å; F114-Y139 HydrophobicContact CG-CE2 4.38Å; F114-Y139 HydrophobicContact CG-CG 4.07Å; F114-Y139 HydrophobicContact CZ-CD2 4.09Å; F114-R142 HydrophobicContact CZ-CB 4.19Å; F114-R142 HydrophobicContact CZ-CG 4.37Å |
| 115 | Y | 96.9 | Very high | 95 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 175.6 | -178.2 | -106 | 0 | 0 | 0 | 111.8 | C94 L97 H98 K111 E112 R117 C118 L119 | C94-Y115 HydrophobicContact CB-CD2 3.82Å; C94-Y115 HydrophobicContact CB-CE2 3.63Å; L97-Y115 HydrophobicContact CD1-CD2 4.47Å; H98-Y115 AromaticContact CE1-CD1 3.81Å; H98-Y115 AromaticContact CE1-CD2 3.37Å; H98-Y115 WeakPolarHBondContact CE1-CD2 3.42Å; H98-Y115 AromaticContact CE1-CE2 3.8Å; H98-Y115 AromaticContact CE1-CG 3.38Å; H98-Y115 AromaticContact ND1-CD2 3.47Å; H98-Y115 WeakPolarHBondContact ND1-CD2 3.14Å; H98-Y115 AromaticContact ND1-CE2 3.71Å; H98-Y115 AromaticContact ND1-CG 3.98Å; K111-Y115 PolarHBondContact O-N 3.26Å; E112-Y115 PolarHBondContact O-N 3.16Å; Y115-R117 VanDerWaalsContact C-N 3.33Å; Y115-R117 PolarHBondContact O-N 3.46Å; Y115-C118 WeakPolarHBondContact O-CA 3.46Å; Y115-C118 VanDerWaalsContact O-CB 3.31Å; Y115-C118 WeakPolarHBondContact O-CB 3.49Å; Y115-C118 PolarHBondContact O-N 3.02Å; Y115-L119 HydrophobicContact CD1-CD1 4.09Å; Y115-L119 HydrophobicContact CD1-CG 4.44Å; Y115-L119 HydrophobicContact CE1-CD1 3.56Å; Y115-L119 HydrophobicContact CE1-CG 4.08Å; Y115-L119 PolarHBondContact O-N 2.88Å |
| 116 | L | 94.4 | Very high | 94.6 | Very high | 112 Ų | 112 | 58.6 Ų | 58.6 | 59% | 0.586 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.1 | -39.8 | 175.9 | -67.1 | 176 | 0 | 0 | 0 | 112.2 | E112 C118 L119 A120 | E112-L116 WeakPolarHBondContact O-CG 3.37Å; E112-L116 PolarHBondContact O-N 3.32Å; L116-C118 VanDerWaalsContact C-N 3.32Å; L116-L119 PolarHBondContact O-N 2.91Å; L116-A120 PolarHBondContact O-N 3.32Å |
| 117 | R | 94.6 | Very high | 94 | Very high | 179 Ų | 179 | 62.2 Ų | 62.2 | 68% | 0.675 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 172.3 | -77 | 178.2 | -171.6 | -119.8 | 3.1 | 112 | P113 F114 Y115 A120 A121 V135 | P113-R117 WeakPolarHBondContact O-CG 3.38Å; P113-R117 PolarHBondContact O-N 3.08Å; F114-R117 PolarHBondContact O-N 3.09Å; Y115-R117 VanDerWaalsContact C-N 3.33Å; Y115-R117 PolarHBondContact O-N 3.46Å; R117-A120 PolarHBondContact O-N 2.72Å; R117-A121 VanDerWaalsContact O-CB 3.25Å; R117-A121 WeakPolarHBondContact O-CB 3.47Å; R117-A121 PolarHBondContact O-N 2.59Å; R117-V135 HydrophobicContact CB-CG1 4.35Å |
| 118 | C | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63 | -48.5 | 177.4 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | C94 L97 F114 Y115 L116 A120 A121 V122 L132 V135 | C94-C118 WeakPolarHBondContact CA-SG 3.15Å; C94-C118 HydrophobicContact CB-CB 3.75Å; C94-C118 WeakPolarHBondContact CB-SG 3.34Å; C94-C118 WeakPolarHBondContact SG-CB 2.86Å; C94-C118 CovalentContact SG-SG 2.03Å; C94-C118 PolarHBondContact SG-SG 2.89Å; L97-C118 HydrophobicContact CD1-CB 3.84Å; F114-C118 WeakPolarHBondContact O-CB 3.36Å; F114-C118 PolarHBondContact O-N 3.2Å; Y115-C118 WeakPolarHBondContact O-CA 3.46Å; Y115-C118 VanDerWaalsContact O-CB 3.31Å; Y115-C118 WeakPolarHBondContact O-CB 3.49Å; Y115-C118 PolarHBondContact O-N 3.02Å; L116-C118 VanDerWaalsContact C-N 3.32Å; C118-A120 PolarHBondContact O-N 3.25Å; C118-A121 PolarHBondContact O-N 3.23Å; C118-V122 WeakPolarHBondContact O-CB 3.48Å; C118-V122 WeakPolarHBondContact O-CG2 2.97Å; C118-V122 PolarHBondContact O-N 3.43Å; C118-L132 WeakPolarHBondContact SG-CD1 2.99Å; C118-V135 HydrophobicContact CB-CB 4.44Å; C118-V135 HydrophobicContact CB-CG1 3.81Å |
| 119 | L | 94.9 | Very high | 93 | Very high | 17 Ų | 17 | 57.4 Ų | 57.4 | 9% | 0.089 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.6 | -50.9 | 176.3 | -70.1 | -179 | 0 | 0 | 0 | 111.3 | C80 A90 E91 C94 Y115 L116 A121 V122 C123 | C80-L119 VanDerWaalsContact SG-C 3.54Å; C80-L119 PolarHBondContact SG-O 3.19Å; A90-L119 HydrophobicContact CB-CD2 3.85Å; E91-L119 HydrophobicContact CG-CD2 4.01Å; C94-L119 HydrophobicContact CB-CD2 4.36Å; Y115-L119 HydrophobicContact CD1-CD1 4.09Å; Y115-L119 HydrophobicContact CD1-CG 4.44Å; Y115-L119 HydrophobicContact CE1-CD1 3.56Å; Y115-L119 HydrophobicContact CE1-CG 4.08Å; Y115-L119 PolarHBondContact O-N 2.88Å; L116-L119 PolarHBondContact O-N 2.91Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 2.98Å; L119-V122 PolarHBondContact O-N 2.83Å; L119-C123 VanDerWaalsContact O-CB 3.29Å; L119-C123 WeakPolarHBondContact O-CB 3.39Å; L119-C123 PolarHBondContact O-N 3.11Å; L119-C123 PolarHBondContact O-SG 3.48Å |
| 120 | A | 92.6 | Very high | 92.8 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.2 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P79 L116 R117 C118 G124 | P79-A120 WeakPolarHBondContact CB-O 3.29Å; P79-A120 HydrophobicContact CG-CB 4.17Å; L116-A120 PolarHBondContact O-N 3.32Å; R117-A120 PolarHBondContact O-N 2.72Å; C118-A120 PolarHBondContact O-N 3.25Å; A120-G124 PolarHBondContact O-N 3.3Å; A120-G124 VanDerWaalsContact O-N 3.11Å |
| 121 | A | 93.1 | Very high | 92.7 | Very high | 29 Ų | 29 | 58 Ų | 58 | 24% | 0.24 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R117 C118 L119 C125 C131 V135 | R117-A121 VanDerWaalsContact O-CB 3.25Å; R117-A121 WeakPolarHBondContact O-CB 3.47Å; R117-A121 PolarHBondContact O-N 2.59Å; C118-A121 PolarHBondContact O-N 3.23Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 2.98Å; A121-C125 WeakPolarHBondContact O-CA 3.19Å; A121-C125 WeakPolarHBondContact O-CB 3.39Å; A121-C125 PolarHBondContact O-N 3.17Å; A121-C125 VanDerWaalsContact O-N 3.12Å; A121-C131 HydrophobicContact CB-CB 4.32Å; A121-C131 WeakPolarHBondContact O-CB 3.39Å; A121-V135 HydrophobicContact CB-CG2 3.94Å |
| 122 | V | 94.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73.7 | -41.9 | -177 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | F89 A90 C118 L119 C125 L132 | F89-V122 HydrophobicContact CD1-CG1 3.77Å; F89-V122 HydrophobicContact CE1-CG1 3.7Å; A90-V122 HydrophobicContact CB-CB 3.89Å; A90-V122 HydrophobicContact CB-CG1 3.77Å; C118-V122 WeakPolarHBondContact O-CB 3.48Å; C118-V122 WeakPolarHBondContact O-CG2 2.97Å; C118-V122 PolarHBondContact O-N 3.43Å; L119-V122 PolarHBondContact O-N 2.83Å; V122-C125 VanDerWaalsContact O-CB 3.26Å; V122-C125 WeakPolarHBondContact O-CB 3.45Å; V122-C125 PolarHBondContact O-N 3.03Å; V122-L132 HydrophobicContact CG2-CB 4.27Å; V122-L132 HydrophobicContact CG2-CD1 4.13Å |
| 123 | C | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177 | -69.7 | 0 | 0 | 0 | 0 | 112 | P79 C80 R86 A90 L119 C125 | P79-C123 HydrophobicContact CB-CB 4.1Å; C80-C123 WeakPolarHBondContact CA-SG 3.24Å; C80-C123 HydrophobicContact CB-CB 3.83Å; C80-C123 WeakPolarHBondContact CB-SG 3.45Å; C80-C123 WeakPolarHBondContact SG-CB 3.4Å; C80-C123 CovalentContact SG-SG 2.04Å; C80-C123 PolarHBondContact SG-SG 3.08Å; R86-C123 VanDerWaalsContact CD-O 3.25Å; R86-C123 WeakPolarHBondContact CD-O 3.48Å; R86-C123 PolarHBondContact NH1-O 3.28Å; R86-C123 VanDerWaalsContact NH1-O 3.09Å; A90-C123 WeakPolarHBondContact CB-SG 3.22Å; L119-C123 VanDerWaalsContact O-CB 3.29Å; L119-C123 WeakPolarHBondContact O-CB 3.39Å; L119-C123 PolarHBondContact O-N 3.11Å; L119-C123 PolarHBondContact O-SG 3.48Å; C123-C125 PolarHBondContact O-N 2.9Å |
| 124 | G | 91 | Very high | 92.8 | Very high | 37 Ų | 37 | 54.9 Ų | 54.9 | 38% | 0.381 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 5.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A120 | A120-G124 PolarHBondContact O-N 3.3Å; A120-G124 VanDerWaalsContact O-N 3.11Å |
| 125 | C | 92.7 | Very high | 92.8 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 14% | 0.142 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 133.5 | -172.2 | -162.6 | 0 | 0 | 0 | 0 | 112.4 | R86 A121 V122 C123 S129 C131 | R86-C125 PolarHBondContact NH1-O 3.26Å; A121-C125 WeakPolarHBondContact O-CA 3.19Å; A121-C125 WeakPolarHBondContact O-CB 3.39Å; A121-C125 PolarHBondContact O-N 3.17Å; A121-C125 VanDerWaalsContact O-N 3.12Å; V122-C125 VanDerWaalsContact O-CB 3.26Å; V122-C125 WeakPolarHBondContact O-CB 3.45Å; V122-C125 PolarHBondContact O-N 3.03Å; C123-C125 PolarHBondContact O-N 2.9Å; C125-S129 PolarHBondContact SG-O 2.92Å; C125-S129 VanDerWaalsContact SG-O 3.4Å; C125-C131 WeakPolarHBondContact CA-SG 3.28Å; C125-C131 HydrophobicContact CB-CB 3.62Å; C125-C131 WeakPolarHBondContact CB-SG 3.47Å; C125-C131 WeakPolarHBondContact SG-CB 3.48Å; C125-C131 CovalentContact SG-SG 2.04Å; C125-C131 PolarHBondContact SG-SG 3.38Å |
| 126 | D | 89.1 | Confident | 92.8 | Very high | 113 Ų | 113 | 52.1 Ų | 52.1 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 144.7 | 171.9 | -73.8 | -39.8 | 0 | 0 | 0 | 111.2 | G128 S129 | D126-G128 PolarHBondContact O-N 3.12Å; D126-S129 WeakPolarHBondContact O-CB 3.36Å; D126-S129 PolarHBondContact O-N 3.46Å; D126-S129 VanDerWaalsContact O-N 3.07Å |
| 127 | P | 84.5 | Confident | 92.9 | Very high | 115 Ų | 115 | 47.6 Ų | 47.6 | 75% | 0.747 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 130.8 | 176.2 | -23.4 | 33.4 | 0 | 0 | 0 | 112 | S129 | P127-S129 VanDerWaalsContact C-N 3.28Å; P127-S129 PolarHBondContact O-N 3.35Å |
| 128 | G | 81.9 | Confident | 92.9 | Very high | 91 Ų | 91 | 41 Ų | 41 | 94% | 0.938 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -2.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D126 | D126-G128 PolarHBondContact O-N 3.12Š|
| 129 | S | 88.8 | Confident | 92.9 | Very high | 67 Ų | 67 | 41 Ų | 41 | 47% | 0.469 | 29% | 0.286 | S | S | . | . | trans | -90.2 | 149.6 | 172.8 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | C125 D126 P127 | C125-S129 PolarHBondContact SG-O 2.92Å; C125-S129 VanDerWaalsContact SG-O 3.4Å; D126-S129 WeakPolarHBondContact O-CB 3.36Å; D126-S129 PolarHBondContact O-N 3.46Å; D126-S129 VanDerWaalsContact O-N 3.07Å; P127-S129 VanDerWaalsContact C-N 3.28Å; P127-S129 PolarHBondContact O-N 3.35Å | ||
| 130 | D | 90.3 | Very high | 93 | Very high | 98 Ų | 98 | 40.2 Ų | 40.2 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | trans | -96.5 | 96.6 | 172.3 | 178.9 | 13.2 | 0 | 0 | 0 | 110.6 | L132 C133 P134 | D130-L132 PolarHBondContact OD1-N 3.46Å; D130-C133 WeakPolarHBondContact OD1-CB 3.41Å; D130-C133 PolarHBondContact OD1-N 3.31Å; D130-C133 PolarHBondContact OD1-SG 3.14Å; D130-C133 VanDerWaalsContact OD1-SG 3.36Å; D130-C133 WeakPolarHBondContact OD2-CB 3.2Å; D130-C133 PolarHBondContact OD2-SG 2.03Å; D130-C133 VanDerWaalsContact OD2-SG 3.34Å; D130-P134 WeakPolarHBondContact O-CD 3.49Å; D130-P134 WeakPolarHBondContact O-CG 3.01Å | ||
| 131 | C | 94.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | trans | -100.6 | -13.3 | 178.8 | -49.6 | 0 | 0 | 0 | 0 | 113.2 | A121 C125 | A121-C131 HydrophobicContact CB-CB 4.32Å; A121-C131 WeakPolarHBondContact O-CB 3.39Å; C125-C131 WeakPolarHBondContact CA-SG 3.28Å; C125-C131 HydrophobicContact CB-CB 3.62Å; C125-C131 WeakPolarHBondContact CB-SG 3.47Å; C125-C131 WeakPolarHBondContact SG-CB 3.48Å; C125-C131 CovalentContact SG-SG 2.04Å; C125-C131 PolarHBondContact SG-SG 3.38Å | ||
| 132 | L | 95.4 | Very high | 93.2 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -83.4 | -53.2 | -177.7 | 177.1 | 64.3 | 0 | 0 | 0 | 110.9 | A93 C118 V122 D130 P134 V135 L136 L157 | A93-L132 HydrophobicContact CB-CD1 4.34Å; A93-L132 HydrophobicContact CB-CD2 4.23Å; C118-L132 WeakPolarHBondContact SG-CD1 2.99Å; V122-L132 HydrophobicContact CG2-CB 4.27Å; V122-L132 HydrophobicContact CG2-CD1 4.13Å; D130-L132 PolarHBondContact OD1-N 3.46Å; L132-P134 VanDerWaalsContact C-CD 3.5Å; L132-V135 PolarHBondContact O-N 2.89Å; L132-V135 VanDerWaalsContact O-N 3.09Å; L132-L136 HydrophobicContact CD1-CD1 4.04Å; L132-L136 HydrophobicContact CD1-CD2 4.3Å; L132-L136 HydrophobicContact CD1-CG 4.02Å; L132-L136 HydrophobicContact CD2-CD1 4.23Å; L132-L136 HydrophobicContact CG-CD1 3.82Å; L132-L136 HydrophobicContact CG-CG 4.15Å; L132-L136 PolarHBondContact O-N 2.98Å; L132-L136 VanDerWaalsContact O-N 3.15Å; L132-L157 HydrophobicContact CD2-CD1 4.2Å |
| 133 | C | 96.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 10% | 0.101 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -37.1 | -171.5 | -59.7 | 0 | 0 | 0 | 0 | 113.7 | D130 V135 L136 S137 C158 | D130-C133 WeakPolarHBondContact OD1-CB 3.41Å; D130-C133 PolarHBondContact OD1-N 3.31Å; D130-C133 PolarHBondContact OD1-SG 3.14Å; D130-C133 VanDerWaalsContact OD1-SG 3.36Å; D130-C133 WeakPolarHBondContact OD2-CB 3.2Å; D130-C133 PolarHBondContact OD2-SG 2.03Å; D130-C133 VanDerWaalsContact OD2-SG 3.34Å; C133-V135 VanDerWaalsContact C-N 3.27Å; C133-V135 PolarHBondContact O-N 2.85Å; C133-L136 PolarHBondContact O-N 3.29Å; C133-S137 VanDerWaalsContact O-CB 3.28Å; C133-S137 WeakPolarHBondContact O-CB 3.5Å; C133-S137 PolarHBondContact O-N 3.21Å; C133-S137 PolarHBondContact O-OG 2.84Å; C133-C158 WeakPolarHBondContact CA-SG 3.48Å; C133-C158 HydrophobicContact CB-CB 3.66Å; C133-C158 WeakPolarHBondContact CB-SG 3.23Å; C133-C158 WeakPolarHBondContact SG-CA 3.49Å; C133-C158 WeakPolarHBondContact SG-CB 3.16Å; C133-C158 CovalentContact SG-SG 2.02Å; C133-C158 PolarHBondContact SG-SG 3.03Å |
| 134 | P | 95.6 | Very high | 93.2 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -38.5 | 174.9 | -27.5 | 36.7 | 0 | 0 | 0 | 113.2 | D130 L132 A138 | D130-P134 WeakPolarHBondContact O-CD 3.49Å; D130-P134 WeakPolarHBondContact O-CG 3.01Å; L132-P134 VanDerWaalsContact C-CD 3.5Å; P134-A138 WeakPolarHBondContact O-CB 3.31Å; P134-A138 PolarHBondContact O-N 3.41Å |
| 135 | V | 96.6 | Very high | 93.3 | Very high | 19 Ų | 19 | 48 Ų | 48 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.9 | -44.9 | 179.3 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | R117 C118 A121 L132 C133 S137 A138 Y139 | R117-V135 HydrophobicContact CB-CG1 4.35Å; C118-V135 HydrophobicContact CB-CB 4.44Å; C118-V135 HydrophobicContact CB-CG1 3.81Å; A121-V135 HydrophobicContact CB-CG2 3.94Å; L132-V135 PolarHBondContact O-N 2.89Å; L132-V135 VanDerWaalsContact O-N 3.09Å; C133-V135 VanDerWaalsContact C-N 3.27Å; C133-V135 PolarHBondContact O-N 2.85Å; V135-S137 VanDerWaalsContact C-N 3.3Å; V135-S137 PolarHBondContact O-N 3.07Å; V135-A138 PolarHBondContact O-N 3.37Å; V135-Y139 PolarHBondContact O-N 3.15Å; V135-Y139 VanDerWaalsContact O-N 3.08Å |
| 136 | L | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 175.6 | -60.9 | -174.7 | 0 | 0 | 0 | 111.7 | I96 L97 L132 C133 A138 Y139 A140 W152 L157 | I96-L136 HydrophobicContact CG2-CD1 3.82Å; I96-L136 HydrophobicContact CG2-CD2 3.49Å; I96-L136 VanDerWaalsContact CG2-CD2 3.49Å; I96-L136 HydrophobicContact CG2-CG 4.32Å; L97-L136 HydrophobicContact CD1-CD2 4.28Å; L97-L136 HydrophobicContact CD2-CD2 3.65Å; L97-L136 HydrophobicContact CG-CD2 3.71Å; L132-L136 HydrophobicContact CD1-CD1 4.04Å; L132-L136 HydrophobicContact CD1-CD2 4.3Å; L132-L136 HydrophobicContact CD1-CG 4.02Å; L132-L136 HydrophobicContact CD2-CD1 4.23Å; L132-L136 HydrophobicContact CG-CD1 3.82Å; L132-L136 HydrophobicContact CG-CG 4.15Å; L132-L136 PolarHBondContact O-N 2.98Å; L132-L136 VanDerWaalsContact O-N 3.15Å; C133-L136 PolarHBondContact O-N 3.29Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 3.23Å; L136-Y139 PolarHBondContact O-N 3.35Å; L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 3.03Å; L136-W152 HydrophobicContact CB-CE3 4.02Å; L136-W152 HydrophobicContact CB-CH2 3.48Å; L136-W152 VanDerWaalsContact CB-CH2 3.48Å; L136-W152 HydrophobicContact CB-CZ2 4.18Å; L136-W152 HydrophobicContact CB-CZ3 3.4Å; L136-W152 VanDerWaalsContact CB-CZ3 3.4Å; L136-W152 HydrophobicContact CD1-CE3 4.11Å; L136-W152 HydrophobicContact CD1-CH2 4.49Å; L136-W152 HydrophobicContact CD1-CZ3 3.65Å; L136-W152 HydrophobicContact CG-CZ3 4.18Å; L136-L157 HydrophobicContact CD1-CD1 4.28Å; L136-L157 HydrophobicContact CD1-CD2 4.48Å |
| 137 | S | 96.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 49 Ų | 49 | 12% | 0.119 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -40.8 | 175.7 | -51.3 | 0 | 0 | 0 | 0 | 111.7 | C133 V135 R141 R153 | C133-S137 VanDerWaalsContact O-CB 3.28Å; C133-S137 WeakPolarHBondContact O-CB 3.5Å; C133-S137 PolarHBondContact O-N 3.21Å; C133-S137 PolarHBondContact O-OG 2.84Å; V135-S137 VanDerWaalsContact C-N 3.3Å; V135-S137 PolarHBondContact O-N 3.07Å; S137-R141 WeakPolarHBondContact O-CB 3.43Å; S137-R141 PolarHBondContact O-N 3.33Å; S137-R153 PolarHBondContact OG-NH2 3.49Å |
| 138 | A | 95.6 | Very high | 93.9 | Very high | 40 Ų | 40 | 44 Ų | 44 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | F114 P134 V135 L136 R142 | F114-A138 HydrophobicContact CE1-CB 4.25Å; P134-A138 WeakPolarHBondContact O-CB 3.31Å; P134-A138 PolarHBondContact O-N 3.41Å; V135-A138 PolarHBondContact O-N 3.37Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 3.23Å; A138-R142 PolarHBondContact O-N 2.92Å; A138-R142 VanDerWaalsContact O-N 3.09Å |
| 139 | Y | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -51 | 176.4 | -172.9 | -123.9 | 0 | 0 | 0 | 111.2 | L97 F102 C105 H106 V109 K111 F114 V135 L136 R141 R142 C143 | L97-Y139 HydrophobicContact CD2-CD1 3.41Å; L97-Y139 VanDerWaalsContact CD2-CD1 3.41Å; L97-Y139 HydrophobicContact CD2-CE1 4.19Å; L97-Y139 HydrophobicContact CD2-CG 3.76Å; F102-Y139 HydrophobicContact CB-CE1 3.92Å; F102-Y139 AromaticContact CD1-CD1 3.67Å; F102-Y139 HydrophobicContact CD1-CD1 3.67Å; F102-Y139 AromaticContact CD1-CE1 3.6Å; F102-Y139 HydrophobicContact CD1-CE1 3.6Å; F102-Y139 HydrophobicContact CD2-CD1 4.45Å; F102-Y139 HydrophobicContact CD2-CE1 4.43Å; F102-Y139 AromaticContact CE1-CD1 3.78Å; F102-Y139 HydrophobicContact CE1-CD1 3.78Å; F102-Y139 HydrophobicContact CE1-CE1 4.2Å; F102-Y139 HydrophobicContact CG-CD1 4.03Å; F102-Y139 AromaticContact CG-CE1 3.73Å; F102-Y139 HydrophobicContact CG-CE1 3.73Å; F102-Y139 HydrophobicContact CZ-CD1 4.21Å; C105-Y139 VanDerWaalsContact SG-CZ 3.56Å; C105-Y139 PolarHBondContact SG-OH 2.02Å; H106-Y139 PolarHBondContact CD2-OH 3.36Å; V109-Y139 HydrophobicContact CB-CE2 3.97Å; V109-Y139 HydrophobicContact CG1-CD2 4.24Å; V109-Y139 HydrophobicContact CG1-CE2 3.72Å; V109-Y139 PolarHBondContact O-OH 3.34Å; V109-Y139 VanDerWaalsContact O-OH 3.09Å; K111-Y139 HydrophobicContact CB-CE1 4.48Å; K111-Y139 HydrophobicContact CB-CE2 4.16Å; F114-Y139 HydrophobicContact CB-CD2 4.05Å; F114-Y139 HydrophobicContact CB-CG 4.32Å; F114-Y139 AromaticContact CD1-CD2 3.92Å; F114-Y139 HydrophobicContact CD1-CD2 3.92Å; F114-Y139 HydrophobicContact CD1-CG 4.24Å; F114-Y139 AromaticContact CD2-CD2 3.42Å; F114-Y139 HydrophobicContact CD2-CD2 3.42Å; F114-Y139 VanDerWaalsContact CD2-CD2 3.42Å; F114-Y139 AromaticContact CD2-CE2 3.93Å; F114-Y139 HydrophobicContact CD2-CE2 3.93Å; F114-Y139 HydrophobicContact CD2-CG 4.4Å; F114-Y139 HydrophobicContact CE1-CD2 4.18Å; F114-Y139 AromaticContact CE2-CD2 3.73Å; F114-Y139 HydrophobicContact CE2-CD2 3.73Å; F114-Y139 HydrophobicContact CE2-CE2 4.24Å; F114-Y139 AromaticContact CG-CD2 3.52Å; F114-Y139 HydrophobicContact CG-CD2 3.52Å; F114-Y139 HydrophobicContact CG-CE2 4.38Å; F114-Y139 HydrophobicContact CG-CG 4.07Å; F114-Y139 HydrophobicContact CZ-CD2 4.09Å; V135-Y139 PolarHBondContact O-N 3.15Å; V135-Y139 VanDerWaalsContact O-N 3.08Å; L136-Y139 PolarHBondContact O-N 3.35Å; Y139-R141 VanDerWaalsContact C-N 3.31Å; Y139-R141 PolarHBondContact O-N 2.98Å; Y139-R142 WeakPolarHBondContact O-CB 3.36Å; Y139-R142 PolarHBondContact O-N 3.09Å; Y139-C143 PolarHBondContact O-N 3.44Å; Y139-C143 PolarHBondContact O-SG 3.08Å |
| 140 | A | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -37.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F102 L136 C143 A144 W152 E170 | F102-A140 HydrophobicContact CE1-CB 3.88Å; F102-A140 HydrophobicContact CZ-CB 4.21Å; L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 3.03Å; A140-C143 WeakPolarHBondContact O-CB 2.97Å; A140-C143 PolarHBondContact O-N 3.43Å; A140-A144 WeakPolarHBondContact O-CB 3.41Å; A140-A144 PolarHBondContact O-N 3.4Å; A140-W152 VanDerWaalsContact CB-CD1 3.46Å; A140-W152 HydrophobicContact CB-CD2 4.49Å; A140-W152 HydrophobicContact CB-CG 4.35Å; A140-W152 HydrophobicContact CB-CZ2 4.24Å; A140-E170 HydrophobicContact CB-CG 3.93Å |
| 141 | R | 94.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 42.5 Ų | 42.5 | 28% | 0.275 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 172.2 | -177.8 | 179.7 | -56.2 | 170.8 | 5.3 | 111.8 | S137 Y139 C143 A144 Q145 A193 | S137-R141 WeakPolarHBondContact O-CB 3.43Å; S137-R141 PolarHBondContact O-N 3.33Å; Y139-R141 VanDerWaalsContact C-N 3.31Å; Y139-R141 PolarHBondContact O-N 2.98Å; R141-C143 VanDerWaalsContact C-N 3.33Å; R141-A144 PolarHBondContact O-N 2.9Å; R141-Q145 WeakPolarHBondContact O-CG 3.15Å; R141-Q145 PolarHBondContact O-N 2.86Å; R141-A193 VanDerWaalsContact NH2-CB 3.35Å |
| 142 | R | 95 | Very high | 94.5 | Very high | 107 Ų | 107 | 41.4 Ų | 41.4 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 176.9 | -177.4 | 57.9 | -172.3 | -176.7 | 5.2 | 111.1 | V109 F114 A138 Y139 A144 Q145 E146 | V109-R142 HydrophobicContact CB-CG 4.39Å; V109-R142 HydrophobicContact CG1-CB 4.39Å; V109-R142 HydrophobicContact CG1-CG 3.59Å; V109-R142 HydrophobicContact CG2-CG 3.82Å; F114-R142 HydrophobicContact CZ-CB 4.19Å; F114-R142 HydrophobicContact CZ-CG 4.37Å; A138-R142 PolarHBondContact O-N 2.92Å; A138-R142 VanDerWaalsContact O-N 3.09Å; Y139-R142 WeakPolarHBondContact O-CB 3.36Å; Y139-R142 PolarHBondContact O-N 3.09Å; R142-A144 VanDerWaalsContact C-N 3.32Å; R142-A144 PolarHBondContact O-N 2.98Å; R142-Q145 PolarHBondContact O-N 3.03Å; R142-E146 IonicContact CZ-OE1 3.85Å; R142-E146 IonicContact NE-OE1 2.68Å; R142-E146 PolarHBondContact NE-OE1 3.26Å; R142-E146 IonicContact NH1-OE1 3.66Å; R142-E146 IonicContact NH2-OE1 3.34Å; R142-E146 PolarHBondContact NH2-OE1 3.07Å; R142-E146 PolarHBondContact O-N 2.92Å |
| 143 | C | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.9 | -47.4 | 172.4 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | C105 Y139 A140 R141 Q145 E146 G147 A148 | C105-C143 HydrophobicContact CB-CB 3.55Å; C105-C143 WeakPolarHBondContact CB-SG 3.03Å; C105-C143 VanDerWaalsContact SG-CA 3.52Å; C105-C143 WeakPolarHBondContact SG-CB 3.04Å; C105-C143 CovalentContact SG-SG 2Å; C105-C143 PolarHBondContact SG-SG 2.91Å; Y139-C143 PolarHBondContact O-N 3.44Å; Y139-C143 PolarHBondContact O-SG 3.08Å; A140-C143 WeakPolarHBondContact O-CB 2.97Å; A140-C143 PolarHBondContact O-N 3.43Å; R141-C143 VanDerWaalsContact C-N 3.33Å; C143-Q145 VanDerWaalsContact C-N 3.3Å; C143-Q145 PolarHBondContact O-N 3.17Å; C143-E146 CarbonylContact O-C 3.56Å; C143-E146 WeakPolarHBondContact O-CA 3.43Å; C143-E146 PolarHBondContact O-N 3.39Å; C143-G147 PolarHBondContact O-N 2.53Å; C143-A148 CarbonylContact C-O 3.54Å; C143-A148 HydrophobicContact CB-CB 4.46Å; C143-A148 WeakPolarHBondContact CB-O 3.32Å; C143-A148 PolarHBondContact O-N 3.38Å; C143-A148 VanDerWaalsContact O-O 3.12Å |
| 144 | A | 94.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.5 | -30.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A140 R141 R142 E146 G147 A148 E170 C171 | A140-A144 WeakPolarHBondContact O-CB 3.41Å; A140-A144 PolarHBondContact O-N 3.4Å; R141-A144 PolarHBondContact O-N 2.9Å; R142-A144 VanDerWaalsContact C-N 3.32Å; R142-A144 PolarHBondContact O-N 2.98Å; A144-E146 VanDerWaalsContact C-N 3.28Å; A144-E146 PolarHBondContact O-N 3.28Å; A144-G147 PolarHBondContact O-N 3.46Å; A144-G147 VanDerWaalsContact O-N 3.1Å; A144-A148 VanDerWaalsContact CA-O 3.24Å; A144-A148 WeakPolarHBondContact CA-O 3.45Å; A144-A148 PolarHBondContact N-O 3.23Å; A144-E170 HydrophobicContact CB-CB 3.87Å; A144-C171 HydrophobicContact CB-CB 3.43Å; A144-C171 VanDerWaalsContact CB-CB 3.43Å |
| 145 | Q | 91.9 | Very high | 94.1 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.4 | -31.1 | 170.5 | -72.3 | 169.7 | -5 | 0 | 0 | 112.9 | R141 R142 C143 G147 | R141-Q145 WeakPolarHBondContact O-CG 3.15Å; R141-Q145 PolarHBondContact O-N 2.86Å; R142-Q145 PolarHBondContact O-N 3.03Å; C143-Q145 VanDerWaalsContact C-N 3.3Å; C143-Q145 PolarHBondContact O-N 3.17Å; Q145-G147 VanDerWaalsContact C-N 3.27Å |
| 146 | E | 92.9 | Very high | 93.9 | Very high | 86 Ų | 86 | 56 Ų | 56 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 4.4 | 174.1 | -56.1 | -61.9 | 159.5 | 0 | 0 | 112.5 | L108 V109 R142 C143 A144 | L108-E146 HydrophobicContact CB-CB 3.94Å; L108-E146 HydrophobicContact CB-CG 4.36Å; L108-E146 HydrophobicContact CD1-CB 3.9Å; L108-E146 HydrophobicContact CG-CB 4.43Å; V109-E146 HydrophobicContact CG2-CG 3.83Å; R142-E146 IonicContact CZ-OE1 3.85Å; R142-E146 IonicContact NE-OE1 2.68Å; R142-E146 PolarHBondContact NE-OE1 3.26Å; R142-E146 IonicContact NH1-OE1 3.66Å; R142-E146 IonicContact NH2-OE1 3.34Å; R142-E146 PolarHBondContact NH2-OE1 3.07Å; R142-E146 PolarHBondContact O-N 2.92Å; C143-E146 CarbonylContact O-C 3.56Å; C143-E146 WeakPolarHBondContact O-CA 3.43Å; C143-E146 PolarHBondContact O-N 3.39Å; A144-E146 VanDerWaalsContact C-N 3.28Å; A144-E146 PolarHBondContact O-N 3.28Å |
| 147 | G | 91.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 57.8 Ų | 57.8 | 71% | 0.711 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | 1.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | C143 A144 Q145 | C143-G147 PolarHBondContact O-N 2.53Å; A144-G147 PolarHBondContact O-N 3.46Å; A144-G147 VanDerWaalsContact O-N 3.1Å; Q145-G147 VanDerWaalsContact C-N 3.27Å |
| 148 | A | 94.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | trans | -107.1 | 110.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E104 C105 L108 C143 A144 P150 | E104-A148 HydrophobicContact CB-CB 4.41Å; E104-A148 HydrophobicContact CG-CB 4.17Å; C105-A148 HydrophobicContact CB-CB 4.4Å; L108-A148 HydrophobicContact CD1-CB 3.63Å; C143-A148 CarbonylContact C-O 3.54Å; C143-A148 HydrophobicContact CB-CB 4.46Å; C143-A148 WeakPolarHBondContact CB-O 3.32Å; C143-A148 PolarHBondContact O-N 3.38Å; C143-A148 VanDerWaalsContact O-O 3.12Å; A144-A148 VanDerWaalsContact CA-O 3.24Å; A144-A148 WeakPolarHBondContact CA-O 3.45Å; A144-A148 PolarHBondContact N-O 3.23Å; A148-P150 VanDerWaalsContact C-CD 3.5Å; A148-P150 WeakPolarHBondContact O-CD 3.49Å | ||
| 149 | S | 92.4 | Very high | 93.6 | Very high | 80 Ų | 80 | 59.6 Ų | 59.6 | 56% | 0.559 | 33% | 0.333 | S | S | * | . | trans | -116.2 | 75.8 | 180 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 150 | P | 90.2 | Very high | 93.5 | Very high | 21 Ų | 21 | 62.3 Ų | 62.3 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | trans | -68.6 | 143.9 | -178.2 | 27.9 | -33.6 | 0 | 0 | 0 | 112.2 | V101 F102 A148 W152 | V101-P150 HydrophobicContact CG1-CB 4.38Å; V101-P150 WeakPolarHBondContact O-CB 3.37Å; F102-P150 HydrophobicContact CD1-CG 3.52Å; F102-P150 HydrophobicContact CE1-CG 3.66Å; F102-P150 HydrophobicContact CG-CG 4.38Å; A148-P150 VanDerWaalsContact C-CD 3.5Å; A148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-W152 VanDerWaalsContact C-N 3.28Å; P150-W152 PolarHBondContact O-N 2.91Å | ||
| 151 | P | 91.4 | Very high | 93.3 | Very high | 124 Ų | 124 | 70.4 Ų | 70.4 | 81% | 0.805 | 39% | 0.389 | S | S | * | . | trans | -78.7 | 75.8 | 177 | 33.4 | -35.2 | 0 | 0 | 0 | 110.7 | ||||
| 152 | W | 95 | Very high | 93.2 | Very high | 7 Ų | 7 | 68.1 Ų | 68.1 | 3% | 0.027 | 38% | 0.384 | C | S | . | . | trans | -88.6 | -24.5 | -175.8 | 71.2 | -87.4 | 0 | 0 | 0 | 113.9 | V101 F102 L136 A140 P150 L157 C158 E170 | V101-W152 HydrophobicContact CG1-CB 3.61Å; F102-W152 HydrophobicContact CE1-CB 4.29Å; F102-W152 HydrophobicContact CE1-CG 4.25Å; F102-W152 HydrophobicContact CE2-CB 3.84Å; F102-W152 HydrophobicContact CE2-CG 4.27Å; F102-W152 HydrophobicContact CZ-CB 3.54Å; F102-W152 AromaticContact CZ-CD1 3.92Å; F102-W152 HydrophobicContact CZ-CD2 4.09Å; F102-W152 AromaticContact CZ-CG 3.55Å; F102-W152 HydrophobicContact CZ-CG 3.55Å; L136-W152 HydrophobicContact CB-CE3 4.02Å; L136-W152 HydrophobicContact CB-CH2 3.48Å; L136-W152 VanDerWaalsContact CB-CH2 3.48Å; L136-W152 HydrophobicContact CB-CZ2 4.18Å; L136-W152 HydrophobicContact CB-CZ3 3.4Å; L136-W152 VanDerWaalsContact CB-CZ3 3.4Å; L136-W152 HydrophobicContact CD1-CE3 4.11Å; L136-W152 HydrophobicContact CD1-CH2 4.49Å; L136-W152 HydrophobicContact CD1-CZ3 3.65Å; L136-W152 HydrophobicContact CG-CZ3 4.18Å; A140-W152 VanDerWaalsContact CB-CD1 3.46Å; A140-W152 HydrophobicContact CB-CD2 4.49Å; A140-W152 HydrophobicContact CB-CG 4.35Å; A140-W152 HydrophobicContact CB-CZ2 4.24Å; P150-W152 VanDerWaalsContact C-N 3.28Å; P150-W152 PolarHBondContact O-N 2.91Å; W152-L157 HydrophobicContact CE3-CD2 4.37Å; W152-C158 HydrophobicContact CH2-CB 3.81Å; W152-C158 HydrophobicContact CZ3-CB 3.67Å; W152-E170 VanDerWaalsContact CZ2-OE1 3.29Å; W152-E170 WeakPolarHBondContact CZ2-OE1 3.21Å; W152-E170 PolarHBondContact NE1-OE1 3.44Å | ||
| 153 | R | 95 | Very high | 93.1 | Very high | 51 Ų | 51 | 67.2 Ų | 67.2 | 19% | 0.192 | 39% | 0.392 | C | S | . | . | trans | -79.2 | 143.7 | 175.4 | -63.3 | -179 | -176.7 | -90 | 3.9 | 110.7 | S137 C158 Y168 E170 | S137-R153 PolarHBondContact OG-NH2 3.49Å; R153-C158 WeakPolarHBondContact CD-O 3.11Å; R153-C158 PolarHBondContact NH1-O 2.74Å; R153-Y168 VanDerWaalsContact NE-CE1 3.32Å; R153-Y168 PolarHBondContact NH2-OH 3.38Å; R153-E170 IonicContact CZ-OE1 3.06Å; R153-E170 IonicContact NE-OE1 3.79Å; R153-E170 PolarHBondContact NE-OE1 3.3Å; R153-E170 IonicContact NH2-OE1 2.76Å; R153-E170 PolarHBondContact NH2-OE1 2.93Å | ||
| 154 | N | 93 | Very high | 92.8 | Very high | 79 Ų | 79 | 67.8 Ų | 67.8 | 42% | 0.422 | 40% | 0.399 | S | S | . | . | trans | -149.4 | -177.6 | 171.9 | 65.1 | 53.7 | 0 | 0 | 0 | 110.3 | T156 L157 | N154-T156 PolarHBondContact O-N 3.38Å; N154-T156 VanDerWaalsContact O-N 3.14Å; N154-T156 WeakPolarHBondContact OD1-CA 3.4Å; N154-T156 PolarHBondContact OD1-N 3.05Å; N154-T156 PolarHBondContact OD1-OG1 2.83Å; N154-L157 PolarHBondContact N-O 2.87Å; N154-L157 CarbonylContact O-C 3.48Å; N154-L157 PolarHBondContact O-N 3.33Å; N154-L157 VanDerWaalsContact O-O 3.04Å; N154-L157 PolarHBondContact OD1-N 3.1Å | ||
| 155 | Q | 91.1 | Very high | 92.7 | Very high | 186 Ų | 186 | 70 Ų | 70 | 87% | 0.869 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -61.2 | -24.3 | -177.5 | -64.9 | 178 | 9.3 | 0 | 0 | 113.6 | ||
| 156 | T | 91.1 | Very high | 92.7 | Very high | 133 Ų | 133 | 66.8 Ų | 66.8 | 82% | 0.816 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -101.4 | -19.3 | -179.3 | 63 | 0 | 0 | 0 | 0 | 113.5 | N154 | N154-T156 PolarHBondContact O-N 3.38Å; N154-T156 VanDerWaalsContact O-N 3.14Å; N154-T156 WeakPolarHBondContact OD1-CA 3.4Å; N154-T156 PolarHBondContact OD1-N 3.05Å; N154-T156 PolarHBondContact OD1-OG1 2.83Å |
| 157 | L | 93.4 | Very high | 92.6 | Very high | 37 Ų | 37 | 68.2 Ų | 68.2 | 19% | 0.194 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -125.6 | 107.4 | -176 | -177.4 | 65.9 | 0 | 0 | 0 | 110.4 | I96 L132 L136 W152 N154 | I96-L157 HydrophobicContact CD1-CD2 3.25Å; L132-L157 HydrophobicContact CD2-CD1 4.2Å; L136-L157 HydrophobicContact CD1-CD1 4.28Å; L136-L157 HydrophobicContact CD1-CD2 4.48Å; W152-L157 HydrophobicContact CE3-CD2 4.37Å; N154-L157 PolarHBondContact N-O 2.87Å; N154-L157 CarbonylContact O-C 3.48Å; N154-L157 PolarHBondContact O-N 3.33Å; N154-L157 VanDerWaalsContact O-O 3.04Å; N154-L157 PolarHBondContact OD1-N 3.1Å |
| 158 | C | 94.8 | Very high | 92.7 | Very high | 11 Ų | 11 | 68.1 Ų | 68.1 | 7% | 0.074 | 39% | 0.392 | C | S | . | . | S | Bend | trans | 51 | 53 | 174.7 | -50.9 | 0 | 0 | 0 | 0 | 113.5 | C133 W152 R153 | C133-C158 WeakPolarHBondContact CA-SG 3.48Å; C133-C158 HydrophobicContact CB-CB 3.66Å; C133-C158 WeakPolarHBondContact CB-SG 3.23Å; C133-C158 WeakPolarHBondContact SG-CA 3.49Å; C133-C158 WeakPolarHBondContact SG-CB 3.16Å; C133-C158 CovalentContact SG-SG 2.02Å; C133-C158 PolarHBondContact SG-SG 3.03Å; W152-C158 HydrophobicContact CH2-CB 3.81Å; W152-C158 HydrophobicContact CZ3-CB 3.67Å; R153-C158 WeakPolarHBondContact CD-O 3.11Å; R153-C158 PolarHBondContact NH1-O 2.74Å |
| 159 | P | 95 | Very high | 92.6 | Very high | 85 Ų | 85 | 72.3 Ų | 72.3 | 55% | 0.552 | 41% | 0.406 | S | S | * | . | trans | -63.9 | 143.2 | -176 | 28.6 | -35.5 | 0 | 0 | 0 | 111 | ||||
| 160 | V | 94.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 68.8 Ų | 68.8 | 34% | 0.339 | 38% | 0.381 | S | S | . | . | trans | -125.8 | 134.1 | 173.2 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | Y168 | V160-Y168 HydrophobicContact CB-CD2 4.13Å; V160-Y168 HydrophobicContact CB-CG 4.18Å; V160-Y168 HydrophobicContact CG1-CD2 3.55Å; V160-Y168 HydrophobicContact CG1-CE2 4.06Å; V160-Y168 HydrophobicContact CG1-CG 4.03Å; V160-Y168 HydrophobicContact CG2-CD2 4.27Å; V160-Y168 HydrophobicContact CG2-CE2 4.25Å; V160-Y168 HydrophobicContact CG2-CG 4.41Å | ||
| 161 | M | 93.3 | Very high | 92.6 | Very high | 170 Ų | 170 | 69.5 Ų | 69.5 | 84% | 0.837 | 39% | 0.386 | S | S | * | . | trans | -107.3 | 118.6 | 178.3 | -67.4 | -86.2 | 38 | 0 | 0 | 110.2 | ||||
| 162 | C | 92.6 | Very high | 92.4 | Very high | 26 Ų | 26 | 63.6 Ų | 63.6 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | trans | -106.8 | 123.8 | 178 | -68.3 | 0 | 0 | 0 | 0 | 109.9 | Q166 Y168 C195 | C162-Q166 HydrophobicContact CB-CB 3.9Å; C162-Q166 VanDerWaalsContact CB-O 3.24Å; C162-Q166 WeakPolarHBondContact CB-O 3.49Å; C162-Y168 PolarHBondContact SG-N 3.24Å; C162-C195 WeakPolarHBondContact CA-SG 3.29Å; C162-C195 HydrophobicContact CB-CB 3.64Å; C162-C195 WeakPolarHBondContact CB-SG 3.43Å; C162-C195 VanDerWaalsContact SG-CA 3.6Å; C162-C195 WeakPolarHBondContact SG-CB 3.48Å; C162-C195 CovalentContact SG-SG 2.04Å; C162-C195 PolarHBondContact SG-SG 2.9Å | ||
| 163 | P | 92 | Very high | 91.7 | Very high | 87 Ų | 87 | 66.9 Ų | 66.9 | 57% | 0.565 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -77.8 | 167.2 | 179.3 | 32.3 | -34 | 0 | 0 | 0 | 111.5 | G165 Q166 | P163-G165 VanDerWaalsContact C-N 3.35Å; P163-G165 PolarHBondContact O-N 2.9Å; P163-Q166 VanDerWaalsContact O-CB 3.26Å; P163-Q166 WeakPolarHBondContact O-CB 3.47Å; P163-Q166 WeakPolarHBondContact O-CG 3.34Å; P163-Q166 PolarHBondContact O-N 3.49Å; P163-Q166 VanDerWaalsContact O-N 3.15Å; P163-Q166 PolarHBondContact O-NE2 3.21Å |
| 164 | G | 90.3 | Very high | 90.8 | Very high | 13 Ų | 13 | 66.9 Ų | 66.9 | 13% | 0.134 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 31.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q166 C209 | G164-Q166 PolarHBondContact O-N 3.09Å; G164-C209 PolarHBondContact O-N 2.94Å |
| 165 | G | 90.9 | Very high | 89.8 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 60% | 0.598 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 14.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P163 | P163-G165 VanDerWaalsContact C-N 3.35Å; P163-G165 PolarHBondContact O-N 2.9Å |
| 166 | Q | 91.8 | Very high | 88.6 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | trans | -77.1 | 156.4 | 175.4 | -64.4 | 169.3 | 57.2 | 0 | 0 | 111.6 | C162 P163 G164 C195 N196 W203 C209 | C162-Q166 HydrophobicContact CB-CB 3.9Å; C162-Q166 VanDerWaalsContact CB-O 3.24Å; C162-Q166 WeakPolarHBondContact CB-O 3.49Å; P163-Q166 VanDerWaalsContact O-CB 3.26Å; P163-Q166 WeakPolarHBondContact O-CB 3.47Å; P163-Q166 WeakPolarHBondContact O-CG 3.34Å; P163-Q166 PolarHBondContact O-N 3.49Å; P163-Q166 VanDerWaalsContact O-N 3.15Å; P163-Q166 PolarHBondContact O-NE2 3.21Å; G164-Q166 PolarHBondContact O-N 3.09Å; Q166-C195 HydrophobicContact CB-CB 4.05Å; Q166-C195 PolarHBondContact OE1-O 3.35Å; Q166-N196 WeakPolarHBondContact CA-O 3.34Å; Q166-W203 HydrophobicContact CG-CE3 4.46Å; Q166-W203 HydrophobicContact CG-CZ3 4.17Å; Q166-C209 WeakPolarHBondContact CG-SG 3.44Å | ||
| 167 | E | 91.9 | Very high | 87.9 | Confident | 116 Ų | 116 | 55.5 Ų | 55.5 | 54% | 0.542 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.4 | 174.5 | -69 | 178.8 | 179.7 | 0 | 0 | 110.4 | C195 N196 P198 | E167-C195 WeakPolarHBondContact O-CA 3.25Å; E167-N196 PolarHBondContact N-O 2.89Å; E167-N196 PolarHBondContact O-N 2.74Å; E167-P198 HydrophobicContact CG-CG 4.03Å |
| 168 | Y | 92.7 | Very high | 87.5 | Confident | 66 Ų | 66 | 58 Ų | 58 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 133.3 | 176 | -175.9 | -99 | 0 | 0 | 0 | 110.4 | R153 V160 C162 E170 | R153-Y168 VanDerWaalsContact NE-CE1 3.32Å; R153-Y168 PolarHBondContact NH2-OH 3.38Å; V160-Y168 HydrophobicContact CB-CD2 4.13Å; V160-Y168 HydrophobicContact CB-CG 4.18Å; V160-Y168 HydrophobicContact CG1-CD2 3.55Å; V160-Y168 HydrophobicContact CG1-CE2 4.06Å; V160-Y168 HydrophobicContact CG1-CG 4.03Å; V160-Y168 HydrophobicContact CG2-CD2 4.27Å; V160-Y168 HydrophobicContact CG2-CE2 4.25Å; V160-Y168 HydrophobicContact CG2-CG 4.41Å; C162-Y168 PolarHBondContact SG-N 3.24Å; Y168-E170 HydrophobicContact CE1-CG 4.22Å; Y168-E170 WeakPolarHBondContact CE1-OE1 3.4Å; Y168-E170 PolarHBondContact OH-OE2 3.15Å |
| 169 | R | 92 | Very high | 87.1 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 36% | 0.362 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.7 | 174.4 | -52.9 | -176.7 | 88 | -166.8 | 3.7 | 109.1 | C171 A172 A193 G194 | R169-C171 PolarHBondContact O-N 3.09Å; R169-A172 HydrophobicContact CB-CB 4.16Å; R169-A193 CarbonylContact O-C 3.52Å; R169-A193 VanDerWaalsContact O-CA 3.24Å; R169-A193 WeakPolarHBondContact O-CA 3.05Å; R169-G194 PolarHBondContact N-O 2.04Å; R169-G194 PolarHBondContact O-N 3.2Å |
| 170 | E | 92.8 | Very high | 86.2 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -25 | 177.2 | -68.8 | -66.5 | 173.3 | 0 | 0 | 112.4 | A140 A144 W152 R153 Y168 A193 | A140-E170 HydrophobicContact CB-CG 3.93Å; A144-E170 HydrophobicContact CB-CB 3.87Å; W152-E170 VanDerWaalsContact CZ2-OE1 3.29Å; W152-E170 WeakPolarHBondContact CZ2-OE1 3.21Å; W152-E170 PolarHBondContact NE1-OE1 3.44Å; R153-E170 IonicContact CZ-OE1 3.06Å; R153-E170 IonicContact NE-OE1 3.79Å; R153-E170 PolarHBondContact NE-OE1 3.3Å; R153-E170 IonicContact NH2-OE1 2.76Å; R153-E170 PolarHBondContact NH2-OE1 2.93Å; Y168-E170 HydrophobicContact CE1-CG 4.22Å; Y168-E170 WeakPolarHBondContact CE1-OE1 3.4Å; Y168-E170 PolarHBondContact OH-OE2 3.15Å; E170-A193 WeakPolarHBondContact O-CA 3.38Å; E170-A193 VanDerWaalsContact O-CB 3.3Å; E170-A193 WeakPolarHBondContact O-CB 3Å; E170-A193 PolarHBondContact O-N 3.11Å |
| 171 | C | 91 | Very high | 84.9 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 24% | 0.243 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 91.5 | -179.1 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | A144 R169 C191 | A144-C171 HydrophobicContact CB-CB 3.43Å; A144-C171 VanDerWaalsContact CB-CB 3.43Å; R169-C171 PolarHBondContact O-N 3.09Å; C171-C191 VanDerWaalsContact CA-SG 3.5Å; C171-C191 HydrophobicContact CB-CB 3.88Å; C171-C191 WeakPolarHBondContact CB-SG 2.99Å; C171-C191 WeakPolarHBondContact SG-CB 3.46Å; C171-C191 CovalentContact SG-SG 2.01Å; C171-C191 PolarHBondContact SG-SG 3.39Å |
| 172 | A | 87.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 154.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R169 A174 C191 V192 N196 | R169-A172 HydrophobicContact CB-CB 4.16Å; A172-A174 PolarHBondContact O-N 3.3Å; A172-C191 CarbonylContact O-C 2.94Å; A172-C191 WeakPolarHBondContact O-CA 3.46Å; A172-C191 WeakPolarHBondContact O-CB 3.23Å; A172-V192 PolarHBondContact N-O 3.23Å; A172-V192 PolarHBondContact O-N 2.93Å; A172-N196 HydrophobicContact CB-CB 4.26Å; A172-N196 WeakPolarHBondContact CB-ND2 3.31Å |
| 173 | P | 80.5 | Confident | 82.1 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 140.4 | 171.3 | -24.3 | 34.3 | 0 | 0 | 0 | 110.9 | C175 | P173-C175 PolarHBondContact O-N 3.36Å |
| 174 | A | 75.2 | Confident | 80.7 | Confident | 51 Ų | 51 | 70 Ų | 70 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -63.6 | -20.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | A172 L188 V192 | A172-A174 PolarHBondContact O-N 3.3Å; A174-L188 HydrophobicContact CB-CD2 4.07Å; A174-V192 HydrophobicContact CB-CG1 4.43Å |
| 175 | C | 73.3 | Confident | 79.5 | Confident | 25 Ų | 25 | 71.6 Ų | 71.6 | 17% | 0.169 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -100.8 | 142.2 | 171.6 | 75.1 | 0 | 0 | 0 | 0 | 111.3 | P173 C185 | P173-C175 PolarHBondContact O-N 3.36Å; C175-C185 HydrophobicContact CB-CB 3.75Å; C175-C185 WeakPolarHBondContact CB-SG 3.49Å; C175-C185 WeakPolarHBondContact SG-CB 3.47Å; C175-C185 CovalentContact SG-SG 1.98Å; C175-C185 PolarHBondContact SG-SG 3.31Å |
| 176 | G | 65.6 | Low | 77.7 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 21% | 0.206 | 40% | 0.402 | C | S | . | . | trans | -88.4 | 157 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H178 | G176-H178 PolarHBondContact O-CD2 3.12Å; G176-H178 VanDerWaalsContact O-CD2 3.26Å; G176-H178 PolarHBondContact O-N 3.11Å | ||
| 177 | Q | 76.1 | Confident | 75.9 | Confident | 115 Ų | 115 | 80 Ų | 80 | 54% | 0.537 | 44% | 0.443 | S | S | . | . | trans | -88.2 | 99.6 | 167.5 | -67.1 | -69.8 | -40.3 | 0 | 0 | 108 | L202 W203 | Q177-L202 HydrophobicContact CB-CD2 3.53Å; Q177-L202 CarbonylContact O-C 3.57Å; Q177-L202 WeakPolarHBondContact O-CA 3.48Å; Q177-W203 PolarHBondContact O-N 3.09Å | ||
| 178 | H | 84.3 | Confident | 74.2 | Confident | 88 Ų | 88 | 80.1 Ų | 80.1 | 41% | 0.407 | 45% | 0.447 | S | S | . | . | B | Isolated β-bridge | trans | -102 | 150.5 | -177.6 | -60.1 | -83 | 0 | 0 | 0 | 111.5 | G176 G180 W203 | G176-H178 PolarHBondContact O-CD2 3.12Å; G176-H178 VanDerWaalsContact O-CD2 3.26Å; G176-H178 PolarHBondContact O-N 3.11Å; H178-G180 PolarHBondContact O-N 2.04Å; H178-W203 AromaticContact ND1-CG 3.76Å |
| 179 | C | 86.3 | Confident | 72.7 | Confident | 24 Ų | 24 | 81.4 Ų | 81.4 | 16% | 0.162 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -59.4 | 123.1 | 167.5 | -73.3 | 0 | 0 | 0 | 0 | 109.9 | W203 C215 | C179-W203 PolarHBondContact N-O 3.32Å; C179-C215 WeakPolarHBondContact CA-SG 3.26Å; C179-C215 HydrophobicContact CB-CB 3.58Å; C179-C215 WeakPolarHBondContact CB-SG 3.34Å; C179-C215 WeakPolarHBondContact SG-CA 3.34Å; C179-C215 WeakPolarHBondContact SG-CB 3.28Å; C179-C215 CovalentContact SG-SG 2.04Å; C179-C215 PolarHBondContact SG-SG 3.36Å |
| 180 | G | 77.8 | Confident | 71.8 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 64% | 0.639 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 134.2 | -148.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H178 | H178-G180 PolarHBondContact O-N 2.04Š|
| 181 | K | 65.8 | Low | 71.4 | Confident | 197 Ų | 197 | 80.7 Ų | 80.7 | 86% | 0.857 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -71.7 | 126.4 | 174.8 | -72.6 | -173.2 | 177.4 | -177.1 | 0 | 108.5 | E183 | K181-E183 PolarHBondContact O-N 3.4Š|
| 182 | P | 63.9 | Low | 71.2 | Confident | 111 Ų | 111 | 82.4 Ų | 82.4 | 72% | 0.721 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 125.6 | 170.9 | -19.2 | 29.8 | 0 | 0 | 0 | 108.6 | ||
| 183 | E | 63.7 | Low | 71.4 | Confident | 135 Ų | 135 | 83.6 Ų | 83.6 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 130.8 | 165.7 | -65.7 | -168.6 | 149.8 | 0 | 0 | 107.5 | K181 C185 | K181-E183 PolarHBondContact O-N 3.4Å; E183-C185 PolarHBondContact O-N 3.07Å; E183-C185 VanDerWaalsContact O-N 3.09Å; E183-C185 PolarHBondContact O-SG 3.46Å |
| 184 | D | 62.8 | Low | 71.9 | Confident | 160 Ų | 160 | 81 Ų | 81 | 86% | 0.856 | 50% | 0.496 | S | S | * | . | trans | -76.4 | 98.3 | 171.3 | -172 | 4.6 | 0 | 0 | 0 | 107.8 | G186 | D184-G186 PolarHBondContact O-N 2.94Å; D184-G186 PolarHBondContact OD1-N 3.11Å; D184-G186 VanDerWaalsContact OD1-N 3.14Å | ||
| 185 | C | 63.2 | Low | 72.6 | Confident | 46 Ų | 46 | 80.2 Ų | 80.2 | 31% | 0.311 | 49% | 0.487 | S | S | . | . | trans | -88.2 | 17.5 | 179.4 | -41.7 | 0 | 0 | 0 | 0 | 113 | C175 E183 E187 | C175-C185 HydrophobicContact CB-CB 3.75Å; C175-C185 WeakPolarHBondContact CB-SG 3.49Å; C175-C185 WeakPolarHBondContact SG-CB 3.47Å; C175-C185 CovalentContact SG-SG 1.98Å; C175-C185 PolarHBondContact SG-SG 3.31Å; E183-C185 PolarHBondContact O-N 3.07Å; E183-C185 VanDerWaalsContact O-N 3.09Å; E183-C185 PolarHBondContact O-SG 3.46Å; C185-E187 PolarHBondContact O-N 3.37Å | ||
| 186 | G | 54.9 | Low | 73.3 | Confident | 51 Ų | 51 | 80.3 Ų | 80.3 | 53% | 0.526 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | 126 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D184 L188 | D184-G186 PolarHBondContact O-N 2.94Å; D184-G186 PolarHBondContact OD1-N 3.11Å; D184-G186 VanDerWaalsContact OD1-N 3.14Å; G186-L188 PolarHBondContact O-N 3.38Å |
| 187 | E | 54 | Low | 74.5 | Confident | 199 Ų | 199 | 80.3 Ų | 80.3 | 93% | 0.93 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 13.5 | 166.8 | -57.6 | -166.5 | 157.6 | 0 | 0 | 119.6 | C185 G189 | C185-E187 PolarHBondContact O-N 3.37Å; E187-G189 VanDerWaalsContact C-N 3.25Å; E187-G189 PolarHBondContact O-N 2.85Å |
| 188 | L | 56.3 | Low | 75.2 | Confident | 119 Ų | 119 | 76.3 Ų | 76.3 | 62% | 0.623 | 47% | 0.466 | S | S | * | . | trans | -76.8 | 86.6 | 155 | -102.3 | 77 | 0 | 0 | 0 | 108.3 | A174 G186 S190 | A174-L188 HydrophobicContact CB-CD2 4.07Å; G186-L188 PolarHBondContact O-N 3.38Å; L188-S190 PolarHBondContact O-N 3.44Å | ||
| 189 | G | 59.4 | Low | 75.3 | Confident | 93 Ų | 93 | 79.3 Ų | 79.3 | 96% | 0.959 | 49% | 0.485 | S | S | * | . | trans | -61.7 | 14.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114 | E187 | E187-G189 VanDerWaalsContact C-N 3.25Å; E187-G189 PolarHBondContact O-N 2.85Å | ||
| 190 | S | 73.4 | Confident | 75.3 | Confident | 62 Ų | 62 | 81 Ų | 81 | 43% | 0.434 | 51% | 0.506 | S | S | . | . | trans | -108.7 | 127.3 | 178 | 60.3 | 0 | 0 | 0 | 0 | 110.3 | L188 | L188-S190 PolarHBondContact O-N 3.44Š| ||
| 191 | C | 85.6 | Confident | 75.9 | Confident | 25 Ų | 25 | 80.5 Ų | 80.5 | 17% | 0.169 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 156.5 | 168.7 | 66 | 0 | 0 | 0 | 0 | 110.5 | C171 A172 | C171-C191 VanDerWaalsContact CA-SG 3.5Å; C171-C191 HydrophobicContact CB-CB 3.88Å; C171-C191 WeakPolarHBondContact CB-SG 2.99Å; C171-C191 WeakPolarHBondContact SG-CB 3.46Å; C171-C191 CovalentContact SG-SG 2.01Å; C171-C191 PolarHBondContact SG-SG 3.39Å; A172-C191 CarbonylContact O-C 2.94Å; A172-C191 WeakPolarHBondContact O-CA 3.46Å; A172-C191 WeakPolarHBondContact O-CB 3.23Å |
| 192 | V | 87 | Confident | 77 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 44% | 0.436 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.5 | 177.7 | -60.9 | 0 | 0 | 0 | 0 | 109.8 | A172 A174 | A172-V192 PolarHBondContact N-O 3.23Å; A172-V192 PolarHBondContact O-N 2.93Å; A174-V192 HydrophobicContact CB-CG1 4.43Å |
| 193 | A | 90.5 | Very high | 78.2 | Confident | 25 Ų | 25 | 71 Ų | 71 | 21% | 0.207 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 135.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | R141 R169 E170 | R141-A193 VanDerWaalsContact NH2-CB 3.35Å; R169-A193 CarbonylContact O-C 3.52Å; R169-A193 VanDerWaalsContact O-CA 3.24Å; R169-A193 WeakPolarHBondContact O-CA 3.05Å; E170-A193 WeakPolarHBondContact O-CA 3.38Å; E170-A193 VanDerWaalsContact O-CB 3.3Å; E170-A193 WeakPolarHBondContact O-CB 3Å; E170-A193 PolarHBondContact O-N 3.11Å |
| 194 | G | 90.1 | Very high | 79.4 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 21% | 0.206 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.7 | 174.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R169 N196 | R169-G194 PolarHBondContact N-O 2.04Å; R169-G194 PolarHBondContact O-N 3.2Å; G194-N196 PolarHBondContact O-ND2 3.3Å |
| 195 | C | 91 | Very high | 80.5 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 127.3 | 172.5 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | C162 Q166 E167 | C162-C195 WeakPolarHBondContact CA-SG 3.29Å; C162-C195 HydrophobicContact CB-CB 3.64Å; C162-C195 WeakPolarHBondContact CB-SG 3.43Å; C162-C195 VanDerWaalsContact SG-CA 3.6Å; C162-C195 WeakPolarHBondContact SG-CB 3.48Å; C162-C195 CovalentContact SG-SG 2.04Å; C162-C195 PolarHBondContact SG-SG 2.9Å; Q166-C195 HydrophobicContact CB-CB 4.05Å; Q166-C195 PolarHBondContact OE1-O 3.35Å; E167-C195 WeakPolarHBondContact O-CA 3.25Å |
| 196 | N | 88.6 | Confident | 81.6 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.2 | -177 | -74.1 | -94.6 | 0 | 0 | 0 | 109.8 | Q166 E167 A172 G194 | Q166-N196 WeakPolarHBondContact CA-O 3.34Å; E167-N196 PolarHBondContact N-O 2.89Å; E167-N196 PolarHBondContact O-N 2.74Å; A172-N196 HydrophobicContact CB-CB 4.26Å; A172-N196 WeakPolarHBondContact CB-ND2 3.31Å; G194-N196 PolarHBondContact O-ND2 3.3Å |
| 197 | C | 89.8 | Confident | 83.1 | Confident | 20 Ų | 20 | 63 Ų | 63 | 14% | 0.135 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -65 | 141 | 171.4 | -69.3 | 0 | 0 | 0 | 0 | 111 | L201 C209 | C197-L201 HydrophobicContact CB-CB 4.12Å; C197-C209 WeakPolarHBondContact CA-SG 3.29Å; C197-C209 HydrophobicContact CB-CB 3.81Å; C197-C209 WeakPolarHBondContact CB-SG 3.44Å; C197-C209 WeakPolarHBondContact SG-CA 3.34Å; C197-C209 WeakPolarHBondContact SG-CB 3.5Å; C197-C209 CovalentContact SG-SG 2.04Å; C197-C209 PolarHBondContact SG-SG 2.72Å |
| 198 | P | 90.1 | Very high | 84.9 | Confident | 31 Ų | 31 | 58 Ų | 58 | 20% | 0.201 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 157.6 | 169.5 | -25.6 | 33.4 | 0 | 0 | 0 | 111.9 | E167 G200 L201 | E167-P198 HydrophobicContact CG-CG 4.03Å; P198-G200 PolarHBondContact O-N 3.05Å; P198-L201 HydrophobicContact CB-CD1 4.45Å; P198-L201 HydrophobicContact CG-CD1 4.32Å; P198-L201 PolarHBondContact O-N 3.46Å; P198-L201 VanDerWaalsContact O-N 3.08Å |
| 199 | L | 86.6 | Confident | 86.6 | Confident | 152 Ų | 152 | 53.2 Ų | 53.2 | 80% | 0.796 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 129.7 | 178.5 | -69.5 | 172.3 | 0 | 0 | 0 | 110.9 | ||
| 200 | G | 86.5 | Confident | 88.2 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 62% | 0.619 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | -3.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P198 P212 | P198-G200 PolarHBondContact O-N 3.05Å; G200-P212 WeakPolarHBondContact O-CD 3.25Å |
| 201 | L | 90.6 | Very high | 89.1 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | trans | -105.1 | 150.1 | 172.4 | -57.4 | -172.9 | 0 | 0 | 0 | 111.3 | C197 P198 C209 V210 P211 | C197-L201 HydrophobicContact CB-CB 4.12Å; P198-L201 HydrophobicContact CB-CD1 4.45Å; P198-L201 HydrophobicContact CG-CD1 4.32Å; P198-L201 PolarHBondContact O-N 3.46Å; P198-L201 VanDerWaalsContact O-N 3.08Å; L201-C209 HydrophobicContact CB-CB 4.05Å; L201-C209 HydrophobicContact CD1-CB 3.9Å; L201-V210 WeakPolarHBondContact CA-O 3.37Å; L201-P211 HydrophobicContact CD2-CB 4.43Å; L201-P211 HydrophobicContact CD2-CG 4.04Å | ||
| 202 | L | 89.1 | Confident | 89.2 | Confident | 31 Ų | 31 | 51.9 Ų | 51.9 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 147 | 178.6 | -57.3 | -175.4 | 0 | 0 | 0 | 110 | Q177 D204 C209 V210 P212 C215 | Q177-L202 HydrophobicContact CB-CD2 3.53Å; Q177-L202 CarbonylContact O-C 3.57Å; Q177-L202 WeakPolarHBondContact O-CA 3.48Å; L202-D204 PolarHBondContact O-N 3.23Å; L202-C209 WeakPolarHBondContact O-CA 3Å; L202-V210 PolarHBondContact N-O 2.97Å; L202-V210 PolarHBondContact O-N 2.65Å; L202-P212 HydrophobicContact CD1-CB 3.92Å; L202-P212 HydrophobicContact CD1-CG 3.99Å; L202-P212 HydrophobicContact CG-CG 4.1Å; L202-C215 VanDerWaalsContact CD1-SG 3.56Å |
| 203 | W | 89.4 | Confident | 89.3 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 29% | 0.292 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116 | 176.6 | -166.6 | -56.8 | 0 | 0 | 0 | 109.7 | Q166 Q177 H178 C179 G207 | Q166-W203 HydrophobicContact CG-CE3 4.46Å; Q166-W203 HydrophobicContact CG-CZ3 4.17Å; Q177-W203 PolarHBondContact O-N 3.09Å; H178-W203 AromaticContact ND1-CG 3.76Å; C179-W203 PolarHBondContact N-O 3.32Å; W203-G207 VanDerWaalsContact NE1-CA 3.33Å |
| 204 | D | 88.8 | Confident | 89.3 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 11% | 0.107 | 34% | 0.335 | C | S | . | . | trans | -79.1 | 163.5 | 176.6 | 78.8 | 5 | 0 | 0 | 0 | 112.6 | L202 E206 G207 Q208 V210 | L202-D204 PolarHBondContact O-N 3.23Å; D204-E206 PolarHBondContact O-N 3.06Å; D204-E206 VanDerWaalsContact OD1-C 3.29Å; D204-E206 WeakPolarHBondContact OD1-CA 3.26Å; D204-E206 WeakPolarHBondContact OD1-CB 3.44Å; D204-E206 PolarHBondContact OD1-N 3.21Å; D204-G207 PolarHBondContact O-N 2.66Å; D204-G207 VanDerWaalsContact O-N 3.07Å; D204-G207 PolarHBondContact OD1-N 2.55Å; D204-Q208 PolarHBondContact N-O 3.38Å; D204-Q208 PolarHBondContact OD1-N 3.14Å; D204-Q208 WeakPolarHBondContact OD2-CB 3.45Å; D204-V210 HydrophobicContact CB-CG1 4.44Å; D204-V210 HydrophobicContact CB-CG2 3.94Å | ||
| 205 | P | 85.4 | Confident | 89.2 | Confident | 59 Ų | 59 | 56.2 Ų | 56.2 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -16.1 | 179.6 | -23.7 | 34.2 | 0 | 0 | 0 | 115.3 | P216 R223 | P205-P216 HydrophobicContact CG-CG 3.82Å; P205-R223 VanDerWaalsContact CB-NH1 3.28Å |
| 206 | E | 86.4 | Confident | 89 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 60% | 0.603 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -4.8 | -178.9 | -67.3 | 67 | -143.8 | 0 | 0 | 113.2 | D204 | D204-E206 PolarHBondContact O-N 3.06Å; D204-E206 VanDerWaalsContact OD1-C 3.29Å; D204-E206 WeakPolarHBondContact OD1-CA 3.26Å; D204-E206 WeakPolarHBondContact OD1-CB 3.44Å; D204-E206 PolarHBondContact OD1-N 3.21Å |
| 207 | G | 86.2 | Confident | 88.7 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 99.1 | 6.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | W203 D204 | W203-G207 VanDerWaalsContact NE1-CA 3.33Å; D204-G207 PolarHBondContact O-N 2.66Å; D204-G207 VanDerWaalsContact O-N 3.07Å; D204-G207 PolarHBondContact OD1-N 2.55Å |
| 208 | Q | 92.1 | Very high | 88.3 | Confident | 93 Ų | 93 | 64.1 Ų | 64.1 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | trans | -103 | 143 | -174.6 | -52.2 | -61.9 | -60.1 | 0 | 0 | 111.9 | D204 V210 | D204-Q208 PolarHBondContact N-O 3.38Å; D204-Q208 PolarHBondContact OD1-N 3.14Å; D204-Q208 WeakPolarHBondContact OD2-CB 3.45Å; Q208-V210 HydrophobicContact CB-CG1 4.2Å; Q208-V210 PolarHBondContact O-N 3.26Å | ||
| 209 | C | 92.5 | Very high | 87.8 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 14% | 0.135 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 111.5 | 170.1 | -62 | 0 | 0 | 0 | 0 | 110 | G164 Q166 C197 L201 L202 | G164-C209 PolarHBondContact O-N 2.94Å; Q166-C209 WeakPolarHBondContact CG-SG 3.44Å; C197-C209 WeakPolarHBondContact CA-SG 3.29Å; C197-C209 HydrophobicContact CB-CB 3.81Å; C197-C209 WeakPolarHBondContact CB-SG 3.44Å; C197-C209 WeakPolarHBondContact SG-CA 3.34Å; C197-C209 WeakPolarHBondContact SG-CB 3.5Å; C197-C209 CovalentContact SG-SG 2.04Å; C197-C209 PolarHBondContact SG-SG 2.72Å; L201-C209 HydrophobicContact CB-CB 4.05Å; L201-C209 HydrophobicContact CD1-CB 3.9Å; L202-C209 WeakPolarHBondContact O-CA 3Å |
| 210 | V | 92.8 | Very high | 87.4 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 12% | 0.121 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 152.5 | -178.3 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | L201 L202 D204 Q208 L214 | L201-V210 WeakPolarHBondContact CA-O 3.37Å; L202-V210 PolarHBondContact N-O 2.97Å; L202-V210 PolarHBondContact O-N 2.65Å; D204-V210 HydrophobicContact CB-CG1 4.44Å; D204-V210 HydrophobicContact CB-CG2 3.94Å; Q208-V210 HydrophobicContact CB-CG1 4.2Å; Q208-V210 PolarHBondContact O-N 3.26Å; V210-L214 HydrophobicContact CB-CB 4.11Å; V210-L214 HydrophobicContact CG2-CB 4.36Å |
| 211 | P | 91.9 | Very high | 87 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 34% | 0.344 | 38% | 0.384 | S | S | . | . | trans | -59 | 151.1 | 169.8 | -23.4 | 33.8 | 0 | 0 | 0 | 111.4 | L201 S213 L214 | L201-P211 HydrophobicContact CD2-CB 4.43Å; L201-P211 HydrophobicContact CD2-CG 4.04Å; P211-S213 PolarHBondContact O-N 2.63Å; P211-L214 PolarHBondContact O-N 3Å | ||
| 212 | P | 88.9 | Confident | 86.5 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -54.5 | -30.7 | 179.3 | -26.8 | 32.4 | 0 | 0 | 0 | 114.5 | G200 L202 L214 C215 | G200-P212 WeakPolarHBondContact O-CD 3.25Å; L202-P212 HydrophobicContact CD1-CB 3.92Å; L202-P212 HydrophobicContact CD1-CG 3.99Å; L202-P212 HydrophobicContact CG-CG 4.1Å; P212-L214 PolarHBondContact O-N 3.21Å; P212-C215 WeakPolarHBondContact O-CB 3.06Å; P212-C215 PolarHBondContact O-N 3.32Å |
| 213 | S | 88.3 | Confident | 86.2 | Confident | 98 Ų | 98 | 75.8 Ų | 75.8 | 69% | 0.685 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -67.1 | -19.9 | 176.5 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | P211 | P211-S213 PolarHBondContact O-N 2.63Š|
| 214 | L | 90.5 | Very high | 85.9 | Confident | 92 Ų | 92 | 74.8 Ų | 74.8 | 48% | 0.482 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -100.7 | 7.7 | 177.2 | -63 | -172 | 0 | 0 | 0 | 112.8 | V210 P211 P212 P226 | V210-L214 HydrophobicContact CB-CB 4.11Å; V210-L214 HydrophobicContact CG2-CB 4.36Å; P211-L214 PolarHBondContact O-N 3Å; P212-L214 PolarHBondContact O-N 3.21Å; L214-P226 HydrophobicContact CB-CG 4.3Å; L214-P226 HydrophobicContact CD2-CB 4.12Å; L214-P226 HydrophobicContact CD2-CG 4.38Å; L214-P226 WeakPolarHBondContact O-CG 3.31Å |
| 215 | C | 88.6 | Confident | 85.6 | Confident | 18 Ų | 18 | 77 Ų | 77 | 12% | 0.122 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -69.4 | 134.5 | 171.5 | -77.9 | 0 | 0 | 0 | 0 | 111.1 | C179 L202 P212 C217 | C179-C215 WeakPolarHBondContact CA-SG 3.26Å; C179-C215 HydrophobicContact CB-CB 3.58Å; C179-C215 WeakPolarHBondContact CB-SG 3.34Å; C179-C215 WeakPolarHBondContact SG-CA 3.34Å; C179-C215 WeakPolarHBondContact SG-CB 3.28Å; C179-C215 CovalentContact SG-SG 2.04Å; C179-C215 PolarHBondContact SG-SG 3.36Å; L202-C215 VanDerWaalsContact CD1-SG 3.56Å; P212-C215 WeakPolarHBondContact O-CB 3.06Å; P212-C215 PolarHBondContact O-N 3.32Å; C215-C217 PolarHBondContact O-N 2.97Å |
| 216 | P | 86.3 | Confident | 85.5 | Confident | 33 Ų | 33 | 76.8 Ų | 76.8 | 21% | 0.214 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -66 | 134.9 | 173.9 | 25.8 | -31.8 | 0 | 0 | 0 | 110.5 | P205 Y224 | P205-P216 HydrophobicContact CG-CG 3.82Å; P216-Y224 CarbonylContact C-O 3.47Å; P216-Y224 VanDerWaalsContact CA-O 3.22Å; P216-Y224 WeakPolarHBondContact CA-O 3.39Å; P216-Y224 WeakPolarHBondContact CB-O 3.44Å |
| 217 | C | 82.8 | Confident | 85.2 | Confident | 81 Ų | 81 | 74.9 Ų | 74.9 | 55% | 0.547 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 144.6 | 176.2 | -66.9 | 0 | 0 | 0 | 0 | 110.1 | C215 R223 Y224 | C215-C217 PolarHBondContact O-N 2.97Å; C217-R223 CarbonylContact O-C 3.45Å; C217-R223 WeakPolarHBondContact O-CA 3.47Å; C217-Y224 PolarHBondContact N-O 3.11Å; C217-Y224 WeakPolarHBondContact O-CB 3.47Å; C217-Y224 PolarHBondContact O-N 3.02Å |
| 218 | Q | 80.6 | Confident | 84.9 | Confident | 134 Ų | 134 | 76.9 Ų | 76.9 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.3 | 173.5 | -172.6 | 169.3 | -5.9 | 0 | 0 | 110.4 | G220 R222 | Q218-G220 WeakPolarHBondContact CG-O 3.11Å; Q218-G220 PolarHBondContact NE2-O 2.94Å; Q218-G220 VanDerWaalsContact NE2-O 3.13Å; Q218-R222 WeakPolarHBondContact CA-O 3.41Å |
| 219 | L | 79.1 | Confident | 84.2 | Confident | 65 Ų | 65 | 77.3 Ų | 77.3 | 34% | 0.34 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 106.9 | 172.3 | -179.6 | 66.3 | 0 | 0 | 0 | 109.1 | A221 R222 Y224 T230 K232 | L219-A221 PolarHBondContact O-N 2.96Å; L219-R222 PolarHBondContact N-O 2.89Å; L219-R222 PolarHBondContact O-N 3.36Å; L219-Y224 HydrophobicContact CB-CD2 4.08Å; L219-Y224 HydrophobicContact CB-CE2 3.74Å; L219-T230 WeakPolarHBondContact CD2-OG1 3.44Å; L219-K232 HydrophobicContact CD2-CG 4.43Å |
| 220 | G | 78.4 | Confident | 83.2 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 67% | 0.67 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | -127.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q218 | Q218-G220 WeakPolarHBondContact CG-O 3.11Å; Q218-G220 PolarHBondContact NE2-O 2.94Å; Q218-G220 VanDerWaalsContact NE2-O 3.13Å |
| 221 | A | 78 | Confident | 82 | Confident | 103 Ų | 103 | 87.2 Ų | 87.2 | 85% | 0.851 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L219 | L219-A221 PolarHBondContact O-N 2.96Š|
| 222 | R | 80.3 | Confident | 80.7 | Confident | 176 Ų | 176 | 90.9 Ų | 90.9 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.1 | -175.7 | -73 | -178 | 177.9 | 173.2 | -0.5 | 111.6 | Q218 L219 Y224 | Q218-R222 WeakPolarHBondContact CA-O 3.41Å; L219-R222 PolarHBondContact N-O 2.89Å; L219-R222 PolarHBondContact O-N 3.36Å; R222-Y224 HydrophobicContact CB-CD2 4.33Å; R222-Y224 HydrophobicContact CB-CE2 3.48Å; R222-Y224 VanDerWaalsContact CB-CE2 3.48Å; R222-Y224 WeakPolarHBondContact O-CD2 3.18Å |
| 223 | R | 82.5 | Confident | 79.3 | Confident | 159 Ų | 159 | 96.7 Ų | 96.7 | 60% | 0.6 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 144 | 172.1 | -66.5 | -178.3 | -177.7 | 172.1 | -0.4 | 109.9 | P205 C217 | P205-R223 VanDerWaalsContact CB-NH1 3.28Å; C217-R223 CarbonylContact O-C 3.45Å; C217-R223 WeakPolarHBondContact O-CA 3.47Å |
| 224 | Y | 83.1 | Confident | 78.1 | Confident | 56 Ų | 56 | 96.7 Ų | 96.7 | 22% | 0.22 | 57% | 0.566 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.6 | 128.2 | -169.4 | -75.1 | -78.4 | 0 | 0 | 0 | 108.5 | P216 C217 L219 R222 S228 T230 | P216-Y224 CarbonylContact C-O 3.47Å; P216-Y224 VanDerWaalsContact CA-O 3.22Å; P216-Y224 WeakPolarHBondContact CA-O 3.39Å; P216-Y224 WeakPolarHBondContact CB-O 3.44Å; C217-Y224 PolarHBondContact N-O 3.11Å; C217-Y224 WeakPolarHBondContact O-CB 3.47Å; C217-Y224 PolarHBondContact O-N 3.02Å; L219-Y224 HydrophobicContact CB-CD2 4.08Å; L219-Y224 HydrophobicContact CB-CE2 3.74Å; R222-Y224 HydrophobicContact CB-CD2 4.33Å; R222-Y224 HydrophobicContact CB-CE2 3.48Å; R222-Y224 VanDerWaalsContact CB-CE2 3.48Å; R222-Y224 WeakPolarHBondContact O-CD2 3.18Å; Y224-S228 VanDerWaalsContact CB-OG 3.3Å; Y224-S228 WeakPolarHBondContact CB-OG 3.43Å; Y224-T230 HydrophobicContact CD1-CG2 3.46Å; Y224-T230 VanDerWaalsContact CD1-CG2 3.46Å; Y224-T230 HydrophobicContact CD2-CG2 4.33Å; Y224-T230 HydrophobicContact CE1-CG2 3.15Å; Y224-T230 HydrophobicContact CE2-CG2 4.09Å; Y224-T230 HydrophobicContact CG-CG2 4.04Å; Y224-T230 VanDerWaalsContact CZ-CG2 3.49Å |
| 225 | A | 83.4 | Confident | 76.4 | Confident | 66 Ų | 66 | 99 Ų | 99 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | trans | -62.1 | 153.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | G227 S228 | A225-G227 PolarHBondContact O-N 3.43Å; A225-S228 PolarHBondContact N-OG 2.86Å; A225-S228 VanDerWaalsContact O-CB 3.31Å; A225-S228 WeakPolarHBondContact O-CB 3.35Å; A225-S228 PolarHBondContact O-N 3.37Å; A225-S228 PolarHBondContact O-OG 3.08Å | ||
| 226 | P | 82.3 | Confident | 74.4 | Confident | 56 Ų | 56 | 109.8 Ų | 109.8 | 36% | 0.364 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.9 | 133.8 | 173.9 | -27.6 | 36.4 | 0 | 0 | 0 | 111.9 | L214 S228 | L214-P226 HydrophobicContact CB-CG 4.3Å; L214-P226 HydrophobicContact CD2-CB 4.12Å; L214-P226 HydrophobicContact CD2-CG 4.38Å; L214-P226 WeakPolarHBondContact O-CG 3.31Å; P226-S228 VanDerWaalsContact C-N 3.27Å; P226-S228 PolarHBondContact O-N 3.27Å |
| 227 | G | 80.1 | Confident | 72.3 | Confident | 88 Ų | 88 | 123 Ų | 123 | 91% | 0.907 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.9 | -1.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A225 | A225-G227 PolarHBondContact O-N 3.43Š|
| 228 | S | 80.9 | Confident | 71.7 | Confident | 59 Ų | 59 | 125.1 Ų | 125.1 | 41% | 0.413 | 67% | 0.668 | S | S | . | * | trans | -72.7 | 144.2 | 174.2 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | Y224 A225 P226 | Y224-S228 VanDerWaalsContact CB-OG 3.3Å; Y224-S228 WeakPolarHBondContact CB-OG 3.43Å; A225-S228 PolarHBondContact N-OG 2.86Å; A225-S228 VanDerWaalsContact O-CB 3.31Å; A225-S228 WeakPolarHBondContact O-CB 3.35Å; A225-S228 PolarHBondContact O-N 3.37Å; A225-S228 PolarHBondContact O-OG 3.08Å; P226-S228 VanDerWaalsContact C-N 3.27Å; P226-S228 PolarHBondContact O-N 3.27Å | ||
| 229 | A | 77.4 | Confident | 71.3 | Confident | 103 Ų | 103 | 124.6 Ų | 124.6 | 85% | 0.851 | 67% | 0.67 | S | S | * | * | trans | -111.9 | 137.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 230 | T | 70.9 | Confident | 70.8 | Confident | 58 Ų | 58 | 127.9 Ų | 127.9 | 36% | 0.356 | 69% | 0.689 | S | S | . | * | trans | -125 | 130.7 | 175.9 | 70.3 | 0 | 0 | 0 | 0 | 109.6 | L219 Y224 K232 | L219-T230 WeakPolarHBondContact CD2-OG1 3.44Å; Y224-T230 HydrophobicContact CD1-CG2 3.46Å; Y224-T230 VanDerWaalsContact CD1-CG2 3.46Å; Y224-T230 HydrophobicContact CD2-CG2 4.33Å; Y224-T230 HydrophobicContact CE1-CG2 3.15Å; Y224-T230 HydrophobicContact CE2-CG2 4.09Å; Y224-T230 HydrophobicContact CG-CG2 4.04Å; Y224-T230 VanDerWaalsContact CZ-CG2 3.49Å; T230-K232 PolarHBondContact O-N 3.05Å | ||
| 231 | M | 68.1 | Low | 70.4 | Confident | 190 Ų | 190 | 131.6 Ų | 131.6 | 94% | 0.936 | 69% | 0.69 | S | S | * | * | trans | -74.5 | 114.5 | 168.6 | -74.2 | -175.4 | -73.1 | 0 | 0 | 109 | ||||
| 232 | K | 63.4 | Low | 69.9 | Low | 129 Ų | 129 | 133.4 Ų | 133.4 | 56% | 0.561 | 68% | 0.68 | S | S | * | * | trans | -77.5 | 134.7 | 156.1 | -82.7 | -176.7 | 173.8 | 179 | 0 | 107.2 | L219 T230 C234 N235 | L219-K232 HydrophobicContact CD2-CG 4.43Å; T230-K232 PolarHBondContact O-N 3.05Å; K232-C234 PolarHBondContact O-N 3.2Å; K232-N235 PolarHBondContact O-N 3.31Å | ||
| 233 | E | 60.9 | Low | 69.2 | Low | 201 Ų | 201 | 130.6 Ų | 130.6 | 94% | 0.939 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 26.4 | -180 | -66 | -175.9 | 151.6 | 0 | 0 | 114.6 | ||
| 234 | C | 61.9 | Low | 68.3 | Low | 99 Ų | 99 | 128.6 Ų | 128.6 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 2.1 | 179 | -55.9 | 0 | 0 | 0 | 0 | 113.9 | K232 | K232-C234 PolarHBondContact O-N 3.2Š|
| 235 | N | 56 | Low | 67.1 | Low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -107.4 | 27.9 | 179.5 | -70.6 | -0.9 | 0 | 0 | 0 | 113.7 | K232 W237 | K232-N235 PolarHBondContact O-N 3.31Å; N235-W237 PolarHBondContact O-N 3.43Å | ||
| 236 | R | 45 | Very low | 65.8 | Low | 244 Ų | 244 | 139.8 Ų | 139.8 | 92% | 0.921 | 74% | 0.737 | S | S | * | * | trans | -91.4 | 94.3 | 161.4 | -80.2 | -172.6 | 175.2 | -175.3 | -0.3 | 107.8 | ||||
| 237 | W | 42.3 | Very low | 64.3 | Low | 310 Ų | 310 | 147.5 Ų | 147.5 | 100% | 1.174 | 77% | 0.771 | S | S | * | * | trans | -96.8 | 0 | 162.9 | -71.3 | 51.6 | 0 | 0 | 0 | 107.4 | N235 | N235-W237 PolarHBondContact O-N 3.43Š|
Retrieved 237 of 237 residues in 49.1 ms
(Link to these results)