| 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 | 45.3 | Very low | 57.5 | Low | 244 Ų | 244 | 148.7 Ų | 148.7 | 100% | 1.202 | 81% | 0.812 | S | S | * | * | 0 | 113.4 | 0 | -75.3 | -177.4 | 168.4 | 0 | 0 | 106.8 | |||||
| 2 | A | 51.2 | Low | 58.1 | Low | 96 Ų | 96 | 149.3 Ų | 149.3 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | 30 | 101.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 3 | E | 61.8 | Low | 58.1 | Low | 190 Ų | 190 | 155.8 Ų | 155.8 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | 40.5 | 86.3 | 60.4 | -74.7 | -172.5 | 123.1 | 0 | 0 | 114.1 | |||||
| 4 | S | 53.3 | Low | 59 | Low | 123 Ų | 123 | 158.9 Ų | 158.9 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | 171.5 | 89.1 | 136.3 | -76.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 5 | D | 58.3 | Low | 59.8 | Low | 132 Ų | 132 | 161.6 Ų | 161.6 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | -145.5 | 30.8 | 164.9 | -136.6 | -11 | 0 | 0 | 0 | 112 | ||||
| 6 | W | 57.8 | Low | 60.8 | Low | 255 Ų | 255 | 154.9 Ų | 154.9 | 97% | 0.966 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -98.2 | 6.1 | -177.8 | -83.8 | 88.2 | 0 | 0 | 0 | 114.2 | ||
| 7 | D | 57.9 | Low | 61.7 | Low | 154 Ų | 154 | 151.5 Ų | 151.5 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -116.4 | 13.5 | -177.9 | -105.6 | -25.3 | 0 | 0 | 0 | 114.5 | V9 | D7-V9 VanDerWaalsContact C-N 3.27Å; D7-V9 PolarHBondContact O-N 3.29Å | ||
| 8 | T | 60.9 | Low | 62.9 | Low | 101 Ų | 101 | 147.3 Ų | 147.3 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | -83.7 | 73 | 171.4 | 22.9 | 0 | 0 | 0 | 0 | 110.4 | T10 | T8-T10 PolarHBondContact O-N 3.25Å; T8-T10 PolarHBondContact O-OG1 3Å | ||
| 9 | V | 60.3 | Low | 63.7 | Low | 118 Ų | 118 | 143.3 Ų | 143.3 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | trans | -55.4 | 104.2 | 166.9 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | D7 V11 | D7-V9 VanDerWaalsContact C-N 3.27Å; D7-V9 PolarHBondContact O-N 3.29Å; V9-V11 HydrophobicContact CG1-CG2 4.27Å; V9-V11 PolarHBondContact O-N 3.39Å | ||
| 10 | T | 62.3 | Low | 64.4 | Low | 116 Ų | 116 | 140.2 Ų | 140.2 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | trans | -70.8 | 92.9 | 177.8 | -29.1 | 0 | 0 | 0 | 0 | 108 | T8 L12 | T8-T10 PolarHBondContact O-N 3.25Å; T8-T10 PolarHBondContact O-OG1 3Å; T10-L12 HydrophobicContact CG2-CD1 4.06Å; T10-L12 PolarHBondContact O-N 3.43Å | ||
| 11 | V | 63.4 | Low | 65.1 | Low | 107 Ų | 107 | 138.7 Ų | 138.7 | 65% | 0.648 | 75% | 0.752 | S | S | * | * | trans | -71.1 | 93.5 | 178.4 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | V9 R13 | V9-V11 HydrophobicContact CG1-CG2 4.27Å; V9-V11 PolarHBondContact O-N 3.39Å; V11-R13 PolarHBondContact O-N 2.91Å; V11-R13 VanDerWaalsContact O-N 3.16Å | ||
| 12 | L | 64.8 | Low | 66.7 | Low | 155 Ų | 155 | 129.5 Ų | 129.5 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -66.2 | -11.2 | -176.7 | -110.2 | 70.5 | 0 | 0 | 0 | 114.9 | T10 | T10-L12 HydrophobicContact CG2-CD1 4.06Å; T10-L12 PolarHBondContact O-N 3.43Å |
| 13 | R | 58 | Low | 68.2 | Low | 235 Ų | 235 | 132.8 Ų | 132.8 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | trans | -158.7 | 109.1 | 173.6 | -115.4 | -179.3 | -100 | -176.6 | -5.7 | 111.6 | V11 K15 | V11-R13 PolarHBondContact O-N 2.91Å; V11-R13 VanDerWaalsContact O-N 3.16Å; R13-K15 PolarHBondContact O-N 2.88Å | ||
| 14 | K | 70.4 | Confident | 69.3 | Low | 199 Ų | 199 | 125.7 Ų | 125.7 | 87% | 0.865 | 68% | 0.682 | S | S | * | * | trans | -78.6 | 111.5 | 167.5 | -168.4 | 170.9 | -176.7 | 175.7 | 0 | 108.4 | G16 | K14-G16 PolarHBondContact O-N 3.5Š| ||
| 15 | K | 72.1 | Confident | 70.9 | Confident | 199 Ų | 199 | 128.4 Ų | 128.4 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 129 | 175.8 | -167.7 | 168.1 | -177.3 | 172.3 | 0 | 108.9 | R13 | R13-K15 PolarHBondContact O-N 2.88Š|
| 16 | G | 74.9 | Confident | 72.3 | Confident | 54 Ų | 54 | 130.1 Ų | 130.1 | 56% | 0.557 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 156.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K14 | K14-G16 PolarHBondContact O-N 3.5Š|
| 17 | P | 77.1 | Confident | 73.7 | Confident | 97 Ų | 97 | 119.5 Ų | 119.5 | 63% | 0.63 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 141.7 | 179.7 | 25.1 | -32.8 | 0 | 0 | 0 | 111 | Q21 | P17-Q21 HydrophobicContact CB-CB 4.06Š|
| 18 | T | 83.1 | Confident | 75.1 | Confident | 77 Ų | 77 | 115.4 Ų | 115.4 | 47% | 0.472 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 159.2 | 173.1 | 61.2 | 0 | 0 | 0 | 0 | 111.1 | A20 Q21 A22 | T18-A20 PolarHBondContact O-N 3.27Å; T18-A20 VanDerWaalsContact O-N 3.11Å; T18-Q21 WeakPolarHBondContact O-CA 3.44Å; T18-Q21 WeakPolarHBondContact O-CB 3.44Å; T18-Q21 PolarHBondContact O-N 3Å; T18-Q21 VanDerWaalsContact OG1-CD 3.23Å; T18-Q21 VanDerWaalsContact OG1-CG 3.29Å; T18-Q21 WeakPolarHBondContact OG1-CG 3.49Å; T18-Q21 PolarHBondContact OG1-OE1 2.99Å; T18-A22 PolarHBondContact O-N 3.45Å |
| 19 | A | 77.8 | Confident | 76.5 | Confident | 70 Ų | 70 | 112.8 Ų | 112.8 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -55.8 | -32.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K23 | A19-K23 WeakPolarHBondContact O-CB 3.29Å; A19-K23 VanDerWaalsContact O-CG 3.27Å; A19-K23 WeakPolarHBondContact O-CG 3.45Å; A19-K23 PolarHBondContact O-N 3.2Å |
| 20 | A | 78.5 | Confident | 77.9 | Confident | 81 Ų | 81 | 108.7 Ų | 108.7 | 67% | 0.669 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.4 | -37.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T18 S24 | T18-A20 PolarHBondContact O-N 3.27Å; T18-A20 VanDerWaalsContact O-N 3.11Å; A20-S24 PolarHBondContact O-N 3.19Å |
| 21 | Q | 78.6 | Confident | 79.1 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.6 | -40.9 | 177.1 | -70.9 | 165.9 | -40.6 | 0 | 0 | 111.5 | P17 T18 K23 S24 A27 | P17-Q21 HydrophobicContact CB-CB 4.06Å; T18-Q21 WeakPolarHBondContact O-CA 3.44Å; T18-Q21 WeakPolarHBondContact O-CB 3.44Å; T18-Q21 PolarHBondContact O-N 3Å; T18-Q21 VanDerWaalsContact OG1-CD 3.23Å; T18-Q21 VanDerWaalsContact OG1-CG 3.29Å; T18-Q21 WeakPolarHBondContact OG1-CG 3.49Å; T18-Q21 PolarHBondContact OG1-OE1 2.99Å; Q21-K23 VanDerWaalsContact C-N 3.31Å; Q21-K23 PolarHBondContact O-N 3.39Å; Q21-S24 VanDerWaalsContact O-CB 3.26Å; Q21-S24 WeakPolarHBondContact O-CB 3.33Å; Q21-S24 PolarHBondContact O-N 3.28Å; Q21-S24 PolarHBondContact O-OG 3.47Å; Q21-A27 VanDerWaalsContact O-CB 3.31Å; Q21-A27 WeakPolarHBondContact O-CB 3.48Å |
| 22 | A | 77.8 | Confident | 80.4 | Confident | 51 Ų | 51 | 104.3 Ų | 104.3 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -34.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | T18 S24 | T18-A22 PolarHBondContact O-N 3.45Å; A22-S24 VanDerWaalsContact C-N 3.3Å; A22-S24 PolarHBondContact O-N 3.26Å |
| 23 | K | 82.5 | Confident | 81.7 | Confident | 165 Ų | 165 | 107 Ų | 107 | 72% | 0.717 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 4.3 | 177.1 | -66.1 | 175.4 | -176 | -176.8 | 0 | 113.8 | A19 Q21 I28 | A19-K23 WeakPolarHBondContact O-CB 3.29Å; A19-K23 VanDerWaalsContact O-CG 3.27Å; A19-K23 WeakPolarHBondContact O-CG 3.45Å; A19-K23 PolarHBondContact O-N 3.2Å; Q21-K23 VanDerWaalsContact C-N 3.31Å; Q21-K23 PolarHBondContact O-N 3.39Å; K23-I28 WeakPolarHBondContact O-CD1 3.35Å |
| 24 | S | 86.6 | Confident | 83.2 | Confident | 41 Ų | 41 | 103.2 Ų | 103.2 | 29% | 0.287 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -69.1 | 149.2 | 179.8 | 72.3 | 0 | 0 | 0 | 0 | 111.2 | A20 Q21 A22 Q26 A27 I28 | A20-S24 PolarHBondContact O-N 3.19Å; Q21-S24 VanDerWaalsContact O-CB 3.26Å; Q21-S24 WeakPolarHBondContact O-CB 3.33Å; Q21-S24 PolarHBondContact O-N 3.28Å; Q21-S24 PolarHBondContact O-OG 3.47Å; A22-S24 VanDerWaalsContact C-N 3.3Å; A22-S24 PolarHBondContact O-N 3.26Å; S24-Q26 PolarHBondContact O-N 3.17Å; S24-A27 PolarHBondContact O-N 3.35Å; S24-A27 VanDerWaalsContact O-N 3.1Å; S24-A27 VanDerWaalsContact OG-CB 3.24Å; S24-A27 WeakPolarHBondContact OG-CB 3.46Å; S24-A27 PolarHBondContact OG-N 3.05Å; S24-I28 WeakPolarHBondContact O-CG1 3.2Å; S24-I28 PolarHBondContact O-N 3.28Å |
| 25 | K | 86.8 | Confident | 84 | Confident | 179 Ų | 179 | 96.9 Ų | 96.9 | 78% | 0.778 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56.1 | -39.6 | 179.1 | -172.1 | 176.6 | -179.5 | -178.2 | 0 | 111.8 | T29 | K25-T29 WeakPolarHBondContact O-CB 3.46Å; K25-T29 PolarHBondContact O-N 3.39Å; K25-T29 PolarHBondContact O-OG1 3.49Å |
| 26 | Q | 87.8 | Confident | 84.9 | Confident | 168 Ų | 168 | 91.9 Ų | 91.9 | 79% | 0.785 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | 178 | -69 | 175.2 | -11.4 | 0 | 0 | 111.8 | S24 T29 A30 | S24-Q26 PolarHBondContact O-N 3.17Å; Q26-T29 PolarHBondContact O-N 3.36Å; Q26-A30 WeakPolarHBondContact O-CB 3.34Å; Q26-A30 PolarHBondContact O-N 2.98Å |
| 27 | A | 85.8 | Confident | 85.3 | Confident | 33 Ų | 33 | 97.3 Ų | 97.3 | 27% | 0.273 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q21 S24 A30 A31 | Q21-A27 VanDerWaalsContact O-CB 3.31Å; Q21-A27 WeakPolarHBondContact O-CB 3.48Å; S24-A27 PolarHBondContact O-N 3.35Å; S24-A27 VanDerWaalsContact O-N 3.1Å; S24-A27 VanDerWaalsContact OG-CB 3.24Å; S24-A27 WeakPolarHBondContact OG-CB 3.46Å; S24-A27 PolarHBondContact OG-N 3.05Å; A27-A30 PolarHBondContact O-N 3.02Å; A27-A31 WeakPolarHBondContact O-CB 3.39Å; A27-A31 PolarHBondContact O-N 2.74Å |
| 28 | I | 88 | Confident | 85.7 | Confident | 68 Ų | 68 | 96.2 Ų | 96.2 | 35% | 0.349 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 177.7 | -63.4 | 166.8 | 0 | 0 | 0 | 110.6 | K23 S24 A30 A31 Q32 | K23-I28 WeakPolarHBondContact O-CD1 3.35Å; S24-I28 WeakPolarHBondContact O-CG1 3.2Å; S24-I28 PolarHBondContact O-N 3.28Å; I28-A30 VanDerWaalsContact C-N 3.32Å; I28-A30 PolarHBondContact O-N 3.25Å; I28-A31 PolarHBondContact O-N 2.83Å; I28-Q32 WeakPolarHBondContact O-CG 3.39Å; I28-Q32 PolarHBondContact O-N 3.46Å |
| 29 | T | 90.9 | Very high | 86 | Confident | 46 Ų | 46 | 102 Ų | 102 | 28% | 0.282 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 178.5 | -60 | 0 | 0 | 0 | 0 | 112.4 | K25 Q26 R33 | K25-T29 WeakPolarHBondContact O-CB 3.46Å; K25-T29 PolarHBondContact O-N 3.39Å; K25-T29 PolarHBondContact O-OG1 3.49Å; Q26-T29 PolarHBondContact O-N 3.36Å; T29-R33 WeakPolarHBondContact O-CG 3.39Å; T29-R33 PolarHBondContact O-N 2.88Å |
| 30 | A | 89.4 | Confident | 86.6 | Confident | 31 Ų | 31 | 104.8 Ų | 104.8 | 26% | 0.256 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q26 A27 I28 R33 R34 | Q26-A30 WeakPolarHBondContact O-CB 3.34Å; Q26-A30 PolarHBondContact O-N 2.98Å; A27-A30 PolarHBondContact O-N 3.02Å; I28-A30 VanDerWaalsContact C-N 3.32Å; I28-A30 PolarHBondContact O-N 3.25Å; A30-R33 PolarHBondContact O-N 3.14Å; A30-R34 WeakPolarHBondContact O-CG 3.34Å; A30-R34 PolarHBondContact O-N 3.09Å; A30-R34 VanDerWaalsContact O-N 3.1Å |
| 31 | A | 87.8 | Confident | 87.2 | Confident | 9 Ų | 9 | 107.1 Ų | 107.1 | 7% | 0.074 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -61.6 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A27 I28 R33 R34 G35 E36 L38 | A27-A31 WeakPolarHBondContact O-CB 3.39Å; A27-A31 PolarHBondContact O-N 2.74Å; I28-A31 PolarHBondContact O-N 2.83Å; A31-R33 VanDerWaalsContact C-N 3.31Å; A31-R33 PolarHBondContact O-N 3.44Å; A31-R34 PolarHBondContact O-N 3.32Å; A31-G35 PolarHBondContact O-N 3.4Å; A31-G35 VanDerWaalsContact O-N 3.16Å; A31-E36 HydrophobicContact CB-CB 4.15Å; A31-E36 WeakPolarHBondContact CB-OE2 3.27Å; A31-E36 PolarHBondContact O-N 3.43Å; A31-E36 VanDerWaalsContact O-N 3.08Å; A31-L38 HydrophobicContact CB-CD2 3.83Å |
| 32 | Q | 90.4 | Very high | 87.8 | Confident | 122 Ų | 122 | 110.6 Ų | 110.6 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -56.4 | -42.3 | 173.2 | -75.9 | 179.7 | -29.9 | 0 | 0 | 112.8 | I28 G35 L38 | I28-Q32 WeakPolarHBondContact O-CG 3.39Å; I28-Q32 PolarHBondContact O-N 3.46Å; Q32-G35 PolarHBondContact O-N 2.98Å; Q32-L38 HydrophobicContact CB-CD1 4.31Å; Q32-L38 HydrophobicContact CG-CD1 3.23Å |
| 33 | R | 91.7 | Very high | 88.5 | Confident | 213 Ų | 213 | 116.5 Ų | 116.5 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.4 | -30.8 | -179.9 | -72 | 174.2 | -177.6 | 176.4 | -0.5 | 113.1 | T29 A30 A31 G35 | T29-R33 WeakPolarHBondContact O-CG 3.39Å; T29-R33 PolarHBondContact O-N 2.88Å; A30-R33 PolarHBondContact O-N 3.14Å; A31-R33 VanDerWaalsContact C-N 3.31Å; A31-R33 PolarHBondContact O-N 3.44Å; R33-G35 VanDerWaalsContact C-N 3.29Å |
| 34 | R | 90.4 | Very high | 88.6 | Confident | 155 Ų | 155 | 120.5 Ų | 120.5 | 59% | 0.585 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -83.3 | -5.2 | 178.1 | -68.2 | -168.8 | -58 | -103 | -6 | 113.1 | A30 A31 E36 | A30-R34 WeakPolarHBondContact O-CG 3.34Å; A30-R34 PolarHBondContact O-N 3.09Å; A30-R34 VanDerWaalsContact O-N 3.1Å; A31-R34 PolarHBondContact O-N 3.32Å; R34-E36 VanDerWaalsContact C-N 3.26Å; R34-E36 HydrophobicContact CB-CG 4.06Å; R34-E36 IonicContact CZ-OE1 3.36Å; R34-E36 IonicContact CZ-OE2 3.63Å; R34-E36 IonicContact NE-OE1 2.73Å; R34-E36 PolarHBondContact NE-OE1 2.9Å; R34-E36 IonicContact NE-OE2 3.57Å; R34-E36 IonicContact NH2-OE1 3.18Å; R34-E36 PolarHBondContact NH2-OE1 3.36Å; R34-E36 IonicContact NH2-OE2 2.81Å; R34-E36 PolarHBondContact NH2-OE2 3.27Å; R34-E36 PolarHBondContact O-N 3.25Å |
| 35 | G | 87.1 | Confident | 88.7 | Confident | 65 Ų | 65 | 121.7 Ų | 121.7 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.2 | 24.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A31 Q32 R33 | A31-G35 PolarHBondContact O-N 3.4Å; A31-G35 VanDerWaalsContact O-N 3.16Å; Q32-G35 PolarHBondContact O-N 2.98Å; R33-G35 VanDerWaalsContact C-N 3.29Å |
| 36 | E | 89.4 | Confident | 88.8 | Confident | 94 Ų | 94 | 115.2 Ų | 115.2 | 44% | 0.439 | 58% | 0.581 | S | S | . | * | trans | -75.2 | 149.4 | 175.5 | -69.1 | 170.7 | -177.6 | 0 | 0 | 110.6 | A31 R34 | A31-E36 HydrophobicContact CB-CB 4.15Å; A31-E36 WeakPolarHBondContact CB-OE2 3.27Å; A31-E36 PolarHBondContact O-N 3.43Å; A31-E36 VanDerWaalsContact O-N 3.08Å; R34-E36 VanDerWaalsContact C-N 3.26Å; R34-E36 HydrophobicContact CB-CG 4.06Å; R34-E36 IonicContact CZ-OE1 3.36Å; R34-E36 IonicContact CZ-OE2 3.63Å; R34-E36 IonicContact NE-OE1 2.73Å; R34-E36 PolarHBondContact NE-OE1 2.9Å; R34-E36 IonicContact NE-OE2 3.57Å; R34-E36 IonicContact NH2-OE1 3.18Å; R34-E36 PolarHBondContact NH2-OE1 3.36Å; R34-E36 IonicContact NH2-OE2 2.81Å; R34-E36 PolarHBondContact NH2-OE2 3.27Å; R34-E36 PolarHBondContact O-N 3.25Å | ||
| 37 | D | 83.6 | Confident | 88.9 | Confident | 168 Ų | 168 | 111.6 Ų | 111.6 | 90% | 0.898 | 59% | 0.589 | S | S | * | * | trans | -65.2 | 135.4 | 178 | -69 | -40.6 | 0 | 0 | 0 | 112 | ||||
| 38 | L | 86.7 | Confident | 89.2 | Confident | 75 Ų | 75 | 116.8 Ų | 116.8 | 39% | 0.393 | 61% | 0.608 | S | S | . | * | trans | -121.6 | 117.6 | -178.6 | -69.1 | 166.9 | 0 | 0 | 0 | 110.7 | A31 Q32 T40 | A31-L38 HydrophobicContact CB-CD2 3.83Å; Q32-L38 HydrophobicContact CB-CD1 4.31Å; Q32-L38 HydrophobicContact CG-CD1 3.23Å; L38-T40 PolarHBondContact O-N 3.49Å | ||
| 39 | E | 89.6 | Confident | 89.1 | Confident | 197 Ų | 197 | 119.6 Ų | 119.6 | 92% | 0.921 | 62% | 0.624 | S | S | * | * | trans | -77.2 | 125.2 | 171.5 | -66.5 | -175 | 166.9 | 0 | 0 | 110.7 | ||||
| 40 | T | 89.5 | Confident | 89 | Confident | 130 Ų | 130 | 124 Ų | 124 | 80% | 0.798 | 64% | 0.639 | S | S | * | * | trans | -115.7 | 133.4 | 171.8 | 64.3 | 0 | 0 | 0 | 0 | 109.9 | L38 | L38-T40 PolarHBondContact O-N 3.49Š| ||
| 41 | T | 91 | Very high | 88.6 | Confident | 130 Ų | 130 | 128.1 Ų | 128.1 | 80% | 0.798 | 65% | 0.653 | S | S | * | * | trans | -128.5 | 137.3 | 175.7 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | K43 | T41-K43 PolarHBondContact O-N 2.87Š| ||
| 42 | K | 92.2 | Very high | 88.4 | Confident | 183 Ų | 183 | 133 Ų | 133 | 80% | 0.796 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 129.9 | 175.4 | -174.7 | 178.4 | 178.5 | -178.8 | 0 | 109 | A46 | K42-A46 HydrophobicContact CG-CB 4.06Š|
| 43 | K | 91.1 | Very high | 88 | Confident | 175 Ų | 175 | 131.6 Ų | 131.6 | 76% | 0.761 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 141.8 | 175.3 | -66.4 | -178.7 | 179.7 | 173.9 | 0 | 110.8 | T41 S45 A46 | T41-K43 PolarHBondContact O-N 2.87Å; K43-S45 PolarHBondContact O-N 3.18Å; K43-A46 HydrophobicContact CB-CB 4.19Å; K43-A46 WeakPolarHBondContact O-CB 3.45Å; K43-A46 PolarHBondContact O-N 3.4Å |
| 44 | W | 85.4 | Confident | 87.5 | Confident | 248 Ų | 248 | 127.1 Ų | 127.1 | 94% | 0.939 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 133.5 | 168.5 | -173.2 | -108.6 | 0 | 0 | 0 | 110 | A46 | W44-A46 VanDerWaalsContact C-N 3.25Å; W44-A46 PolarHBondContact O-N 3.11Å |
| 45 | S | 88.6 | Confident | 86.9 | Confident | 66 Ų | 66 | 123.2 Ų | 123.2 | 46% | 0.462 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 62 | 19 | -171.9 | -55.3 | 0 | 0 | 0 | 0 | 116.2 | K43 G47 Q48 | K43-S45 PolarHBondContact O-N 3.18Å; S45-G47 PolarHBondContact O-N 2.9Å; S45-Q48 PolarHBondContact O-N 2.88Å |
| 46 | A | 89.1 | Confident | 86.6 | Confident | 43 Ų | 43 | 124 Ų | 124 | 36% | 0.355 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.8 | 135.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | K42 K43 W44 | K42-A46 HydrophobicContact CG-CB 4.06Å; K43-A46 HydrophobicContact CB-CB 4.19Å; K43-A46 WeakPolarHBondContact O-CB 3.45Å; K43-A46 PolarHBondContact O-N 3.4Å; W44-A46 VanDerWaalsContact C-N 3.25Å; W44-A46 PolarHBondContact O-N 3.11Å |
| 47 | G | 89.7 | Confident | 86.3 | Confident | 92 Ų | 92 | 125.1 Ų | 125.1 | 95% | 0.948 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.3 | 9.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S45 | S45-G47 PolarHBondContact O-N 2.9Š|
| 48 | Q | 91.8 | Very high | 86.2 | Confident | 142 Ų | 142 | 121.5 Ų | 121.5 | 66% | 0.664 | 63% | 0.631 | S | S | * | * | trans | -116.3 | 151.6 | 177.6 | -63.7 | -178.9 | -34.4 | 0 | 0 | 111.1 | S45 | S45-Q48 PolarHBondContact O-N 2.88Š| ||
| 49 | N | 86.9 | Confident | 86.1 | Confident | 128 Ų | 128 | 120.3 Ų | 120.3 | 68% | 0.684 | 63% | 0.632 | S | S | * | * | trans | -117.6 | 62.8 | 176.2 | -171.4 | 7 | 0 | 0 | 0 | 111.3 | Q51 | N49-Q51 PolarHBondContact ND2-NE2 2.97Å; N49-Q51 PolarHBondContact O-N 3.2Å; N49-Q51 VanDerWaalsContact O-N 3.1Å; N49-Q51 PolarHBondContact OD1-NE2 3.1Å | ||
| 50 | K | 87.3 | Confident | 85.8 | Confident | 139 Ų | 139 | 117.2 Ų | 117.2 | 60% | 0.604 | 62% | 0.615 | S | S | * | * | trans | -68.5 | 110 | 176.4 | -171.8 | 164.7 | -174.3 | 163.1 | 0 | 109.3 | H52 L53 | K50-H52 WeakPolarHBondContact CE-O 3.07Å; K50-L53 HydrophobicContact CB-CD1 4.08Å; K50-L53 HydrophobicContact CG-CD1 4.18Å; K50-L53 WeakPolarHBondContact O-CD1 3.18Å | ||
| 51 | Q | 82.2 | Confident | 85.4 | Confident | 117 Ų | 117 | 114.4 Ų | 114.4 | 55% | 0.547 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -72.1 | -37.9 | -175.1 | -70 | -67 | -55.8 | 0 | 0 | 113 | N49 Q119 | N49-Q51 PolarHBondContact ND2-NE2 2.97Å; N49-Q51 PolarHBondContact O-N 3.2Å; N49-Q51 VanDerWaalsContact O-N 3.1Å; N49-Q51 PolarHBondContact OD1-NE2 3.1Å; Q51-Q119 PolarHBondContact O-NE2 2.77Å |
| 52 | H | 82.8 | Confident | 85 | Confident | 111 Ų | 111 | 114.8 Ų | 114.8 | 51% | 0.514 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -106.4 | 101.3 | 179.8 | -165.2 | -58.7 | 0 | 0 | 0 | 110.4 | K50 | K50-H52 WeakPolarHBondContact CE-O 3.07Š|
| 53 | L | 81.4 | Confident | 84.7 | Confident | 93 Ų | 93 | 115.1 Ų | 115.1 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | trans | -86.5 | 150.1 | 172.9 | -93.5 | 65.7 | 0 | 0 | 0 | 110.7 | K50 | K50-L53 HydrophobicContact CB-CD1 4.08Å; K50-L53 HydrophobicContact CG-CD1 4.18Å; K50-L53 WeakPolarHBondContact O-CD1 3.18Å | ||
| 54 | M | 81.8 | Confident | 84.1 | Confident | 119 Ų | 119 | 111.3 Ų | 111.3 | 59% | 0.586 | 57% | 0.573 | S | S | * | * | trans | -72.3 | 131.7 | 170.5 | -63.7 | -53.8 | 119.3 | 0 | 0 | 109.1 | T58 | M54-T58 HydrophobicContact CB-CG2 4.35Å; M54-T58 HydrophobicContact CG-CG2 4.23Å | ||
| 55 | T | 78.4 | Confident | 83.5 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -79.6 | -23.9 | -175.4 | -167.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 56 | K | 80.5 | Confident | 82.6 | Confident | 83 Ų | 83 | 110.8 Ų | 110.8 | 36% | 0.361 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -113.4 | 155.7 | 176.8 | -75.5 | -174 | 174.8 | -170.3 | 0 | 110.1 | T58 L61 H70 | K56-T58 PolarHBondContact O-N 2.89Å; K56-L61 HydrophobicContact CB-CD1 3.77Å; K56-L61 HydrophobicContact CB-CG 4.2Å; K56-L61 HydrophobicContact CD-CD1 4.25Å; K56-L61 HydrophobicContact CD-CD2 3.84Å; K56-L61 HydrophobicContact CD-CG 4.3Å; K56-H70 PolarHBondContact NZ-CD2 3.25Å; K56-H70 PolarHBondContact NZ-NE2 2.94Å; K56-H70 VanDerWaalsContact NZ-NE2 3.11Å |
| 57 | N | 82.6 | Confident | 81.4 | Confident | 116 Ų | 116 | 114.6 Ų | 114.6 | 62% | 0.62 | 59% | 0.593 | S | S | * | * | trans | -69.7 | 113.4 | 174.1 | -74.2 | -51.9 | 0 | 0 | 0 | 109.8 | A59 K60 L61 | N57-A59 VanDerWaalsContact C-N 3.27Å; N57-A59 PolarHBondContact O-N 2.73Å; N57-K60 HydrophobicContact CB-CB 4.24Å; N57-K60 HydrophobicContact CB-CD 4.39Å; N57-K60 HydrophobicContact CB-CG 4.1Å; N57-K60 PolarHBondContact O-N 3.45Å; N57-L61 PolarHBondContact O-N 2.77Å; N57-L61 VanDerWaalsContact O-N 3.13Å | ||
| 58 | T | 82.7 | Confident | 80.6 | Confident | 92 Ų | 92 | 117.9 Ų | 117.9 | 56% | 0.564 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.6 | -37.5 | -178.1 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | M54 K56 K60 L61 D62 | M54-T58 HydrophobicContact CB-CG2 4.35Å; M54-T58 HydrophobicContact CG-CG2 4.23Å; K56-T58 PolarHBondContact O-N 2.89Å; T58-K60 PolarHBondContact O-N 3.24Å; T58-L61 PolarHBondContact O-N 3.08Å; T58-D62 WeakPolarHBondContact O-CB 3.44Å; T58-D62 PolarHBondContact O-N 3.44Å |
| 59 | A | 84.1 | Confident | 79.8 | Confident | 51 Ų | 51 | 118.4 Ų | 118.4 | 42% | 0.421 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.2 | -20.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N57 R63 | N57-A59 VanDerWaalsContact C-N 3.27Å; N57-A59 PolarHBondContact O-N 2.73Å; A59-R63 WeakPolarHBondContact O-CG 3.22Å; A59-R63 PolarHBondContact O-NH1 3.39Å |
| 60 | K | 82.6 | Confident | 79.4 | Confident | 131 Ų | 131 | 115.8 Ų | 115.8 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -83 | -45.5 | 171.2 | -70.7 | -167.1 | 175 | -166.3 | 0 | 110.4 | N57 T58 D62 R63 E64 | N57-K60 HydrophobicContact CB-CB 4.24Å; N57-K60 HydrophobicContact CB-CD 4.39Å; N57-K60 HydrophobicContact CB-CG 4.1Å; N57-K60 PolarHBondContact O-N 3.45Å; T58-K60 PolarHBondContact O-N 3.24Å; K60-D62 PolarHBondContact O-N 2.99Å; K60-R63 PolarHBondContact O-N 3.16Å; K60-E64 WeakPolarHBondContact O-CG 3.44Å; K60-E64 PolarHBondContact O-N 3.33Å |
| 61 | L | 82 | Confident | 79.2 | Confident | 71 Ų | 71 | 117.6 Ų | 117.6 | 37% | 0.372 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -56.7 | -36.4 | 175.7 | -74.7 | 174.6 | 0 | 0 | 0 | 113 | K56 N57 T58 R63 | K56-L61 HydrophobicContact CB-CD1 3.77Å; K56-L61 HydrophobicContact CB-CG 4.2Å; K56-L61 HydrophobicContact CD-CD1 4.25Å; K56-L61 HydrophobicContact CD-CD2 3.84Å; K56-L61 HydrophobicContact CD-CG 4.3Å; N57-L61 PolarHBondContact O-N 2.77Å; N57-L61 VanDerWaalsContact O-N 3.13Å; T58-L61 PolarHBondContact O-N 3.08Å; L61-R63 VanDerWaalsContact C-N 3.32Å |
| 62 | D | 82.2 | Confident | 79.5 | Confident | 138 Ų | 138 | 119.8 Ų | 119.8 | 74% | 0.738 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -26.1 | 178.1 | -169.7 | 56.2 | 0 | 0 | 0 | 113.2 | T58 K60 | T58-D62 WeakPolarHBondContact O-CB 3.44Å; T58-D62 PolarHBondContact O-N 3.44Å; K60-D62 PolarHBondContact O-N 2.99Å |
| 63 | R | 84.6 | Confident | 79.7 | Confident | 191 Ų | 191 | 115 Ų | 115 | 72% | 0.721 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -23 | 177.1 | -70.2 | -175.9 | 176.9 | 87 | -1.9 | 113.2 | A59 K60 L61 T65 | A59-R63 WeakPolarHBondContact O-CG 3.22Å; A59-R63 PolarHBondContact O-NH1 3.39Å; K60-R63 PolarHBondContact O-N 3.16Å; L61-R63 VanDerWaalsContact C-N 3.32Å; R63-T65 PolarHBondContact O-N 2.92Å |
| 64 | E | 78.8 | Confident | 80 | Confident | 94 Ų | 94 | 113.3 Ų | 113.3 | 44% | 0.439 | 56% | 0.562 | S | S | . | * | trans | -76.6 | 102.2 | 177.7 | -80.5 | 168 | -170.5 | 0 | 0 | 109.3 | K60 | K60-E64 WeakPolarHBondContact O-CG 3.44Å; K60-E64 PolarHBondContact O-N 3.33Å | ||
| 65 | T | 72.8 | Confident | 80.3 | Confident | 120 Ų | 120 | 112.8 Ų | 112.8 | 74% | 0.736 | 56% | 0.561 | S | S | * | * | trans | -100 | -7.2 | 177.9 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | R63 | R63-T65 PolarHBondContact O-N 2.92Š| ||
| 66 | E | 70 | Confident | 80.8 | Confident | 183 Ų | 183 | 115 Ų | 115 | 86% | 0.855 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -109 | -30.9 | -168.1 | -62.1 | -176.5 | 165.4 | 0 | 0 | 114.5 | ||
| 67 | E | 64.9 | Low | 81.3 | Confident | 123 Ų | 123 | 111.5 Ų | 111.5 | 58% | 0.575 | 55% | 0.552 | S | S | * | * | trans | -97.7 | 105.7 | -176.7 | -172.2 | 163.7 | -134.8 | 0 | 0 | 112 | Q69 | E67-Q69 HydrophobicContact CG-CG 4.37Š| ||
| 68 | L | 72 | Confident | 81.7 | Confident | 162 Ų | 162 | 106 Ų | 106 | 85% | 0.848 | 52% | 0.523 | S | S | * | . | trans | -91.1 | -10.1 | 179.5 | -103.8 | 84.2 | 0 | 0 | 0 | 114.8 | ||||
| 69 | Q | 74.7 | Confident | 82.2 | Confident | 152 Ų | 152 | 107.2 Ų | 107.2 | 71% | 0.71 | 52% | 0.521 | S | S | * | . | trans | -99.9 | 140.6 | -174.8 | 63.3 | 174.5 | -27.5 | 0 | 0 | 112.9 | E67 | E67-Q69 HydrophobicContact CG-CG 4.37Š| ||
| 70 | H | 79 | Confident | 82.6 | Confident | 74 Ų | 74 | 105.4 Ų | 105.4 | 34% | 0.343 | 50% | 0.504 | S | S | . | . | trans | -110.7 | 130.3 | 175.7 | -73.8 | 72.8 | 0 | 0 | 0 | 109.9 | K56 R72 I115 | K56-H70 PolarHBondContact NZ-CD2 3.25Å; K56-H70 PolarHBondContact NZ-NE2 2.94Å; K56-H70 VanDerWaalsContact NZ-NE2 3.11Å; H70-R72 PolarHBondContact O-N 3.27Å; H70-I115 HydrophobicContact CB-CD1 3.94Å; H70-I115 HydrophobicContact CB-CG1 4.19Å | ||
| 71 | Q | 83.2 | Confident | 83.1 | Confident | 177 Ų | 177 | 99.2 Ų | 99.2 | 83% | 0.827 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 129.5 | 169.1 | -67.9 | -177.2 | 17.9 | 0 | 0 | 109.7 | P116 | Q71-P116 WeakPolarHBondContact O-CD 3.22Š|
| 72 | R | 87.6 | Confident | 83.6 | Confident | 162 Ų | 162 | 99.7 Ų | 99.7 | 61% | 0.611 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -99.9 | 165.7 | 178.4 | -59.1 | -176.6 | -174.2 | -98.6 | 1 | 110.3 | H70 S74 G112 K113 A114 | H70-R72 PolarHBondContact O-N 3.27Å; R72-S74 PolarHBondContact O-N 3.5Å; R72-G112 WeakPolarHBondContact CB-O 3.36Å; R72-K113 PolarHBondContact NH1-O 2.88Å; R72-A114 WeakPolarHBondContact CA-O 2.97Å |
| 73 | V | 87.1 | Confident | 84.1 | Confident | 11 Ų | 11 | 98.3 Ų | 98.3 | 7% | 0.067 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 134.5 | 174 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | V77 Y109 G112 A114 P116 | V73-V77 HydrophobicContact CG1-CB 3.67Å; V73-V77 HydrophobicContact CG1-CG1 3.59Å; V73-Y109 HydrophobicContact CG2-CD1 3.78Å; V73-Y109 HydrophobicContact CG2-CE1 3.8Å; V73-G112 WeakPolarHBondContact O-CA 3.27Å; V73-A114 HydrophobicContact CG2-CB 4.39Å; V73-A114 WeakPolarHBondContact CG2-O 3.36Å; V73-A114 PolarHBondContact N-O 3.08Å; V73-P116 HydrophobicContact CG2-CB 3.91Å; V73-P116 HydrophobicContact CG2-CG 4.47Å |
| 74 | S | 88.1 | Confident | 84.5 | Confident | 58 Ų | 58 | 89.3 Ų | 89.3 | 41% | 0.406 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 152.5 | 177.2 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | R72 E76 V77 G78 | R72-S74 PolarHBondContact O-N 3.5Å; S74-E76 PolarHBondContact O-N 3.01Å; S74-V77 PolarHBondContact O-N 3.26Å; S74-V77 WeakPolarHBondContact OG-CG2 3.39Å; S74-G78 PolarHBondContact O-N 3.06Å |
| 75 | L | 88.1 | Confident | 85.3 | Confident | 107 Ų | 107 | 86.5 Ų | 86.5 | 56% | 0.56 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.9 | -30.1 | 178.7 | -172.7 | 64.5 | 0 | 0 | 0 | 112.5 | G78 K79 | L75-G78 PolarHBondContact O-N 3.11Å; L75-K79 WeakPolarHBondContact O-CG 3.36Å; L75-K79 PolarHBondContact O-N 3.07Å |
| 76 | E | 89.3 | Confident | 86.2 | Confident | 119 Ų | 119 | 86.1 Ų | 86.1 | 56% | 0.556 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.8 | -47.8 | 175.2 | -173.6 | -174.1 | 170.4 | 0 | 0 | 111.7 | S74 G78 K79 V80 | S74-E76 PolarHBondContact O-N 3.01Å; E76-G78 VanDerWaalsContact C-N 3.29Å; E76-G78 PolarHBondContact O-N 2.84Å; E76-K79 PolarHBondContact O-N 2.78Å; E76-V80 WeakPolarHBondContact O-CG2 3.46Å; E76-V80 PolarHBondContact O-N 2.74Å |
| 77 | V | 90.3 | Very high | 87.3 | Confident | 9 Ų | 9 | 83.9 Ų | 83.9 | 6% | 0.055 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | V73 S74 K79 V80 I81 L132 I137 | V73-V77 HydrophobicContact CG1-CB 3.67Å; V73-V77 HydrophobicContact CG1-CG1 3.59Å; S74-V77 PolarHBondContact O-N 3.26Å; S74-V77 WeakPolarHBondContact OG-CG2 3.39Å; V77-K79 PolarHBondContact O-N 2.71Å; V77-V80 PolarHBondContact O-N 2.93Å; V77-I81 HydrophobicContact CG1-CD1 3.99Å; V77-I81 HydrophobicContact CG1-CG1 4.49Å; V77-I81 VanDerWaalsContact O-CG1 3.29Å; V77-I81 WeakPolarHBondContact O-CG1 3.25Å; V77-I81 PolarHBondContact O-N 2.89Å; V77-L132 HydrophobicContact CG1-CB 4.34Å; V77-L132 HydrophobicContact CG1-CD2 4.33Å; V77-I137 HydrophobicContact CG2-CD1 4.01Å; V77-I137 HydrophobicContact CG2-CG2 4.24Å |
| 78 | G | 91.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | S74 L75 E76 I81 Q82 | S74-G78 PolarHBondContact O-N 3.06Å; L75-G78 PolarHBondContact O-N 3.11Å; E76-G78 VanDerWaalsContact C-N 3.29Å; E76-G78 PolarHBondContact O-N 2.84Å; G78-I81 PolarHBondContact O-N 3.4Å; G78-Q82 PolarHBondContact O-N 3.01Å |
| 79 | K | 92.6 | Very high | 89.6 | Confident | 118 Ų | 118 | 78.2 Ų | 78.2 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 175.5 | -71.6 | 177.9 | -180 | -178.2 | 0 | 112.3 | L75 E76 V77 I81 Q82 Q83 | L75-K79 WeakPolarHBondContact O-CG 3.36Å; L75-K79 PolarHBondContact O-N 3.07Å; E76-K79 PolarHBondContact O-N 2.78Å; V77-K79 PolarHBondContact O-N 2.71Å; K79-I81 VanDerWaalsContact C-N 3.34Å; K79-I81 PolarHBondContact O-N 3.22Å; K79-Q82 PolarHBondContact O-N 2.97Å; K79-Q83 WeakPolarHBondContact O-CB 3.41Å; K79-Q83 WeakPolarHBondContact O-CG 3.42Å; K79-Q83 PolarHBondContact O-N 3.2Å |
| 80 | V | 93.1 | Very high | 90.5 | Very high | 13 Ų | 13 | 72.5 Ų | 72.5 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 178.2 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | E76 V77 Q83 G84 L130 L132 I137 | E76-V80 WeakPolarHBondContact O-CG2 3.46Å; E76-V80 PolarHBondContact O-N 2.74Å; V77-V80 PolarHBondContact O-N 2.93Å; V80-Q83 PolarHBondContact O-N 2.87Å; V80-G84 PolarHBondContact O-N 3.23Å; V80-L130 HydrophobicContact CG1-CB 4.27Å; V80-L130 HydrophobicContact CG1-CD1 3.92Å; V80-L132 HydrophobicContact CB-CD2 4.04Å; V80-L132 HydrophobicContact CG1-CD2 3.53Å; V80-I137 HydrophobicContact CG2-CG2 4.02Å |
| 81 | I | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 174.8 | -66.9 | 167.6 | 0 | 0 | 0 | 110.2 | V77 G78 K79 G84 R85 L95 E110 I124 L132 | V77-I81 HydrophobicContact CG1-CD1 3.99Å; V77-I81 HydrophobicContact CG1-CG1 4.49Å; V77-I81 VanDerWaalsContact O-CG1 3.29Å; V77-I81 WeakPolarHBondContact O-CG1 3.25Å; V77-I81 PolarHBondContact O-N 2.89Å; G78-I81 PolarHBondContact O-N 3.4Å; K79-I81 VanDerWaalsContact C-N 3.34Å; K79-I81 PolarHBondContact O-N 3.22Å; I81-G84 PolarHBondContact O-N 2.98Å; I81-R85 VanDerWaalsContact O-CB 3.27Å; I81-R85 WeakPolarHBondContact O-CB 3.46Å; I81-R85 PolarHBondContact O-N 3.33Å; I81-L95 HydrophobicContact CG2-CD2 4.36Å; I81-E110 HydrophobicContact CB-CG 4.35Å; I81-E110 HydrophobicContact CG2-CG 3.86Å; I81-I124 HydrophobicContact CD1-CD1 4.43Å; I81-I124 HydrophobicContact CG1-CG2 4.14Å; I81-I124 HydrophobicContact CG2-CG2 4.14Å; I81-L132 HydrophobicContact CD1-CD1 4.01Å; I81-L132 HydrophobicContact CG1-CD1 3.58Å; I81-L132 HydrophobicContact CG1-CD2 3.72Å; I81-L132 HydrophobicContact CG1-CG 4.31Å |
| 82 | Q | 93.4 | Very high | 91.8 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | -179.6 | 179.4 | 176.6 | 84.6 | 0 | 0 | 111.8 | G78 K79 R85 Q86 E110 | G78-Q82 PolarHBondContact O-N 3.01Å; K79-Q82 PolarHBondContact O-N 2.97Å; Q82-R85 PolarHBondContact O-N 3.33Å; Q82-Q86 VanDerWaalsContact CG-NE2 3.31Å; Q82-Q86 WeakPolarHBondContact O-CG 3.29Å; Q82-Q86 PolarHBondContact O-N 2.95Å; Q82-E110 HydrophobicContact CB-CG 4.41Å |
| 83 | Q | 92.6 | Very high | 92.1 | Very high | 110 Ų | 110 | 66.2 Ų | 66.2 | 51% | 0.514 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 176.6 | -72 | 174.6 | 4.5 | 0 | 0 | 111.5 | K79 V80 R85 Q86 N87 | K79-Q83 WeakPolarHBondContact O-CB 3.41Å; K79-Q83 WeakPolarHBondContact O-CG 3.42Å; K79-Q83 PolarHBondContact O-N 3.2Å; V80-Q83 PolarHBondContact O-N 2.87Å; Q83-R85 PolarHBondContact O-N 2.85Å; Q83-Q86 PolarHBondContact O-N 3.22Å; Q83-N87 WeakPolarHBondContact O-CB 3.44Å; Q83-N87 PolarHBondContact O-N 2.98Å; Q83-N87 PolarHBondContact O-ND2 2.64Å; Q83-N87 PolarHBondContact O-OD1 2.92Å |
| 84 | G | 92.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 69.1 Ų | 69.1 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -33.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V80 I81 K88 | V80-G84 PolarHBondContact O-N 3.23Å; I81-G84 PolarHBondContact O-N 2.98Å; G84-K88 PolarHBondContact O-N 3.43Å |
| 85 | R | 94.5 | Very high | 92.8 | Very high | 35 Ų | 35 | 66.3 Ų | 66.3 | 13% | 0.132 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.6 | -49.2 | 173.9 | -178.4 | -178.1 | 65.1 | 74.9 | -4.8 | 111.7 | I81 Q82 Q83 K88 G89 L90 L95 E110 | I81-R85 VanDerWaalsContact O-CB 3.27Å; I81-R85 WeakPolarHBondContact O-CB 3.46Å; I81-R85 PolarHBondContact O-N 3.33Å; Q82-R85 PolarHBondContact O-N 3.33Å; Q83-R85 PolarHBondContact O-N 2.85Å; R85-K88 CarbonylContact O-C 3.58Å; R85-K88 PolarHBondContact O-N 3.15Å; R85-G89 PolarHBondContact O-N 3.18Å; R85-L90 WeakPolarHBondContact CD-O 3.32Å; R85-L90 HydrophobicContact CG-CB 3.84Å; R85-L90 WeakPolarHBondContact CG-O 3.43Å; R85-L90 PolarHBondContact NH1-O 3.03Å; R85-L90 PolarHBondContact O-N 2.98Å; R85-L90 VanDerWaalsContact O-N 3.1Å; R85-L95 HydrophobicContact CB-CD2 4.4Å; R85-L95 HydrophobicContact CG-CD2 4.34Å; R85-E110 IonicContact CZ-OE1 3.9Å; R85-E110 IonicContact NE-OE1 3.89Å; R85-E110 PolarHBondContact NE-OE1 2.91Å; R85-E110 IonicContact NH2-OE1 2.71Å; R85-E110 IonicContact NH2-OE2 3.09Å |
| 86 | Q | 92.9 | Very high | 93.1 | Very high | 112 Ų | 112 | 61.2 Ų | 61.2 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 179.5 | -72 | 178.3 | 28.9 | 0 | 0 | 112.1 | Q82 Q83 K88 G89 | Q82-Q86 VanDerWaalsContact CG-NE2 3.31Å; Q82-Q86 WeakPolarHBondContact O-CG 3.29Å; Q82-Q86 PolarHBondContact O-N 2.95Å; Q83-Q86 PolarHBondContact O-N 3.22Å; Q86-K88 PolarHBondContact O-N 3.17Å; Q86-K88 VanDerWaalsContact O-N 3.11Å; Q86-G89 PolarHBondContact O-N 3.34Å |
| 87 | N | 92.3 | Very high | 93.4 | Very high | 136 Ų | 136 | 59.9 Ų | 59.9 | 73% | 0.727 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.4 | -23.5 | 176.6 | -69.1 | -9.8 | 0 | 0 | 0 | 112.9 | Q83 | Q83-N87 WeakPolarHBondContact O-CB 3.44Å; Q83-N87 PolarHBondContact O-N 2.98Å; Q83-N87 PolarHBondContact O-ND2 2.64Å; Q83-N87 PolarHBondContact O-OD1 2.92Å |
| 88 | K | 91.6 | Very high | 93.5 | Very high | 100 Ų | 100 | 65.6 Ų | 65.6 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 4.4 | 175.2 | -69.7 | -164.9 | 178.7 | -179.1 | 0 | 114.1 | G84 R85 Q86 L90 A127 I128 | G84-K88 PolarHBondContact O-N 3.43Å; R85-K88 CarbonylContact O-C 3.58Å; R85-K88 PolarHBondContact O-N 3.15Å; Q86-K88 PolarHBondContact O-N 3.17Å; Q86-K88 VanDerWaalsContact O-N 3.11Å; K88-L90 HydrophobicContact CB-CD1 3.95Å; K88-L90 HydrophobicContact CB-CG 4.03Å; K88-L90 PolarHBondContact O-N 2.95Å; K88-A127 WeakPolarHBondContact CD-O 3.42Å; K88-A127 PolarHBondContact NZ-O 3.22Å; K88-I128 VanDerWaalsContact CE-C 3.47Å; K88-I128 WeakPolarHBondContact CE-O 3.43Å; K88-I128 PolarHBondContact NZ-O 2.97Å |
| 89 | G | 93.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 65.8 Ų | 65.8 | 68% | 0.68 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 22.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R85 Q86 | R85-G89 PolarHBondContact O-N 3.18Å; Q86-G89 PolarHBondContact O-N 3.34Å |
| 90 | L | 93.4 | Very high | 93.7 | Very high | 32 Ų | 32 | 66.6 Ų | 66.6 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | trans | -89.6 | 141.8 | -177.2 | -67.3 | 170.5 | 0 | 0 | 0 | 110.5 | R85 K88 D94 | R85-L90 WeakPolarHBondContact CD-O 3.32Å; R85-L90 HydrophobicContact CG-CB 3.84Å; R85-L90 WeakPolarHBondContact CG-O 3.43Å; R85-L90 PolarHBondContact NH1-O 3.03Å; R85-L90 PolarHBondContact O-N 2.98Å; R85-L90 VanDerWaalsContact O-N 3.1Å; K88-L90 HydrophobicContact CB-CD1 3.95Å; K88-L90 HydrophobicContact CB-CG 4.03Å; K88-L90 PolarHBondContact O-N 2.95Å; L90-D94 HydrophobicContact CD2-CB 4.06Å | ||
| 91 | T | 95.4 | Very high | 93.7 | Very high | 68 Ų | 68 | 68.3 Ų | 68.3 | 42% | 0.417 | 35% | 0.353 | S | S | . | . | trans | -82 | 166.9 | 164.8 | 72.4 | 0 | 0 | 0 | 0 | 110.9 | K93 D94 L95 | T91-K93 PolarHBondContact O-N 3.17Å; T91-K93 PolarHBondContact OG1-N 3.3Å; T91-D94 VanDerWaalsContact CB-OD2 3.29Å; T91-D94 WeakPolarHBondContact CB-OD2 3.36Å; T91-D94 VanDerWaalsContact CG2-OD2 3.32Å; T91-D94 WeakPolarHBondContact CG2-OD2 3.45Å; T91-D94 PolarHBondContact N-OD2 3.13Å; T91-D94 PolarHBondContact O-N 3.44Å; T91-D94 PolarHBondContact OG1-N 3.12Å; T91-D94 VanDerWaalsContact OG1-N 3.12Å; T91-D94 PolarHBondContact OG1-OD1 3.19Å; T91-D94 PolarHBondContact OG1-OD2 3.27Å; T91-L95 PolarHBondContact O-N 2.93Å | ||
| 92 | Q | 94.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 75.8 Ų | 75.8 | 33% | 0.327 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.8 | -36.9 | 173.9 | -71.6 | 178.5 | -14 | 0 | 0 | 111.3 | A96 I106 E110 | Q92-A96 WeakPolarHBondContact O-CB 3.18Å; Q92-A96 PolarHBondContact O-N 3.15Å; Q92-I106 HydrophobicContact CB-CG2 4.19Å; Q92-I106 HydrophobicContact CG-CG2 4.09Å; Q92-E110 PolarHBondContact NE2-OE2 3.16Å |
| 93 | K | 95.5 | Very high | 93.8 | Very high | 143 Ų | 143 | 75 Ų | 75 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 176.4 | -173.6 | -177.5 | 177.1 | -174.7 | 0 | 111.5 | T91 A96 T97 P103 | T91-K93 PolarHBondContact O-N 3.17Å; T91-K93 PolarHBondContact OG1-N 3.3Å; K93-A96 PolarHBondContact O-N 3.3Å; K93-T97 WeakPolarHBondContact O-CB 3.49Å; K93-T97 PolarHBondContact O-N 3.26Å; K93-T97 PolarHBondContact O-OG1 2.93Å; K93-P103 HydrophobicContact CG-CG 4.48Å |
| 94 | D | 94 | Very high | 93.9 | Very high | 71 Ų | 71 | 75.5 Ų | 75.5 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 179.7 | -54.5 | -35.5 | 0 | 0 | 0 | 111.3 | L90 T91 T97 K98 | L90-D94 HydrophobicContact CD2-CB 4.06Å; T91-D94 VanDerWaalsContact CB-OD2 3.29Å; T91-D94 WeakPolarHBondContact CB-OD2 3.36Å; T91-D94 VanDerWaalsContact CG2-OD2 3.32Å; T91-D94 WeakPolarHBondContact CG2-OD2 3.45Å; T91-D94 PolarHBondContact N-OD2 3.13Å; T91-D94 PolarHBondContact O-N 3.44Å; T91-D94 PolarHBondContact OG1-N 3.12Å; T91-D94 VanDerWaalsContact OG1-N 3.12Å; T91-D94 PolarHBondContact OG1-OD1 3.19Å; T91-D94 PolarHBondContact OG1-OD2 3.27Å; D94-T97 PolarHBondContact O-N 2.96Å; D94-K98 VanDerWaalsContact O-CB 3.27Å; D94-K98 WeakPolarHBondContact O-CB 3.38Å; D94-K98 PolarHBondContact O-N 2.86Å |
| 95 | L | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | 174.6 | 179.6 | 60.1 | 0 | 0 | 0 | 110.8 | I81 R85 T91 T97 K98 I99 I106 A127 I128 | I81-L95 HydrophobicContact CG2-CD2 4.36Å; R85-L95 HydrophobicContact CB-CD2 4.4Å; R85-L95 HydrophobicContact CG-CD2 4.34Å; T91-L95 PolarHBondContact O-N 2.93Å; L95-T97 VanDerWaalsContact C-N 3.35Å; L95-T97 PolarHBondContact O-N 3.04Å; L95-K98 WeakPolarHBondContact O-CB 3.48Å; L95-K98 PolarHBondContact O-N 3.3Å; L95-I99 HydrophobicContact CD1-CG2 4.28Å; L95-I99 WeakPolarHBondContact O-CG1 3.4Å; L95-I99 PolarHBondContact O-N 2.98Å; L95-I106 HydrophobicContact CD2-CD1 4.14Å; L95-I106 HydrophobicContact CD2-CG2 4.08Å; L95-I106 HydrophobicContact CG-CD1 4.21Å; L95-A127 HydrophobicContact CD1-CB 3.64Å; L95-I128 HydrophobicContact CD1-CG2 4.14Å; L95-I128 HydrophobicContact CD2-CG2 4.42Å |
| 96 | A | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q92 K93 K98 I99 N100 E101 P103 I106 | Q92-A96 WeakPolarHBondContact O-CB 3.18Å; Q92-A96 PolarHBondContact O-N 3.15Å; K93-A96 PolarHBondContact O-N 3.3Å; A96-K98 PolarHBondContact O-N 2.85Å; A96-I99 WeakPolarHBondContact O-CG1 3.27Å; A96-I99 PolarHBondContact O-N 2.89Å; A96-N100 PolarHBondContact O-N 3.02Å; A96-E101 CarbonylContact C-O 3.47Å; A96-E101 WeakPolarHBondContact CB-O 3.41Å; A96-E101 PolarHBondContact O-N 3.06Å; A96-P103 HydrophobicContact CB-CB 4.32Å; A96-P103 HydrophobicContact CB-CG 4.13Å; A96-I106 HydrophobicContact CB-CG1 3.87Å |
| 97 | T | 95.5 | Very high | 94 | Very high | 91 Ų | 91 | 71.2 Ų | 71.2 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 176.7 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | K93 D94 L95 I99 N100 | K93-T97 WeakPolarHBondContact O-CB 3.49Å; K93-T97 PolarHBondContact O-N 3.26Å; K93-T97 PolarHBondContact O-OG1 2.93Å; D94-T97 PolarHBondContact O-N 2.96Å; L95-T97 VanDerWaalsContact C-N 3.35Å; L95-T97 PolarHBondContact O-N 3.04Å; T97-I99 VanDerWaalsContact C-N 3.3Å; T97-I99 PolarHBondContact O-N 3.06Å; T97-N100 PolarHBondContact O-N 3.38Å |
| 98 | K | 93.4 | Very high | 94.1 | Very high | 128 Ų | 128 | 67.2 Ų | 67.2 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.5 | -32.2 | 178.6 | -170.1 | 169.4 | -172.9 | 168.6 | 0 | 113.4 | D94 L95 A96 A127 | D94-K98 VanDerWaalsContact O-CB 3.27Å; D94-K98 WeakPolarHBondContact O-CB 3.38Å; D94-K98 PolarHBondContact O-N 2.86Å; L95-K98 WeakPolarHBondContact O-CB 3.48Å; L95-K98 PolarHBondContact O-N 3.3Å; A96-K98 PolarHBondContact O-N 2.85Å; K98-A127 HydrophobicContact CD-CB 4.41Å |
| 99 | I | 93.9 | Very high | 94.2 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -95.2 | -1.4 | 177.5 | 69.7 | 163.1 | 0 | 0 | 0 | 113.8 | L95 A96 T97 E101 I106 V120 K123 I124 A127 | L95-I99 HydrophobicContact CD1-CG2 4.28Å; L95-I99 WeakPolarHBondContact O-CG1 3.4Å; L95-I99 PolarHBondContact O-N 2.98Å; A96-I99 WeakPolarHBondContact O-CG1 3.27Å; A96-I99 PolarHBondContact O-N 2.89Å; T97-I99 VanDerWaalsContact C-N 3.3Å; T97-I99 PolarHBondContact O-N 3.06Å; I99-E101 HydrophobicContact CD1-CB 3.77Å; I99-E101 HydrophobicContact CD1-CG 3.52Å; I99-E101 HydrophobicContact CG1-CB 3.84Å; I99-E101 HydrophobicContact CG1-CG 3.74Å; I99-I106 HydrophobicContact CD1-CD1 3.52Å; I99-I106 HydrophobicContact CD1-CG1 4.45Å; I99-I106 HydrophobicContact CG1-CD1 4.47Å; I99-V120 HydrophobicContact CD1-CG1 4.46Å; I99-K123 HydrophobicContact CB-CB 3.95Å; I99-K123 HydrophobicContact CB-CD 4.29Å; I99-K123 HydrophobicContact CG2-CB 3.98Å; I99-K123 WeakPolarHBondContact O-CD 3.41Å; I99-K123 PolarHBondContact O-NZ 3.32Å; I99-K123 VanDerWaalsContact O-NZ 3.12Å; I99-I124 HydrophobicContact CD1-CD1 4.4Å; I99-I124 HydrophobicContact CD1-CG1 3.77Å; I99-A127 HydrophobicContact CG2-CB 3.93Å |
| 100 | N | 93.4 | Very high | 94.1 | Very high | 135 Ų | 135 | 60.5 Ų | 60.5 | 72% | 0.722 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 48.3 | -173.9 | -54 | -76.5 | 0 | 0 | 0 | 112.6 | A96 T97 | A96-N100 PolarHBondContact O-N 3.02Å; T97-N100 PolarHBondContact O-N 3.38Å |
| 101 | E | 93.7 | Very high | 94 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -126 | 167.1 | 172.8 | -61.9 | -62.3 | 161.4 | 0 | 0 | 110 | A96 I99 V120 K123 | A96-E101 CarbonylContact C-O 3.47Å; A96-E101 WeakPolarHBondContact CB-O 3.41Å; A96-E101 PolarHBondContact O-N 3.06Å; I99-E101 HydrophobicContact CD1-CB 3.77Å; I99-E101 HydrophobicContact CD1-CG 3.52Å; I99-E101 HydrophobicContact CG1-CB 3.84Å; I99-E101 HydrophobicContact CG1-CG 3.74Å; E101-V120 HydrophobicContact CG-CG1 4.49Å; E101-K123 IonicContact OE1-NZ 2.75Å; E101-K123 PolarHBondContact OE1-NZ 3.02Å |
| 102 | K | 94.1 | Very high | 93.7 | Very high | 158 Ų | 158 | 60 Ų | 60 | 69% | 0.687 | 31% | 0.311 | S | S | * | . | trans | -74.2 | 145.6 | 176.3 | -61.9 | -177.1 | 177.1 | -178.4 | 0 | 111 | Q104 V105 | K102-Q104 PolarHBondContact O-N 3.34Å; K102-V105 HydrophobicContact CB-CG2 4.22Å; K102-V105 WeakPolarHBondContact O-CB 3.39Å; K102-V105 PolarHBondContact O-N 3.45Å | ||
| 103 | P | 94.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55 | -35.8 | 175.7 | -26.2 | 34.4 | 0 | 0 | 0 | 113.6 | K93 A96 V105 I106 A107 | K93-P103 HydrophobicContact CG-CG 4.48Å; A96-P103 HydrophobicContact CB-CB 4.32Å; A96-P103 HydrophobicContact CB-CG 4.13Å; P103-V105 PolarHBondContact O-N 3.2Å; P103-I106 PolarHBondContact O-N 2.9Å; P103-I106 VanDerWaalsContact O-N 3.15Å; P103-A107 PolarHBondContact O-N 3.42Å; P103-A107 VanDerWaalsContact O-N 3.08Å |
| 104 | Q | 94.7 | Very high | 93 | Very high | 121 Ų | 121 | 56.9 Ų | 56.9 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.5 | -37.8 | 175.8 | -172.1 | 61.9 | 34.8 | 0 | 0 | 112.4 | K102 I106 A107 D108 | K102-Q104 PolarHBondContact O-N 3.34Å; Q104-I106 PolarHBondContact O-N 3.28Å; Q104-A107 PolarHBondContact O-N 2.92Å; Q104-D108 PolarHBondContact NE2-OD1 2.74Å; Q104-D108 VanDerWaalsContact O-CG 3.25Å; Q104-D108 PolarHBondContact O-N 2.95Å |
| 105 | V | 93.3 | Very high | 92.8 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 24% | 0.242 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 178 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | K102 P103 A107 D108 Y109 V120 | K102-V105 HydrophobicContact CB-CG2 4.22Å; K102-V105 WeakPolarHBondContact O-CB 3.39Å; K102-V105 PolarHBondContact O-N 3.45Å; P103-V105 PolarHBondContact O-N 3.2Å; V105-A107 VanDerWaalsContact C-N 3.3Å; V105-A107 PolarHBondContact O-N 2.75Å; V105-D108 PolarHBondContact O-N 2.96Å; V105-D108 VanDerWaalsContact O-N 3.16Å; V105-Y109 HydrophobicContact CG1-CD2 3.66Å; V105-Y109 HydrophobicContact CG1-CE2 3.53Å; V105-Y109 VanDerWaalsContact O-CD2 3.22Å; V105-Y109 WeakPolarHBondContact O-CD2 3.37Å; V105-Y109 PolarHBondContact O-N 2.9Å; V105-V120 HydrophobicContact CG1-CG1 4.36Å |
| 106 | I | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.9 | -44.2 | 177.6 | -62.4 | -56.7 | 0 | 0 | 0 | 111.5 | Q92 L95 A96 I99 P103 Q104 D108 Y109 E110 I124 | Q92-I106 HydrophobicContact CB-CG2 4.19Å; Q92-I106 HydrophobicContact CG-CG2 4.09Å; L95-I106 HydrophobicContact CD2-CD1 4.14Å; L95-I106 HydrophobicContact CD2-CG2 4.08Å; L95-I106 HydrophobicContact CG-CD1 4.21Å; A96-I106 HydrophobicContact CB-CG1 3.87Å; I99-I106 HydrophobicContact CD1-CD1 3.52Å; I99-I106 HydrophobicContact CD1-CG1 4.45Å; I99-I106 HydrophobicContact CG1-CD1 4.47Å; P103-I106 PolarHBondContact O-N 2.9Å; P103-I106 VanDerWaalsContact O-N 3.15Å; Q104-I106 PolarHBondContact O-N 3.28Å; I106-D108 VanDerWaalsContact C-N 3.34Å; I106-D108 PolarHBondContact O-N 3.47Å; I106-Y109 PolarHBondContact O-N 3.41Å; I106-E110 HydrophobicContact CG2-CG 4.38Å; I106-E110 PolarHBondContact O-N 3.45Å; I106-I124 HydrophobicContact CD1-CD1 3.86Å; I106-I124 HydrophobicContact CD1-CG1 4.12Å |
| 107 | A | 94.8 | Very high | 92.2 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P103 Q104 V105 Y109 E110 C111 | P103-A107 PolarHBondContact O-N 3.42Å; P103-A107 VanDerWaalsContact O-N 3.08Å; Q104-A107 PolarHBondContact O-N 2.92Å; V105-A107 VanDerWaalsContact C-N 3.3Å; V105-A107 PolarHBondContact O-N 2.75Å; A107-Y109 VanDerWaalsContact C-N 3.32Å; A107-Y109 PolarHBondContact O-N 3.41Å; A107-E110 PolarHBondContact O-N 2.89Å; A107-C111 WeakPolarHBondContact O-CB 3.41Å; A107-C111 PolarHBondContact O-N 3.18Å; A107-C111 PolarHBondContact O-SG 2.83Å |
| 108 | D | 93.8 | Very high | 91.9 | Very high | 53 Ų | 53 | 60.3 Ų | 60.3 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -32.1 | 178.4 | -66.9 | -22.4 | 0 | 0 | 0 | 112.4 | Q104 V105 I106 G112 K113 A114 | Q104-D108 PolarHBondContact NE2-OD1 2.74Å; Q104-D108 VanDerWaalsContact O-CG 3.25Å; Q104-D108 PolarHBondContact O-N 2.95Å; V105-D108 PolarHBondContact O-N 2.96Å; V105-D108 VanDerWaalsContact O-N 3.16Å; I106-D108 VanDerWaalsContact C-N 3.34Å; I106-D108 PolarHBondContact O-N 3.47Å; D108-G112 PolarHBondContact O-N 3.39Å; D108-K113 PolarHBondContact O-N 3.33Å; D108-A114 HydrophobicContact CB-CB 4.08Å; D108-A114 PolarHBondContact O-N 2.92Å; D108-A114 VanDerWaalsContact O-N 3.08Å |
| 109 | Y | 93.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.1 | -44.8 | 173.6 | -88.5 | -96.4 | 0 | 0 | 0 | 112 | V73 V105 I106 A107 C111 G112 A114 I115 N117 V120 M121 | V73-Y109 HydrophobicContact CG2-CD1 3.78Å; V73-Y109 HydrophobicContact CG2-CE1 3.8Å; V105-Y109 HydrophobicContact CG1-CD2 3.66Å; V105-Y109 HydrophobicContact CG1-CE2 3.53Å; V105-Y109 VanDerWaalsContact O-CD2 3.22Å; V105-Y109 WeakPolarHBondContact O-CD2 3.37Å; V105-Y109 PolarHBondContact O-N 2.9Å; I106-Y109 PolarHBondContact O-N 3.41Å; A107-Y109 VanDerWaalsContact C-N 3.32Å; A107-Y109 PolarHBondContact O-N 3.41Å; Y109-C111 PolarHBondContact O-N 3.23Å; Y109-G112 PolarHBondContact O-N 3.02Å; Y109-A114 HydrophobicContact CD1-CB 4.2Å; Y109-A114 HydrophobicContact CD2-CB 3.4Å; Y109-A114 HydrophobicContact CE1-CB 4.32Å; Y109-A114 HydrophobicContact CE2-CB 3.56Å; Y109-A114 HydrophobicContact CG-CB 3.76Å; Y109-I115 PolarHBondContact OH-O 2.87Å; Y109-N117 WeakPolarHBondContact OH-CB 3.38Å; Y109-N117 PolarHBondContact OH-N 3.11Å; Y109-V120 HydrophobicContact CE2-CG1 3.99Å; Y109-M121 HydrophobicContact CE1-CG 3.87Å |
| 110 | E | 91.5 | Very high | 91.6 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62 | -33 | 175.3 | -72.7 | -173.4 | -178.2 | 0 | 0 | 111.4 | I81 Q82 R85 Q92 I106 A107 | I81-E110 HydrophobicContact CB-CG 4.35Å; I81-E110 HydrophobicContact CG2-CG 3.86Å; Q82-E110 HydrophobicContact CB-CG 4.41Å; R85-E110 IonicContact CZ-OE1 3.9Å; R85-E110 IonicContact NE-OE1 3.89Å; R85-E110 PolarHBondContact NE-OE1 2.91Å; R85-E110 IonicContact NH2-OE1 2.71Å; R85-E110 IonicContact NH2-OE2 3.09Å; Q92-E110 PolarHBondContact NE2-OE2 3.16Å; I106-E110 HydrophobicContact CG2-CG 4.38Å; I106-E110 PolarHBondContact O-N 3.45Å; A107-E110 PolarHBondContact O-N 2.89Å |
| 111 | C | 91.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 51% | 0.514 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -3.6 | 177 | -62.8 | 0 | 0 | 0 | 0 | 115 | A107 Y109 K113 | A107-C111 WeakPolarHBondContact O-CB 3.41Å; A107-C111 PolarHBondContact O-N 3.18Å; A107-C111 PolarHBondContact O-SG 2.83Å; Y109-C111 PolarHBondContact O-N 3.23Å; C111-K113 HydrophobicContact CB-CD 4.43Å; C111-K113 HydrophobicContact CB-CG 4.2Å; C111-K113 PolarHBondContact O-N 2.78Å |
| 112 | G | 88 | Confident | 91.4 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 15 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | R72 V73 D108 Y109 | R72-G112 WeakPolarHBondContact CB-O 3.36Å; V73-G112 WeakPolarHBondContact O-CA 3.27Å; D108-G112 PolarHBondContact O-N 3.39Å; Y109-G112 PolarHBondContact O-N 3.02Å |
| 113 | K | 87.5 | Confident | 91.3 | Very high | 135 Ų | 135 | 44 Ų | 44 | 59% | 0.587 | 24% | 0.241 | S | C | * | . | trans | -85.4 | -26.4 | 178.6 | -67.3 | -177.4 | -177.9 | 179 | 0 | 112.2 | R72 D108 C111 | R72-K113 PolarHBondContact NH1-O 2.88Å; D108-K113 PolarHBondContact O-N 3.33Å; C111-K113 HydrophobicContact CB-CD 4.43Å; C111-K113 HydrophobicContact CB-CG 4.2Å; C111-K113 PolarHBondContact O-N 2.78Å | ||
| 114 | A | 88.3 | Confident | 91.2 | Very high | 13 Ų | 13 | 41 Ų | 41 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -67.5 | 149.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R72 V73 D108 Y109 | R72-A114 WeakPolarHBondContact CA-O 2.97Å; V73-A114 HydrophobicContact CG2-CB 4.39Å; V73-A114 WeakPolarHBondContact CG2-O 3.36Å; V73-A114 PolarHBondContact N-O 3.08Å; D108-A114 HydrophobicContact CB-CB 4.08Å; D108-A114 PolarHBondContact O-N 2.92Å; D108-A114 VanDerWaalsContact O-N 3.08Å; Y109-A114 HydrophobicContact CD1-CB 4.2Å; Y109-A114 HydrophobicContact CD2-CB 3.4Å; Y109-A114 HydrophobicContact CE1-CB 4.32Å; Y109-A114 HydrophobicContact CE2-CB 3.56Å; Y109-A114 HydrophobicContact CG-CB 3.76Å |
| 115 | I | 88.9 | Confident | 91.1 | Very high | 78 Ų | 78 | 35.8 Ų | 35.8 | 40% | 0.4 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -78.5 | 127.1 | 164.4 | -63 | 174.5 | 0 | 0 | 0 | 107.3 | H70 Y109 N117 | H70-I115 HydrophobicContact CB-CD1 3.94Å; H70-I115 HydrophobicContact CB-CG1 4.19Å; Y109-I115 PolarHBondContact OH-O 2.87Å; I115-N117 PolarHBondContact O-N 2.87Å |
| 116 | P | 87.8 | Confident | 91 | Very high | 42 Ų | 42 | 42 Ų | 42 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 120.8 | -176.9 | 21.8 | -29.6 | 0 | 0 | 0 | 111.3 | Q71 V73 M121 | Q71-P116 WeakPolarHBondContact O-CD 3.22Å; V73-P116 HydrophobicContact CG2-CB 3.91Å; V73-P116 HydrophobicContact CG2-CG 4.47Å; P116-M121 HydrophobicContact CB-CE 3.64Å; P116-M121 HydrophobicContact CB-SD 4.07Å |
| 117 | N | 90.1 | Very high | 90.9 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 10% | 0.102 | 22% | 0.22 | C | C | . | . | trans | -111.8 | 118.5 | 170 | -176.4 | -28.5 | 0 | 0 | 0 | 109.6 | Y109 I115 Q119 V120 M121 | Y109-N117 WeakPolarHBondContact OH-CB 3.38Å; Y109-N117 PolarHBondContact OH-N 3.11Å; I115-N117 PolarHBondContact O-N 2.87Å; N117-Q119 PolarHBondContact O-N 3.12Å; N117-Q119 VanDerWaalsContact O-N 3.17Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.38Å; N117-Q119 PolarHBondContact OD1-N 2.97Å; N117-V120 HydrophobicContact CB-CB 4.27Å; N117-V120 HydrophobicContact CB-CG2 4.12Å; N117-V120 PolarHBondContact O-N 3.17Å; N117-V120 VanDerWaalsContact O-N 3.15Å; N117-M121 WeakPolarHBondContact O-CG 3.46Å; N117-M121 PolarHBondContact O-N 3.43Å | ||
| 118 | N | 89.2 | Confident | 90.7 | Very high | 95 Ų | 95 | 41.8 Ų | 41.8 | 51% | 0.508 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.1 | -30.7 | -177.7 | -78.7 | -0.5 | 0 | 0 | 0 | 113.9 | M121 G122 | N118-M121 WeakPolarHBondContact OD1-CE 3.05Å; N118-G122 PolarHBondContact O-N 3.48Å |
| 119 | Q | 89.6 | Confident | 90.4 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 32% | 0.318 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.5 | -46.7 | 178.1 | -171.8 | -178.5 | -8.6 | 0 | 0 | 111 | Q51 N117 G122 K123 | Q51-Q119 PolarHBondContact O-NE2 2.77Å; N117-Q119 PolarHBondContact O-N 3.12Å; N117-Q119 VanDerWaalsContact O-N 3.17Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.38Å; N117-Q119 PolarHBondContact OD1-N 2.97Å; Q119-G122 PolarHBondContact O-N 2.71Å; Q119-K123 WeakPolarHBondContact O-CG 3.42Å; Q119-K123 PolarHBondContact O-N 3.44Å |
| 120 | V | 91.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.4 | -48.8 | 178 | 177.9 | 0 | 0 | 0 | 0 | 110 | I99 E101 V105 Y109 N117 G122 K123 I124 | I99-V120 HydrophobicContact CD1-CG1 4.46Å; E101-V120 HydrophobicContact CG-CG1 4.49Å; V105-V120 HydrophobicContact CG1-CG1 4.36Å; Y109-V120 HydrophobicContact CE2-CG1 3.99Å; N117-V120 HydrophobicContact CB-CB 4.27Å; N117-V120 HydrophobicContact CB-CG2 4.12Å; N117-V120 PolarHBondContact O-N 3.17Å; N117-V120 VanDerWaalsContact O-N 3.15Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 3.21Å; V120-K123 WeakPolarHBondContact O-CB 3.29Å; V120-K123 PolarHBondContact O-N 3.2Å; V120-I124 HydrophobicContact CG1-CD1 3.96Å; V120-I124 HydrophobicContact CG1-CG1 4.48Å; V120-I124 WeakPolarHBondContact O-CG1 3.26Å; V120-I124 PolarHBondContact O-N 3.1Å |
| 121 | M | 91.1 | Very high | 90.1 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.4 | -45.1 | 176 | -69.5 | -169.7 | -71.6 | 0 | 0 | 111.5 | Y109 P116 N117 N118 K123 I124 E125 R133 | Y109-M121 HydrophobicContact CE1-CG 3.87Å; P116-M121 HydrophobicContact CB-CE 3.64Å; P116-M121 HydrophobicContact CB-SD 4.07Å; N117-M121 WeakPolarHBondContact O-CG 3.46Å; N117-M121 PolarHBondContact O-N 3.43Å; N118-M121 WeakPolarHBondContact OD1-CE 3.05Å; M121-K123 VanDerWaalsContact C-N 3.3Å; M121-K123 PolarHBondContact O-N 3.18Å; M121-I124 PolarHBondContact O-N 3.19Å; M121-E125 VanDerWaalsContact O-CG 3.27Å; M121-E125 WeakPolarHBondContact O-CG 3.44Å; M121-E125 PolarHBondContact O-N 3.41Å; M121-R133 HydrophobicContact CB-CG 4.35Å; M121-R133 HydrophobicContact CE-CG 4.16Å; M121-R133 HydrophobicContact SD-CG 4.14Å |
| 122 | G | 91.4 | Very high | 89.9 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.6 | -24.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | N118 Q119 V120 R126 | N118-G122 PolarHBondContact O-N 3.48Å; Q119-G122 PolarHBondContact O-N 2.71Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 3.21Å; G122-R126 WeakPolarHBondContact O-CG 3.44Å; G122-R126 PolarHBondContact O-NE 3.23Å |
| 123 | K | 92.4 | Very high | 89.8 | Confident | 34 Ų | 34 | 43.8 Ų | 43.8 | 15% | 0.148 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.9 | -44.3 | 170 | -69.9 | 171.5 | 174.9 | -172.7 | 0 | 110.7 | I99 E101 Q119 V120 M121 R126 A127 | I99-K123 HydrophobicContact CB-CB 3.95Å; I99-K123 HydrophobicContact CB-CD 4.29Å; I99-K123 HydrophobicContact CG2-CB 3.98Å; I99-K123 WeakPolarHBondContact O-CD 3.41Å; I99-K123 PolarHBondContact O-NZ 3.32Å; I99-K123 VanDerWaalsContact O-NZ 3.12Å; E101-K123 IonicContact OE1-NZ 2.75Å; E101-K123 PolarHBondContact OE1-NZ 3.02Å; Q119-K123 WeakPolarHBondContact O-CG 3.42Å; Q119-K123 PolarHBondContact O-N 3.44Å; V120-K123 WeakPolarHBondContact O-CB 3.29Å; V120-K123 PolarHBondContact O-N 3.2Å; M121-K123 VanDerWaalsContact C-N 3.3Å; M121-K123 PolarHBondContact O-N 3.18Å; K123-R126 PolarHBondContact O-N 3.49Å; K123-A127 PolarHBondContact O-N 3.01Å |
| 124 | I | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 178.3 | -61.7 | 168.7 | 0 | 0 | 0 | 110.1 | I81 I99 I106 V120 M121 R126 A127 I128 L132 | I81-I124 HydrophobicContact CD1-CD1 4.43Å; I81-I124 HydrophobicContact CG1-CG2 4.14Å; I81-I124 HydrophobicContact CG2-CG2 4.14Å; I99-I124 HydrophobicContact CD1-CD1 4.4Å; I99-I124 HydrophobicContact CD1-CG1 3.77Å; I106-I124 HydrophobicContact CD1-CD1 3.86Å; I106-I124 HydrophobicContact CD1-CG1 4.12Å; V120-I124 HydrophobicContact CG1-CD1 3.96Å; V120-I124 HydrophobicContact CG1-CG1 4.48Å; V120-I124 WeakPolarHBondContact O-CG1 3.26Å; V120-I124 PolarHBondContact O-N 3.1Å; M121-I124 PolarHBondContact O-N 3.19Å; I124-R126 VanDerWaalsContact C-N 3.26Å; I124-R126 PolarHBondContact O-N 2.96Å; I124-A127 WeakPolarHBondContact O-CA 3.24Å; I124-A127 WeakPolarHBondContact O-CB 3.31Å; I124-A127 PolarHBondContact O-N 2.95Å; I124-I128 HydrophobicContact CG2-CD1 3.99Å; I124-I128 HydrophobicContact CG2-CG1 4.41Å; I124-I128 HydrophobicContact CG2-CG2 4.23Å; I124-I128 WeakPolarHBondContact O-CG1 3.38Å; I124-I128 PolarHBondContact O-N 3.31Å; I124-L132 HydrophobicContact CB-CD1 3.9Å; I124-L132 HydrophobicContact CG2-CD1 3.55Å |
| 125 | E | 92 | Very high | 88.9 | Confident | 11 Ų | 11 | 50 Ų | 50 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -49.9 | -45.8 | 177.5 | -75.3 | 174.1 | 165.3 | 0 | 0 | 112.1 | M121 G129 L130 L132 R133 L141 | M121-E125 VanDerWaalsContact O-CG 3.27Å; M121-E125 WeakPolarHBondContact O-CG 3.44Å; M121-E125 PolarHBondContact O-N 3.41Å; E125-G129 VanDerWaalsContact O-CA 3.22Å; E125-G129 WeakPolarHBondContact O-CA 3.14Å; E125-G129 PolarHBondContact O-N 3.48Å; E125-L130 VanDerWaalsContact CA-O 3.25Å; E125-L130 WeakPolarHBondContact CA-O 3.47Å; E125-L130 WeakPolarHBondContact CB-O 3.47Å; E125-L130 WeakPolarHBondContact CG-O 3.27Å; E125-L130 PolarHBondContact O-N 3.5Å; E125-L132 HydrophobicContact CG-CB 3.72Å; E125-L132 HydrophobicContact CG-CD1 3.96Å; E125-L132 HydrophobicContact CG-CG 3.72Å; E125-L132 PolarHBondContact OE1-N 3.04Å; E125-R133 WeakPolarHBondContact OE1-CG 3.5Å; E125-R133 IonicContact OE1-CZ 3.87Å; E125-R133 PolarHBondContact OE1-N 3.44Å; E125-R133 IonicContact OE1-NE 2.97Å; E125-R133 PolarHBondContact OE1-NE 3.1Å; E125-R133 IonicContact OE1-NH2 3.92Å; E125-R133 IonicContact OE2-CZ 3.36Å; E125-R133 IonicContact OE2-NE 3.22Å; E125-R133 PolarHBondContact OE2-NE 2.95Å; E125-R133 IonicContact OE2-NH2 3.89Å; E125-R133 PolarHBondContact OE2-NH2 3.18Å; E125-L141 HydrophobicContact CB-CD2 4.43Å |
| 126 | R | 91.2 | Very high | 88.6 | Confident | 171 Ų | 171 | 49.9 Ų | 49.9 | 65% | 0.645 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -70.6 | -34.6 | 178 | -72.6 | 179.5 | -72.7 | 136.6 | -6.2 | 112.8 | G122 K123 I124 L141 | G122-R126 WeakPolarHBondContact O-CG 3.44Å; G122-R126 PolarHBondContact O-NE 3.23Å; K123-R126 PolarHBondContact O-N 3.49Å; I124-R126 VanDerWaalsContact C-N 3.26Å; I124-R126 PolarHBondContact O-N 2.96Å; R126-L141 HydrophobicContact CG-CD2 4.04Å |
| 127 | A | 91.4 | Very high | 88.4 | Confident | 8 Ų | 8 | 50 Ų | 50 | 7% | 0.066 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.3 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K88 L95 K98 I99 K123 I124 | K88-A127 WeakPolarHBondContact CD-O 3.42Å; K88-A127 PolarHBondContact NZ-O 3.22Å; L95-A127 HydrophobicContact CD1-CB 3.64Å; K98-A127 HydrophobicContact CD-CB 4.41Å; I99-A127 HydrophobicContact CG2-CB 3.93Å; K123-A127 PolarHBondContact O-N 3.01Å; I124-A127 WeakPolarHBondContact O-CA 3.24Å; I124-A127 WeakPolarHBondContact O-CB 3.31Å; I124-A127 PolarHBondContact O-N 2.95Å |
| 128 | I | 90.6 | Very high | 87.8 | Confident | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -92.1 | -16.3 | -178.5 | 73.4 | 179.6 | 0 | 0 | 0 | 113.6 | K88 L95 I124 L130 L132 | K88-I128 VanDerWaalsContact CE-C 3.47Å; K88-I128 WeakPolarHBondContact CE-O 3.43Å; K88-I128 PolarHBondContact NZ-O 2.97Å; L95-I128 HydrophobicContact CD1-CG2 4.14Å; L95-I128 HydrophobicContact CD2-CG2 4.42Å; I124-I128 HydrophobicContact CG2-CD1 3.99Å; I124-I128 HydrophobicContact CG2-CG1 4.41Å; I124-I128 HydrophobicContact CG2-CG2 4.23Å; I124-I128 WeakPolarHBondContact O-CG1 3.38Å; I124-I128 PolarHBondContact O-N 3.31Å; I128-L130 VanDerWaalsContact C-N 3.32Å; I128-L130 HydrophobicContact CD1-CB 4.07Å; I128-L130 HydrophobicContact CD1-CD1 4.4Å; I128-L130 HydrophobicContact CG1-CB 4.02Å; I128-L130 HydrophobicContact CG1-CG 4.34Å; I128-L132 HydrophobicContact CD1-CD1 4.11Å; I128-L132 HydrophobicContact CD1-CD2 4.07Å; I128-L132 HydrophobicContact CD1-CG 4.3Å |
| 129 | G | 88.1 | Confident | 87.7 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 26% | 0.258 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 20.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E125 L141 | E125-G129 VanDerWaalsContact O-CA 3.22Å; E125-G129 WeakPolarHBondContact O-CA 3.14Å; E125-G129 PolarHBondContact O-N 3.48Å; G129-L141 PolarHBondContact O-N 3.24Å |
| 130 | L | 90.1 | Very high | 87.4 | Confident | 31 Ų | 31 | 51.2 Ų | 51.2 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -121.4 | 149.1 | 177.9 | -57.6 | 177 | 0 | 0 | 0 | 109.3 | V80 E125 I128 L139 | V80-L130 HydrophobicContact CG1-CB 4.27Å; V80-L130 HydrophobicContact CG1-CD1 3.92Å; E125-L130 VanDerWaalsContact CA-O 3.25Å; E125-L130 WeakPolarHBondContact CA-O 3.47Å; E125-L130 WeakPolarHBondContact CB-O 3.47Å; E125-L130 WeakPolarHBondContact CG-O 3.27Å; E125-L130 PolarHBondContact O-N 3.5Å; I128-L130 VanDerWaalsContact C-N 3.32Å; I128-L130 HydrophobicContact CD1-CB 4.07Å; I128-L130 HydrophobicContact CD1-CD1 4.4Å; I128-L130 HydrophobicContact CG1-CB 4.02Å; I128-L130 HydrophobicContact CG1-CG 4.34Å; L130-L139 CarbonylContact C-O 3.57Å; L130-L139 WeakPolarHBondContact CA-O 3.36Å |
| 131 | K | 90.2 | Very high | 86.8 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 21% | 0.213 | 29% | 0.286 | C | S | . | . | trans | -77 | 134.6 | 171.9 | -70.6 | 176.9 | -179.1 | 167.6 | 0 | 110 | D136 G138 L139 L141 | K131-D136 WeakPolarHBondContact CB-O 3.42Å; K131-D136 HydrophobicContact CD-CB 3.79Å; K131-D136 IonicContact NZ-OD2 2.94Å; K131-D136 PolarHBondContact NZ-OD2 3.16Å; K131-D136 VanDerWaalsContact NZ-OD2 3.09Å; K131-G138 PolarHBondContact O-N 3.2Å; K131-L139 PolarHBondContact N-O 2.96Å; K131-L141 HydrophobicContact CG-CD1 3.8Å | ||
| 132 | L | 86.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | trans | -118.1 | 2.3 | 179.1 | -61.6 | 177 | 0 | 0 | 0 | 112.1 | V77 V80 I81 I124 E125 I128 | V77-L132 HydrophobicContact CG1-CB 4.34Å; V77-L132 HydrophobicContact CG1-CD2 4.33Å; V80-L132 HydrophobicContact CB-CD2 4.04Å; V80-L132 HydrophobicContact CG1-CD2 3.53Å; I81-L132 HydrophobicContact CD1-CD1 4.01Å; I81-L132 HydrophobicContact CG1-CD1 3.58Å; I81-L132 HydrophobicContact CG1-CD2 3.72Å; I81-L132 HydrophobicContact CG1-CG 4.31Å; I124-L132 HydrophobicContact CB-CD1 3.9Å; I124-L132 HydrophobicContact CG2-CD1 3.55Å; E125-L132 HydrophobicContact CG-CB 3.72Å; E125-L132 HydrophobicContact CG-CD1 3.96Å; E125-L132 HydrophobicContact CG-CG 3.72Å; E125-L132 PolarHBondContact OE1-N 3.04Å; I128-L132 HydrophobicContact CD1-CD1 4.11Å; I128-L132 HydrophobicContact CD1-CD2 4.07Å; I128-L132 HydrophobicContact CD1-CG 4.3Å | ||
| 133 | R | 84.7 | Confident | 84.2 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 38% | 0.381 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -134.6 | 149.9 | -174.2 | -64 | 177.9 | -67.5 | 166.8 | -0.9 | 110.9 | M121 E125 | M121-R133 HydrophobicContact CB-CG 4.35Å; M121-R133 HydrophobicContact CE-CG 4.16Å; M121-R133 HydrophobicContact SD-CG 4.14Å; E125-R133 WeakPolarHBondContact OE1-CG 3.5Å; E125-R133 IonicContact OE1-CZ 3.87Å; E125-R133 PolarHBondContact OE1-N 3.44Å; E125-R133 IonicContact OE1-NE 2.97Å; E125-R133 PolarHBondContact OE1-NE 3.1Å; E125-R133 IonicContact OE1-NH2 3.92Å; E125-R133 IonicContact OE2-CZ 3.36Å; E125-R133 IonicContact OE2-NE 3.22Å; E125-R133 PolarHBondContact OE2-NE 2.95Å; E125-R133 IonicContact OE2-NH2 3.89Å; E125-R133 PolarHBondContact OE2-NH2 3.18Å |
| 134 | G | 81.6 | Confident | 82.5 | Confident | 63 Ų | 63 | 72.1 Ų | 72.1 | 65% | 0.649 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 85.4 | -156.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I137 | G134-I137 WeakPolarHBondContact O-CG1 3.33Š|
| 135 | K | 76.6 | Confident | 80.5 | Confident | 214 Ų | 214 | 77.6 Ų | 77.6 | 93% | 0.93 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -82.1 | -20.6 | -177.7 | -62.5 | -176.3 | 179.1 | -174.5 | 0 | 113.3 | I137 | K135-I137 PolarHBondContact O-N 2.73Š|
| 136 | D | 81.9 | Confident | 78.4 | Confident | 76 Ų | 76 | 86.6 Ų | 86.6 | 41% | 0.406 | 46% | 0.458 | S | S | . | . | trans | -98.2 | 43 | -171.9 | -63.4 | -16.5 | 0 | 0 | 0 | 112.3 | K131 G138 L139 | K131-D136 WeakPolarHBondContact CB-O 3.42Å; K131-D136 HydrophobicContact CD-CB 3.79Å; K131-D136 IonicContact NZ-OD2 2.94Å; K131-D136 PolarHBondContact NZ-OD2 3.16Å; K131-D136 VanDerWaalsContact NZ-OD2 3.09Å; D136-G138 PolarHBondContact O-N 2.81Å; D136-L139 HydrophobicContact CB-CB 4.3Å; D136-L139 HydrophobicContact CB-CD1 3.55Å; D136-L139 HydrophobicContact CB-CG 4.47Å; D136-L139 PolarHBondContact O-N 3.08Å | ||
| 137 | I | 82.6 | Confident | 76.3 | Confident | 46 Ų | 46 | 88.3 Ų | 88.3 | 24% | 0.236 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 133.3 | -176.9 | -64.5 | 170.1 | 0 | 0 | 0 | 109.4 | V77 V80 G134 K135 L139 | V77-I137 HydrophobicContact CG2-CD1 4.01Å; V77-I137 HydrophobicContact CG2-CG2 4.24Å; V80-I137 HydrophobicContact CG2-CG2 4.02Å; G134-I137 WeakPolarHBondContact O-CG1 3.33Å; K135-I137 PolarHBondContact O-N 2.73Å; I137-L139 VanDerWaalsContact C-N 3.28Å; I137-L139 PolarHBondContact O-N 3.34Å |
| 138 | G | 79.2 | Confident | 73.8 | Confident | 30 Ų | 30 | 101.1 Ų | 101.1 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -9.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K131 D136 | K131-G138 PolarHBondContact O-N 3.2Å; D136-G138 PolarHBondContact O-N 2.81Å |
| 139 | L | 85.4 | Confident | 72.9 | Confident | 89 Ų | 89 | 105.9 Ų | 105.9 | 47% | 0.466 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -73.4 | 152.3 | 173.3 | -77.9 | 161.9 | 0 | 0 | 0 | 111.4 | L130 K131 D136 I137 L141 | L130-L139 CarbonylContact C-O 3.57Å; L130-L139 WeakPolarHBondContact CA-O 3.36Å; K131-L139 PolarHBondContact N-O 2.96Å; D136-L139 HydrophobicContact CB-CB 4.3Å; D136-L139 HydrophobicContact CB-CD1 3.55Å; D136-L139 HydrophobicContact CB-CG 4.47Å; D136-L139 PolarHBondContact O-N 3.08Å; I137-L139 VanDerWaalsContact C-N 3.28Å; I137-L139 PolarHBondContact O-N 3.34Å; L139-L141 PolarHBondContact O-N 3.34Å |
| 140 | P | 83.4 | Confident | 72.1 | Confident | 87 Ų | 87 | 110.1 Ų | 110.1 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | B | Isolated β-bridge | trans | -54 | 137.6 | 173.7 | -24 | 33.2 | 0 | 0 | 0 | 111.7 | E142 | P140-E142 PolarHBondContact O-N 3.1Å |
| 141 | L | 80.1 | Confident | 71.1 | Confident | 60 Ų | 60 | 114.5 Ų | 114.5 | 31% | 0.314 | 59% | 0.586 | S | S | . | * | trans | -73.3 | 101 | 172.2 | -171.3 | 73.7 | 0 | 0 | 0 | 108.1 | E125 R126 G129 K131 L139 A143 | E125-L141 HydrophobicContact CB-CD2 4.43Å; R126-L141 HydrophobicContact CG-CD2 4.04Å; G129-L141 PolarHBondContact O-N 3.24Å; K131-L141 HydrophobicContact CG-CD1 3.8Å; L139-L141 PolarHBondContact O-N 3.34Å; L141-A143 PolarHBondContact O-N 3.42Å | ||
| 142 | E | 68.6 | Low | 70 | Confident | 159 Ų | 159 | 118.4 Ų | 118.4 | 74% | 0.743 | 61% | 0.608 | S | S | * | * | trans | -42.3 | 110.7 | 169.2 | -71 | -90.6 | 128.4 | 0 | 0 | 109.6 | P140 K144 | P140-E142 PolarHBondContact O-N 3.1Å; E142-K144 VanDerWaalsContact C-N 3.34Å; E142-K144 PolarHBondContact O-N 3.19Å | ||
| 143 | A | 59.6 | Low | 68.9 | Low | 93 Ų | 93 | 125.5 Ų | 125.5 | 77% | 0.769 | 65% | 0.645 | S | S | * | * | trans | -68.1 | 95.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | L141 P145 | L141-A143 PolarHBondContact O-N 3.42Å; A143-P145 WeakPolarHBondContact O-CD 3.37Å | ||
| 144 | K | 57.1 | Low | 67.9 | Low | 191 Ų | 191 | 127.1 Ų | 127.1 | 83% | 0.83 | 66% | 0.663 | S | S | * | * | trans | -52.6 | 121.5 | 169.7 | -75.7 | -172.9 | 178.5 | -179.4 | 0 | 107 | E142 K146 | E142-K144 VanDerWaalsContact C-N 3.34Å; E142-K144 PolarHBondContact O-N 3.19Å; K144-K146 PolarHBondContact O-N 3.41Å | ||
| 145 | P | 50.1 | Low | 66.9 | Low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 66% | 0.664 | S | S | * | * | trans | -56.4 | 129.3 | 179.7 | 21.3 | -31 | 0 | 0 | 0 | 107.5 | A143 K147 | A143-P145 WeakPolarHBondContact O-CD 3.37Å; P145-K147 VanDerWaalsContact C-N 3.34Å; P145-K147 PolarHBondContact O-N 3.5Å | ||
| 146 | K | 48.2 | Very low | 66.2 | Low | 201 Ų | 201 | 125.4 Ų | 125.4 | 87% | 0.874 | 64% | 0.643 | S | S | * | * | trans | -57.3 | 103.1 | 171.9 | -74 | -177.4 | 178.9 | 177.7 | 0 | 106.2 | K144 K148 | K144-K146 PolarHBondContact O-N 3.41Å; K146-K148 PolarHBondContact O-N 3.48Å | ||
| 147 | K | 45.1 | Very low | 64.9 | Low | 206 Ų | 206 | 129.5 Ų | 129.5 | 90% | 0.896 | 66% | 0.663 | S | S | * | * | trans | -59.7 | 109.2 | 166 | -79.8 | -172 | 174.8 | -175.3 | 0 | 105.7 | P145 | P145-K147 VanDerWaalsContact C-N 3.34Å; P145-K147 PolarHBondContact O-N 3.5Å | ||
| 148 | K | 38.9 | Very low | 63.2 | Low | 277 Ų | 277 | 137.1 Ų | 137.1 | 100% | 1.204 | 70% | 0.702 | S | S | * | * | trans | -60.5 | 0 | 164.4 | -76.7 | -174.8 | 176 | -178.9 | 0 | 108.9 | K146 | K146-K148 PolarHBondContact O-N 3.48Š|
Retrieved 148 of 148 residues in 49.2 ms
(Link to these results)