| 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 | 55.6 | Low | 60.7 | Low | 245 Ų | 245 | 169.7 Ų | 169.7 | 100% | 1.207 | 82% | 0.816 | S | S | * | * | 0 | 107.7 | 0 | -75 | 166 | 74 | 0 | 0 | 108.5 | |||||
| 2 | I | 57.5 | Low | 60.3 | Low | 171 Ų | 171 | 169.9 Ų | 169.9 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -94.8 | 122 | -170.8 | -62.4 | 167.5 | 0 | 0 | 0 | 109.2 | K4 | I2-K4 PolarHBondContact O-N 2.87Š| ||
| 3 | K | 56.5 | Low | 60.2 | Low | 202 Ų | 202 | 160.6 Ų | 160.6 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | -61.5 | 118 | 176 | -88.8 | 172.4 | 170.3 | 173.6 | 0 | 110.4 | S5 | K3-S5 PolarHBondContact O-N 2.77Š| ||
| 4 | K | 64.5 | Low | 60.1 | Low | 212 Ų | 212 | 153.8 Ų | 153.8 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | trans | -79 | 99.8 | 164.7 | -91.9 | 178.2 | 174.1 | 175.5 | 0 | 109.2 | I2 | I2-K4 PolarHBondContact O-N 2.87Š| ||
| 5 | S | 66.9 | Low | 59.9 | Low | 109 Ų | 109 | 152.8 Ų | 152.8 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -74.4 | 126.9 | 162.3 | 48.1 | 0 | 0 | 0 | 0 | 109.5 | K3 | K3-S5 PolarHBondContact O-N 2.77Š| ||
| 6 | R | 54.4 | Low | 59.7 | Low | 247 Ų | 247 | 153.6 Ų | 153.6 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | trans | -66.8 | 128.5 | 176 | -74.7 | 176.8 | 171.8 | 172.1 | -3.4 | 110.5 | ||||
| 7 | T | 66.5 | Low | 59.6 | Low | 122 Ų | 122 | 155.1 Ų | 155.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -104.5 | 96.5 | 159.3 | -37.1 | 0 | 0 | 0 | 0 | 107.3 | Y9 | T7-Y9 HydrophobicContact CG2-CD2 4.23Å; T7-Y9 HydrophobicContact CG2-CE2 4.46Å; T7-Y9 PolarHBondContact O-N 3.02Å | ||
| 8 | Y | 61.9 | Low | 59.4 | Low | 210 Ų | 210 | 153.4 Ų | 153.4 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -80.6 | 98.3 | 173 | -167.1 | -96.7 | 0 | 0 | 0 | 107.1 | P10 | Y8-P10 VanDerWaalsContact O-CD 3.27Å; Y8-P10 WeakPolarHBondContact O-CD 3.41Å | ||
| 9 | Y | 61.1 | Low | 59.2 | Low | 188 Ų | 188 | 151.7 Ų | 151.7 | 74% | 0.737 | 75% | 0.745 | S | S | * | * | trans | -77.6 | 113.9 | 170.3 | -112.3 | -93.4 | 0 | 0 | 0 | 107.7 | T7 S11 | T7-Y9 HydrophobicContact CG2-CD2 4.23Å; T7-Y9 HydrophobicContact CG2-CE2 4.46Å; T7-Y9 PolarHBondContact O-N 3.02Å; Y9-S11 PolarHBondContact O-N 2.96Å; Y9-S11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | P | 61.9 | Low | 59.1 | Low | 73 Ų | 73 | 149.7 Ų | 149.7 | 47% | 0.474 | 74% | 0.744 | S | S | . | * | trans | -65.7 | 114.1 | 169.5 | 26.5 | -29.8 | 0 | 0 | 0 | 107.4 | Y8 F12 | Y8-P10 VanDerWaalsContact O-CD 3.27Å; Y8-P10 WeakPolarHBondContact O-CD 3.41Å; P10-F12 PolarHBondContact O-N 3.18Å | ||
| 11 | S | 60.5 | Low | 59.2 | Low | 88 Ų | 88 | 146.1 Ų | 146.1 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | trans | -51.6 | 106.5 | 175.2 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | Y9 G13 A14 | Y9-S11 PolarHBondContact O-N 2.96Å; Y9-S11 VanDerWaalsContact O-N 3.09Å; S11-G13 PolarHBondContact O-N 2.82Å; S11-A14 WeakPolarHBondContact O-CB 3.38Å; S11-A14 PolarHBondContact O-N 2.82Å | ||
| 12 | F | 56.5 | Low | 59.2 | Low | 172 Ų | 172 | 139.8 Ų | 139.8 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -53 | -19.4 | 171.1 | -93 | -93.5 | 0 | 0 | 0 | 112.5 | P10 A14 | P10-F12 PolarHBondContact O-N 3.18Å; F12-A14 VanDerWaalsContact C-N 3.31Å; F12-A14 PolarHBondContact O-N 3.06Å |
| 13 | G | 58.7 | Low | 59.2 | Low | 49 Ų | 49 | 136.5 Ų | 136.5 | 51% | 0.505 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -67.1 | -20 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S11 Y15 F16 | S11-G13 PolarHBondContact O-N 2.82Å; G13-Y15 VanDerWaalsContact C-N 3.29Å; G13-Y15 PolarHBondContact O-N 2.9Å; G13-F16 PolarHBondContact O-N 3.21Å |
| 14 | A | 58.5 | Low | 59.2 | Low | 65 Ų | 65 | 131.7 Ų | 131.7 | 54% | 0.537 | 68% | 0.679 | S | S | . | * | G | 310 helix | trans | -74.1 | -20.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S11 F12 | S11-A14 WeakPolarHBondContact O-CB 3.38Å; S11-A14 PolarHBondContact O-N 2.82Å; F12-A14 VanDerWaalsContact C-N 3.31Å; F12-A14 PolarHBondContact O-N 3.06Å |
| 15 | Y | 57.1 | Low | 58.9 | Low | 139 Ų | 139 | 124.2 Ų | 124.2 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -86.3 | -13.2 | 178.4 | -63.4 | -75.2 | 0 | 0 | 0 | 113.4 | G13 H17 L18 | G13-Y15 VanDerWaalsContact C-N 3.29Å; G13-Y15 PolarHBondContact O-N 2.9Å; Y15-H17 PolarHBondContact O-N 2.96Å; Y15-L18 HydrophobicContact CD1-CD1 3.93Å; Y15-L18 HydrophobicContact CE1-CD1 4.49Å; Y15-L18 PolarHBondContact O-N 3.29Å; Y15-L18 VanDerWaalsContact O-N 3.07Å |
| 16 | F | 56.4 | Low | 58.6 | Low | 165 Ų | 165 | 124.4 Ų | 124.4 | 72% | 0.724 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -66 | -27.4 | 176.7 | -105.4 | -89.1 | 0 | 0 | 0 | 112.8 | G13 L18 | G13-F16 PolarHBondContact O-N 3.21Å; F16-L18 VanDerWaalsContact C-N 3.28Å |
| 17 | H | 58.1 | Low | 59 | Low | 179 Ų | 179 | 115.7 Ų | 115.7 | 83% | 0.829 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -78.6 | -10.4 | 174.3 | -72.8 | -86.3 | 0 | 0 | 0 | 113.8 | Y15 | Y15-H17 PolarHBondContact O-N 2.96Š|
| 18 | L | 57.4 | Low | 59 | Low | 126 Ų | 126 | 113.7 Ų | 113.7 | 66% | 0.66 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -99.9 | -1.2 | 179.4 | -75.1 | 161.6 | 0 | 0 | 0 | 112.9 | Y15 F16 P20 | Y15-L18 HydrophobicContact CD1-CD1 3.93Å; Y15-L18 HydrophobicContact CE1-CD1 4.49Å; Y15-L18 PolarHBondContact O-N 3.29Å; Y15-L18 VanDerWaalsContact O-N 3.07Å; F16-L18 VanDerWaalsContact C-N 3.28Å; L18-P20 WeakPolarHBondContact O-CD 3.42Å |
| 19 | L | 55.6 | Low | 59.3 | Low | 120 Ų | 120 | 108 Ų | 108 | 63% | 0.628 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -72.5 | 111.7 | 171.6 | -101.2 | 72 | 0 | 0 | 0 | 108.4 | A21 | L19-A21 PolarHBondContact O-N 3.32Š|
| 20 | P | 56.4 | Low | 59.7 | Low | 112 Ų | 112 | 104.6 Ų | 104.6 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | trans | -57.5 | 121.9 | 172.2 | 24 | -30.9 | 0 | 0 | 0 | 106.9 | L18 H22 | L18-P20 WeakPolarHBondContact O-CD 3.42Å; P20-H22 PolarHBondContact O-N 3Å | ||
| 21 | A | 60.7 | Low | 59.9 | Low | 74 Ų | 74 | 105.4 Ų | 105.4 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | trans | -54.2 | 97.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | L19 P23 | L19-A21 PolarHBondContact O-N 3.32Å; A21-P23 WeakPolarHBondContact O-CD 3.36Å; A21-P23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | H | 55.5 | Low | 60.2 | Low | 112 Ų | 112 | 108.6 Ų | 108.6 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | trans | -59.1 | 125.2 | -174.4 | -157.3 | -74.4 | 0 | 0 | 0 | 105.5 | P20 N24 A25 | P20-H22 PolarHBondContact O-N 3Å; H22-N24 PolarHBondContact CE1-ND2 2.85Å; H22-N24 VanDerWaalsContact CE1-ND2 3.31Å; H22-N24 PolarHBondContact O-N 3.18Å; H22-A25 HydrophobicContact CB-CB 4.46Å; H22-A25 WeakPolarHBondContact O-CB 3.31Å; H22-A25 PolarHBondContact O-N 2.96Å | ||
| 23 | P | 57.5 | Low | 60.8 | Low | 102 Ų | 102 | 102.2 Ų | 102.2 | 66% | 0.662 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.5 | -14.3 | -175.4 | 20.9 | -32 | 0 | 0 | 0 | 112.7 | A21 | A21-P23 WeakPolarHBondContact O-CD 3.36Å; A21-P23 VanDerWaalsContact O-N 3.13Å |
| 24 | N | 58 | Low | 61.1 | Low | 101 Ų | 101 | 104 Ų | 104 | 54% | 0.54 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -85.4 | -14.8 | 174.4 | -59.5 | -21.4 | 0 | 0 | 0 | 114.6 | H22 S27 V28 | H22-N24 PolarHBondContact CE1-ND2 2.85Å; H22-N24 VanDerWaalsContact CE1-ND2 3.31Å; H22-N24 PolarHBondContact O-N 3.18Å; N24-S27 PolarHBondContact O-OG 3.11Å; N24-V28 WeakPolarHBondContact O-CG2 3.14Å |
| 25 | A | 58.1 | Low | 61.3 | Low | 55 Ų | 55 | 104.5 Ų | 104.5 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -79.2 | -32 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | H22 T29 | H22-A25 HydrophobicContact CB-CB 4.46Å; H22-A25 WeakPolarHBondContact O-CB 3.31Å; H22-A25 PolarHBondContact O-N 2.96Å; A25-T29 PolarHBondContact O-N 3.39Å; A25-T29 VanDerWaalsContact O-N 3.09Å; A25-T29 PolarHBondContact O-OG1 3.18Å |
| 26 | H | 60 | Low | 61.9 | Low | 113 Ų | 113 | 108.5 Ų | 108.5 | 52% | 0.523 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.2 | -38 | 175.7 | -75 | -69.9 | 0 | 0 | 0 | 112.4 | T29 L30 | H26-T29 WeakPolarHBondContact CA-OG1 3.16Å; H26-T29 PolarHBondContact O-OG1 3.46Å; H26-T29 VanDerWaalsContact O-OG1 3.06Å; H26-L30 WeakPolarHBondContact O-CB 3.23Å; H26-L30 WeakPolarHBondContact O-CG 3.31Å; H26-L30 PolarHBondContact O-N 3.31Å |
| 27 | S | 62.6 | Low | 62.4 | Low | 65 Ų | 65 | 105.3 Ų | 105.3 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.8 | -39 | 178 | 55.8 | 0 | 0 | 0 | 0 | 112 | N24 L31 | N24-S27 PolarHBondContact O-OG 3.11Å; S27-L31 VanDerWaalsContact O-CB 3.24Å; S27-L31 WeakPolarHBondContact O-CB 3.3Å; S27-L31 PolarHBondContact O-N 3.31Å |
| 28 | V | 66.9 | Low | 62.9 | Low | 79 Ų | 79 | 97.9 Ų | 97.9 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 177.6 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | N24 L31 F32 | N24-V28 WeakPolarHBondContact O-CG2 3.14Å; V28-L31 PolarHBondContact O-N 3.33Å; V28-F32 HydrophobicContact CG1-CD2 3.99Å; V28-F32 HydrophobicContact CG1-CE2 4.26Å; V28-F32 PolarHBondContact O-N 2.91Å |
| 29 | T | 68.6 | Low | 63.6 | Low | 91 Ų | 91 | 95.7 Ų | 95.7 | 56% | 0.558 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.2 | -40.2 | 177.8 | 42.6 | 0 | 0 | 0 | 0 | 112.5 | A25 H26 F32 G33 | A25-T29 PolarHBondContact O-N 3.39Å; A25-T29 VanDerWaalsContact O-N 3.09Å; A25-T29 PolarHBondContact O-OG1 3.18Å; H26-T29 WeakPolarHBondContact CA-OG1 3.16Å; H26-T29 PolarHBondContact O-OG1 3.46Å; H26-T29 VanDerWaalsContact O-OG1 3.06Å; T29-F32 PolarHBondContact O-N 3.37Å; T29-G33 PolarHBondContact O-N 2.88Å |
| 30 | L | 68.6 | Low | 64.4 | Low | 117 Ų | 117 | 97.7 Ų | 97.7 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -44.4 | 172.2 | -79.6 | 167.6 | 0 | 0 | 0 | 111.8 | H26 F32 G33 I34 | H26-L30 WeakPolarHBondContact O-CB 3.23Å; H26-L30 WeakPolarHBondContact O-CG 3.31Å; H26-L30 PolarHBondContact O-N 3.31Å; L30-F32 PolarHBondContact O-N 2.95Å; L30-G33 PolarHBondContact O-N 3.37Å; L30-G33 VanDerWaalsContact O-N 3.14Å; L30-I34 WeakPolarHBondContact O-CD1 3.34Å; L30-I34 VanDerWaalsContact O-CG1 3.23Å; L30-I34 WeakPolarHBondContact O-CG1 3.26Å; L30-I34 PolarHBondContact O-N 3.46Å |
| 31 | L | 66.5 | Low | 65.2 | Low | 90 Ų | 90 | 96.5 Ų | 96.5 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 178.3 | -169.7 | 70.4 | 0 | 0 | 0 | 111.3 | S27 V28 G33 I34 F35 | S27-L31 VanDerWaalsContact O-CB 3.24Å; S27-L31 WeakPolarHBondContact O-CB 3.3Å; S27-L31 PolarHBondContact O-N 3.31Å; V28-L31 PolarHBondContact O-N 3.33Å; L31-G33 VanDerWaalsContact C-N 3.34Å; L31-G33 PolarHBondContact O-N 2.83Å; L31-I34 PolarHBondContact O-N 2.92Å; L31-F35 HydrophobicContact CD1-CD2 4.21Å; L31-F35 HydrophobicContact CD1-CE2 3.58Å; L31-F35 HydrophobicContact CD1-CZ 4.32Å; L31-F35 HydrophobicContact CD2-CE2 4.04Å; L31-F35 HydrophobicContact CG-CD2 3.84Å; L31-F35 HydrophobicContact CG-CE2 3.51Å; L31-F35 WeakPolarHBondContact O-CD2 3.24Å; L31-F35 PolarHBondContact O-N 3.35Å |
| 32 | F | 65.5 | Low | 65.9 | Low | 154 Ų | 154 | 96.8 Ų | 96.8 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 173 | -100.1 | -83.1 | 0 | 0 | 0 | 112.5 | V28 T29 L30 F35 R36 | V28-F32 HydrophobicContact CG1-CD2 3.99Å; V28-F32 HydrophobicContact CG1-CE2 4.26Å; V28-F32 PolarHBondContact O-N 2.91Å; T29-F32 PolarHBondContact O-N 3.37Å; L30-F32 PolarHBondContact O-N 2.95Å; F32-F35 PolarHBondContact O-N 3.36Å; F32-R36 VanDerWaalsContact O-CB 3.28Å; F32-R36 WeakPolarHBondContact O-CB 3.29Å; F32-R36 PolarHBondContact O-N 3.46Å |
| 33 | G | 70.4 | Confident | 67 | Low | 39 Ų | 39 | 96 Ų | 96 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T29 L30 L31 R36 S37 | T29-G33 PolarHBondContact O-N 2.88Å; L30-G33 PolarHBondContact O-N 3.37Å; L30-G33 VanDerWaalsContact O-N 3.14Å; L31-G33 VanDerWaalsContact C-N 3.34Å; L31-G33 PolarHBondContact O-N 2.83Å; G33-R36 PolarHBondContact O-N 3.25Å; G33-S37 WeakPolarHBondContact O-CB 3.47Å; G33-S37 PolarHBondContact O-N 3.31Å; G33-S37 PolarHBondContact O-OG 3.48Å; G33-S37 VanDerWaalsContact O-OG 3.05Å |
| 34 | I | 64.7 | Low | 68.1 | Low | 86 Ų | 86 | 96.6 Ų | 96.6 | 44% | 0.441 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 177.7 | -65.1 | 159.9 | 0 | 0 | 0 | 111.1 | L30 L31 R36 S37 S38 | L30-I34 WeakPolarHBondContact O-CD1 3.34Å; L30-I34 VanDerWaalsContact O-CG1 3.23Å; L30-I34 WeakPolarHBondContact O-CG1 3.26Å; L30-I34 PolarHBondContact O-N 3.46Å; L31-I34 PolarHBondContact O-N 2.92Å; I34-R36 VanDerWaalsContact C-N 3.31Å; I34-R36 PolarHBondContact O-N 2.97Å; I34-S37 PolarHBondContact O-N 3.49Å; I34-S37 PolarHBondContact O-OG 3.32Å; I34-S38 PolarHBondContact O-N 3.48Å |
| 35 | F | 63.6 | Low | 68.9 | Low | 75 Ų | 75 | 96.1 Ų | 96.1 | 33% | 0.329 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.6 | -29.5 | 177 | -76.3 | -59.4 | 0 | 0 | 0 | 113 | L31 F32 L42 L45 | L31-F35 HydrophobicContact CD1-CD2 4.21Å; L31-F35 HydrophobicContact CD1-CE2 3.58Å; L31-F35 HydrophobicContact CD1-CZ 4.32Å; L31-F35 HydrophobicContact CD2-CE2 4.04Å; L31-F35 HydrophobicContact CG-CD2 3.84Å; L31-F35 HydrophobicContact CG-CE2 3.51Å; L31-F35 WeakPolarHBondContact O-CD2 3.24Å; L31-F35 PolarHBondContact O-N 3.35Å; F32-F35 PolarHBondContact O-N 3.36Å; F35-L42 HydrophobicContact CD1-CB 4.15Å; F35-L42 HydrophobicContact CD1-CD1 3.75Å; F35-L42 HydrophobicContact CD1-CG 4.46Å; F35-L42 HydrophobicContact CE1-CB 4.47Å; F35-L42 HydrophobicContact CE1-CD1 3.62Å; F35-L45 HydrophobicContact CE1-CD1 4.25Å |
| 36 | R | 67.8 | Low | 69.9 | Low | 223 Ų | 223 | 98.3 Ų | 98.3 | 84% | 0.842 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75.7 | -36.3 | 176.4 | -172.8 | 168.3 | 173.3 | 87.3 | -1.4 | 112.5 | F32 G33 I34 | F32-R36 VanDerWaalsContact O-CB 3.28Å; F32-R36 WeakPolarHBondContact O-CB 3.29Å; F32-R36 PolarHBondContact O-N 3.46Å; G33-R36 PolarHBondContact O-N 3.25Å; I34-R36 VanDerWaalsContact C-N 3.31Å; I34-R36 PolarHBondContact O-N 2.97Å |
| 37 | S | 68.3 | Low | 70.7 | Confident | 98 Ų | 98 | 97.5 Ų | 97.5 | 69% | 0.685 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -80.5 | -22.3 | 178.5 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | G33 I34 | G33-S37 WeakPolarHBondContact O-CB 3.47Å; G33-S37 PolarHBondContact O-N 3.31Å; G33-S37 PolarHBondContact O-OG 3.48Å; G33-S37 VanDerWaalsContact O-OG 3.05Å; I34-S37 PolarHBondContact O-N 3.49Å; I34-S37 PolarHBondContact O-OG 3.32Å |
| 38 | S | 69 | Low | 70.9 | Confident | 24 Ų | 24 | 99.3 Ų | 99.3 | 17% | 0.168 | 51% | 0.512 | C | S | . | . | trans | -132.9 | 76.2 | -177.3 | -168.2 | 0 | 0 | 0 | 0 | 113.1 | I34 F40 L41 L42 | I34-S38 PolarHBondContact O-N 3.48Å; S38-F40 PolarHBondContact O-N 2.96Å; S38-L41 PolarHBondContact O-N 3.49Å; S38-L41 VanDerWaalsContact O-N 3.12Å; S38-L41 WeakPolarHBondContact OG-CB 3.34Å; S38-L41 WeakPolarHBondContact OG-CD1 3.44Å; S38-L41 WeakPolarHBondContact OG-CG 3.48Å; S38-L41 PolarHBondContact OG-N 3.45Å; S38-L42 PolarHBondContact O-N 2.88Å | ||
| 39 | P | 70.4 | Confident | 71 | Confident | 79 Ų | 79 | 103.7 Ų | 103.7 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -26.3 | 169 | 24.7 | -33.8 | 0 | 0 | 0 | 112 | L42 L43 | P39-L42 PolarHBondContact O-N 3.32Å; P39-L43 PolarHBondContact O-N 3.03Å |
| 40 | F | 74.1 | Confident | 70.6 | Confident | 162 Ų | 162 | 108 Ų | 108 | 71% | 0.711 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.8 | -36.7 | 175.7 | -63.3 | -76.7 | 0 | 0 | 0 | 113.2 | S38 L43 F44 | S38-F40 PolarHBondContact O-N 2.96Å; F40-L43 PolarHBondContact O-N 3.41Å; F40-F44 VanDerWaalsContact O-CB 3.29Å; F40-F44 WeakPolarHBondContact O-CB 3.35Å; F40-F44 PolarHBondContact O-N 3.43Å |
| 41 | L | 72.3 | Confident | 70 | Confident | 87 Ų | 87 | 107.1 Ų | 107.1 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 174.4 | -78.2 | 171.6 | 0 | 0 | 0 | 111.5 | S38 F44 L45 | S38-L41 PolarHBondContact O-N 3.49Å; S38-L41 VanDerWaalsContact O-N 3.12Å; S38-L41 WeakPolarHBondContact OG-CB 3.34Å; S38-L41 WeakPolarHBondContact OG-CD1 3.44Å; S38-L41 WeakPolarHBondContact OG-CG 3.48Å; S38-L41 PolarHBondContact OG-N 3.45Å; L41-F44 PolarHBondContact O-N 2.86Å; L41-L45 WeakPolarHBondContact O-CB 3.09Å; L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.1Å; L41-L45 PolarHBondContact O-N 2.76Å |
| 42 | L | 75 | Confident | 69.6 | Low | 80 Ų | 80 | 104.8 Ų | 104.8 | 42% | 0.419 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 174.7 | -172.5 | 69.6 | 0 | 0 | 0 | 111.1 | F35 S38 P39 F44 L45 L46 | F35-L42 HydrophobicContact CD1-CB 4.15Å; F35-L42 HydrophobicContact CD1-CD1 3.75Å; F35-L42 HydrophobicContact CD1-CG 4.46Å; F35-L42 HydrophobicContact CE1-CB 4.47Å; F35-L42 HydrophobicContact CE1-CD1 3.62Å; S38-L42 PolarHBondContact O-N 2.88Å; P39-L42 PolarHBondContact O-N 3.32Å; L42-F44 PolarHBondContact O-N 2.8Å; L42-L45 PolarHBondContact O-N 3.44Å; L42-L46 HydrophobicContact CG-CD1 4.29Å; L42-L46 VanDerWaalsContact O-CG 3.3Å; L42-L46 WeakPolarHBondContact O-CG 3.15Å; L42-L46 PolarHBondContact O-N 3.36Å |
| 43 | L | 79.9 | Confident | 69.2 | Low | 97 Ų | 97 | 103.9 Ų | 103.9 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 177 | -175.4 | 62.2 | 0 | 0 | 0 | 111.6 | P39 F40 L45 L46 I47 | P39-L43 PolarHBondContact O-N 3.03Å; F40-L43 PolarHBondContact O-N 3.41Å; L43-L45 PolarHBondContact O-N 3.4Å; L43-L46 PolarHBondContact O-N 2.93Å; L43-I47 HydrophobicContact CD1-CD1 4.24Å; L43-I47 HydrophobicContact CD1-CG1 4.47Å; L43-I47 HydrophobicContact CG-CD1 3.91Å; L43-I47 VanDerWaalsContact O-CG1 3.26Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3Å |
| 44 | F | 78.9 | Confident | 68.4 | Low | 114 Ų | 114 | 105.3 Ų | 105.3 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 175.7 | -178.9 | -98.4 | 0 | 0 | 0 | 111.9 | F40 L41 L42 L46 I47 H48 | F40-F44 VanDerWaalsContact O-CB 3.29Å; F40-F44 WeakPolarHBondContact O-CB 3.35Å; F40-F44 PolarHBondContact O-N 3.43Å; L41-F44 PolarHBondContact O-N 2.86Å; L42-F44 PolarHBondContact O-N 2.8Å; F44-L46 VanDerWaalsContact C-N 3.35Å; F44-L46 PolarHBondContact O-N 2.97Å; F44-I47 PolarHBondContact O-N 3.43Å; F44-H48 AromaticContact CD1-CD2 3.97Å; F44-H48 AromaticContact CD2-CD2 3.73Å; F44-H48 AromaticContact CD2-NE2 3.96Å; F44-H48 AromaticContact CE1-CD2 3.62Å; F44-H48 AromaticContact CE1-NE2 3.93Å; F44-H48 AromaticContact CE2-CD2 3.36Å; F44-H48 WeakPolarHBondContact CE2-CD2 3.36Å; F44-H48 AromaticContact CE2-NE2 3.16Å; F44-H48 WeakPolarHBondContact CE2-NE2 3.23Å; F44-H48 AromaticContact CZ-CD2 3.31Å; F44-H48 WeakPolarHBondContact CZ-CD2 3.34Å; F44-H48 AromaticContact CZ-CE1 4Å; F44-H48 AromaticContact CZ-NE2 3.14Å; F44-H48 WeakPolarHBondContact CZ-NE2 3.28Å; F44-H48 WeakPolarHBondContact O-CB 3.39Å; F44-H48 PolarHBondContact O-CD2 2.95Å; F44-H48 PolarHBondContact O-N 3.46Å |
| 45 | L | 76.5 | Confident | 68 | Low | 91 Ų | 91 | 112.3 Ų | 112.3 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.5 | -37.9 | 176.4 | -74.4 | 169.4 | 0 | 0 | 0 | 112.7 | F35 L41 L42 L43 R49 | F35-L45 HydrophobicContact CE1-CD1 4.25Å; L41-L45 WeakPolarHBondContact O-CB 3.09Å; L41-L45 VanDerWaalsContact O-CG 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.1Å; L41-L45 PolarHBondContact O-N 2.76Å; L42-L45 PolarHBondContact O-N 3.44Å; L43-L45 PolarHBondContact O-N 3.4Å; L45-R49 WeakPolarHBondContact O-CB 3.49Å; L45-R49 PolarHBondContact O-N 3.42Å |
| 46 | L | 77.4 | Confident | 67.5 | Low | 100 Ų | 100 | 112.1 Ų | 112.1 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.7 | -43.1 | 176.7 | -72.8 | 170.6 | 0 | 0 | 0 | 111.9 | L42 L43 F44 K50 | L42-L46 HydrophobicContact CG-CD1 4.29Å; L42-L46 VanDerWaalsContact O-CG 3.3Å; L42-L46 WeakPolarHBondContact O-CG 3.15Å; L42-L46 PolarHBondContact O-N 3.36Å; L43-L46 PolarHBondContact O-N 2.93Å; F44-L46 VanDerWaalsContact C-N 3.35Å; F44-L46 PolarHBondContact O-N 2.97Å; L46-K50 PolarHBondContact O-N 3.32Å |
| 47 | I | 77.4 | Confident | 66.8 | Low | 97 Ų | 97 | 106.6 Ų | 106.6 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -46 | 176 | -64.4 | 163.9 | 0 | 0 | 0 | 109.8 | L43 F44 K50 V51 | L43-I47 HydrophobicContact CD1-CD1 4.24Å; L43-I47 HydrophobicContact CD1-CG1 4.47Å; L43-I47 HydrophobicContact CG-CD1 3.91Å; L43-I47 VanDerWaalsContact O-CG1 3.26Å; L43-I47 WeakPolarHBondContact O-CG1 3.44Å; L43-I47 PolarHBondContact O-N 3Å; F44-I47 PolarHBondContact O-N 3.43Å; I47-K50 PolarHBondContact O-N 3.48Å; I47-V51 WeakPolarHBondContact O-CG2 3.27Å; I47-V51 PolarHBondContact O-N 3.12Å; I47-V51 VanDerWaalsContact O-N 3.11Å |
| 48 | H | 67.9 | Low | 66.2 | Low | 103 Ų | 103 | 110.9 Ų | 110.9 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.6 | -36.4 | 179.6 | -88.6 | -87.2 | 0 | 0 | 0 | 113.6 | F44 K50 V51 G52 | F44-H48 AromaticContact CD1-CD2 3.97Å; F44-H48 AromaticContact CD2-CD2 3.73Å; F44-H48 AromaticContact CD2-NE2 3.96Å; F44-H48 AromaticContact CE1-CD2 3.62Å; F44-H48 AromaticContact CE1-NE2 3.93Å; F44-H48 AromaticContact CE2-CD2 3.36Å; F44-H48 WeakPolarHBondContact CE2-CD2 3.36Å; F44-H48 AromaticContact CE2-NE2 3.16Å; F44-H48 WeakPolarHBondContact CE2-NE2 3.23Å; F44-H48 AromaticContact CZ-CD2 3.31Å; F44-H48 WeakPolarHBondContact CZ-CD2 3.34Å; F44-H48 AromaticContact CZ-CE1 4Å; F44-H48 AromaticContact CZ-NE2 3.14Å; F44-H48 WeakPolarHBondContact CZ-NE2 3.28Å; F44-H48 WeakPolarHBondContact O-CB 3.39Å; F44-H48 PolarHBondContact O-CD2 2.95Å; F44-H48 PolarHBondContact O-N 3.46Å; H48-K50 VanDerWaalsContact C-N 3.31Å; H48-K50 PolarHBondContact O-N 3.06Å; H48-V51 PolarHBondContact O-N 3.18Å; H48-G52 PolarHBondContact O-N 2.72Å |
| 49 | R | 67.7 | Low | 65.5 | Low | 170 Ų | 170 | 119.6 Ų | 119.6 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.4 | -44.1 | 172 | -93 | -174.3 | 71.8 | 154.5 | -0.3 | 111.3 | L45 V51 G52 E53 | L45-R49 WeakPolarHBondContact O-CB 3.49Å; L45-R49 PolarHBondContact O-N 3.42Å; R49-V51 VanDerWaalsContact C-N 3.29Å; R49-V51 PolarHBondContact O-N 3.18Å; R49-G52 PolarHBondContact O-N 2.82Å; R49-E53 IonicContact NE-OE2 3.58Å; R49-E53 IonicContact NH2-OE2 3.63Å; R49-E53 PolarHBondContact O-N 3.06Å |
| 50 | K | 59.9 | Low | 64.5 | Low | 183 Ų | 183 | 125.1 Ų | 125.1 | 80% | 0.796 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.1 | -29.3 | -178.7 | -151.2 | 159.8 | -174.9 | 177 | 0 | 112.6 | L46 I47 H48 | L46-K50 PolarHBondContact O-N 3.32Å; I47-K50 PolarHBondContact O-N 3.48Å; H48-K50 VanDerWaalsContact C-N 3.31Å; H48-K50 PolarHBondContact O-N 3.06Å |
| 51 | V | 57.6 | Low | 63.5 | Low | 97 Ų | 97 | 124.1 Ų | 124.1 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -80 | -31.3 | 172.7 | 174 | 0 | 0 | 0 | 0 | 112.2 | I47 H48 R49 | I47-V51 WeakPolarHBondContact O-CG2 3.27Å; I47-V51 PolarHBondContact O-N 3.12Å; I47-V51 VanDerWaalsContact O-N 3.11Å; H48-V51 PolarHBondContact O-N 3.18Å; R49-V51 VanDerWaalsContact C-N 3.29Å; R49-V51 PolarHBondContact O-N 3.18Å |
| 52 | G | 57.2 | Low | 62.6 | Low | 42 Ų | 42 | 130.4 Ų | 130.4 | 43% | 0.433 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -82.5 | -29.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H48 R49 G54 R55 | H48-G52 PolarHBondContact O-N 2.72Å; R49-G52 PolarHBondContact O-N 2.82Å; G52-G54 PolarHBondContact O-N 3.09Å; G52-R55 PolarHBondContact O-N 3.01Å |
| 53 | E | 56.7 | Low | 61.8 | Low | 135 Ų | 135 | 133.7 Ų | 133.7 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -18.1 | 178.6 | -82.5 | 178 | 62.5 | 0 | 0 | 113.2 | R49 | R49-E53 IonicContact NE-OE2 3.58Å; R49-E53 IonicContact NH2-OE2 3.63Å; R49-E53 PolarHBondContact O-N 3.06Å |
| 54 | G | 54.9 | Low | 60.7 | Low | 69 Ų | 69 | 140.1 Ų | 140.1 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -9.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116 | G52 | G52-G54 PolarHBondContact O-N 3.09Š|
| 55 | R | 55.5 | Low | 59.2 | Low | 232 Ų | 232 | 138.1 Ų | 138.1 | 88% | 0.875 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | -4.8 | -175.6 | -72.8 | -175.8 | 168.4 | 160.6 | -2.3 | 115 | G52 | G52-R55 PolarHBondContact O-N 3.01Š|
| 56 | G | 53 | Low | 58 | Low | 72 Ų | 72 | 145.7 Ų | 145.7 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -95.7 | 0.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 57 | S | 52.5 | Low | 56.5 | Low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | -112.1 | 33.3 | -173.7 | -157.1 | 0 | 0 | 0 | 0 | 113.9 | R59 | S57-R59 PolarHBondContact O-N 2.9Š| ||
| 58 | Q | 56.9 | Low | 55.2 | Low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | -87.6 | 69.2 | 158.9 | -101.8 | -168.1 | 18 | 0 | 0 | 109.8 | M60 | Q58-M60 PolarHBondContact O-N 2.9Š| ||
| 59 | R | 53.6 | Low | 54.3 | Low | 207 Ų | 207 | 148.7 Ų | 148.7 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | 16.2 | 80.8 | 136.4 | -142.7 | 177.3 | -161.1 | -169.3 | 5.6 | 113.9 | S57 K61 | S57-R59 PolarHBondContact O-N 2.9Å; R59-K61 HydrophobicContact CG-CB 4.47Å; R59-K61 HydrophobicContact CG-CG 4.27Å; R59-K61 PolarHBondContact O-N 3.14Å | ||
| 60 | M | 49.6 | Very low | 53.5 | Low | 194 Ų | 194 | 145.2 Ų | 145.2 | 96% | 0.956 | 76% | 0.759 | S | S | * | * | trans | -62.9 | 82.9 | 156 | -83.8 | -163.6 | 173.9 | 0 | 0 | 108.3 | Q58 | Q58-M60 PolarHBondContact O-N 2.9Š| ||
| 61 | K | 54.4 | Low | 53.3 | Low | 141 Ų | 141 | 144.3 Ų | 144.3 | 61% | 0.613 | 76% | 0.757 | S | S | * | * | trans | -126.6 | 72.4 | 162.1 | -78.2 | -164.3 | 177.6 | -173.5 | 0 | 107.6 | R59 K63 | R59-K61 HydrophobicContact CG-CB 4.47Å; R59-K61 HydrophobicContact CG-CG 4.27Å; R59-K61 PolarHBondContact O-N 3.14Å; K61-K63 PolarHBondContact O-N 3.17Å | ||
| 62 | K | 51.5 | Low | 52.8 | Low | 219 Ų | 219 | 147.2 Ų | 147.2 | 95% | 0.952 | 77% | 0.769 | S | S | * | * | trans | -73.3 | 74.7 | 161.5 | -150.5 | 171.8 | -174.1 | 177.7 | 0 | 107.5 | ||||
| 63 | K | 59.7 | Low | 52.7 | Low | 150 Ų | 150 | 151.1 Ų | 151.1 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | trans | -68.7 | 126.3 | 166.7 | -88.4 | -170.6 | 174.9 | -174.6 | 0 | 107.4 | K61 | K61-K63 PolarHBondContact O-N 3.17Š| ||
| 64 | R | 56.7 | Low | 52.3 | Low | 231 Ų | 231 | 155.4 Ų | 155.4 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | 63.9 | 123.3 | 148 | -55.4 | 175.2 | -178.6 | -162.1 | -2.3 | 113.7 | ||||
| 65 | G | 47.7 | Very low | 52.2 | Low | 72 Ų | 72 | 160.9 Ų | 160.9 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | cis | 135 | 110.8 | 38.6 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 66 | R | 49.7 | Very low | 51.8 | Low | 250 Ų | 250 | 161 Ų | 161 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | trans | 38.9 | 104.3 | 146.5 | -147.2 | 169.1 | -170.8 | 167.7 | 1.1 | 119.2 | ||||
| 67 | A | 47.2 | Very low | 51.8 | Low | 90 Ų | 90 | 162.2 Ų | 162.2 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | 44.7 | 117.9 | 130.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 68 | N | 49.9 | Very low | 51.8 | Low | 155 Ų | 155 | 163.9 Ų | 163.9 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | -167.3 | 137.6 | 108.2 | -132 | -57.3 | 0 | 0 | 0 | 109.8 | |||||
| 69 | P | 49.2 | Very low | 51.6 | Low | 119 Ų | 119 | 160.4 Ų | 160.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -94.3 | 122.7 | 178.7 | 32.9 | -20.9 | 0 | 0 | 0 | 110.2 | ||||
| 70 | S | 51.3 | Low | 51.7 | Low | 96 Ų | 96 | 156 Ų | 156 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -149 | 123.4 | 164.8 | 59.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 71 | E | 54.3 | Low | 51.8 | Low | 164 Ų | 164 | 155 Ų | 155 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | 48.1 | 104.6 | 135.2 | -63.1 | -178.1 | 108.6 | 0 | 0 | 116.7 | ||||
| 72 | N | 48.6 | Very low | 51.6 | Low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -172.9 | 87.4 | 134.1 | -92.2 | -59.1 | 0 | 0 | 0 | 105.2 | ||||
| 73 | L | 53.1 | Low | 51.2 | Low | 125 Ų | 125 | 147.7 Ų | 147.7 | 65% | 0.654 | 79% | 0.793 | S | S | * | * | 49.4 | 113.7 | 99.9 | -96.4 | 78.8 | 0 | 0 | 0 | 113.1 | |||||
| 74 | R | 49.8 | Very low | 50.9 | Low | 225 Ų | 225 | 145 Ų | 145 | 85% | 0.849 | 80% | 0.798 | S | S | * | * | trans | 67.4 | 83.9 | 138.2 | -64 | 177.1 | 159.4 | 171.4 | -7.8 | 117.4 | ||||
| 75 | E | 52 | Low | 50.7 | Low | 183 Ų | 183 | 142.6 Ų | 142.6 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -141.9 | 112.2 | 133 | -94.5 | -175.3 | 102.5 | 0 | 0 | 105.9 | ||||
| 76 | R | 48.2 | Very low | 50.7 | Low | 235 Ų | 235 | 146.3 Ų | 146.3 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | 60.8 | 112.4 | 79.4 | -162.3 | 171.1 | -167.9 | 169.5 | 3.1 | 108.1 | |||||
| 77 | A | 53.1 | Low | 50.5 | Low | 97 Ų | 97 | 137.8 Ų | 137.8 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | cis | -159.8 | 167 | 25 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 78 | D | 51.7 | Low | 50.8 | Low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -34.9 | 146.5 | 173.1 | -105.6 | -65.4 | 0 | 0 | 0 | 117.6 | ||||
| 79 | P | 52.2 | Low | 51.1 | Low | 117 Ų | 117 | 145.4 Ų | 145.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -95 | 95.3 | 175.4 | 35.7 | -24.4 | 0 | 0 | 0 | 110.1 | ||||
| 80 | T | 56.4 | Low | 51.1 | Low | 115 Ų | 115 | 142.9 Ų | 142.9 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -151.1 | 86.3 | 172.6 | 17.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 81 | N | 51.3 | Low | 51.2 | Low | 173 Ų | 173 | 143.3 Ų | 143.3 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -166.8 | 111.2 | 152.9 | -89.6 | -49.6 | 0 | 0 | 0 | 110.2 | ||||
| 82 | G | 49.4 | Very low | 51.5 | Low | 74 Ų | 74 | 142.1 Ų | 142.1 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 86 | 111.5 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 83 | P | 44.6 | Very low | 51.7 | Low | 131 Ų | 131 | 139.8 Ų | 139.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | trans | -81.1 | 169.8 | 153.8 | 36.3 | -29 | 0 | 0 | 0 | 110 | ||||
| 84 | A | 51.8 | Low | 51.9 | Low | 93 Ų | 93 | 137.8 Ų | 137.8 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 85.8 | 105.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 85 | E | 54.1 | Low | 52.2 | Low | 182 Ų | 182 | 129.8 Ų | 129.8 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | -172.4 | 155.9 | 83.2 | -101.4 | -154.3 | 112.5 | 0 | 0 | 111 | G87 | E85-G87 PolarHBondContact O-N 3.49Š| |||
| 86 | N | 47.3 | Very low | 52.5 | Low | 150 Ų | 150 | 125.6 Ų | 125.6 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -61.3 | 100.8 | -171.7 | -66.5 | -61.4 | 0 | 0 | 0 | 112.4 | K88 | N86-K88 PolarHBondContact O-N 2.94Š| ||
| 87 | G | 45.2 | Very low | 52.8 | Low | 71 Ų | 71 | 120.3 Ų | 120.3 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | trans | -68.8 | 76.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | E85 K89 | E85-G87 PolarHBondContact O-N 3.49Å; G87-K89 VanDerWaalsContact C-N 3.25Å; G87-K89 PolarHBondContact O-N 3.06Å | ||
| 88 | K | 53.2 | Low | 52.7 | Low | 202 Ų | 202 | 121.7 Ų | 121.7 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | trans | -56.1 | 94.2 | 161.7 | -86.2 | -178.7 | 176.9 | 177.4 | 0 | 107.3 | N86 G90 | N86-K88 PolarHBondContact O-N 2.94Å; K88-G90 VanDerWaalsContact C-N 3.27Å; K88-G90 PolarHBondContact O-N 3.48Å | ||
| 89 | K | 56.3 | Low | 52.7 | Low | 202 Ų | 202 | 117.8 Ų | 117.8 | 88% | 0.878 | 73% | 0.725 | S | S | * | * | trans | -66.2 | 94.9 | 166.1 | -70 | -178.5 | -179.6 | 178.4 | 0 | 106.4 | G87 S91 | G87-K89 VanDerWaalsContact C-N 3.25Å; G87-K89 PolarHBondContact O-N 3.06Å; K89-S91 PolarHBondContact O-N 3.34Å | ||
| 90 | G | 50.1 | Low | 52.8 | Low | 66 Ų | 66 | 117.4 Ų | 117.4 | 68% | 0.68 | 72% | 0.72 | S | S | * | * | trans | -55.6 | 106.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | K88 V92 | K88-G90 VanDerWaalsContact C-N 3.27Å; K88-G90 PolarHBondContact O-N 3.48Å; G90-V92 PolarHBondContact O-N 3.35Å | ||
| 91 | S | 53.4 | Low | 52.7 | Low | 105 Ų | 105 | 115.1 Ų | 115.1 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | trans | -64.4 | 103.8 | 166.4 | 179.6 | 0 | 0 | 0 | 0 | 106.7 | K89 M93 | K89-S91 PolarHBondContact O-N 3.34Å; S91-M93 VanDerWaalsContact C-N 3.31Å; S91-M93 PolarHBondContact O-N 3.05Å | ||
| 92 | V | 58.9 | Low | 53 | Low | 140 Ų | 140 | 114.3 Ų | 114.3 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | trans | -71.3 | 95.9 | 169.7 | -176.1 | 0 | 0 | 0 | 0 | 105.9 | G90 C94 | G90-V92 PolarHBondContact O-N 3.35Å; V92-C94 PolarHBondContact O-N 3.07Å | ||
| 93 | M | 54.5 | Low | 53.5 | Low | 109 Ų | 109 | 116.4 Ų | 116.4 | 54% | 0.537 | 70% | 0.704 | S | S | . | * | trans | -62.2 | 127.7 | 170.9 | -69.8 | -163.9 | 77.5 | 0 | 0 | 108.6 | S91 G95 Q97 | S91-M93 VanDerWaalsContact C-N 3.31Å; S91-M93 PolarHBondContact O-N 3.05Å; M93-G95 PolarHBondContact O-N 3.43Å; M93-Q97 HydrophobicContact CE-CB 3.76Å; M93-Q97 HydrophobicContact CE-CG 4.24Å | ||
| 94 | C | 56.9 | Low | 53.9 | Low | 83 Ų | 83 | 115.7 Ų | 115.7 | 56% | 0.561 | 70% | 0.697 | S | S | * | * | trans | -54.3 | 128.6 | 171.1 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | V92 C96 Q97 | V92-C94 PolarHBondContact O-N 3.07Å; C94-C96 PolarHBondContact O-N 2.98Å; C94-Q97 PolarHBondContact O-N 3.47Å | ||
| 95 | G | 55.5 | Low | 53.6 | Low | 57 Ų | 57 | 120.5 Ų | 120.5 | 59% | 0.588 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -55.1 | -14.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | M93 Q97 L98 A99 | M93-G95 PolarHBondContact O-N 3.43Å; G95-Q97 VanDerWaalsContact C-N 3.34Å; G95-Q97 PolarHBondContact O-N 3.42Å; G95-L98 PolarHBondContact O-N 2.95Å; G95-A99 PolarHBondContact O-N 2.92Å |
| 96 | C | 57.9 | Low | 53.6 | Low | 95 Ų | 95 | 117.5 Ų | 117.5 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -66.4 | -28.9 | 171.4 | -61.5 | 0 | 0 | 0 | 0 | 113.8 | C94 | C94-C96 PolarHBondContact O-N 2.98Å |
| 97 | Q | 54.7 | Low | 53.9 | Low | 123 Ų | 123 | 115.7 Ų | 115.7 | 58% | 0.575 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -79.7 | -28 | 177.4 | -70.1 | -157.3 | 68.6 | 0 | 0 | 112.8 | M93 C94 G95 A101 | M93-Q97 HydrophobicContact CE-CB 3.76Å; M93-Q97 HydrophobicContact CE-CG 4.24Å; C94-Q97 PolarHBondContact O-N 3.47Å; G95-Q97 VanDerWaalsContact C-N 3.34Å; G95-Q97 PolarHBondContact O-N 3.42Å; Q97-A101 PolarHBondContact O-N 2.96Å |
| 98 | L | 51.5 | Low | 54.4 | Low | 127 Ų | 127 | 118.2 Ų | 118.2 | 67% | 0.665 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -70.7 | -33 | 177.7 | -157.1 | 71.2 | 0 | 0 | 0 | 111.8 | G95 M102 | G95-L98 PolarHBondContact O-N 2.95Å; L98-M102 VanDerWaalsContact O-CG 3.23Å; L98-M102 WeakPolarHBondContact O-CG 3.47Å |
| 99 | A | 51.7 | Low | 54.5 | Low | 59 Ų | 59 | 113.3 Ų | 113.3 | 49% | 0.488 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -73.6 | -36.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G95 M102 T103 | G95-A99 PolarHBondContact O-N 2.92Å; A99-M102 PolarHBondContact O-N 3.09Å; A99-T103 PolarHBondContact O-OG1 3.31Å |
| 100 | V | 54.4 | Low | 54.4 | Low | 108 Ų | 108 | 107.8 Ų | 107.8 | 66% | 0.655 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69.7 | -37.2 | 179 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | M102 T103 | V100-M102 VanDerWaalsContact C-N 3.28Å; V100-M102 PolarHBondContact O-N 3.38Å; V100-T103 PolarHBondContact O-N 3.32Å |
| 101 | A | 53.6 | Low | 54.7 | Low | 68 Ų | 68 | 110.5 Ų | 110.5 | 56% | 0.562 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -67.9 | -24.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q97 | Q97-A101 PolarHBondContact O-N 2.96Å |
| 102 | M | 58 | Low | 54.8 | Low | 156 Ų | 156 | 110.9 Ų | 110.9 | 77% | 0.768 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -2.4 | -178.7 | -62.1 | -72.8 | -84.1 | 0 | 0 | 113.2 | L98 A99 V100 | L98-M102 VanDerWaalsContact O-CG 3.23Å; L98-M102 WeakPolarHBondContact O-CG 3.47Å; A99-M102 PolarHBondContact O-N 3.09Å; V100-M102 VanDerWaalsContact C-N 3.28Å; V100-M102 PolarHBondContact O-N 3.38Å |
| 103 | T | 59.2 | Low | 54.4 | Low | 117 Ų | 117 | 108.7 Ų | 108.7 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -106.5 | 5 | -175.6 | -38.5 | 0 | 0 | 0 | 0 | 112.8 | A99 V100 | A99-T103 PolarHBondContact O-OG1 3.31Å; V100-T103 PolarHBondContact O-N 3.32Å |
| 104 | T | 53.5 | Low | 54.4 | Low | 116 Ų | 116 | 108.7 Ų | 108.7 | 71% | 0.712 | 69% | 0.687 | S | S | * | * | trans | -114.5 | 86.5 | 170.9 | 49.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 105 | C | 46.3 | Very low | 54.2 | Low | 195 Ų | 195 | 111 Ų | 111 | 100% | 1.318 | 70% | 0.699 | S | S | * | * | trans | -123 | 0 | 161.4 | -73.1 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 105 of 105 residues in 99.1 ms
(Link to these results)