| 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 | 40.6 | Very low | 46.7 | Very low | 242 Ų | 242 | 128.1 Ų | 128.1 | 100% | 1.192 | 84% | 0.838 | S | S | * | * | 0 | 105.9 | 0 | -71.7 | 160.6 | 65.9 | 0 | 0 | 107 | G3 | M1-G3 PolarHBondContact O-N 3.44Š| |||
| 2 | S | 41.9 | Very low | 47.1 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | trans | -85.1 | 113.8 | -165.7 | -46.8 | 0 | 0 | 0 | 0 | 111.8 | G4 | S2-G4 PolarHBondContact O-N 3.39Š| ||
| 3 | G | 40.8 | Very low | 47.9 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | trans | -78.4 | 108 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | M1 S5 | M1-G3 PolarHBondContact O-N 3.44Å; G3-S5 PolarHBondContact O-N 3.45Å | ||
| 4 | G | 41.5 | Very low | 48.6 | Very low | 72 Ų | 72 | 130.4 Ų | 130.4 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | -74.8 | 119.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S2 S6 | S2-G4 PolarHBondContact O-N 3.39Å; G4-S6 PolarHBondContact O-N 3.34Å | ||
| 5 | S | 50.9 | Low | 49.3 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -63.7 | 101.4 | 173.7 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | G3 C7 | G3-S5 PolarHBondContact O-N 3.45Å; S5-C7 PolarHBondContact O-N 3Å | ||
| 6 | S | 43.1 | Very low | 50.3 | Low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -72.5 | 94.5 | 178.6 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | G4 S8 | G4-S6 PolarHBondContact O-N 3.34Å; S6-S8 PolarHBondContact O-N 3.12Å | ||
| 7 | C | 53.9 | Low | 51.7 | Low | 116 Ų | 116 | 121.6 Ų | 121.6 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | -63.7 | 116 | 165.5 | 55.6 | 0 | 0 | 0 | 0 | 109 | S5 Q9 | S5-C7 PolarHBondContact O-N 3Å; C7-Q9 VanDerWaalsContact C-N 3.3Å; C7-Q9 PolarHBondContact O-N 3.08Å | ||
| 8 | S | 52.2 | Low | 53 | Low | 111 Ų | 111 | 118.4 Ų | 118.4 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -73 | 84 | -177.2 | 42.1 | 0 | 0 | 0 | 0 | 110.5 | S6 T10 | S6-S8 PolarHBondContact O-N 3.12Å; S8-T10 PolarHBondContact O-N 3.33Å | ||
| 9 | Q | 47.3 | Very low | 54.1 | Low | 187 Ų | 187 | 121 Ų | 121 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | -59.5 | 102 | 178.7 | -173.7 | 172.7 | 89.1 | 0 | 0 | 109.7 | C7 | C7-Q9 VanDerWaalsContact C-N 3.3Å; C7-Q9 PolarHBondContact O-N 3.08Å | ||
| 10 | T | 51.7 | Low | 55.3 | Low | 121 Ų | 121 | 123.1 Ų | 123.1 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | -66 | 130.4 | -178.6 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | S8 S12 | S8-T10 PolarHBondContact O-N 3.33Å; T10-S12 PolarHBondContact O-N 3.3Å | ||
| 11 | P | 49.3 | Very low | 55.9 | Low | 117 Ų | 117 | 118.4 Ų | 118.4 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | trans | -62.5 | 132.4 | 177.3 | 25.3 | -33.1 | 0 | 0 | 0 | 108.9 | R13 | P11-R13 PolarHBondContact O-N 2.84Š| ||
| 12 | S | 51.9 | Low | 57.2 | Low | 129 Ų | 129 | 112.9 Ų | 112.9 | 90% | 0.902 | 69% | 0.689 | S | S | * | * | trans | -70.7 | 74.4 | -178.4 | -166.4 | 0 | 0 | 0 | 0 | 111 | T10 A14 | T10-S12 PolarHBondContact O-N 3.3Å; S12-A14 PolarHBondContact O-N 3.4Å | ||
| 13 | R | 57.2 | Low | 58.2 | Low | 200 Ų | 200 | 107.7 Ų | 107.7 | 76% | 0.755 | 65% | 0.651 | S | S | * | * | trans | -63.8 | 123.2 | 177.2 | -175.8 | 171.7 | 176.3 | 178.8 | -2.6 | 108.2 | P11 I15 | P11-R13 PolarHBondContact O-N 2.84Å; R13-I15 PolarHBondContact O-N 2.6Å | ||
| 14 | A | 58.7 | Low | 59.2 | Low | 87 Ų | 87 | 106.3 Ų | 106.3 | 72% | 0.719 | 64% | 0.637 | S | S | * | * | trans | -42.8 | 134.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S12 P16 | S12-A14 PolarHBondContact O-N 3.4Å; A14-P16 WeakPolarHBondContact O-CD 3.48Å | ||
| 15 | I | 58.5 | Low | 59.9 | Low | 137 Ų | 137 | 110.2 Ų | 110.2 | 70% | 0.703 | 64% | 0.641 | S | S | * | * | trans | -52.3 | 111 | -166.6 | -58.9 | 177.2 | 0 | 0 | 0 | 109.5 | R13 T18 | R13-I15 PolarHBondContact O-N 2.6Å; I15-T18 VanDerWaalsContact CG2-OG1 3.3Å; I15-T18 WeakPolarHBondContact CG2-OG1 3.47Å | ||
| 16 | P | 65.7 | Low | 60.3 | Low | 28 Ų | 28 | 107.5 Ų | 107.5 | 18% | 0.182 | 63% | 0.633 | C | S | . | * | trans | -61.5 | 154.6 | 175.9 | -21 | 33 | 0 | 0 | 0 | 110.3 | A14 T18 G49 R51 | A14-P16 WeakPolarHBondContact O-CD 3.48Å; P16-T18 PolarHBondContact O-N 3Å; P16-T18 PolarHBondContact O-OG1 3.02Å; P16-G49 WeakPolarHBondContact CB-O 3.49Å; P16-R51 HydrophobicContact CB-CG 4.35Å; P16-R51 VanDerWaalsContact CD-CZ 3.42Å; P16-R51 HydrophobicContact CG-CG 4.31Å | ||
| 17 | A | 74.4 | Confident | 61 | Low | 77 Ų | 77 | 106.1 Ų | 106.1 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | trans | -43.5 | 108.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R51 | A17-R51 PolarHBondContact O-N 2.84Š| ||
| 18 | T | 73.6 | Confident | 61.2 | Low | 64 Ų | 64 | 107.5 Ų | 107.5 | 39% | 0.393 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 110.2 | -168.4 | -68.8 | 0 | 0 | 0 | 0 | 108.7 | I15 P16 I53 | I15-T18 VanDerWaalsContact CG2-OG1 3.3Å; I15-T18 WeakPolarHBondContact CG2-OG1 3.47Å; P16-T18 PolarHBondContact O-N 3Å; P16-T18 PolarHBondContact O-OG1 3.02Å; T18-I53 HydrophobicContact CG2-CD1 3.5Å; T18-I53 HydrophobicContact CG2-CG1 4.11Å |
| 19 | R | 75 | Confident | 61.6 | Low | 168 Ų | 168 | 104.4 Ų | 104.4 | 63% | 0.634 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 105.7 | 175.2 | -164.7 | -178 | 177.1 | 174.5 | -2.2 | 108.1 | V21 T50 R51 I52 I53 | R19-V21 HydrophobicContact CB-CG2 4.22Å; R19-V21 HydrophobicContact CG-CG2 3.67Å; R19-V21 PolarHBondContact O-N 3.18Å; R19-T50 HydrophobicContact CB-CG2 4.26Å; R19-R51 PolarHBondContact N-O 3.42Å; R19-I52 WeakPolarHBondContact O-CA 3.48Å; R19-I53 PolarHBondContact O-N 2.81Å |
| 20 | R | 77.6 | Confident | 62.4 | Low | 163 Ų | 163 | 98.3 Ų | 98.3 | 62% | 0.615 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66 | 126.8 | 158.4 | -64.6 | -169.1 | 71.5 | 163.8 | -0.5 | 106.9 | I53 D55 | R20-I53 HydrophobicContact CG-CB 4.35Å; R20-D55 IonicContact CZ-OD1 2.74Å; R20-D55 IonicContact NE-OD1 3.06Å; R20-D55 VanDerWaalsContact NH2-CG 3.29Å; R20-D55 IonicContact NH2-OD1 3.74Å; R20-D55 PolarHBondContact NH2-OD1 3.5Å; R20-D55 IonicContact NH2-OD2 3.65Å; R20-D55 PolarHBondContact NH2-OD2 3.02Å |
| 21 | V | 68.4 | Low | 62.6 | Low | 25 Ų | 25 | 98.4 Ų | 98.4 | 15% | 0.152 | 57% | 0.568 | C | S | . | * | trans | -117.3 | 104.9 | 179.7 | -172.6 | 0 | 0 | 0 | 0 | 108.4 | R19 L23 I52 I53 | R19-V21 HydrophobicContact CB-CG2 4.22Å; R19-V21 HydrophobicContact CG-CG2 3.67Å; R19-V21 PolarHBondContact O-N 3.18Å; V21-L23 HydrophobicContact CB-CD1 3.98Å; V21-L23 HydrophobicContact CG1-CB 4.4Å; V21-L23 HydrophobicContact CG1-CD1 3.47Å; V21-L23 VanDerWaalsContact CG1-CD1 3.47Å; V21-L23 HydrophobicContact CG1-CG 3.54Å; V21-L23 PolarHBondContact O-N 3.49Å; V21-I52 HydrophobicContact CB-CG2 4.02Å; V21-I52 HydrophobicContact CG2-CG2 3.65Å; V21-I53 PolarHBondContact N-O 3.05Å; V21-I53 VanDerWaalsContact N-O 3.13Å | ||
| 22 | V | 68.4 | Low | 63.4 | Low | 126 Ų | 126 | 95 Ų | 95 | 76% | 0.764 | 55% | 0.553 | S | S | * | * | trans | -76.5 | 106.5 | 150.6 | -176.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 23 | L | 62.8 | Low | 64.1 | Low | 22 Ų | 22 | 95.9 Ų | 95.9 | 12% | 0.115 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 150.3 | 171.7 | -59.5 | 79.4 | 0 | 0 | 0 | 107.5 | V21 V27 L29 Y54 F58 | V21-L23 HydrophobicContact CB-CD1 3.98Å; V21-L23 HydrophobicContact CG1-CB 4.4Å; V21-L23 HydrophobicContact CG1-CD1 3.47Å; V21-L23 VanDerWaalsContact CG1-CD1 3.47Å; V21-L23 HydrophobicContact CG1-CG 3.54Å; V21-L23 PolarHBondContact O-N 3.49Å; L23-V27 HydrophobicContact CB-CB 4.21Å; L23-V27 HydrophobicContact CD2-CB 3.94Å; L23-V27 HydrophobicContact CD2-CG1 3.77Å; L23-L29 HydrophobicContact CD1-CD2 4.23Å; L23-L29 HydrophobicContact CD2-CD2 3.9Å; L23-Y54 HydrophobicContact CD1-CD1 4.08Å; L23-Y54 HydrophobicContact CD1-CE1 4.16Å; L23-F58 HydrophobicContact CB-CE1 4.01Å; L23-F58 HydrophobicContact CB-CE2 3.89Å; L23-F58 HydrophobicContact CB-CZ 3.49Å; L23-F58 VanDerWaalsContact CB-CZ 3.49Å; L23-F58 HydrophobicContact CD1-CD1 4.11Å; L23-F58 HydrophobicContact CD1-CE1 3.61Å; L23-F58 HydrophobicContact CD1-CZ 4.05Å; L23-F58 HydrophobicContact CD2-CE1 4.43Å; L23-F58 HydrophobicContact CD2-CZ 4.41Å; L23-F58 HydrophobicContact CG-CE1 4.21Å; L23-F58 HydrophobicContact CG-CZ 4.17Å; L23-F58 VanDerWaalsContact O-CE2 3.22Å; L23-F58 WeakPolarHBondContact O-CE2 3.23Å |
| 24 | G | 61.5 | Low | 65.3 | Low | 46 Ų | 46 | 90.1 Ų | 90.1 | 47% | 0.474 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 168.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G26 V27 | G24-G26 PolarHBondContact O-N 3.44Å; G24-V27 PolarHBondContact O-N 3.4Å |
| 25 | D | 56 | Low | 66.6 | Low | 154 Ų | 154 | 88.7 Ų | 88.7 | 82% | 0.824 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 137.5 | 176.7 | -64.1 | -54.8 | 0 | 0 | 0 | 112.2 | V27 | D25-V27 VanDerWaalsContact C-N 3.33Å; D25-V27 PolarHBondContact O-N 3.42Å |
| 26 | G | 59.3 | Low | 67.9 | Low | 67 Ų | 67 | 86.6 Ų | 86.6 | 69% | 0.691 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -5.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G24 Q28 | G24-G26 PolarHBondContact O-N 3.44Å; G26-Q28 PolarHBondContact O-N 2.91Å |
| 27 | V | 56.9 | Low | 69 | Low | 83 Ų | 83 | 87.8 Ų | 87.8 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | trans | -72.2 | 113.8 | 174.1 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | L23 G24 D25 L29 | L23-V27 HydrophobicContact CB-CB 4.21Å; L23-V27 HydrophobicContact CD2-CB 3.94Å; L23-V27 HydrophobicContact CD2-CG1 3.77Å; G24-V27 PolarHBondContact O-N 3.4Å; D25-V27 VanDerWaalsContact C-N 3.33Å; D25-V27 PolarHBondContact O-N 3.42Å; V27-L29 PolarHBondContact O-N 2.84Å | ||
| 28 | Q | 58.2 | Low | 69.7 | Low | 145 Ų | 145 | 91.2 Ų | 91.2 | 68% | 0.678 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 122.3 | 176.7 | -171.2 | 173.3 | 13.2 | 0 | 0 | 110.5 | G26 | G26-Q28 PolarHBondContact O-N 2.91Š|
| 29 | L | 61.9 | Low | 70.4 | Confident | 47 Ų | 47 | 91.4 Ų | 91.4 | 25% | 0.246 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 139.4 | 172.1 | -78.3 | 171.1 | 0 | 0 | 0 | 110.5 | L23 V27 Y34 Y54 F58 L59 | L23-L29 HydrophobicContact CD1-CD2 4.23Å; L23-L29 HydrophobicContact CD2-CD2 3.9Å; V27-L29 PolarHBondContact O-N 2.84Å; L29-Y34 WeakPolarHBondContact CB-OH 3.47Å; L29-Y54 HydrophobicContact CD2-CD1 3.76Å; L29-Y54 HydrophobicContact CD2-CE1 3.44Å; L29-Y54 VanDerWaalsContact CD2-CE1 3.44Å; L29-F58 HydrophobicContact CD2-CE1 4.3Å; L29-L59 HydrophobicContact CD1-CD2 3.7Å; L29-L59 HydrophobicContact CD2-CD2 4.3Å |
| 30 | P | 62.5 | Low | 70.8 | Confident | 58 Ų | 58 | 86.2 Ų | 86.2 | 38% | 0.377 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 131 | 178.3 | -27.9 | 35.3 | 0 | 0 | 0 | 112.5 | G32 Y34 | P30-G32 PolarHBondContact O-N 2.83Å; P30-Y34 WeakPolarHBondContact O-CE2 3.33Å; P30-Y34 PolarHBondContact O-OH 2.9Å |
| 31 | P | 56.6 | Low | 71.3 | Confident | 124 Ų | 124 | 81.3 Ų | 81.3 | 81% | 0.805 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -65.8 | 120.9 | 174.6 | -21.9 | 33.9 | 0 | 0 | 0 | 111.5 | ||
| 32 | G | 67.1 | Low | 72.2 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 45% | 0.454 | 53% | 0.534 | S | S | . | . | S | Bend | trans | 94.3 | 169.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117 | P30 Y34 | P30-G32 PolarHBondContact O-N 2.83Å; G32-Y34 WeakPolarHBondContact O-CE2 3.4Å; G32-Y34 PolarHBondContact O-N 3.43Å |
| 33 | D | 66.8 | Low | 73.2 | Confident | 148 Ų | 148 | 78.4 Ų | 78.4 | 79% | 0.791 | 51% | 0.506 | S | S | * | . | trans | 55.1 | 48.5 | 164.2 | -57.2 | -8.5 | 0 | 0 | 0 | 117.3 | S44 | D33-S44 WeakPolarHBondContact O-CB 3.49Š| ||
| 34 | Y | 80.9 | Confident | 74.4 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 31% | 0.314 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 139 | 164.6 | -64 | -83.7 | 0 | 0 | 0 | 111.7 | L29 P30 G32 L42 Y54 | L29-Y34 WeakPolarHBondContact CB-OH 3.47Å; P30-Y34 WeakPolarHBondContact O-CE2 3.33Å; P30-Y34 PolarHBondContact O-OH 2.9Å; G32-Y34 WeakPolarHBondContact O-CE2 3.4Å; G32-Y34 PolarHBondContact O-N 3.43Å; Y34-L42 HydrophobicContact CD1-CD2 3.66Å; Y34-L42 HydrophobicContact CD1-CG 4.2Å; Y34-L42 HydrophobicContact CE1-CD2 4.39Å; Y34-L42 HydrophobicContact CG-CD2 4.22Å; Y34-Y54 HydrophobicContact CD1-CD2 4.18Å; Y34-Y54 AromaticContact CD1-CE2 3.87Å; Y34-Y54 HydrophobicContact CD1-CE2 3.87Å; Y34-Y54 AromaticContact CE1-CD2 3.98Å; Y34-Y54 HydrophobicContact CE1-CD2 3.98Å; Y34-Y54 HydrophobicContact CE1-CE1 4.31Å; Y34-Y54 AromaticContact CE1-CE2 3.45Å; Y34-Y54 HydrophobicContact CE1-CE2 3.45Å; Y34-Y54 VanDerWaalsContact CE1-CE2 3.45Å; Y34-Y54 AromaticContact CE1-CZ 3.63Å |
| 35 | S | 85.7 | Confident | 75.7 | Confident | 57 Ų | 57 | 79 Ų | 79 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.5 | 176.7 | -68.9 | 0 | 0 | 0 | 0 | 110.7 | L42 F43 | S35-L42 WeakPolarHBondContact O-CA 3.4Å; S35-F43 PolarHBondContact N-O 2.79Å; S35-F43 VanDerWaalsContact O-CD1 3.28Å; S35-F43 WeakPolarHBondContact O-CD1 3.43Å; S35-F43 PolarHBondContact O-N 3.25Å |
| 36 | T | 86.9 | Confident | 77.2 | Confident | 92 Ų | 92 | 74 Ų | 74 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.1 | -179.2 | -45.3 | 0 | 0 | 0 | 0 | 109.8 | T41 L42 | T36-T41 WeakPolarHBondContact CA-O 3.46Å; T36-L42 WeakPolarHBondContact OG1-CD1 3.28Å |
| 37 | T | 88.7 | Confident | 78.6 | Confident | 53 Ų | 53 | 77.8 Ų | 77.8 | 33% | 0.325 | 49% | 0.49 | S | S | . | . | trans | -76.9 | 160.4 | 170.5 | 66.7 | 0 | 0 | 0 | 0 | 110.9 | G39 G40 T41 F43 | T37-G39 PolarHBondContact O-N 2.91Å; T37-G39 PolarHBondContact OG1-N 3.31Å; T37-G40 PolarHBondContact O-N 3.16Å; T37-T41 PolarHBondContact N-O 2.72Å; T37-T41 WeakPolarHBondContact OG1-CB 3.44Å; T37-T41 PolarHBondContact OG1-N 3.32Å; T37-F43 HydrophobicContact CG2-CD1 4Å; T37-F43 HydrophobicContact CG2-CE1 3.74Å | ||
| 38 | P | 89.1 | Confident | 80 | Confident | 150 Ų | 150 | 77.3 Ų | 77.3 | 97% | 0.974 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.8 | 172.3 | -27.8 | 36.4 | 0 | 0 | 0 | 114.4 | G40 | P38-G40 VanDerWaalsContact C-N 3.27Å; P38-G40 PolarHBondContact O-N 3.36Å |
| 39 | G | 87.2 | Confident | 81.4 | Confident | 68 Ų | 68 | 71.6 Ų | 71.6 | 70% | 0.701 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 15.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T37 T41 | T37-G39 PolarHBondContact O-N 2.91Å; T37-G39 PolarHBondContact OG1-N 3.31Å; G39-T41 VanDerWaalsContact C-N 3.28Å; G39-T41 PolarHBondContact O-N 3.45Å |
| 40 | G | 84.2 | Confident | 82.6 | Confident | 58 Ų | 58 | 71.8 Ų | 71.8 | 60% | 0.598 | 49% | 0.485 | S | S | * | . | trans | 72 | 10.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | T37 P38 | T37-G40 PolarHBondContact O-N 3.16Å; P38-G40 VanDerWaalsContact C-N 3.27Å; P38-G40 PolarHBondContact O-N 3.36Å | ||
| 41 | T | 87.7 | Confident | 83.8 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | trans | -81.2 | 121.6 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | T36 T37 G39 I53 | T36-T41 WeakPolarHBondContact CA-O 3.46Å; T37-T41 PolarHBondContact N-O 2.72Å; T37-T41 WeakPolarHBondContact OG1-CB 3.44Å; T37-T41 PolarHBondContact OG1-N 3.32Å; G39-T41 VanDerWaalsContact C-N 3.28Å; G39-T41 PolarHBondContact O-N 3.45Å; T41-I53 HydrophobicContact CG2-CG2 3.72Å | ||
| 42 | L | 88.4 | Confident | 85.3 | Confident | 45 Ų | 45 | 68 Ų | 68 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 133.1 | 175.2 | -158.5 | 81.7 | 0 | 0 | 0 | 110.9 | Y34 S35 T36 Y54 L59 | Y34-L42 HydrophobicContact CD1-CD2 3.66Å; Y34-L42 HydrophobicContact CD1-CG 4.2Å; Y34-L42 HydrophobicContact CE1-CD2 4.39Å; Y34-L42 HydrophobicContact CG-CD2 4.22Å; S35-L42 WeakPolarHBondContact O-CA 3.4Å; T36-L42 WeakPolarHBondContact OG1-CD1 3.28Å; L42-Y54 HydrophobicContact CD2-CD2 4.47Å; L42-Y54 PolarHBondContact O-N 2.85Å; L42-Y54 VanDerWaalsContact O-N 3.1Å; L42-L59 HydrophobicContact CB-CD1 4.42Å; L42-L59 HydrophobicContact CD2-CD1 3.5Å; L42-L59 VanDerWaalsContact CD2-CD1 3.5Å |
| 43 | F | 89.8 | Confident | 86.3 | Confident | 44 Ų | 44 | 67.8 Ų | 67.8 | 19% | 0.193 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 158.5 | 175.7 | 69.9 | -80.7 | 0 | 0 | 0 | 111.9 | S35 T37 I52 I53 | S35-F43 PolarHBondContact N-O 2.79Å; S35-F43 VanDerWaalsContact O-CD1 3.28Å; S35-F43 WeakPolarHBondContact O-CD1 3.43Å; S35-F43 PolarHBondContact O-N 3.25Å; T37-F43 HydrophobicContact CG2-CD1 4Å; T37-F43 HydrophobicContact CG2-CE1 3.74Å; F43-I52 CarbonylContact C-O 3.48Å; F43-I52 WeakPolarHBondContact CA-O 3.04Å; F43-I52 VanDerWaalsContact CB-O 3.27Å; F43-I52 WeakPolarHBondContact CB-O 3.48Å; F43-I53 HydrophobicContact CB-CG1 4.3Å |
| 44 | S | 87.5 | Confident | 87.2 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 7% | 0.07 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 163.3 | 163.8 | 71.3 | 0 | 0 | 0 | 0 | 109.8 | D33 R51 I52 Y54 | D33-S44 WeakPolarHBondContact O-CB 3.49Å; S44-R51 WeakPolarHBondContact O-CA 3.44Å; S44-I52 PolarHBondContact N-O 2.85Å; S44-I52 PolarHBondContact O-N 3.32Å; S44-Y54 PolarHBondContact OG-OH 3.05Å |
| 45 | T | 88.4 | Confident | 87.6 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 44% | 0.436 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120 | 176.6 | -53.1 | 0 | 0 | 0 | 0 | 108.8 | T50 R51 | T45-T50 WeakPolarHBondContact CA-O 3.37Å; T45-R51 HydrophobicContact CG2-CG 4.45Å |
| 46 | T | 87.6 | Confident | 87.5 | Confident | 50 Ų | 50 | 66.5 Ų | 66.5 | 31% | 0.307 | 42% | 0.416 | S | S | . | . | trans | -74.5 | 160.4 | 176.2 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | G48 G49 T50 I52 | T46-G48 PolarHBondContact O-N 2.91Å; T46-G49 WeakPolarHBondContact O-CA 3.47Å; T46-G49 PolarHBondContact O-N 2.93Å; T46-T50 PolarHBondContact N-O 2.78Å; T46-I52 HydrophobicContact CG2-CD1 3.81Å; T46-I52 HydrophobicContact CG2-CG1 4.49Å | ||
| 47 | P | 88.4 | Confident | 87.4 | Confident | 146 Ų | 146 | 70.7 Ų | 70.7 | 95% | 0.948 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.4 | 177.7 | -29.2 | 36.8 | 0 | 0 | 0 | 114.8 | G49 | P47-G49 PolarHBondContact O-N 2.88Š|
| 48 | G | 86.6 | Confident | 87.3 | Confident | 73 Ų | 73 | 69.2 Ų | 69.2 | 75% | 0.753 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 3.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115 | T46 T50 | T46-G48 PolarHBondContact O-N 2.91Å; G48-T50 VanDerWaalsContact C-N 3.32Å; G48-T50 PolarHBondContact O-N 3.28Å |
| 49 | G | 87 | Confident | 87 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 26% | 0.258 | 38% | 0.38 | S | S | . | . | trans | 84.4 | -9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P16 T46 P47 R51 | P16-G49 WeakPolarHBondContact CB-O 3.49Å; T46-G49 WeakPolarHBondContact O-CA 3.47Å; T46-G49 PolarHBondContact O-N 2.93Å; P47-G49 PolarHBondContact O-N 2.88Å; G49-R51 PolarHBondContact O-N 3.36Å | ||
| 50 | T | 87.1 | Confident | 86.9 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 123.7 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | R19 T45 T46 G48 | R19-T50 HydrophobicContact CB-CG2 4.26Å; T45-T50 WeakPolarHBondContact CA-O 3.37Å; T46-T50 PolarHBondContact N-O 2.78Å; G48-T50 VanDerWaalsContact C-N 3.32Å; G48-T50 PolarHBondContact O-N 3.28Å |
| 51 | R | 88.1 | Confident | 87 | Confident | 79 Ų | 79 | 68 Ų | 68 | 30% | 0.298 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.2 | 172.8 | -73.3 | -174.8 | 179.9 | 157.4 | 2.4 | 109.7 | P16 A17 R19 S44 T45 G49 | P16-R51 HydrophobicContact CB-CG 4.35Å; P16-R51 VanDerWaalsContact CD-CZ 3.42Å; P16-R51 HydrophobicContact CG-CG 4.31Å; A17-R51 PolarHBondContact O-N 2.84Å; R19-R51 PolarHBondContact N-O 3.42Å; S44-R51 WeakPolarHBondContact O-CA 3.44Å; T45-R51 HydrophobicContact CG2-CG 4.45Å; G49-R51 PolarHBondContact O-N 3.36Å |
| 52 | I | 87.6 | Confident | 86.9 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.118 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.7 | 172.9 | -60.7 | 172.7 | 0 | 0 | 0 | 107.7 | R19 V21 F43 S44 T46 Y54 | R19-I52 WeakPolarHBondContact O-CA 3.48Å; V21-I52 HydrophobicContact CB-CG2 4.02Å; V21-I52 HydrophobicContact CG2-CG2 3.65Å; F43-I52 CarbonylContact C-O 3.48Å; F43-I52 WeakPolarHBondContact CA-O 3.04Å; F43-I52 VanDerWaalsContact CB-O 3.27Å; F43-I52 WeakPolarHBondContact CB-O 3.48Å; S44-I52 PolarHBondContact N-O 2.85Å; S44-I52 PolarHBondContact O-N 3.32Å; T46-I52 HydrophobicContact CG2-CD1 3.81Å; T46-I52 HydrophobicContact CG2-CG1 4.49Å; I52-Y54 HydrophobicContact CB-CE2 4.06Å; I52-Y54 HydrophobicContact CG2-CD1 4.18Å; I52-Y54 HydrophobicContact CG2-CD2 4.22Å; I52-Y54 HydrophobicContact CG2-CE1 3.59Å; I52-Y54 HydrophobicContact CG2-CE2 3.63Å; I52-Y54 HydrophobicContact CG2-CG 4.47Å; I52-Y54 WeakPolarHBondContact CG2-OH 3.42Å |
| 53 | I | 89.1 | Confident | 86.7 | Confident | 40 Ų | 40 | 71.8 Ų | 71.8 | 21% | 0.205 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.3 | 172.5 | -63.4 | 177.4 | 0 | 0 | 0 | 108.9 | T18 R19 R20 V21 T41 F43 | T18-I53 HydrophobicContact CG2-CD1 3.5Å; T18-I53 HydrophobicContact CG2-CG1 4.11Å; R19-I53 PolarHBondContact O-N 2.81Å; R20-I53 HydrophobicContact CG-CB 4.35Å; V21-I53 PolarHBondContact N-O 3.05Å; V21-I53 VanDerWaalsContact N-O 3.13Å; T41-I53 HydrophobicContact CG2-CG2 3.72Å; F43-I53 HydrophobicContact CB-CG1 4.3Å |
| 54 | Y | 86.4 | Confident | 86.5 | Confident | 7 Ų | 7 | 74.7 Ų | 74.7 | 3% | 0.027 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.1 | -179.1 | -54.8 | -89 | 0 | 0 | 0 | 110.8 | L23 L29 Y34 L42 S44 I52 L59 | L23-Y54 HydrophobicContact CD1-CD1 4.08Å; L23-Y54 HydrophobicContact CD1-CE1 4.16Å; L29-Y54 HydrophobicContact CD2-CD1 3.76Å; L29-Y54 HydrophobicContact CD2-CE1 3.44Å; L29-Y54 VanDerWaalsContact CD2-CE1 3.44Å; Y34-Y54 HydrophobicContact CD1-CD2 4.18Å; Y34-Y54 AromaticContact CD1-CE2 3.87Å; Y34-Y54 HydrophobicContact CD1-CE2 3.87Å; Y34-Y54 AromaticContact CE1-CD2 3.98Å; Y34-Y54 HydrophobicContact CE1-CD2 3.98Å; Y34-Y54 HydrophobicContact CE1-CE1 4.31Å; Y34-Y54 AromaticContact CE1-CE2 3.45Å; Y34-Y54 HydrophobicContact CE1-CE2 3.45Å; Y34-Y54 VanDerWaalsContact CE1-CE2 3.45Å; Y34-Y54 AromaticContact CE1-CZ 3.63Å; L42-Y54 HydrophobicContact CD2-CD2 4.47Å; L42-Y54 PolarHBondContact O-N 2.85Å; L42-Y54 VanDerWaalsContact O-N 3.1Å; S44-Y54 PolarHBondContact OG-OH 3.05Å; I52-Y54 HydrophobicContact CB-CE2 4.06Å; I52-Y54 HydrophobicContact CG2-CD1 4.18Å; I52-Y54 HydrophobicContact CG2-CD2 4.22Å; I52-Y54 HydrophobicContact CG2-CE1 3.59Å; I52-Y54 HydrophobicContact CG2-CE2 3.63Å; I52-Y54 HydrophobicContact CG2-CG 4.47Å; I52-Y54 WeakPolarHBondContact CG2-OH 3.42Å; Y54-L59 HydrophobicContact CD1-CD2 4.31Å; Y54-L59 HydrophobicContact CG-CD2 4.37Å |
| 55 | D | 88.3 | Confident | 86.4 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 32% | 0.321 | 40% | 0.398 | S | S | . | . | trans | -80.9 | 130.8 | 177.5 | -75 | 3.7 | 0 | 0 | 0 | 110.6 | R20 K57 F58 L59 | R20-D55 IonicContact CZ-OD1 2.74Å; R20-D55 IonicContact NE-OD1 3.06Å; R20-D55 VanDerWaalsContact NH2-CG 3.29Å; R20-D55 IonicContact NH2-OD1 3.74Å; R20-D55 PolarHBondContact NH2-OD1 3.5Å; R20-D55 IonicContact NH2-OD2 3.65Å; R20-D55 PolarHBondContact NH2-OD2 3.02Å; D55-K57 PolarHBondContact O-N 3.1Å; D55-F58 PolarHBondContact O-N 3.19Å; D55-F58 VanDerWaalsContact O-N 3.08Å; D55-L59 PolarHBondContact O-N 3.26Å | ||
| 56 | R | 83.9 | Confident | 86.3 | Confident | 191 Ų | 191 | 77.4 Ų | 77.4 | 72% | 0.721 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -51.5 | -36.7 | -177.4 | -177.1 | -177.4 | 179.6 | -83.2 | 1.3 | 113.6 | L59 M60 | R56-L59 PolarHBondContact O-N 3.25Å; R56-M60 HydrophobicContact CG-CG 4.38Å; R56-M60 VanDerWaalsContact O-CG 3.3Å; R56-M60 WeakPolarHBondContact O-CG 3.27Å; R56-M60 PolarHBondContact O-N 3.44Å; R56-M60 VanDerWaalsContact O-N 3.12Å |
| 57 | K | 84.8 | Confident | 86.2 | Confident | 179 Ų | 179 | 78.8 Ų | 78.8 | 78% | 0.778 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.7 | -51.5 | 179.6 | -66.8 | -176.3 | 178.7 | -177.7 | 0 | 111.1 | D55 L59 M60 E61 | D55-K57 PolarHBondContact O-N 3.1Å; K57-L59 PolarHBondContact O-N 3.35Å; K57-M60 PolarHBondContact O-N 2.85Å; K57-E61 PolarHBondContact O-N 3.49Å |
| 58 | F | 85.4 | Confident | 86 | Confident | 23 Ų | 23 | 75.7 Ų | 75.7 | 10% | 0.101 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 179 | 171.4 | -93.4 | 0 | 0 | 0 | 112.1 | L23 L29 D55 M60 E61 C62 | L23-F58 HydrophobicContact CB-CE1 4.01Å; L23-F58 HydrophobicContact CB-CE2 3.89Å; L23-F58 HydrophobicContact CB-CZ 3.49Å; L23-F58 VanDerWaalsContact CB-CZ 3.49Å; L23-F58 HydrophobicContact CD1-CD1 4.11Å; L23-F58 HydrophobicContact CD1-CE1 3.61Å; L23-F58 HydrophobicContact CD1-CZ 4.05Å; L23-F58 HydrophobicContact CD2-CE1 4.43Å; L23-F58 HydrophobicContact CD2-CZ 4.41Å; L23-F58 HydrophobicContact CG-CE1 4.21Å; L23-F58 HydrophobicContact CG-CZ 4.17Å; L23-F58 VanDerWaalsContact O-CE2 3.22Å; L23-F58 WeakPolarHBondContact O-CE2 3.23Å; L29-F58 HydrophobicContact CD2-CE1 4.3Å; D55-F58 PolarHBondContact O-N 3.19Å; D55-F58 VanDerWaalsContact O-N 3.08Å; F58-M60 VanDerWaalsContact C-N 3.31Å; F58-M60 PolarHBondContact O-N 3.05Å; F58-E61 WeakPolarHBondContact O-CB 3.08Å; F58-E61 PolarHBondContact O-N 3.01Å; F58-E61 VanDerWaalsContact O-N 3.12Å; F58-C62 WeakPolarHBondContact CE1-SG 3.27Å; F58-C62 WeakPolarHBondContact CZ-SG 3.16Å; F58-C62 PolarHBondContact O-N 2.98Å; F58-C62 PolarHBondContact O-SG 3.33Å; F58-C62 VanDerWaalsContact O-SG 3.36Å |
| 59 | L | 83.1 | Confident | 85.9 | Confident | 44 Ų | 44 | 80 Ų | 80 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 177.7 | -63.9 | 176.1 | 0 | 0 | 0 | 113 | L29 L42 Y54 D55 R56 K57 E61 | L29-L59 HydrophobicContact CD1-CD2 3.7Å; L29-L59 HydrophobicContact CD2-CD2 4.3Å; L42-L59 HydrophobicContact CB-CD1 4.42Å; L42-L59 HydrophobicContact CD2-CD1 3.5Å; L42-L59 VanDerWaalsContact CD2-CD1 3.5Å; Y54-L59 HydrophobicContact CD1-CD2 4.31Å; Y54-L59 HydrophobicContact CG-CD2 4.37Å; D55-L59 PolarHBondContact O-N 3.26Å; R56-L59 PolarHBondContact O-N 3.25Å; K57-L59 PolarHBondContact O-N 3.35Å; L59-E61 VanDerWaalsContact C-N 3.34Å |
| 60 | M | 85 | Confident | 85.8 | Confident | 88 Ų | 88 | 83.4 Ų | 83.4 | 43% | 0.433 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -72.8 | -28.5 | 175.1 | -66.8 | -62.2 | -58.8 | 0 | 0 | 112.4 | R56 K57 F58 R63 | R56-M60 HydrophobicContact CG-CG 4.38Å; R56-M60 VanDerWaalsContact O-CG 3.3Å; R56-M60 WeakPolarHBondContact O-CG 3.27Å; R56-M60 PolarHBondContact O-N 3.44Å; R56-M60 VanDerWaalsContact O-N 3.12Å; K57-M60 PolarHBondContact O-N 2.85Å; F58-M60 VanDerWaalsContact C-N 3.31Å; F58-M60 PolarHBondContact O-N 3.05Å; M60-R63 VanDerWaalsContact O-CD 3.23Å; M60-R63 WeakPolarHBondContact O-CD 3.17Å; M60-R63 WeakPolarHBondContact O-CG 3.14Å |
| 61 | E | 87.5 | Confident | 85.7 | Confident | 117 Ų | 117 | 86 Ų | 86 | 55% | 0.547 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.5 | -39.7 | 176.3 | -171.7 | 158.8 | -137.3 | 0 | 0 | 111.6 | K57 F58 L59 R63 N64 | K57-E61 PolarHBondContact O-N 3.49Å; F58-E61 WeakPolarHBondContact O-CB 3.08Å; F58-E61 PolarHBondContact O-N 3.01Å; F58-E61 VanDerWaalsContact O-N 3.12Å; L59-E61 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 3.1Å; E61-N64 PolarHBondContact O-N 3.25Å; E61-N64 VanDerWaalsContact O-N 3.13Å |
| 62 | C | 84.1 | Confident | 85.6 | Confident | 30 Ų | 30 | 86.6 Ų | 86.6 | 20% | 0.203 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -51.1 | -29 | 173.2 | -71.3 | 0 | 0 | 0 | 0 | 114.5 | F58 N64 S65 T68 | F58-C62 WeakPolarHBondContact CE1-SG 3.27Å; F58-C62 WeakPolarHBondContact CZ-SG 3.16Å; F58-C62 PolarHBondContact O-N 2.98Å; F58-C62 PolarHBondContact O-SG 3.33Å; F58-C62 VanDerWaalsContact O-SG 3.36Å; C62-N64 PolarHBondContact O-N 3.32Å; C62-S65 WeakPolarHBondContact O-CB 3.37Å; C62-S65 PolarHBondContact O-N 3.43Å; C62-T68 WeakPolarHBondContact O-CG2 3.2Å |
| 63 | R | 84.8 | Confident | 85.5 | Confident | 157 Ų | 157 | 94.5 Ų | 94.5 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -55.7 | -27.4 | -179 | 87.5 | -172.3 | 179.9 | 167.5 | -0.5 | 112.7 | M60 E61 S65 T68 | M60-R63 VanDerWaalsContact O-CD 3.23Å; M60-R63 WeakPolarHBondContact O-CD 3.17Å; M60-R63 WeakPolarHBondContact O-CG 3.14Å; E61-R63 PolarHBondContact O-N 3.1Å; R63-S65 VanDerWaalsContact C-N 3.34Å; R63-T68 PolarHBondContact O-OG1 2.86Å |
| 64 | N | 85.9 | Confident | 85.4 | Confident | 105 Ų | 105 | 100.4 Ų | 100.4 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -82 | -11.9 | -176.5 | -57.1 | -24.7 | 0 | 0 | 0 | 112.9 | E61 C62 | E61-N64 PolarHBondContact O-N 3.25Å; E61-N64 VanDerWaalsContact O-N 3.13Å; C62-N64 PolarHBondContact O-N 3.32Å |
| 65 | S | 86.6 | Confident | 85.5 | Confident | 29 Ų | 29 | 104.5 Ų | 104.5 | 20% | 0.203 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -61 | 145.1 | -177.4 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | C62 R63 V67 T68 | C62-S65 WeakPolarHBondContact O-CB 3.37Å; C62-S65 PolarHBondContact O-N 3.43Å; R63-S65 VanDerWaalsContact C-N 3.34Å; S65-V67 PolarHBondContact O-N 3.19Å; S65-V67 VanDerWaalsContact O-N 3.1Å; S65-V67 PolarHBondContact OG-N 3.12Å; S65-T68 PolarHBondContact O-N 3.37Å; S65-T68 PolarHBondContact O-OG1 2.88Å |
| 66 | P | 85.3 | Confident | 85.5 | Confident | 108 Ų | 108 | 105.6 Ų | 105.6 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -55.2 | -28.7 | 171.7 | -26 | 35.3 | 0 | 0 | 0 | 113.8 | T68 K69 | P66-T68 PolarHBondContact O-N 2.87Å; P66-K69 PolarHBondContact O-N 3.28Å |
| 67 | V | 85.1 | Confident | 85.8 | Confident | 79 Ų | 79 | 100.5 Ų | 100.5 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -66.5 | -37.2 | -177.8 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | S65 K69 T70 | S65-V67 PolarHBondContact O-N 3.19Å; S65-V67 VanDerWaalsContact O-N 3.1Å; S65-V67 PolarHBondContact OG-N 3.12Å; V67-K69 PolarHBondContact O-N 3.06Å; V67-T70 WeakPolarHBondContact O-CB 3.3Å; V67-T70 PolarHBondContact O-N 3.36Å; V67-T70 VanDerWaalsContact O-N 3.16Å; V67-T70 PolarHBondContact O-OG1 3.01Å |
| 68 | T | 84.2 | Confident | 86.1 | Confident | 81 Ų | 81 | 95.8 Ų | 95.8 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -70.7 | -18.1 | -178.8 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | C62 R63 S65 P66 T70 | C62-T68 WeakPolarHBondContact O-CG2 3.2Å; R63-T68 PolarHBondContact O-OG1 2.86Å; S65-T68 PolarHBondContact O-N 3.37Å; S65-T68 PolarHBondContact O-OG1 2.88Å; P66-T68 PolarHBondContact O-N 2.87Å; T68-T70 VanDerWaalsContact C-N 3.29Å |
| 69 | K | 84.6 | Confident | 86.1 | Confident | 165 Ų | 165 | 100.1 Ų | 100.1 | 72% | 0.717 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -83.4 | -2.8 | 175.5 | -56.4 | -173.1 | -179.1 | -173.4 | 0 | 113.3 | P66 V67 | P66-K69 PolarHBondContact O-N 3.28Å; V67-K69 PolarHBondContact O-N 3.06Å |
| 70 | T | 86.1 | Confident | 86.2 | Confident | 95 Ų | 95 | 101.8 Ų | 101.8 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -87.2 | 120.3 | 175.9 | -54.7 | 0 | 0 | 0 | 0 | 109.2 | V67 T68 | V67-T70 WeakPolarHBondContact O-CB 3.3Å; V67-T70 PolarHBondContact O-N 3.36Å; V67-T70 VanDerWaalsContact O-N 3.16Å; V67-T70 PolarHBondContact O-OG1 3.01Å; T68-T70 VanDerWaalsContact C-N 3.29Å |
| 71 | P | 84 | Confident | 86.4 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 70% | 0.695 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 135.1 | 177.2 | -26.6 | 35.8 | 0 | 0 | 0 | 111.8 | K73 | P71-K73 PolarHBondContact O-N 3.02Š|
| 72 | P | 86 | Confident | 86.4 | Confident | 90 Ų | 90 | 99.7 Ų | 99.7 | 58% | 0.584 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 138.2 | 175.3 | -23.5 | 34.3 | 0 | 0 | 0 | 111.2 | L75 | P72-L75 HydrophobicContact CB-CB 4.22Å; P72-L75 HydrophobicContact CB-CD2 4.42Å; P72-L75 HydrophobicContact CG-CD2 4.21Å |
| 73 | K | 85.7 | Confident | 86.3 | Confident | 189 Ų | 189 | 100.5 Ų | 100.5 | 82% | 0.822 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 146.6 | 173.6 | -62.7 | -175.8 | 179.7 | -178.2 | 0 | 110 | P71 L75 | P71-K73 PolarHBondContact O-N 3.02Å; K73-L75 PolarHBondContact O-N 3.06Å |
| 74 | D | 87.6 | Confident | 85.7 | Confident | 164 Ų | 164 | 98.6 Ų | 98.6 | 88% | 0.877 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.9 | 12 | 172 | -44 | -55.6 | 0 | 0 | 0 | 115.4 | ||
| 75 | L | 86.7 | Confident | 84.6 | Confident | 94 Ų | 94 | 98.4 Ų | 98.4 | 49% | 0.492 | 60% | 0.601 | S | S | . | * | trans | -76 | 124 | 172.2 | -171.2 | 74.3 | 0 | 0 | 0 | 109.8 | P72 K73 T82 | P72-L75 HydrophobicContact CB-CB 4.22Å; P72-L75 HydrophobicContact CB-CD2 4.42Å; P72-L75 HydrophobicContact CG-CD2 4.21Å; K73-L75 PolarHBondContact O-N 3.06Å; L75-T82 HydrophobicContact CD1-CG2 4.26Å; L75-T82 HydrophobicContact CD2-CG2 3.83Å; L75-T82 HydrophobicContact CG-CG2 4.04Å | ||
| 76 | P | 90.1 | Very high | 83.2 | Confident | 82 Ų | 82 | 103.5 Ų | 103.5 | 53% | 0.532 | 64% | 0.637 | S | S | . | * | trans | -67.6 | 144.7 | -179.5 | 27.9 | -35.1 | 0 | 0 | 0 | 111.3 | I78 T82 | P76-I78 HydrophobicContact CB-CG1 4.45Å; P76-I78 HydrophobicContact CG-CD1 4.19Å; P76-I78 HydrophobicContact CG-CG1 4.4Å; P76-I78 PolarHBondContact O-N 2.99Å; P76-T82 WeakPolarHBondContact O-CB 3.3Å; P76-T82 PolarHBondContact O-OG1 3.06Å | ||
| 77 | A | 88.6 | Confident | 81.7 | Confident | 85 Ų | 85 | 105.1 Ų | 105.1 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | trans | -79.8 | 102.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 78 | I | 91.1 | Very high | 80.1 | Confident | 79 Ų | 79 | 108.9 Ų | 108.9 | 41% | 0.405 | 65% | 0.652 | S | S | . | * | trans | -112.7 | 113.8 | -180 | -57.4 | 174.2 | 0 | 0 | 0 | 107.5 | P76 G80 V81 T82 S83 | P76-I78 HydrophobicContact CB-CG1 4.45Å; P76-I78 HydrophobicContact CG-CD1 4.19Å; P76-I78 HydrophobicContact CG-CG1 4.4Å; P76-I78 PolarHBondContact O-N 2.99Å; I78-G80 PolarHBondContact O-N 2.74Å; I78-V81 HydrophobicContact CB-CB 4.16Å; I78-V81 HydrophobicContact CG2-CB 3.91Å; I78-V81 HydrophobicContact CG2-CG2 3.83Å; I78-V81 PolarHBondContact O-N 3.26Å; I78-V81 VanDerWaalsContact O-N 3.08Å; I78-T82 WeakPolarHBondContact CB-OG1 3.4Å; I78-T82 PolarHBondContact N-OG1 3.13Å; I78-T82 PolarHBondContact O-N 2.82Å; I78-S83 PolarHBondContact N-OG 3.38Å; I78-S83 PolarHBondContact O-N 2.74Å; I78-S83 VanDerWaalsContact O-N 3.12Å | ||
| 79 | P | 85.9 | Confident | 78.3 | Confident | 114 Ų | 114 | 109 Ų | 109 | 74% | 0.74 | 65% | 0.654 | S | S | * | * | B | Isolated β-bridge | trans | -53.1 | 129.2 | 177.6 | -28 | 35.9 | 0 | 0 | 0 | 112.2 | V81 | P79-V81 VanDerWaalsContact C-N 3.26Å; P79-V81 PolarHBondContact O-N 3.08Å |
| 80 | G | 85.4 | Confident | 76.5 | Confident | 80 Ų | 80 | 107.4 Ų | 107.4 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.6 | 1.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | I78 | I78-G80 PolarHBondContact O-N 2.74Š|
| 81 | V | 89.9 | Confident | 74.5 | Confident | 115 Ų | 115 | 107.8 Ų | 107.8 | 70% | 0.697 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | -54.4 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | I78 P79 | I78-V81 HydrophobicContact CB-CB 4.16Å; I78-V81 HydrophobicContact CG2-CB 3.91Å; I78-V81 HydrophobicContact CG2-CG2 3.83Å; I78-V81 PolarHBondContact O-N 3.26Å; I78-V81 VanDerWaalsContact O-N 3.08Å; P79-V81 VanDerWaalsContact C-N 3.26Å; P79-V81 PolarHBondContact O-N 3.08Å |
| 82 | T | 86.1 | Confident | 72.9 | Confident | 45 Ų | 45 | 110.7 Ų | 110.7 | 28% | 0.276 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.9 | -12 | -177.2 | 57.4 | 0 | 0 | 0 | 0 | 113 | L75 P76 I78 P84 | L75-T82 HydrophobicContact CD1-CG2 4.26Å; L75-T82 HydrophobicContact CD2-CG2 3.83Å; L75-T82 HydrophobicContact CG-CG2 4.04Å; P76-T82 WeakPolarHBondContact O-CB 3.3Å; P76-T82 PolarHBondContact O-OG1 3.06Å; I78-T82 WeakPolarHBondContact CB-OG1 3.4Å; I78-T82 PolarHBondContact N-OG1 3.13Å; I78-T82 PolarHBondContact O-N 2.82Å; T82-P84 WeakPolarHBondContact O-CD 3.22Å |
| 83 | S | 82.9 | Confident | 70.9 | Confident | 47 Ų | 47 | 110.9 Ų | 110.9 | 33% | 0.329 | 68% | 0.677 | S | S | . | * | B | Isolated β-bridge | trans | -94.2 | 104.5 | 169.2 | -57.9 | 0 | 0 | 0 | 0 | 109.7 | I78 | I78-S83 PolarHBondContact N-OG 3.38Å; I78-S83 PolarHBondContact O-N 2.74Å; I78-S83 VanDerWaalsContact O-N 3.12Å |
| 84 | P | 72 | Confident | 69.1 | Low | 118 Ų | 118 | 105.9 Ų | 105.9 | 77% | 0.766 | 67% | 0.665 | S | S | * | * | trans | -67.6 | 140.6 | 176.1 | 28.6 | -34.5 | 0 | 0 | 0 | 110.7 | T82 | T82-P84 WeakPolarHBondContact O-CD 3.22Š| ||
| 85 | S | 62.2 | Low | 67.4 | Low | 101 Ų | 101 | 107.5 Ų | 107.5 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | -69.1 | 131.2 | 167.5 | 45.1 | 0 | 0 | 0 | 0 | 109.9 | D87 | S85-D87 PolarHBondContact O-N 3.45Š| ||
| 86 | S | 57.6 | Low | 65.2 | Low | 136 Ų | 136 | 108 Ų | 108 | 95% | 0.951 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -72 | 26.8 | -172.6 | -46.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 87 | D | 54.2 | Low | 63 | Low | 141 Ų | 141 | 113.5 Ų | 113.5 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | trans | -135.1 | 71.1 | -171.7 | -161.5 | 5.5 | 0 | 0 | 0 | 110.1 | S85 | S85-D87 PolarHBondContact O-N 3.45Š| ||
| 88 | E | 50.8 | Low | 61.6 | Low | 159 Ų | 159 | 117.3 Ų | 117.3 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | -121.2 | 97.4 | 171.1 | -172.2 | -179 | 127.4 | 0 | 0 | 109.5 | ||||
| 89 | P | 46.4 | Very low | 59.3 | Low | 82 Ų | 82 | 124.2 Ų | 124.2 | 53% | 0.532 | 73% | 0.726 | S | S | . | * | trans | -65.1 | 149.5 | 159.1 | 29.6 | -34.1 | 0 | 0 | 0 | 109.2 | T91 | P89-T91 PolarHBondContact O-N 3.26Š| ||
| 90 | P | 47.8 | Very low | 56.9 | Low | 132 Ų | 132 | 125.3 Ų | 125.3 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | trans | -66.1 | 97.3 | -170.8 | 26.6 | -35.4 | 0 | 0 | 0 | 112 | E92 | P90-E92 PolarHBondContact O-N 3.12Š| ||
| 91 | T | 44.3 | Very low | 54.6 | Low | 104 Ų | 104 | 126.8 Ų | 126.8 | 64% | 0.638 | 72% | 0.723 | S | S | * | * | trans | -83.7 | 106 | -175.2 | 45.3 | 0 | 0 | 0 | 0 | 112.1 | P89 A93 | P89-T91 PolarHBondContact O-N 3.26Å; T91-A93 PolarHBondContact O-N 3.04Å | ||
| 92 | E | 50 | Low | 52.8 | Low | 168 Ų | 168 | 127 Ų | 127 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -65.3 | 95.8 | 161.2 | -171 | -160.3 | 127.4 | 0 | 0 | 109.2 | P90 S94 | P90-E92 PolarHBondContact O-N 3.12Å; E92-S94 PolarHBondContact O-N 3.43Å; E92-S94 PolarHBondContact OE1-OG 3.13Å | ||
| 93 | A | 43.5 | Very low | 50.6 | Low | 94 Ų | 94 | 132.2 Ų | 132.2 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | trans | -75.9 | 61 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T91 | T91-A93 PolarHBondContact O-N 3.04Š| ||
| 94 | S | 48.2 | Very low | 48.4 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | trans | -72.9 | 150 | 165.3 | -78.7 | 0 | 0 | 0 | 0 | 111 | E92 | E92-S94 PolarHBondContact O-N 3.43Å; E92-S94 PolarHBondContact OE1-OG 3.13Å | ||
| 95 | Q | 50.8 | Low | 46.9 | Very low | 198 Ų | 198 | 136 Ų | 136 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -40.5 | 128.2 | -167.4 | -59.8 | 169 | -15.5 | 0 | 0 | 117.5 | ||||
| 96 | S | 42 | Very low | 45.6 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -158.6 | 115.4 | 136.2 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 97 | H | 44 | Very low | 44.7 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 91% | 0.912 | 75% | 0.753 | S | S | * | * | trans | -129.5 | 40.5 | 165.9 | -79 | -21.2 | 0 | 0 | 0 | 110.1 | ||||
| 98 | L | 57.9 | Low | 44 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -127.3 | 76.6 | -174.6 | -67.7 | 178.3 | 0 | 0 | 0 | 111.2 | ||||
| 99 | R | 42.7 | Very low | 43.7 | Very low | 224 Ų | 224 | 133.1 Ų | 133.1 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -179.7 | 141.5 | 160.6 | -103.8 | 164.6 | 91.5 | 178 | 11.3 | 108.2 | ||||
| 100 | N | 36.8 | Very low | 43.8 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | cis | -139.6 | 160 | 15.5 | -57.6 | -82.6 | 0 | 0 | 0 | 113.2 | ||||
| 101 | S | 37.3 | Very low | 43.9 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -173.6 | 157.1 | 162.8 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 102 | P | 52 | Low | 45 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -98.2 | -155.9 | -1 | 34.5 | -17.9 | 0 | 0 | 0 | 111.2 | ||||
| 103 | E | 39.3 | Very low | 46 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | cis | -135.8 | 174.1 | 7.6 | -105.4 | -156.5 | 77.1 | 0 | 0 | 108.5 | K105 | E103-K105 IonicContact OE1-NZ 2.74Å; E103-K105 PolarHBondContact OE1-NZ 3.41Å | ||
| 104 | D | 36.6 | Very low | 46.8 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | cis | 172.6 | 166.2 | -30.5 | 176.8 | 37.6 | 0 | 0 | 0 | 107.5 | ||||
| 105 | K | 39.4 | Very low | 47.5 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 55% | 0.552 | 79% | 0.785 | S | S | * | * | trans | 69.5 | 138.1 | -179.8 | -59.5 | 159.4 | -160.7 | 66.7 | 0 | 112.3 | E103 | E103-K105 IonicContact OE1-NZ 2.74Å; E103-K105 PolarHBondContact OE1-NZ 3.41Å | ||
| 106 | R | 36.3 | Very low | 48.5 | Very low | 226 Ų | 226 | 146.7 Ų | 146.7 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | cis | -159.6 | 146.6 | 5.2 | -117.7 | 163.2 | -169.1 | 165.3 | 1.2 | 110.3 | ||||
| 107 | A | 37.7 | Very low | 50 | Low | 101 Ų | 101 | 149 Ų | 149 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | 37.2 | 119.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 108 | G | 40.6 | Very low | 50.8 | Low | 87 Ų | 87 | 150.7 Ų | 150.7 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | 92.4 | 113.5 | 141.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 109 | G | 43.6 | Very low | 50.4 | Low | 63 Ų | 63 | 150 Ų | 150 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | 160.2 | 82.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E111 | G109-E111 VanDerWaalsContact C-N 3.28Å; G109-E111 PolarHBondContact O-N 3.46Å | ||
| 110 | E | 48.5 | Very low | 50.8 | Low | 211 Ų | 211 | 146.1 Ų | 146.1 | 99% | 0.986 | 79% | 0.789 | S | S | * | * | trans | -92.9 | 46.3 | 177.3 | 62.7 | -169 | 109 | 0 | 0 | 112.5 | ||||
| 111 | E | 50.3 | Low | 51.6 | Low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -91.3 | 123.6 | 172.1 | 60.5 | -158.3 | 125 | 0 | 0 | 110.6 | G109 Q113 | G109-E111 VanDerWaalsContact C-N 3.28Å; G109-E111 PolarHBondContact O-N 3.46Å; E111-Q113 PolarHBondContact O-N 2.89Å | ||
| 112 | S | 68.1 | Low | 52.4 | Low | 90 Ų | 90 | 148.6 Ų | 148.6 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | -66.6 | 127.8 | -177.7 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | F114 E115 | S112-F114 PolarHBondContact O-N 3.4Å; S112-F114 PolarHBondContact OG-N 3.48Å; S112-E115 PolarHBondContact O-N 3.06Å | ||
| 113 | Q | 71.4 | Confident | 52.5 | Low | 173 Ų | 173 | 150.5 Ų | 150.5 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -11.8 | 176.5 | -169.2 | 172.6 | 19.9 | 0 | 0 | 113.6 | E111 | E111-Q113 PolarHBondContact O-N 2.89Š|
| 114 | F | 58.8 | Low | 53.3 | Low | 165 Ų | 165 | 150.2 Ų | 150.2 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | 71.9 | 176.4 | -53.4 | -78.9 | 0 | 0 | 0 | 110.4 | S112 | S112-F114 PolarHBondContact O-N 3.4Å; S112-F114 PolarHBondContact OG-N 3.48Å |
| 115 | E | 63.6 | Low | 54.5 | Low | 177 Ų | 177 | 152.6 Ų | 152.6 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | -76.3 | 129.5 | 152.5 | -170.2 | 156.3 | -146.5 | 0 | 0 | 108.2 | S112 | S112-E115 PolarHBondContact O-N 3.06Š| ||
| 116 | M | 70.6 | Confident | 55.7 | Low | 157 Ų | 157 | 154.6 Ų | 154.6 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -129 | 105.7 | -176.5 | 175.9 | 76.4 | 70.4 | 0 | 0 | 107.2 | ||||
| 117 | D | 73.9 | Confident | 57.3 | Low | 154 Ų | 154 | 148.7 Ų | 148.7 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | trans | -58.8 | 137.1 | 175.1 | -64.5 | -60.5 | 0 | 0 | 0 | 111.2 | ||||
| 118 | I | 60.7 | Low | 59.1 | Low | 232 Ų | 232 | 153 Ų | 153 | 100% | 1.19 | 83% | 0.829 | S | S | * | * | trans | -137 | 0 | -179.6 | 56.3 | 168.2 | 0 | 0 | 0 | 113.1 |
Retrieved 118 of 118 residues in 55.3 ms
(Link to these results)