| 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 | 29.9 | Very low | 42.4 | Very low | 204 Ų | 204 | 102.6 Ų | 102.6 | 100% | 1.005 | 57% | 0.57 | S | S | * | * | 0 | 100.9 | 0 | -65.5 | -78.3 | 176.3 | 0 | 0 | 109.3 | K3 | M1-K3 PolarHBondContact O-N 3.28Š| |||
| 2 | P | 38 | Very low | 42.7 | Very low | 114 Ų | 114 | 101.9 Ų | 101.9 | 74% | 0.74 | 57% | 0.574 | S | S | * | * | trans | -63.5 | 120.5 | 167.1 | 27.5 | -30.2 | 0 | 0 | 0 | 107.3 | G4 | P2-G4 PolarHBondContact O-N 3.26Š| ||
| 3 | K | 39.7 | Very low | 43.3 | Very low | 204 Ų | 204 | 102.5 Ų | 102.5 | 89% | 0.887 | 57% | 0.574 | S | S | * | * | trans | -62.2 | 103.1 | 172.8 | -70.1 | 175.3 | -179.5 | 175.2 | 0 | 106.6 | M1 L5 | M1-K3 PolarHBondContact O-N 3.28Å; K3-L5 PolarHBondContact O-N 2.83Å | ||
| 4 | G | 41.2 | Very low | 43.5 | Very low | 37 Ų | 37 | 107.9 Ų | 107.9 | 38% | 0.381 | 59% | 0.593 | S | S | . | * | trans | -52.1 | 123.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | P2 Y6 | P2-G4 PolarHBondContact O-N 3.26Å; G4-Y6 VanDerWaalsContact C-N 3.34Å; G4-Y6 WeakPolarHBondContact O-CD2 3.37Å; G4-Y6 WeakPolarHBondContact O-CE2 3.45Å; G4-Y6 PolarHBondContact O-N 3.17Å; G4-Y6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | L | 43.1 | Very low | 43.5 | Very low | 126 Ų | 126 | 111.9 Ų | 111.9 | 66% | 0.66 | 60% | 0.597 | S | S | * | * | trans | -71.8 | 102.5 | 166 | -81.1 | 153.3 | 0 | 0 | 0 | 104.7 | K3 L39 | K3-L5 PolarHBondContact O-N 2.83Å; L5-L39 HydrophobicContact CB-CD1 3.55Å; L5-L39 WeakPolarHBondContact O-CD1 3.46Å; L5-L39 WeakPolarHBondContact O-CG 3.47Å | ||
| 6 | Y | 42.1 | Very low | 43.4 | Very low | 107 Ų | 107 | 109 Ų | 109 | 42% | 0.42 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.2 | 175.3 | -61.2 | -81.7 | 0 | 0 | 0 | 107.8 | G4 R36 | G4-Y6 VanDerWaalsContact C-N 3.34Å; G4-Y6 WeakPolarHBondContact O-CD2 3.37Å; G4-Y6 WeakPolarHBondContact O-CE2 3.45Å; G4-Y6 PolarHBondContact O-N 3.17Å; G4-Y6 VanDerWaalsContact O-N 3.1Å; Y6-R36 HydrophobicContact CD1-CB 3.54Å; Y6-R36 HydrophobicContact CD1-CG 4.38Å; Y6-R36 VanDerWaalsContact CD1-O 3.31Å; Y6-R36 WeakPolarHBondContact CD1-O 3.44Å; Y6-R36 HydrophobicContact CE1-CB 4.3Å; Y6-R36 HydrophobicContact CG-CB 3.69Å; Y6-R36 HydrophobicContact CG-CG 4.03Å |
| 7 | A | 46.8 | Very low | 43.5 | Very low | 28 Ų | 28 | 107.8 Ų | 107.8 | 23% | 0.231 | 57% | 0.574 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 141.9 | 169 | 0 | 0 | 0 | 0 | 0 | 108.8 | I9 L39 | A7-I9 VanDerWaalsContact C-N 3.3Å; A7-I9 HydrophobicContact CB-CD1 4.05Å; A7-I9 HydrophobicContact CB-CG1 4.09Å; A7-I9 PolarHBondContact O-N 3.35Å; A7-L39 HydrophobicContact CB-CD2 3.82Å; A7-L39 HydrophobicContact CB-CG 4.48Å |
| 8 | D | 46.8 | Very low | 43.6 | Very low | 111 Ų | 111 | 106.8 Ų | 106.8 | 59% | 0.594 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74 | 84.4 | 175.4 | -64 | -33.2 | 0 | 0 | 0 | 108.5 | S34 | D8-S34 VanDerWaalsContact CG-OG 3.23Å; D8-S34 WeakPolarHBondContact OD1-CB 3.21Å; D8-S34 PolarHBondContact OD1-OG 3Å |
| 9 | I | 44.5 | Very low | 43.8 | Very low | 80 Ų | 80 | 105.6 Ų | 105.6 | 41% | 0.41 | 58% | 0.576 | S | S | . | * | trans | -128.2 | 138.6 | 176.4 | -54.9 | 174.4 | 0 | 0 | 0 | 108 | A7 C11 | A7-I9 VanDerWaalsContact C-N 3.3Å; A7-I9 HydrophobicContact CB-CD1 4.05Å; A7-I9 HydrophobicContact CB-CG1 4.09Å; A7-I9 PolarHBondContact O-N 3.35Å; I9-C11 PolarHBondContact O-N 2.93Å; I9-C11 PolarHBondContact O-SG 2.99Å | ||
| 10 | A | 47.6 | Very low | 44 | Very low | 98 Ų | 98 | 104.4 Ų | 104.4 | 81% | 0.81 | 57% | 0.568 | S | S | * | * | trans | -59.3 | 107.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 11 | C | 47.1 | Very low | 44 | Very low | 20 Ų | 20 | 105 Ų | 105 | 14% | 0.135 | 57% | 0.571 | C | S | . | * | trans | -82.7 | 138.6 | -179.4 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | I9 R35 C37 | I9-C11 PolarHBondContact O-N 2.93Å; I9-C11 PolarHBondContact O-SG 2.99Å; C11-R35 HydrophobicContact CB-CB 4.39Å; C11-C37 HydrophobicContact CB-CB 4.49Å; C11-C37 WeakPolarHBondContact CB-SG 3.45Å; C11-C37 VanDerWaalsContact SG-CA 3.52Å; C11-C37 WeakPolarHBondContact SG-CB 3.35Å; C11-C37 CovalentContact SG-SG 2Å; C11-C37 PolarHBondContact SG-SG 3.08Å | ||
| 12 | P | 46.1 | Very low | 44.7 | Very low | 94 Ų | 94 | 101.7 Ų | 101.7 | 61% | 0.61 | 56% | 0.556 | S | S | * | * | trans | -68.7 | 141.8 | 158.2 | 28.4 | -30.2 | 0 | 0 | 0 | 110.4 | E14 | P12-E14 PolarHBondContact O-N 3.32Š| ||
| 13 | D | 49.3 | Very low | 45.1 | Very low | 109 Ų | 109 | 102.9 Ų | 102.9 | 58% | 0.583 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -61.1 | -10.8 | -163.4 | -69.4 | -52.3 | 0 | 0 | 0 | 116.3 | Y15 I16 R35 | D13-Y15 VanDerWaalsContact C-N 3.35Å; D13-Y15 PolarHBondContact O-N 2.94Å; D13-I16 HydrophobicContact CB-CD1 4.3Å; D13-I16 WeakPolarHBondContact O-CD1 3.25Å; D13-I16 WeakPolarHBondContact O-CG1 3.23Å; D13-R35 IonicContact OD1-CZ 3.53Å; D13-R35 IonicContact OD1-NH1 2.7Å; D13-R35 PolarHBondContact OD1-NH1 3.29Å; D13-R35 IonicContact OD1-NH2 3.48Å; D13-R35 PolarHBondContact OD1-NH2 3.18Å |
| 14 | E | 47.2 | Very low | 45.1 | Very low | 179 Ų | 179 | 96.2 Ų | 96.2 | 84% | 0.836 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -77.4 | -12.6 | -176.3 | -77 | -174 | 146.4 | 0 | 0 | 115.2 | P12 | P12-E14 PolarHBondContact O-N 3.32Š|
| 15 | Y | 43.5 | Very low | 45.2 | Very low | 167 Ų | 167 | 100.6 Ų | 100.6 | 66% | 0.655 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -108.3 | 26.5 | -177.9 | -68.5 | -77.8 | 0 | 0 | 0 | 114 | D13 L17 | D13-Y15 VanDerWaalsContact C-N 3.35Å; D13-Y15 PolarHBondContact O-N 2.94Å; Y15-L17 PolarHBondContact O-N 3.03Å |
| 16 | I | 41.8 | Very low | 44.8 | Very low | 66 Ų | 66 | 97.2 Ų | 97.2 | 34% | 0.338 | 56% | 0.557 | S | S | . | * | trans | -75.4 | 114.2 | 175.1 | -59 | 168.2 | 0 | 0 | 0 | 108.7 | D13 D20 L21 | D13-I16 HydrophobicContact CB-CD1 4.3Å; D13-I16 WeakPolarHBondContact O-CD1 3.25Å; D13-I16 WeakPolarHBondContact O-CG1 3.23Å; I16-D20 HydrophobicContact CG2-CB 4.35Å; I16-L21 HydrophobicContact CG2-CD1 3.77Å; I16-L21 HydrophobicContact CG2-CG 4.08Å | ||
| 17 | L | 44.3 | Very low | 44.4 | Very low | 88 Ų | 88 | 101.1 Ų | 101.1 | 46% | 0.461 | 58% | 0.576 | S | S | . | * | trans | -63.9 | 136.7 | 167.1 | -82.6 | 154.4 | 0 | 0 | 0 | 108.7 | Y15 S19 D20 | Y15-L17 PolarHBondContact O-N 3.03Å; L17-S19 PolarHBondContact O-N 3.08Å; L17-D20 PolarHBondContact O-N 3.14Å | ||
| 18 | P | 45.8 | Very low | 43.9 | Very low | 91 Ų | 91 | 107.3 Ų | 107.3 | 59% | 0.591 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.4 | -17.2 | -179.4 | 21.8 | -31.9 | 0 | 0 | 0 | 113.7 | D20 L21 L22 | P18-D20 VanDerWaalsContact C-N 3.28Å; P18-D20 PolarHBondContact O-N 3.01Å; P18-L21 PolarHBondContact O-N 2.85Å; P18-L22 PolarHBondContact O-N 3.04Å |
| 19 | S | 47.3 | Very low | 43.3 | Very low | 84 Ų | 84 | 108.5 Ų | 108.5 | 59% | 0.587 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.3 | -27 | 173 | -58.1 | 0 | 0 | 0 | 0 | 113.7 | L17 | L17-S19 PolarHBondContact O-N 3.08Å |
| 20 | D | 48.5 | Very low | 42.9 | Very low | 81 Ų | 81 | 110.8 Ų | 110.8 | 43% | 0.433 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -83.6 | -27.4 | 178.4 | -66.3 | -23.7 | 0 | 0 | 0 | 111.8 | I16 L17 P18 L22 Q23 | I16-D20 HydrophobicContact CG2-CB 4.35Å; L17-D20 PolarHBondContact O-N 3.14Å; P18-D20 VanDerWaalsContact C-N 3.28Å; P18-D20 PolarHBondContact O-N 3.01Å; D20-L22 VanDerWaalsContact C-N 3.29Å; D20-L22 PolarHBondContact O-N 3.18Å; D20-Q23 PolarHBondContact O-N 3.11Å |
| 21 | L | 43.9 | Very low | 42.5 | Very low | 118 Ų | 118 | 111 Ų | 111 | 62% | 0.618 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.2 | -32.2 | 172.9 | -86.6 | 139.9 | 0 | 0 | 0 | 112.4 | I16 P18 Q23 G24 | I16-L21 HydrophobicContact CG2-CD1 3.77Å; I16-L21 HydrophobicContact CG2-CG 4.08Å; P18-L21 PolarHBondContact O-N 2.85Å; L21-Q23 VanDerWaalsContact C-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.23Å; L21-G24 PolarHBondContact O-N 2.8Å |
| 22 | L | 43.3 | Very low | 42 | Very low | 134 Ų | 134 | 115.4 Ų | 115.4 | 70% | 0.702 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -11.7 | 179.6 | -76.1 | 162.5 | 0 | 0 | 0 | 113.9 | P18 D20 G24 | P18-L22 PolarHBondContact O-N 3.04Å; D20-L22 VanDerWaalsContact C-N 3.29Å; D20-L22 PolarHBondContact O-N 3.18Å; L22-G24 VanDerWaalsContact C-N 3.3Å |
| 23 | Q | 46.6 | Very low | 41.9 | Very low | 138 Ų | 138 | 117.4 Ų | 117.4 | 65% | 0.645 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -1.5 | 171.6 | -79.5 | 178.9 | 3.2 | 0 | 0 | 113.2 | D20 L21 | D20-Q23 PolarHBondContact O-N 3.11Å; L21-Q23 VanDerWaalsContact C-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.23Å |
| 24 | G | 41.3 | Very low | 41.5 | Very low | 65 Ų | 65 | 115 Ų | 115 | 67% | 0.67 | 64% | 0.643 | S | S | * | * | trans | -85.7 | -9.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L21 L22 G26 | L21-G24 PolarHBondContact O-N 2.8Å; L22-G24 VanDerWaalsContact C-N 3.3Å; G24-G26 PolarHBondContact O-N 2.97Å | ||
| 25 | T | 43.4 | Very low | 41.3 | Very low | 129 Ų | 129 | 112.6 Ų | 112.6 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -93.3 | 75.1 | -179.2 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 26 | G | 33.5 | Very low | 41.1 | Very low | 55 Ų | 55 | 111.8 Ų | 111.8 | 57% | 0.567 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 159.8 | 80.8 | 168 | 0 | 0 | 0 | 0 | 0 | 116.1 | G24 | G24-G26 PolarHBondContact O-N 2.97Š|
| 27 | F | 34.4 | Very low | 41.4 | Very low | 189 Ų | 189 | 109.9 Ų | 109.9 | 83% | 0.829 | 62% | 0.615 | S | S | * | * | trans | 58.8 | 118.3 | 145 | -70.2 | -89.7 | 0 | 0 | 0 | 119.1 | ||||
| 28 | M | 35.5 | Very low | 41.7 | Very low | 157 Ų | 157 | 109.2 Ų | 109.2 | 77% | 0.773 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 69.3 | 71.3 | 145 | -58.1 | -68.3 | 140.6 | 0 | 0 | 115.7 | ||
| 29 | N | 34.6 | Very low | 42 | Very low | 137 Ų | 137 | 106.1 Ų | 106.1 | 73% | 0.733 | 59% | 0.594 | S | S | * | * | trans | 176.7 | 115.8 | 132.1 | -94.2 | -42.8 | 0 | 0 | 0 | 108.6 | V31 | N29-V31 HydrophobicContact CB-CG2 4.04Å; N29-V31 PolarHBondContact O-N 3.31Å | ||
| 30 | P | 36.2 | Very low | 42.5 | Very low | 128 Ų | 128 | 105.7 Ų | 105.7 | 83% | 0.831 | 59% | 0.588 | S | S | * | * | trans | -75.6 | 53.7 | 163 | 35.7 | -33.7 | 0 | 0 | 0 | 108.6 | S32 | P30-S32 PolarHBondContact O-N 2.73Š| ||
| 31 | V | 38.7 | Very low | 43 | Very low | 102 Ų | 102 | 105.1 Ų | 105.1 | 62% | 0.618 | 59% | 0.594 | S | S | * | * | trans | -67 | 104.5 | 155.1 | 172.8 | 0 | 0 | 0 | 0 | 102.2 | N29 Q33 | N29-V31 HydrophobicContact CB-CG2 4.04Å; N29-V31 PolarHBondContact O-N 3.31Å; V31-Q33 PolarHBondContact O-N 3.13Å | ||
| 32 | S | 37.2 | Very low | 44 | Very low | 113 Ų | 113 | 103.1 Ų | 103.1 | 79% | 0.79 | 59% | 0.59 | S | S | * | * | trans | -54.9 | 86.1 | 175.1 | -28.7 | 0 | 0 | 0 | 0 | 106.2 | P30 S34 | P30-S32 PolarHBondContact O-N 2.73Å; S32-S34 PolarHBondContact O-N 3.18Å | ||
| 33 | Q | 43.3 | Very low | 44.9 | Very low | 135 Ų | 135 | 99.9 Ų | 99.9 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | trans | -57 | 115.9 | 178.1 | -77.7 | -174.9 | 3.6 | 0 | 0 | 103.5 | V31 R35 | V31-Q33 PolarHBondContact O-N 3.13Å; Q33-R35 VanDerWaalsContact C-N 3.32Å; Q33-R35 PolarHBondContact O-N 3.03Å | ||
| 34 | S | 40.7 | Very low | 45.8 | Very low | 58 Ų | 58 | 98.4 Ų | 98.4 | 41% | 0.406 | 56% | 0.564 | S | S | . | * | trans | -53.1 | 104.4 | -179.7 | 50.5 | 0 | 0 | 0 | 0 | 106.7 | D8 S32 R36 | D8-S34 VanDerWaalsContact CG-OG 3.23Å; D8-S34 WeakPolarHBondContact OD1-CB 3.21Å; D8-S34 PolarHBondContact OD1-OG 3Å; S32-S34 PolarHBondContact O-N 3.18Å; S34-R36 PolarHBondContact O-N 2.87Å | ||
| 35 | R | 43 | Very low | 46.9 | Very low | 130 Ų | 130 | 103.6 Ų | 103.6 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | trans | -60.9 | 112.3 | -170.1 | -75.6 | -179.2 | 172.3 | -166.4 | -6 | 106.5 | C11 D13 Q33 C37 | C11-R35 HydrophobicContact CB-CB 4.39Å; D13-R35 IonicContact OD1-CZ 3.53Å; D13-R35 IonicContact OD1-NH1 2.7Å; D13-R35 PolarHBondContact OD1-NH1 3.29Å; D13-R35 IonicContact OD1-NH2 3.48Å; D13-R35 PolarHBondContact OD1-NH2 3.18Å; Q33-R35 VanDerWaalsContact C-N 3.32Å; Q33-R35 PolarHBondContact O-N 3.03Å; R35-C37 PolarHBondContact O-N 3.04Å | ||
| 36 | R | 41 | Very low | 48.3 | Very low | 150 Ų | 150 | 104 Ų | 104 | 57% | 0.566 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 87.2 | -172.2 | -85.5 | -169.1 | 179.5 | 178.1 | 7.9 | 109.1 | Y6 S34 | Y6-R36 HydrophobicContact CD1-CB 3.54Å; Y6-R36 HydrophobicContact CD1-CG 4.38Å; Y6-R36 VanDerWaalsContact CD1-O 3.31Å; Y6-R36 WeakPolarHBondContact CD1-O 3.44Å; Y6-R36 HydrophobicContact CE1-CB 4.3Å; Y6-R36 HydrophobicContact CG-CB 3.69Å; Y6-R36 HydrophobicContact CG-CG 4.03Å; S34-R36 PolarHBondContact O-N 2.87Å |
| 37 | C | 48.1 | Very low | 50 | Low | 26 Ų | 26 | 105.8 Ų | 105.8 | 18% | 0.176 | 55% | 0.553 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.1 | 142.9 | 175.6 | -101.2 | 0 | 0 | 0 | 0 | 111.6 | C11 R35 L39 | C11-C37 HydrophobicContact CB-CB 4.49Å; C11-C37 WeakPolarHBondContact CB-SG 3.45Å; C11-C37 VanDerWaalsContact SG-CA 3.52Å; C11-C37 WeakPolarHBondContact SG-CB 3.35Å; C11-C37 CovalentContact SG-SG 2Å; C11-C37 PolarHBondContact SG-SG 3.08Å; R35-C37 PolarHBondContact O-N 3.04Å; C37-L39 PolarHBondContact O-N 3.26Å |
| 38 | P | 49.8 | Very low | 51.8 | Low | 73 Ų | 73 | 101.6 Ų | 101.6 | 47% | 0.474 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 121.7 | 163.2 | 26.6 | -30.9 | 0 | 0 | 0 | 109 | T40 | P38-T40 PolarHBondContact O-N 3.36Å |
| 39 | L | 51.6 | Low | 53.6 | Low | 27 Ų | 27 | 100.9 Ų | 100.9 | 14% | 0.141 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -52.1 | 129.4 | 176 | -77 | 163.4 | 0 | 0 | 0 | 110.3 | L5 A7 C37 Q43 Q44 L47 | L5-L39 HydrophobicContact CB-CD1 3.55Å; L5-L39 WeakPolarHBondContact O-CD1 3.46Å; L5-L39 WeakPolarHBondContact O-CG 3.47Å; A7-L39 HydrophobicContact CB-CD2 3.82Å; A7-L39 HydrophobicContact CB-CG 4.48Å; C37-L39 PolarHBondContact O-N 3.26Å; L39-Q43 HydrophobicContact CD2-CB 3.83Å; L39-Q44 HydrophobicContact CB-CB 4.46Å; L39-L47 HydrophobicContact CD1-CD1 3.6Å; L39-L47 HydrophobicContact CD2-CD1 3.79Å; L39-L47 HydrophobicContact CG-CD1 4.39Å |
| 40 | T | 57.6 | Low | 55.2 | Low | 75 Ų | 75 | 96.7 Ų | 96.7 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -63 | 150.5 | 170.9 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | P38 S42 Q43 Q44 | P38-T40 PolarHBondContact O-N 3.36Å; T40-S42 PolarHBondContact O-N 3.4Å; T40-S42 PolarHBondContact OG1-OG 3.06Å; T40-Q43 PolarHBondContact O-N 3.3Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.12Å; T40-Q43 PolarHBondContact OG1-OE1 3.26Å; T40-Q44 PolarHBondContact O-N 3.43Å |
| 41 | A | 60.3 | Low | 56.7 | Low | 69 Ų | 69 | 93.2 Ų | 93.2 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -56.5 | -28.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R45 | A41-R45 WeakPolarHBondContact O-CB 3.3Å; A41-R45 VanDerWaalsContact O-CG 3.26Å; A41-R45 WeakPolarHBondContact O-CG 3.47Å; A41-R45 PolarHBondContact O-N 3.5Å; A41-R45 VanDerWaalsContact O-N 3.11Å |
| 42 | S | 64.3 | Low | 58.1 | Low | 75 Ų | 75 | 93.5 Ų | 93.5 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.5 | -46 | 174.3 | 52 | 0 | 0 | 0 | 0 | 112.3 | T40 R45 Q46 | T40-S42 PolarHBondContact O-N 3.4Å; T40-S42 PolarHBondContact OG1-OG 3.06Å; S42-R45 WeakPolarHBondContact O-CB 3.41Å; S42-R45 PolarHBondContact O-N 3.04Å; S42-Q46 PolarHBondContact O-N 3.09Å |
| 43 | Q | 61.2 | Low | 59.6 | Low | 67 Ų | 67 | 93.1 Ų | 93.1 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 176.8 | -71.2 | 175.2 | -18.5 | 0 | 0 | 111.6 | L39 T40 R45 Q46 L47 | L39-Q43 HydrophobicContact CD2-CB 3.83Å; T40-Q43 PolarHBondContact O-N 3.3Å; T40-Q43 WeakPolarHBondContact OG1-CG 3.12Å; T40-Q43 PolarHBondContact OG1-OE1 3.26Å; Q43-R45 VanDerWaalsContact C-N 3.29Å; Q43-R45 PolarHBondContact O-N 3.05Å; Q43-Q46 PolarHBondContact O-N 3.34Å; Q43-L47 WeakPolarHBondContact O-CB 3.48Å; Q43-L47 PolarHBondContact O-N 3.31Å |
| 44 | Q | 65.8 | Low | 60.6 | Low | 106 Ų | 106 | 91 Ų | 91 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 174.4 | -165.7 | 179.9 | 8.8 | 0 | 0 | 111.2 | L39 T40 L48 | L39-Q44 HydrophobicContact CB-CB 4.46Å; T40-Q44 PolarHBondContact O-N 3.43Å; Q44-L48 VanDerWaalsContact O-CB 3.25Å; Q44-L48 WeakPolarHBondContact O-CB 3.24Å; Q44-L48 PolarHBondContact O-N 3.01Å |
| 45 | R | 65.1 | Low | 61.5 | Low | 174 Ų | 174 | 96.6 Ų | 96.6 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.2 | -40.9 | 173.9 | -78.3 | 173.9 | 179.4 | -178.4 | 0.1 | 112.6 | A41 S42 Q43 L48 K49 | A41-R45 WeakPolarHBondContact O-CB 3.3Å; A41-R45 VanDerWaalsContact O-CG 3.26Å; A41-R45 WeakPolarHBondContact O-CG 3.47Å; A41-R45 PolarHBondContact O-N 3.5Å; A41-R45 VanDerWaalsContact O-N 3.11Å; S42-R45 WeakPolarHBondContact O-CB 3.41Å; S42-R45 PolarHBondContact O-N 3.04Å; Q43-R45 VanDerWaalsContact C-N 3.29Å; Q43-R45 PolarHBondContact O-N 3.05Å; R45-L48 PolarHBondContact O-N 2.97Å; R45-K49 WeakPolarHBondContact O-CB 3.5Å; R45-K49 WeakPolarHBondContact O-CG 3.21Å; R45-K49 PolarHBondContact O-N 3.13Å |
| 46 | Q | 72.4 | Confident | 62.1 | Low | 139 Ų | 139 | 97 Ų | 97 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | 176.5 | -80.5 | 178.5 | -16.9 | 0 | 0 | 111.8 | S42 Q43 L48 K49 A50 | S42-Q46 PolarHBondContact O-N 3.09Å; Q43-Q46 PolarHBondContact O-N 3.34Å; Q46-L48 VanDerWaalsContact C-N 3.32Å; Q46-L48 PolarHBondContact O-N 2.91Å; Q46-K49 PolarHBondContact O-N 3.25Å; Q46-A50 WeakPolarHBondContact O-CB 3.29Å; Q46-A50 PolarHBondContact O-N 3Å |
| 47 | L | 70 | Confident | 62.9 | Low | 91 Ų | 91 | 95.8 Ų | 95.8 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 174.4 | -82.6 | 162.3 | 0 | 0 | 0 | 111.7 | L39 Q43 A50 A51 | L39-L47 HydrophobicContact CD1-CD1 3.6Å; L39-L47 HydrophobicContact CD2-CD1 3.79Å; L39-L47 HydrophobicContact CG-CD1 4.39Å; Q43-L47 WeakPolarHBondContact O-CB 3.48Å; Q43-L47 PolarHBondContact O-N 3.31Å; L47-A50 PolarHBondContact O-N 3.43Å; L47-A51 VanDerWaalsContact O-CB 3.24Å; L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 3.24Å |
| 48 | L | 71.5 | Confident | 63.3 | Low | 102 Ų | 102 | 101.2 Ų | 101.2 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 175.9 | -161 | 99.2 | 0 | 0 | 0 | 111.4 | Q44 R45 Q46 A51 M52 | Q44-L48 VanDerWaalsContact O-CB 3.25Å; Q44-L48 WeakPolarHBondContact O-CB 3.24Å; Q44-L48 PolarHBondContact O-N 3.01Å; R45-L48 PolarHBondContact O-N 2.97Å; Q46-L48 VanDerWaalsContact C-N 3.32Å; Q46-L48 PolarHBondContact O-N 2.91Å; L48-A51 PolarHBondContact O-N 3.1Å; L48-M52 HydrophobicContact CD2-CE 3.59Å; L48-M52 HydrophobicContact CG-CE 4.03Å; L48-M52 WeakPolarHBondContact O-CB 3.45Å; L48-M52 WeakPolarHBondContact O-CG 3.35Å; L48-M52 PolarHBondContact O-N 2.9Å |
| 49 | K | 72.9 | Confident | 63.5 | Low | 141 Ų | 141 | 105.2 Ų | 105.2 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -49.5 | 174.1 | -81.1 | -176 | 176.2 | -172.2 | 0 | 111.2 | R45 Q46 A51 M52 I53 | R45-K49 WeakPolarHBondContact O-CB 3.5Å; R45-K49 WeakPolarHBondContact O-CG 3.21Å; R45-K49 PolarHBondContact O-N 3.13Å; Q46-K49 PolarHBondContact O-N 3.25Å; K49-A51 VanDerWaalsContact C-N 3.32Å; K49-A51 PolarHBondContact O-N 2.76Å; K49-M52 PolarHBondContact O-N 3.42Å; K49-I53 VanDerWaalsContact O-CG1 3.3Å; K49-I53 WeakPolarHBondContact O-CG1 3.44Å; K49-I53 PolarHBondContact O-N 3.42Å |
| 50 | A | 68.2 | Low | 63.4 | Low | 49 Ų | 49 | 110.2 Ų | 110.2 | 41% | 0.405 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.3 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q46 L47 I53 N54 | Q46-A50 WeakPolarHBondContact O-CB 3.29Å; Q46-A50 PolarHBondContact O-N 3Å; L47-A50 PolarHBondContact O-N 3.43Å; A50-I53 PolarHBondContact O-N 2.95Å; A50-N54 PolarHBondContact O-N 3.45Å |
| 51 | A | 68.7 | Low | 62.8 | Low | 55 Ų | 55 | 111.2 Ų | 111.2 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.7 | -36.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L47 L48 K49 R55 | L47-A51 VanDerWaalsContact O-CB 3.24Å; L47-A51 WeakPolarHBondContact O-CB 3.39Å; L47-A51 PolarHBondContact O-N 3.24Å; L48-A51 PolarHBondContact O-N 3.1Å; K49-A51 VanDerWaalsContact C-N 3.32Å; K49-A51 PolarHBondContact O-N 2.76Å; A51-R55 PolarHBondContact O-N 3.4Å |
| 52 | M | 68.2 | Low | 62.1 | Low | 108 Ų | 108 | 113.1 Ų | 113.1 | 53% | 0.532 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.2 | -42.4 | 173.9 | -81.1 | -173.1 | -71.1 | 0 | 0 | 111.8 | L48 K49 R55 M56 | L48-M52 HydrophobicContact CD2-CE 3.59Å; L48-M52 HydrophobicContact CG-CE 4.03Å; L48-M52 WeakPolarHBondContact O-CB 3.45Å; L48-M52 WeakPolarHBondContact O-CG 3.35Å; L48-M52 PolarHBondContact O-N 2.9Å; K49-M52 PolarHBondContact O-N 3.42Å; M52-R55 PolarHBondContact O-N 2.94Å; M52-M56 WeakPolarHBondContact O-CB 3.47Å; M52-M56 PolarHBondContact O-N 3.49Å |
| 53 | I | 68.6 | Low | 61.5 | Low | 105 Ų | 105 | 114.2 Ų | 114.2 | 54% | 0.538 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.3 | -50.7 | 175.6 | -67.3 | 165.1 | 0 | 0 | 0 | 110 | K49 A50 R55 M56 E57 | K49-I53 VanDerWaalsContact O-CG1 3.3Å; K49-I53 WeakPolarHBondContact O-CG1 3.44Å; K49-I53 PolarHBondContact O-N 3.42Å; A50-I53 PolarHBondContact O-N 2.95Å; I53-R55 VanDerWaalsContact C-N 3.33Å; I53-R55 PolarHBondContact O-N 2.84Å; I53-M56 WeakPolarHBondContact O-CB 3.4Å; I53-M56 PolarHBondContact O-N 3.22Å; I53-M56 VanDerWaalsContact O-N 3.09Å; I53-E57 PolarHBondContact O-N 3.36Å |
| 54 | N | 64.5 | Low | 60.7 | Low | 92 Ų | 92 | 115.7 Ų | 115.7 | 49% | 0.492 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.9 | -39.1 | 177.6 | -89.1 | -28.7 | 0 | 0 | 0 | 113.2 | A50 E57 Q58 | A50-N54 PolarHBondContact O-N 3.45Å; N54-E57 PolarHBondContact O-N 3.24Å; N54-Q58 WeakPolarHBondContact O-CG 3.25Å; N54-Q58 PolarHBondContact O-N 2.99Å |
| 55 | R | 57.8 | Low | 59.8 | Low | 175 Ų | 175 | 118.2 Ų | 118.2 | 66% | 0.66 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.2 | -38.9 | 175.3 | -87.1 | -164.5 | 178.1 | 179.4 | 0.1 | 112 | A51 M52 I53 E57 Q58 H59 | A51-R55 PolarHBondContact O-N 3.4Å; M52-R55 PolarHBondContact O-N 2.94Å; I53-R55 VanDerWaalsContact C-N 3.33Å; I53-R55 PolarHBondContact O-N 2.84Å; R55-E57 VanDerWaalsContact C-N 3.34Å; R55-Q58 PolarHBondContact O-N 2.92Å; R55-H59 PolarHBondContact O-CD2 3.24Å; R55-H59 PolarHBondContact O-N 2.86Å |
| 56 | M | 57.1 | Low | 59.3 | Low | 137 Ų | 137 | 115.8 Ų | 115.8 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.4 | -45.6 | 177.2 | -143.6 | 176.3 | -167.3 | 0 | 0 | 109.8 | M52 I53 Q58 H59 L60 | M52-M56 WeakPolarHBondContact O-CB 3.47Å; M52-M56 PolarHBondContact O-N 3.49Å; I53-M56 WeakPolarHBondContact O-CB 3.4Å; I53-M56 PolarHBondContact O-N 3.22Å; I53-M56 VanDerWaalsContact O-N 3.09Å; M56-Q58 VanDerWaalsContact C-N 3.32Å; M56-Q58 PolarHBondContact O-N 3.13Å; M56-H59 PolarHBondContact O-N 3.48Å; M56-H59 VanDerWaalsContact O-N 3.08Å; M56-L60 HydrophobicContact CG-CD1 4.19Å; M56-L60 WeakPolarHBondContact O-CD1 3.35Å; M56-L60 PolarHBondContact O-N 2.88Å |
| 57 | E | 57.5 | Low | 57.9 | Low | 125 Ų | 125 | 119.2 Ų | 119.2 | 58% | 0.584 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -58.5 | -40.9 | 174.6 | -71.6 | -173.3 | 126.8 | 0 | 0 | 112.8 | I53 N54 R55 H59 L60 | I53-E57 PolarHBondContact O-N 3.36Å; N54-E57 PolarHBondContact O-N 3.24Å; R55-E57 VanDerWaalsContact C-N 3.34Å; E57-H59 VanDerWaalsContact C-N 3.3Å; E57-H59 PolarHBondContact O-N 3.41Å; E57-L60 PolarHBondContact O-N 3.45Å |
| 58 | Q | 57 | Low | 57.3 | Low | 141 Ų | 141 | 120.2 Ų | 120.2 | 66% | 0.659 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.9 | -27 | 176.4 | -73.4 | 176.7 | -2 | 0 | 0 | 113.8 | N54 R55 M56 T61 | N54-Q58 WeakPolarHBondContact O-CG 3.25Å; N54-Q58 PolarHBondContact O-N 2.99Å; R55-Q58 PolarHBondContact O-N 2.92Å; M56-Q58 VanDerWaalsContact C-N 3.32Å; M56-Q58 PolarHBondContact O-N 3.13Å; Q58-T61 PolarHBondContact O-OG1 3.43Å |
| 59 | H | 54.1 | Low | 56.4 | Low | 157 Ų | 157 | 120.2 Ų | 120.2 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -86.2 | -14.4 | 175.6 | -73.5 | -60.6 | 0 | 0 | 0 | 113.3 | R55 M56 E57 | R55-H59 PolarHBondContact O-CD2 3.24Å; R55-H59 PolarHBondContact O-N 2.86Å; M56-H59 PolarHBondContact O-N 3.48Å; M56-H59 VanDerWaalsContact O-N 3.08Å; E57-H59 VanDerWaalsContact C-N 3.3Å; E57-H59 PolarHBondContact O-N 3.41Å |
| 60 | L | 48.7 | Very low | 55.5 | Low | 131 Ų | 131 | 121.2 Ų | 121.2 | 69% | 0.686 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -83.3 | -14.7 | 174.9 | -93.3 | 118.6 | 0 | 0 | 0 | 113.5 | M56 E57 P62 | M56-L60 HydrophobicContact CG-CD1 4.19Å; M56-L60 WeakPolarHBondContact O-CD1 3.35Å; M56-L60 PolarHBondContact O-N 2.88Å; E57-L60 PolarHBondContact O-N 3.45Å; L60-P62 VanDerWaalsContact O-CD 3.23Å; L60-P62 WeakPolarHBondContact O-CD 2.97Å |
| 61 | T | 44.3 | Very low | 54.9 | Low | 97 Ų | 97 | 124.1 Ų | 124.1 | 60% | 0.595 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -75.5 | 110.7 | 163.7 | 50.2 | 0 | 0 | 0 | 0 | 108.1 | Q58 | Q58-T61 PolarHBondContact O-OG1 3.43Š|
| 62 | P | 46 | Very low | 54.6 | Low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 70% | 0.696 | S | S | * | * | trans | -56.9 | 138.8 | 176.9 | 24.5 | -32.2 | 0 | 0 | 0 | 107.8 | L60 A64 | L60-P62 VanDerWaalsContact O-CD 3.23Å; L60-P62 WeakPolarHBondContact O-CD 2.97Å; P62-A64 PolarHBondContact O-N 2.88Å | ||
| 63 | P | 51 | Low | 54 | Low | 98 Ų | 98 | 135 Ų | 135 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | trans | -56.8 | 113 | 174.2 | 24.5 | -31.6 | 0 | 0 | 0 | 106.4 | F65 | P63-F65 HydrophobicContact CG-CD2 4.38Å; P63-F65 HydrophobicContact CG-CE2 3.99Å; P63-F65 WeakPolarHBondContact O-CD2 3.24Å; P63-F65 PolarHBondContact O-N 2.87Å | ||
| 64 | A | 46.2 | Very low | 53.4 | Low | 98 Ų | 98 | 131.3 Ų | 131.3 | 81% | 0.81 | 70% | 0.701 | S | S | * | * | trans | -61.4 | 91.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | P62 P66 | P62-A64 PolarHBondContact O-N 2.88Å; A64-P66 WeakPolarHBondContact O-CD 3.41Å | ||
| 65 | F | 46.9 | Very low | 53 | Low | 159 Ų | 159 | 132.8 Ų | 132.8 | 70% | 0.697 | 72% | 0.716 | S | S | * | * | trans | -57.7 | 124.8 | 169.2 | -83.6 | -84.7 | 0 | 0 | 0 | 106.2 | P63 Y67 | P63-F65 HydrophobicContact CG-CD2 4.38Å; P63-F65 HydrophobicContact CG-CE2 3.99Å; P63-F65 WeakPolarHBondContact O-CD2 3.24Å; P63-F65 PolarHBondContact O-N 2.87Å; F65-Y67 HydrophobicContact CB-CD2 4.34Å; F65-Y67 HydrophobicContact CB-CE2 4.45Å; F65-Y67 PolarHBondContact O-N 3.1Å | ||
| 66 | P | 53.2 | Low | 53.2 | Low | 123 Ų | 123 | 132.2 Ų | 132.2 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | trans | -73.6 | 80.2 | 176.3 | 30.9 | -32.7 | 0 | 0 | 0 | 107.6 | A64 | A64-P66 WeakPolarHBondContact O-CD 3.41Š| ||
| 67 | Y | 43.8 | Very low | 53.6 | Low | 211 Ų | 211 | 132.7 Ų | 132.7 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | -65.3 | 124 | 155.6 | -84.3 | -83.9 | 0 | 0 | 0 | 106.2 | F65 A69 | F65-Y67 HydrophobicContact CB-CD2 4.34Å; F65-Y67 HydrophobicContact CB-CE2 4.45Å; F65-Y67 PolarHBondContact O-N 3.1Å; Y67-A69 PolarHBondContact O-N 3.17Å | ||
| 68 | P | 56.1 | Low | 53.5 | Low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | -58.4 | 128.9 | 177.8 | 24.4 | -32.2 | 0 | 0 | 0 | 108 | L70 | P68-L70 PolarHBondContact O-N 2.92Š| ||
| 69 | A | 53.8 | Low | 53.9 | Low | 101 Ų | 101 | 129.3 Ų | 129.3 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | trans | -54.3 | 115.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y67 | Y67-A69 PolarHBondContact O-N 3.17Š| ||
| 70 | L | 54.2 | Low | 54.3 | Low | 162 Ų | 162 | 127.4 Ų | 127.4 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | trans | -54 | 136.4 | 169.5 | -85.7 | 147.7 | 0 | 0 | 0 | 108.5 | P68 F72 | P68-L70 PolarHBondContact O-N 2.92Å; L70-F72 PolarHBondContact O-N 2.92Å; L70-F72 VanDerWaalsContact O-N 3.14Å | ||
| 71 | P | 55.7 | Low | 55 | Low | 110 Ų | 110 | 127.8 Ų | 127.8 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | trans | -61.4 | 121 | -176.2 | 24.3 | -32.3 | 0 | 0 | 0 | 109.6 | Q73 | P71-Q73 PolarHBondContact O-N 3.33Å; P71-Q73 VanDerWaalsContact O-N 3.08Å | ||
| 72 | F | 61.1 | Low | 55.7 | Low | 197 Ų | 197 | 130.3 Ų | 130.3 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | -60.2 | 109.4 | 176.1 | -173.5 | -101 | 0 | 0 | 0 | 109.4 | L70 G74 | L70-F72 PolarHBondContact O-N 2.92Å; L70-F72 VanDerWaalsContact O-N 3.14Å; F72-G74 PolarHBondContact O-N 3.28Å | ||
| 73 | Q | 55.6 | Low | 56 | Low | 196 Ų | 196 | 129.5 Ų | 129.5 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | trans | -80.1 | 67.8 | 170.3 | -65.6 | -167 | 8 | 0 | 0 | 109.5 | P71 | P71-Q73 PolarHBondContact O-N 3.33Å; P71-Q73 VanDerWaalsContact O-N 3.08Å | ||
| 74 | G | 56.1 | Low | 56.5 | Low | 26 Ų | 26 | 133.1 Ų | 133.1 | 27% | 0.268 | 76% | 0.763 | S | S | . | * | trans | -89.2 | 153.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F72 I76 | F72-G74 PolarHBondContact O-N 3.28Å; G74-I76 PolarHBondContact O-N 2.89Å | ||
| 75 | P | 56.6 | Low | 56.7 | Low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -59.4 | 131 | -178.6 | 24 | -32.3 | 0 | 0 | 0 | 111 | I77 | P75-I77 PolarHBondContact O-N 3.49Š| ||
| 76 | I | 62.1 | Low | 57.1 | Low | 163 Ų | 163 | 135.2 Ų | 135.2 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -69.1 | 93.7 | 177.8 | -56.8 | 168.1 | 0 | 0 | 0 | 107.5 | G74 P78 | G74-I76 PolarHBondContact O-N 2.89Å; I76-P78 WeakPolarHBondContact O-CD 3.42Å | ||
| 77 | I | 64.9 | Low | 57.3 | Low | 147 Ų | 147 | 141.1 Ų | 141.1 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 119.4 | 169.6 | -58.9 | 172 | 0 | 0 | 0 | 106.6 | P75 A79 | P75-I77 PolarHBondContact O-N 3.49Å; I77-A79 PolarHBondContact O-N 3.33Å |
| 78 | P | 55.2 | Low | 58 | Low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64 | 120.9 | 178.1 | 24.5 | -31 | 0 | 0 | 0 | 109 | I76 | I76-P78 WeakPolarHBondContact O-CD 3.42Š|
| 79 | A | 66.2 | Low | 58.3 | Low | 85 Ų | 85 | 138 Ų | 138 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 128.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | I77 T81 | I77-A79 PolarHBondContact O-N 3.33Å; A79-T81 PolarHBondContact O-N 3.36Å |
| 80 | P | 61.8 | Low | 58.9 | Low | 116 Ų | 116 | 140.7 Ų | 140.7 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 127.8 | 173.9 | 19.9 | -27 | 0 | 0 | 0 | 109.5 | L82 | P80-L82 PolarHBondContact O-N 2.97Š|
| 81 | T | 64.3 | Low | 59.5 | Low | 140 Ų | 140 | 138.8 Ų | 138.8 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | trans | -63.6 | 103.2 | -179.8 | 50.6 | 0 | 0 | 0 | 0 | 109.6 | A79 | A79-T81 PolarHBondContact O-N 3.36Š| ||
| 82 | L | 58.9 | Low | 60.3 | Low | 150 Ų | 150 | 139.1 Ų | 139.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -68.6 | 136.8 | 172.8 | -69.8 | 168.6 | 0 | 0 | 0 | 109.4 | P80 L84 | P80-L82 PolarHBondContact O-N 2.97Å; L82-L84 PolarHBondContact O-N 3.42Å | ||
| 83 | P | 52.5 | Low | 60.9 | Low | 91 Ų | 91 | 138.5 Ų | 138.5 | 59% | 0.591 | 77% | 0.767 | S | S | * | * | trans | -63.8 | 123.8 | -176.8 | 23.7 | -32.2 | 0 | 0 | 0 | 111.4 | N85 H86 | P83-N85 PolarHBondContact O-N 2.93Å; P83-H86 PolarHBondContact O-ND1 2.86Å | ||
| 84 | L | 60.9 | Low | 61.7 | Low | 174 Ų | 174 | 136.5 Ų | 136.5 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -60.9 | 11.1 | -173.9 | -86.7 | 139.9 | 0 | 0 | 0 | 116.6 | L82 | L82-L84 PolarHBondContact O-N 3.42Š|
| 85 | N | 50.7 | Low | 62.7 | Low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -106.3 | 31.9 | -179 | -76.4 | -41.7 | 0 | 0 | 0 | 113.8 | P83 | P83-N85 PolarHBondContact O-N 2.93Š| ||
| 86 | H | 54.8 | Low | 63.5 | Low | 143 Ų | 143 | 141.1 Ų | 141.1 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | trans | -92.7 | 107.4 | 168.7 | -74.5 | 64.6 | 0 | 0 | 0 | 108.6 | P83 H88 | P83-H86 PolarHBondContact O-ND1 2.86Å; H86-H88 PolarHBondContact O-N 3.11Å | ||
| 87 | R | 57.4 | Low | 64.2 | Low | 248 Ų | 248 | 138.2 Ų | 138.2 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | trans | -43.3 | 110.6 | 171.1 | -76.5 | -179.3 | 171.2 | -178.4 | -2.7 | 108.5 | G89 | R87-G89 PolarHBondContact O-N 3.43Š| ||
| 88 | H | 59.8 | Low | 64.8 | Low | 186 Ų | 186 | 136.9 Ų | 136.9 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -57.3 | 102.6 | 174.8 | -62.6 | -59.9 | 0 | 0 | 0 | 108.2 | H86 L90 | H86-H88 PolarHBondContact O-N 3.11Å; H88-L90 PolarHBondContact O-N 2.94Å | ||
| 89 | G | 61 | Low | 65.7 | Low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -59 | 118.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | R87 | R87-G89 PolarHBondContact O-N 3.43Š| ||
| 90 | L | 67.1 | Low | 66.3 | Low | 158 Ų | 158 | 148 Ų | 148 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -50.7 | 134 | 177.2 | -78.6 | 156.2 | 0 | 0 | 0 | 109.3 | H88 V92 | H88-L90 PolarHBondContact O-N 2.94Å; L90-V92 PolarHBondContact O-N 2.65Å | ||
| 91 | P | 65.9 | Low | 67 | Low | 122 Ų | 122 | 148 Ų | 148 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -62.9 | 114.3 | 179.8 | 25.2 | -32.4 | 0 | 0 | 0 | 109.1 | Q93 | P91-Q93 PolarHBondContact O-N 2.97Å; P91-Q93 VanDerWaalsContact O-N 3.11Å | ||
| 92 | V | 72.8 | Confident | 67.5 | Low | 118 Ų | 118 | 146.6 Ų | 146.6 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | trans | -67.7 | 108.8 | 171.5 | 178.9 | 0 | 0 | 0 | 0 | 107 | L90 M94 | L90-V92 PolarHBondContact O-N 2.65Å; V92-M94 HydrophobicContact CG1-SD 4.36Å; V92-M94 PolarHBondContact O-N 2.91Å | ||
| 93 | Q | 75.1 | Confident | 68.5 | Low | 183 Ų | 183 | 150 Ų | 150 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -65.7 | 101.7 | 173.1 | -169 | 171.5 | 41 | 0 | 0 | 108 | P91 A95 | P91-Q93 PolarHBondContact O-N 2.97Å; P91-Q93 VanDerWaalsContact O-N 3.11Å; Q93-A95 PolarHBondContact O-N 3.2Å | ||
| 94 | M | 71.6 | Confident | 69.8 | Low | 155 Ų | 155 | 151.6 Ų | 151.6 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 127.3 | 177.1 | -64.1 | -63.6 | -76.7 | 0 | 0 | 108.6 | V92 L96 | V92-M94 HydrophobicContact CG1-SD 4.36Å; V92-M94 PolarHBondContact O-N 2.91Å; M94-L96 PolarHBondContact O-N 2.97Å; M94-L96 VanDerWaalsContact O-N 3.13Å |
| 95 | A | 77.7 | Confident | 70.6 | Confident | 99 Ų | 99 | 152.6 Ų | 152.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -54 | 120.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q93 | Q93-A95 PolarHBondContact O-N 3.2Š|
| 96 | L | 73.6 | Confident | 71.9 | Confident | 147 Ų | 147 | 150.9 Ų | 150.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 133.3 | 173.4 | -79.9 | 142.9 | 0 | 0 | 0 | 108.8 | M94 | M94-L96 PolarHBondContact O-N 2.97Å; M94-L96 VanDerWaalsContact O-N 3.13Å |
| 97 | P | 75.6 | Confident | 73.2 | Confident | 102 Ų | 102 | 149.2 Ų | 149.2 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 139.5 | 176.9 | 24.4 | -32.3 | 0 | 0 | 0 | 109 | F99 | P97-F99 PolarHBondContact O-N 3.4Š|
| 98 | P | 77.2 | Confident | 74.4 | Confident | 119 Ų | 119 | 148.9 Ų | 148.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 127.4 | -176.5 | 21.6 | -31.8 | 0 | 0 | 0 | 109.8 | R100 | P98-R100 PolarHBondContact O-N 3Š|
| 99 | F | 75 | Confident | 75.6 | Confident | 197 Ų | 197 | 142.3 Ų | 142.3 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -53.6 | 112.7 | 171.7 | -91.3 | -92 | 0 | 0 | 0 | 108.3 | P97 P101 | P97-F99 PolarHBondContact O-N 3.4Å; F99-P101 VanDerWaalsContact O-CD 3.25Å; F99-P101 WeakPolarHBondContact O-CD 3.48Å | ||
| 100 | R | 78 | Confident | 76.9 | Confident | 231 Ų | 231 | 141.6 Ų | 141.6 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 117.2 | 169.9 | -71.2 | -172.9 | 179.1 | -179.5 | -0 | 106.7 | P98 S102 | P98-R100 PolarHBondContact O-N 3Å; R100-S102 PolarHBondContact O-N 3.25Å |
| 101 | P | 76.2 | Confident | 78.1 | Confident | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -56 | 135.4 | 175.4 | 21.8 | -30.8 | 0 | 0 | 0 | 108.8 | F99 R103 | F99-P101 VanDerWaalsContact O-CD 3.25Å; F99-P101 WeakPolarHBondContact O-CD 3.48Å; P101-R103 PolarHBondContact O-N 3.25Å |
| 102 | S | 76.8 | Confident | 79.3 | Confident | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 125.6 | 172.9 | 163.2 | 0 | 0 | 0 | 0 | 108.6 | R100 | R100-S102 PolarHBondContact O-N 3.25Š|
| 103 | R | 79.9 | Confident | 80.1 | Confident | 223 Ų | 223 | 138.7 Ų | 138.7 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 133.4 | 177.5 | -70.2 | -174.4 | -175.8 | -145 | 2.7 | 108.9 | P101 K105 | P101-R103 PolarHBondContact O-N 3.25Å; R103-K105 PolarHBondContact O-N 3.11Å |
| 104 | P | 78.8 | Confident | 80.9 | Confident | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.1 | 175.8 | 21 | -29.9 | 0 | 0 | 0 | 108.9 | ||
| 105 | K | 77.3 | Confident | 81.9 | Confident | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 138.6 | 171.7 | -70.6 | 176.8 | -178.3 | 173.8 | 0 | 107.4 | R103 S107 | R103-K105 PolarHBondContact O-N 3.11Å; K105-S107 PolarHBondContact O-N 2.95Å |
| 106 | P | 79 | Confident | 82.7 | Confident | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 141.6 | 175.7 | 23.9 | -32.3 | 0 | 0 | 0 | 109.5 | ||
| 107 | S | 81.5 | Confident | 83.7 | Confident | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 141 | 173.3 | 47 | 0 | 0 | 0 | 0 | 109.5 | K105 | K105-S107 PolarHBondContact O-N 2.95Š|
| 108 | R | 83.3 | Confident | 84.5 | Confident | 240 Ų | 240 | 130.2 Ų | 130.2 | 91% | 0.906 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 130.7 | 170.6 | -69 | -174.8 | 178.7 | -173.4 | -0.1 | 107.3 | ||
| 109 | P | 84 | Confident | 85.3 | Confident | 48 Ų | 48 | 130.9 Ų | 130.9 | 31% | 0.312 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -62 | 147.2 | 178.6 | -13.1 | 24.3 | 0 | 0 | 0 | 110.3 | E113 Y114 | P109-E113 WeakPolarHBondContact CA-OE2 3.47Å; P109-E113 HydrophobicContact CB-CB 4.07Å; P109-E113 WeakPolarHBondContact CB-OE2 3.4Å; P109-Y114 HydrophobicContact CB-CD2 3.73Å; P109-Y114 HydrophobicContact CB-CE2 3.46Å; P109-Y114 VanDerWaalsContact CB-CE2 3.46Å; P109-Y114 HydrophobicContact CG-CD2 4.19Å; P109-Y114 HydrophobicContact CG-CE1 4.39Å; P109-Y114 HydrophobicContact CG-CE2 3.44Å; P109-Y114 VanDerWaalsContact CG-CE2 3.44Å |
| 110 | S | 88.8 | Confident | 86.2 | Confident | 56 Ų | 56 | 128.2 Ų | 128.2 | 39% | 0.392 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 158.8 | 171 | 71.6 | 0 | 0 | 0 | 0 | 110.8 | I112 E113 Y114 | S110-I112 PolarHBondContact O-N 2.78Å; S110-E113 PolarHBondContact N-OE2 2.82Å; S110-E113 PolarHBondContact O-N 3.27Å; S110-E113 VanDerWaalsContact O-N 3.13Å; S110-E113 VanDerWaalsContact OG-CG 3.29Å; S110-E113 WeakPolarHBondContact OG-CG 3.37Å; S110-E113 PolarHBondContact OG-N 3.38Å; S110-E113 VanDerWaalsContact OG-N 3.13Å; S110-E113 PolarHBondContact OG-OE2 3.36Å; S110-Y114 WeakPolarHBondContact O-CD2 3.02Å; S110-Y114 PolarHBondContact O-N 2.91Å; S110-Y114 VanDerWaalsContact O-N 3.1Å |
| 111 | V | 91.7 | Very high | 87 | Confident | 129 Ų | 129 | 121.3 Ų | 121.3 | 78% | 0.782 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -56.3 | -37.7 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | Y114 M115 | V111-Y114 PolarHBondContact O-N 3.02Å; V111-M115 PolarHBondContact O-N 2.88Å |
| 112 | I | 91.7 | Very high | 87.9 | Confident | 121 Ų | 121 | 118.3 Ų | 118.3 | 62% | 0.621 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.9 | -43.5 | 178.4 | -61.8 | 169 | 0 | 0 | 0 | 110.9 | S110 Y114 M115 M116 | S110-I112 PolarHBondContact O-N 2.78Å; I112-Y114 VanDerWaalsContact C-N 3.33Å; I112-Y114 PolarHBondContact O-N 3.41Å; I112-M115 PolarHBondContact O-N 3.15Å; I112-M116 WeakPolarHBondContact O-CB 3.46Å; I112-M116 PolarHBondContact O-N 3.18Å |
| 113 | E | 89.1 | Confident | 88.7 | Confident | 86 Ų | 86 | 115 Ų | 115 | 40% | 0.402 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.7 | -41.5 | 176.7 | -74.5 | 172.5 | 142.6 | 0 | 0 | 111.8 | P109 S110 M116 L117 | P109-E113 WeakPolarHBondContact CA-OE2 3.47Å; P109-E113 HydrophobicContact CB-CB 4.07Å; P109-E113 WeakPolarHBondContact CB-OE2 3.4Å; S110-E113 PolarHBondContact N-OE2 2.82Å; S110-E113 PolarHBondContact O-N 3.27Å; S110-E113 VanDerWaalsContact O-N 3.13Å; S110-E113 VanDerWaalsContact OG-CG 3.29Å; S110-E113 WeakPolarHBondContact OG-CG 3.37Å; S110-E113 PolarHBondContact OG-N 3.38Å; S110-E113 VanDerWaalsContact OG-N 3.13Å; S110-E113 PolarHBondContact OG-OE2 3.36Å; E113-M116 PolarHBondContact O-N 2.94Å; E113-L117 WeakPolarHBondContact O-CB 3.32Å; E113-L117 WeakPolarHBondContact O-CD1 3.48Å; E113-L117 WeakPolarHBondContact O-CG 3.26Å; E113-L117 PolarHBondContact O-N 3.29Å |
| 114 | Y | 92.7 | Very high | 89.5 | Confident | 122 Ų | 122 | 108.8 Ų | 108.8 | 48% | 0.478 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63 | -44.2 | 174.2 | -86.4 | -70.8 | 0 | 0 | 0 | 112.3 | P109 S110 V111 I112 L117 N118 | P109-Y114 HydrophobicContact CB-CD2 3.73Å; P109-Y114 HydrophobicContact CB-CE2 3.46Å; P109-Y114 VanDerWaalsContact CB-CE2 3.46Å; P109-Y114 HydrophobicContact CG-CD2 4.19Å; P109-Y114 HydrophobicContact CG-CE1 4.39Å; P109-Y114 HydrophobicContact CG-CE2 3.44Å; P109-Y114 VanDerWaalsContact CG-CE2 3.44Å; S110-Y114 WeakPolarHBondContact O-CD2 3.02Å; S110-Y114 PolarHBondContact O-N 2.91Å; S110-Y114 VanDerWaalsContact O-N 3.1Å; V111-Y114 PolarHBondContact O-N 3.02Å; I112-Y114 VanDerWaalsContact C-N 3.33Å; I112-Y114 PolarHBondContact O-N 3.41Å; Y114-L117 PolarHBondContact O-N 3.03Å; Y114-N118 WeakPolarHBondContact O-CB 3.31Å; Y114-N118 PolarHBondContact O-N 2.96Å; Y114-N118 PolarHBondContact O-ND2 3.48Å |
| 115 | M | 93.3 | Very high | 90.2 | Very high | 116 Ų | 116 | 108.1 Ų | 108.1 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.8 | -46.7 | 177.7 | -176.3 | 179.5 | 69.4 | 0 | 0 | 111.5 | V111 I112 N118 M119 | V111-M115 PolarHBondContact O-N 2.88Å; I112-M115 PolarHBondContact O-N 3.15Å; M115-N118 PolarHBondContact O-N 2.77Å; M115-M119 WeakPolarHBondContact O-CG 3.26Å; M115-M119 PolarHBondContact O-N 2Å |
| 116 | M | 94.4 | Very high | 91.1 | Very high | 121 Ų | 121 | 103 Ų | 103 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 177.5 | -177.5 | -176.1 | 61.9 | 0 | 0 | 111.8 | I112 E113 N118 M119 Y120 | I112-M116 WeakPolarHBondContact O-CB 3.46Å; I112-M116 PolarHBondContact O-N 3.18Å; E113-M116 PolarHBondContact O-N 2.94Å; M116-N118 VanDerWaalsContact C-N 3.34Å; M116-N118 PolarHBondContact O-N 2.63Å; M116-M119 PolarHBondContact O-N 3.01Å; M116-Y120 WeakPolarHBondContact O-CB 3.09Å; M116-Y120 PolarHBondContact O-N 2.84Å |
| 117 | L | 93.1 | Very high | 91.7 | Very high | 52 Ų | 52 | 106.4 Ų | 106.4 | 27% | 0.272 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.6 | -75.9 | 168.4 | 0 | 0 | 0 | 111.5 | E113 Y114 Y120 L121 | E113-L117 WeakPolarHBondContact O-CB 3.32Å; E113-L117 WeakPolarHBondContact O-CD1 3.48Å; E113-L117 WeakPolarHBondContact O-CG 3.26Å; E113-L117 PolarHBondContact O-N 3.29Å; Y114-L117 PolarHBondContact O-N 3.03Å; L117-Y120 PolarHBondContact O-N 3.47Å; L117-L121 WeakPolarHBondContact O-CB 3.31Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.46Å; L117-L121 PolarHBondContact O-N 3.24Å |
| 118 | N | 93.8 | Very high | 92.3 | Very high | 97 Ų | 97 | 109.2 Ų | 109.2 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 178.2 | -72.2 | -17.2 | 0 | 0 | 0 | 111.9 | Y114 M115 M116 Y120 L121 S122 | Y114-N118 WeakPolarHBondContact O-CB 3.31Å; Y114-N118 PolarHBondContact O-N 2.96Å; Y114-N118 PolarHBondContact O-ND2 3.48Å; M115-N118 PolarHBondContact O-N 2.77Å; M116-N118 VanDerWaalsContact C-N 3.34Å; M116-N118 PolarHBondContact O-N 2.63Å; N118-Y120 VanDerWaalsContact C-N 3.31Å; N118-Y120 PolarHBondContact O-N 3.03Å; N118-L121 PolarHBondContact O-N 3.26Å; N118-S122 WeakPolarHBondContact O-CB 3.49Å; N118-S122 PolarHBondContact O-N 3.05Å; N118-S122 PolarHBondContact O-OG 3.3Å; N118-S122 VanDerWaalsContact O-OG 3.11Å |
| 119 | M | 92.1 | Very high | 92.8 | Very high | 133 Ų | 133 | 106.6 Ų | 106.6 | 66% | 0.655 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.1 | -41.1 | 174.6 | -77.4 | -74 | -70.6 | 0 | 0 | 112.3 | M115 M116 S122 A123 | M115-M119 WeakPolarHBondContact O-CG 3.26Å; M115-M119 PolarHBondContact O-N 2Å; M116-M119 PolarHBondContact O-N 3.01Å; M119-S122 WeakPolarHBondContact CA-OG 3.4Å; M119-S122 PolarHBondContact O-OG 3.34Å; M119-A123 WeakPolarHBondContact O-CB 3.39Å; M119-A123 PolarHBondContact O-N 2.96Å; M119-A123 VanDerWaalsContact O-N 3.15Å |
| 120 | Y | 95 | Very high | 93.3 | Very high | 141 Ų | 141 | 110.7 Ų | 110.7 | 55% | 0.553 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.9 | -46.5 | 177.3 | 179.1 | -99.9 | 0 | 0 | 0 | 111.9 | M116 L117 N118 A123 Q124 | M116-Y120 WeakPolarHBondContact O-CB 3.09Å; M116-Y120 PolarHBondContact O-N 2.84Å; L117-Y120 PolarHBondContact O-N 3.47Å; N118-Y120 VanDerWaalsContact C-N 3.31Å; N118-Y120 PolarHBondContact O-N 3.03Å; Y120-A123 PolarHBondContact O-N 3.28Å; Y120-Q124 HydrophobicContact CD1-CG 4.48Å; Y120-Q124 HydrophobicContact CE1-CG 4.14Å; Y120-Q124 WeakPolarHBondContact O-CG 2.96Å; Y120-Q124 PolarHBondContact O-N 3.42Å; Y120-Q124 PolarHBondContact OH-NE2 3.49Å |
| 121 | L | 95.2 | Very high | 93.4 | Very high | 87 Ų | 87 | 114.6 Ų | 114.6 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | -179.6 | -70.6 | 172.4 | 0 | 0 | 0 | 111.8 | L117 N118 Q124 L125 | L117-L121 WeakPolarHBondContact O-CB 3.31Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.46Å; L117-L121 PolarHBondContact O-N 3.24Å; N118-L121 PolarHBondContact O-N 3.26Å; L121-Q124 PolarHBondContact O-N 2.98Å; L121-L125 WeakPolarHBondContact O-CB 3Å; L121-L125 VanDerWaalsContact O-CG 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 3.41Å |
| 122 | S | 94.1 | Very high | 93.3 | Very high | 54 Ų | 54 | 113.8 Ų | 113.8 | 38% | 0.378 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.4 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | N118 M119 Q124 L125 D126 | N118-S122 WeakPolarHBondContact O-CB 3.49Å; N118-S122 PolarHBondContact O-N 3.05Å; N118-S122 PolarHBondContact O-OG 3.3Å; N118-S122 VanDerWaalsContact O-OG 3.11Å; M119-S122 WeakPolarHBondContact CA-OG 3.4Å; M119-S122 PolarHBondContact O-OG 3.34Å; S122-Q124 VanDerWaalsContact C-N 3.33Å; S122-Q124 PolarHBondContact O-N 3.42Å; S122-L125 PolarHBondContact O-N 3.38Å; S122-D126 PolarHBondContact O-N 3.22Å |
| 123 | A | 94.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 112.1 Ų | 112.1 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M119 Y120 R127 | M119-A123 WeakPolarHBondContact O-CB 3.39Å; M119-A123 PolarHBondContact O-N 2.96Å; M119-A123 VanDerWaalsContact O-N 3.15Å; Y120-A123 PolarHBondContact O-N 3.28Å; A123-R127 VanDerWaalsContact O-CG 3.3Å; A123-R127 WeakPolarHBondContact O-CG 3.3Å; A123-R127 PolarHBondContact O-N 2.9Å; A123-R127 VanDerWaalsContact O-N 3.07Å |
| 124 | Q | 95.2 | Very high | 93.5 | Very high | 91 Ų | 91 | 115.3 Ų | 115.3 | 43% | 0.425 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 174.6 | -76.6 | -161.9 | -10.2 | 0 | 0 | 112.5 | Y120 L121 S122 D126 R127 R128 | Y120-Q124 HydrophobicContact CD1-CG 4.48Å; Y120-Q124 HydrophobicContact CE1-CG 4.14Å; Y120-Q124 WeakPolarHBondContact O-CG 2.96Å; Y120-Q124 PolarHBondContact O-N 3.42Å; Y120-Q124 PolarHBondContact OH-NE2 3.49Å; L121-Q124 PolarHBondContact O-N 2.98Å; S122-Q124 VanDerWaalsContact C-N 3.33Å; S122-Q124 PolarHBondContact O-N 3.42Å; Q124-D126 VanDerWaalsContact C-N 3.34Å; Q124-R127 PolarHBondContact O-N 3.35Å; Q124-R128 WeakPolarHBondContact O-CB 3.44Å; Q124-R128 PolarHBondContact O-N 3.44Å |
| 125 | L | 94.4 | Very high | 93.4 | Very high | 111 Ų | 111 | 110.9 Ų | 110.9 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 177.7 | -72 | 173.7 | 0 | 0 | 0 | 111.1 | L121 S122 R128 R129 | L121-L125 WeakPolarHBondContact O-CB 3Å; L121-L125 VanDerWaalsContact O-CG 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 3.41Å; S122-L125 PolarHBondContact O-N 3.38Å; L125-R128 PolarHBondContact O-N 3.41Å; L125-R129 VanDerWaalsContact O-CB 3.31Å; L125-R129 WeakPolarHBondContact O-CB 3.32Å; L125-R129 PolarHBondContact O-N 2.85Å |
| 126 | D | 95.5 | Very high | 93.3 | Very high | 86 Ų | 86 | 107.8 Ų | 107.8 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.1 | -77.8 | -21.8 | 0 | 0 | 0 | 112.3 | S122 Q124 R128 R129 K130 | S122-D126 PolarHBondContact O-N 3.22Å; Q124-D126 VanDerWaalsContact C-N 3.34Å; D126-R128 VanDerWaalsContact C-N 3.32Å; D126-R128 PolarHBondContact O-N 3.47Å; D126-R129 PolarHBondContact O-N 3.47Å; D126-K130 WeakPolarHBondContact O-CG 3.35Å; D126-K130 PolarHBondContact O-N 2.91Å |
| 127 | R | 93.4 | Very high | 93.1 | Very high | 194 Ų | 194 | 109.7 Ų | 109.7 | 73% | 0.732 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.4 | -44.3 | 174.5 | -73.2 | 175 | -173.7 | -170.8 | 2.3 | 111.2 | A123 Q124 K130 R131 | A123-R127 VanDerWaalsContact O-CG 3.3Å; A123-R127 WeakPolarHBondContact O-CG 3.3Å; A123-R127 PolarHBondContact O-N 2.9Å; A123-R127 VanDerWaalsContact O-N 3.07Å; Q124-R127 PolarHBondContact O-N 3.35Å; R127-K130 PolarHBondContact O-N 3.32Å; R127-R131 PolarHBondContact O-N 3.35Å |
| 128 | R | 92.8 | Very high | 92.9 | Very high | 168 Ų | 168 | 108.4 Ų | 108.4 | 63% | 0.634 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 177.9 | -174 | 174.9 | 178.7 | -176.2 | -3.8 | 111.6 | Q124 L125 D126 R131 M132 | Q124-R128 WeakPolarHBondContact O-CB 3.44Å; Q124-R128 PolarHBondContact O-N 3.44Å; L125-R128 PolarHBondContact O-N 3.41Å; D126-R128 VanDerWaalsContact C-N 3.32Å; D126-R128 PolarHBondContact O-N 3.47Å; R128-R131 PolarHBondContact O-N 3.03Å; R128-M132 WeakPolarHBondContact O-CB 3.34Å; R128-M132 WeakPolarHBondContact O-CG 3.37Å; R128-M132 PolarHBondContact O-N 2.97Å |
| 129 | R | 94.9 | Very high | 92.6 | Very high | 184 Ų | 184 | 109.4 Ų | 109.4 | 69% | 0.694 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.3 | -48.2 | 176.8 | -175.9 | -180 | 177.8 | -177.9 | 0.8 | 111.1 | L125 D126 R131 M132 E133 | L125-R129 VanDerWaalsContact O-CB 3.31Å; L125-R129 WeakPolarHBondContact O-CB 3.32Å; L125-R129 PolarHBondContact O-N 2.85Å; D126-R129 PolarHBondContact O-N 3.47Å; R129-R131 VanDerWaalsContact C-N 3.3Å; R129-R131 PolarHBondContact O-N 3.07Å; R129-M132 PolarHBondContact O-N 3.48Å; R129-E133 WeakPolarHBondContact O-CB 3.41Å; R129-E133 PolarHBondContact O-N 2.93Å |
| 130 | K | 93.7 | Very high | 92.5 | Very high | 134 Ų | 134 | 105.6 Ų | 105.6 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.3 | -41.9 | 175.8 | -73.3 | 174.9 | -178.6 | 179.3 | 0 | 112 | D126 R127 E133 R134 | D126-K130 WeakPolarHBondContact O-CG 3.35Å; D126-K130 PolarHBondContact O-N 2.91Å; R127-K130 PolarHBondContact O-N 3.32Å; K130-E133 PolarHBondContact O-N 3.43Å; K130-R134 WeakPolarHBondContact O-CG 3.38Å; K130-R134 PolarHBondContact O-N 3.43Å |
| 131 | R | 90.5 | Very high | 92.1 | Very high | 138 Ų | 138 | 103.8 Ų | 103.8 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 175.6 | -173.2 | -179.5 | 179.7 | -167.8 | -0.3 | 111.8 | R127 R128 R129 E133 R134 I135 | R127-R131 PolarHBondContact O-N 3.35Å; R128-R131 PolarHBondContact O-N 3.03Å; R129-R131 VanDerWaalsContact C-N 3.3Å; R129-R131 PolarHBondContact O-N 3.07Å; R131-E133 VanDerWaalsContact C-N 3.28Å; R131-E133 PolarHBondContact O-N 2.84Å; R131-R134 PolarHBondContact O-N 2.7Å; R131-I135 HydrophobicContact CG-CD1 3.95Å; R131-I135 VanDerWaalsContact O-CG1 3.31Å; R131-I135 WeakPolarHBondContact O-CG1 3.31Å; R131-I135 PolarHBondContact O-N 3.38Å |
| 132 | M | 90.8 | Very high | 91.8 | Very high | 113 Ų | 113 | 100.2 Ų | 100.2 | 56% | 0.557 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.9 | -40.3 | 176.2 | -74.8 | -67.1 | -54 | 0 | 0 | 111.9 | R128 R129 I135 A136 | R128-M132 WeakPolarHBondContact O-CB 3.34Å; R128-M132 WeakPolarHBondContact O-CG 3.37Å; R128-M132 PolarHBondContact O-N 2.97Å; R129-M132 PolarHBondContact O-N 3.48Å; M132-I135 PolarHBondContact O-N 3.4Å; M132-A136 VanDerWaalsContact O-CB 3.31Å; M132-A136 WeakPolarHBondContact O-CB 3.46Å; M132-A136 PolarHBondContact O-N 3.25Å |
| 133 | E | 93.9 | Very high | 91.3 | Very high | 86 Ų | 86 | 100.4 Ų | 100.4 | 40% | 0.402 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 177.8 | -171.4 | -178.5 | 173.6 | 0 | 0 | 112 | R129 K130 R131 A136 R137 | R129-E133 WeakPolarHBondContact O-CB 3.41Å; R129-E133 PolarHBondContact O-N 2.93Å; K130-E133 PolarHBondContact O-N 3.43Å; R131-E133 VanDerWaalsContact C-N 3.28Å; R131-E133 PolarHBondContact O-N 2.84Å; E133-A136 PolarHBondContact O-N 3.38Å; E133-R137 WeakPolarHBondContact O-CB 3.36Å; E133-R137 VanDerWaalsContact O-CG 3.29Å; E133-R137 WeakPolarHBondContact O-CG 3.29Å; E133-R137 PolarHBondContact O-N 2.7Å; E133-R137 IonicContact OE1-CZ 3.5Å; E133-R137 IonicContact OE1-NE 3.55Å; E133-R137 IonicContact OE1-NH2 2.7Å; E133-R137 PolarHBondContact OE1-NH2 2.05Å |
| 134 | R | 90.3 | Very high | 90.9 | Very high | 153 Ų | 153 | 104.3 Ų | 104.3 | 58% | 0.577 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 173.7 | -71.9 | 179.3 | -172.7 | -175.4 | -1.9 | 112.2 | K130 R131 R137 C138 A158 | K130-R134 WeakPolarHBondContact O-CG 3.38Å; K130-R134 PolarHBondContact O-N 3.43Å; R131-R134 PolarHBondContact O-N 2.7Å; R134-R137 PolarHBondContact O-N 3.13Å; R134-C138 WeakPolarHBondContact O-CB 3.49Å; R134-C138 PolarHBondContact O-N 3.11Å; R134-A158 HydrophobicContact CB-CB 4.37Å; R134-A158 WeakPolarHBondContact CD-O 3.29Å; R134-A158 PolarHBondContact NH1-O 3.11Å |
| 135 | I | 90.7 | Very high | 90.3 | Very high | 29 Ų | 29 | 102.9 Ų | 102.9 | 15% | 0.149 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 176.5 | -66.8 | 166.9 | 0 | 0 | 0 | 109.6 | R131 M132 R137 C138 E139 | R131-I135 HydrophobicContact CG-CD1 3.95Å; R131-I135 VanDerWaalsContact O-CG1 3.31Å; R131-I135 WeakPolarHBondContact O-CG1 3.31Å; R131-I135 PolarHBondContact O-N 3.38Å; M132-I135 PolarHBondContact O-N 3.4Å; I135-R137 VanDerWaalsContact C-N 3.35Å; I135-R137 PolarHBondContact O-N 2.82Å; I135-C138 WeakPolarHBondContact O-CB 3.43Å; I135-C138 PolarHBondContact O-N 3.39Å; I135-C138 VanDerWaalsContact O-N 3.13Å; I135-E139 HydrophobicContact CG2-CG 4.26Å; I135-E139 WeakPolarHBondContact CG2-OE1 3.05Å; I135-E139 WeakPolarHBondContact O-CG 3.37Å; I135-E139 PolarHBondContact O-N 2.97Å |
| 136 | A | 90.2 | Very high | 89.6 | Confident | 50 Ų | 50 | 100.6 Ų | 100.6 | 41% | 0.413 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M132 E133 E139 A140 | M132-A136 VanDerWaalsContact O-CB 3.31Å; M132-A136 WeakPolarHBondContact O-CB 3.46Å; M132-A136 PolarHBondContact O-N 3.25Å; E133-A136 PolarHBondContact O-N 3.38Å; A136-E139 PolarHBondContact O-N 2.92Å; A136-A140 WeakPolarHBondContact O-CB 3.31Å; A136-A140 PolarHBondContact O-N 3.02Å |
| 137 | R | 91.1 | Very high | 88.8 | Confident | 162 Ų | 162 | 103.7 Ų | 103.7 | 61% | 0.611 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 173.6 | -73.1 | 178.1 | -168.3 | -157.2 | 2.8 | 111.9 | E133 R134 I135 A140 L141 | E133-R137 WeakPolarHBondContact O-CB 3.36Å; E133-R137 VanDerWaalsContact O-CG 3.29Å; E133-R137 WeakPolarHBondContact O-CG 3.29Å; E133-R137 PolarHBondContact O-N 2.7Å; E133-R137 IonicContact OE1-CZ 3.5Å; E133-R137 IonicContact OE1-NE 3.55Å; E133-R137 IonicContact OE1-NH2 2.7Å; E133-R137 PolarHBondContact OE1-NH2 2.05Å; R134-R137 PolarHBondContact O-N 3.13Å; I135-R137 VanDerWaalsContact C-N 3.35Å; I135-R137 PolarHBondContact O-N 2.82Å; R137-A140 PolarHBondContact O-N 3.4Å; R137-L141 WeakPolarHBondContact O-CG 3.02Å; R137-L141 PolarHBondContact O-N 3.3Å |
| 138 | C | 88.1 | Confident | 88.3 | Confident | 25 Ų | 25 | 104.3 Ų | 104.3 | 17% | 0.169 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | R134 I135 A140 L141 C142 C155 | R134-C138 WeakPolarHBondContact O-CB 3.49Å; R134-C138 PolarHBondContact O-N 3.11Å; I135-C138 WeakPolarHBondContact O-CB 3.43Å; I135-C138 PolarHBondContact O-N 3.39Å; I135-C138 VanDerWaalsContact O-N 3.13Å; C138-A140 VanDerWaalsContact C-N 3.33Å; C138-A140 PolarHBondContact O-N 3.11Å; C138-L141 PolarHBondContact O-N 3.24Å; C138-C142 WeakPolarHBondContact O-CB 3.38Å; C138-C142 PolarHBondContact O-N 3.17Å; C138-C142 PolarHBondContact O-SG 3.14Å; C138-C155 HydrophobicContact CB-CB 3.65Å; C138-C155 WeakPolarHBondContact CB-SG 3.41Å; C138-C155 WeakPolarHBondContact SG-CA 3.08Å; C138-C155 WeakPolarHBondContact SG-CB 3.45Å; C138-C155 CovalentContact SG-SG 2.05Å; C138-C155 PolarHBondContact SG-SG 3.37Å |
| 139 | E | 88.9 | Confident | 87.5 | Confident | 117 Ų | 117 | 104 Ų | 104 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 176 | -73.5 | 173.2 | 174.6 | 0 | 0 | 111.9 | I135 A136 C142 A143 | I135-E139 HydrophobicContact CG2-CG 4.26Å; I135-E139 WeakPolarHBondContact CG2-OE1 3.05Å; I135-E139 WeakPolarHBondContact O-CG 3.37Å; I135-E139 PolarHBondContact O-N 2.97Å; A136-E139 PolarHBondContact O-N 2.92Å; E139-C142 PolarHBondContact O-N 2.89Å; E139-A143 PolarHBondContact O-N 3.37Å |
| 140 | A | 89.4 | Confident | 86.7 | Confident | 54 Ų | 54 | 97.7 Ų | 97.7 | 45% | 0.446 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A136 R137 C138 C142 A143 E144 | A136-A140 WeakPolarHBondContact O-CB 3.31Å; A136-A140 PolarHBondContact O-N 3.02Å; R137-A140 PolarHBondContact O-N 3.4Å; C138-A140 VanDerWaalsContact C-N 3.33Å; C138-A140 PolarHBondContact O-N 3.11Å; A140-C142 VanDerWaalsContact C-N 3.26Å; A140-C142 PolarHBondContact O-N 3.32Å; A140-A143 WeakPolarHBondContact O-CB 3.46Å; A140-A143 PolarHBondContact O-N 3.34Å; A140-E144 PolarHBondContact O-N 3.43Å; A140-E144 VanDerWaalsContact O-N 3.11Å |
| 141 | L | 87.4 | Confident | 86.2 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -36.3 | 175.1 | -70.2 | 173.1 | 0 | 0 | 0 | 111.9 | R137 C138 E144 M145 | R137-L141 WeakPolarHBondContact O-CG 3.02Å; R137-L141 PolarHBondContact O-N 3.3Å; C138-L141 PolarHBondContact O-N 3.24Å; L141-E144 PolarHBondContact O-N 3.43Å; L141-M145 WeakPolarHBondContact O-CG 3.09Å; L141-M145 PolarHBondContact O-N 3.45Å |
| 142 | C | 87.1 | Confident | 85.6 | Confident | 11 Ų | 11 | 97 Ų | 97 | 7% | 0.074 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69 | -35.2 | 175.3 | -80.6 | 0 | 0 | 0 | 0 | 113.2 | C138 E139 A140 E144 M145 A146 C152 | C138-C142 WeakPolarHBondContact O-CB 3.38Å; C138-C142 PolarHBondContact O-N 3.17Å; C138-C142 PolarHBondContact O-SG 3.14Å; E139-C142 PolarHBondContact O-N 2.89Å; A140-C142 VanDerWaalsContact C-N 3.26Å; A140-C142 PolarHBondContact O-N 3.32Å; C142-E144 VanDerWaalsContact C-N 3.3Å; C142-M145 PolarHBondContact O-N 2.82Å; C142-A146 VanDerWaalsContact O-CB 3.3Å; C142-A146 WeakPolarHBondContact O-CB 3.41Å; C142-A146 PolarHBondContact O-N 3.31Å; C142-C152 HydrophobicContact CB-CB 3.67Å; C142-C152 WeakPolarHBondContact CB-SG 2.92Å; C142-C152 WeakPolarHBondContact SG-CB 3.3Å; C142-C152 CovalentContact SG-SG 2.01Å; C142-C152 PolarHBondContact SG-SG 2.94Å |
| 143 | A | 85.3 | Confident | 84.9 | Confident | 59 Ų | 59 | 95 Ų | 95 | 49% | 0.488 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -39 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E139 A140 L147 | E139-A143 PolarHBondContact O-N 3.37Å; A140-A143 WeakPolarHBondContact O-CB 3.46Å; A140-A143 PolarHBondContact O-N 3.34Å; A143-L147 PolarHBondContact O-N 2.86Å |
| 144 | E | 86.2 | Confident | 84.1 | Confident | 123 Ų | 123 | 95.6 Ų | 95.6 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.5 | -37.1 | 174 | -67.4 | 179.9 | -178.8 | 0 | 0 | 113 | A140 L141 C142 | A140-E144 PolarHBondContact O-N 3.43Å; A140-E144 VanDerWaalsContact O-N 3.11Å; L141-E144 PolarHBondContact O-N 3.43Å; C142-E144 VanDerWaalsContact C-N 3.3Å |
| 145 | M | 81.2 | Confident | 83.6 | Confident | 60 Ų | 60 | 89.1 Ų | 89.1 | 30% | 0.296 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74.5 | -34.2 | 176.6 | -78.8 | -168.2 | -55.7 | 0 | 0 | 113.2 | L141 C142 L147 R148 D149 S150 P153 | L141-M145 WeakPolarHBondContact O-CG 3.09Å; L141-M145 PolarHBondContact O-N 3.45Å; C142-M145 PolarHBondContact O-N 2.82Å; M145-L147 VanDerWaalsContact C-N 3.25Å; M145-L147 PolarHBondContact O-N 3.06Å; M145-R148 CarbonylContact O-C 3.46Å; M145-R148 WeakPolarHBondContact O-CA 3.48Å; M145-R148 PolarHBondContact O-N 3.37Å; M145-D149 PolarHBondContact O-N 3.29Å; M145-S150 VanDerWaalsContact CB-OG 3.29Å; M145-S150 WeakPolarHBondContact CB-OG 3.37Å; M145-S150 PolarHBondContact O-N 3.27Å; M145-S150 PolarHBondContact O-OG 2.95Å; M145-P153 HydrophobicContact CE-CG 4.49Å |
| 146 | A | 80.4 | Confident | 82.7 | Confident | 64 Ų | 64 | 92.9 Ų | 92.9 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -32 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C142 R148 D149 | C142-A146 VanDerWaalsContact O-CB 3.3Å; C142-A146 WeakPolarHBondContact O-CB 3.41Å; C142-A146 PolarHBondContact O-N 3.31Å; A146-R148 PolarHBondContact O-N 3.36Å; A146-D149 PolarHBondContact O-N 2.99Å |
| 147 | L | 78.7 | Confident | 81.5 | Confident | 151 Ų | 151 | 99.8 Ų | 99.8 | 79% | 0.791 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.4 | 170.1 | -77.7 | 159.5 | 0 | 0 | 0 | 113.3 | A143 M145 | A143-L147 PolarHBondContact O-N 2.86Å; M145-L147 VanDerWaalsContact C-N 3.25Å; M145-L147 PolarHBondContact O-N 3.06Å |
| 148 | R | 82.3 | Confident | 79.7 | Confident | 206 Ų | 206 | 94.6 Ų | 94.6 | 78% | 0.777 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 14.6 | -179.3 | -61.4 | -176.3 | 178.7 | -162.9 | 0.5 | 113.1 | M145 A146 S150 | M145-R148 CarbonylContact O-C 3.46Å; M145-R148 WeakPolarHBondContact O-CA 3.48Å; M145-R148 PolarHBondContact O-N 3.37Å; A146-R148 PolarHBondContact O-N 3.36Å; R148-S150 PolarHBondContact O-N 2.01Å; R148-S150 VanDerWaalsContact O-N 3.11Å |
| 149 | D | 77.2 | Confident | 79.3 | Confident | 162 Ų | 162 | 98.1 Ų | 98.1 | 87% | 0.866 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 24 | -178.6 | -60.7 | -43.4 | 0 | 0 | 0 | 114.8 | M145 A146 | M145-D149 PolarHBondContact O-N 3.29Å; A146-D149 PolarHBondContact O-N 2.99Å |
| 150 | S | 78.1 | Confident | 78.8 | Confident | 51 Ų | 51 | 97.1 Ų | 97.1 | 36% | 0.357 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -99 | 142.2 | 178 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | M145 R148 C152 | M145-S150 VanDerWaalsContact CB-OG 3.29Å; M145-S150 WeakPolarHBondContact CB-OG 3.37Å; M145-S150 PolarHBondContact O-N 3.27Å; M145-S150 PolarHBondContact O-OG 2.95Å; R148-S150 PolarHBondContact O-N 2.01Å; R148-S150 VanDerWaalsContact O-N 3.11Å; S150-C152 PolarHBondContact O-N 3.46Å |
| 151 | E | 81.4 | Confident | 78.2 | Confident | 191 Ų | 191 | 99.4 Ų | 99.4 | 89% | 0.893 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 128.7 | 179.3 | -67.6 | -176.8 | 168.7 | 0 | 0 | 112.4 | ||
| 152 | C | 78 | Confident | 77.6 | Confident | 66 Ų | 66 | 99.2 Ų | 99.2 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 130.1 | 176.9 | 161.5 | 0 | 0 | 0 | 0 | 111.4 | C142 S150 | C142-C152 HydrophobicContact CB-CB 3.67Å; C142-C152 WeakPolarHBondContact CB-SG 2.92Å; C142-C152 WeakPolarHBondContact SG-CB 3.3Å; C142-C152 CovalentContact SG-SG 2.01Å; C142-C152 PolarHBondContact SG-SG 2.94Å; S150-C152 PolarHBondContact O-N 3.46Å |
| 153 | P | 77.5 | Confident | 77 | Confident | 71 Ų | 71 | 104.8 Ų | 104.8 | 46% | 0.461 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -71 | 156 | 174.1 | 29.9 | -34 | 0 | 0 | 0 | 112.3 | M145 C155 | M145-P153 HydrophobicContact CE-CG 4.49Å; P153-C155 PolarHBondContact O-N 3.43Å; P153-C155 VanDerWaalsContact O-N 3.11Å |
| 154 | P | 77.6 | Confident | 76.5 | Confident | 100 Ų | 100 | 107.8 Ų | 107.8 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | trans | -69.2 | 109.8 | -176.5 | 27 | -34.6 | 0 | 0 | 0 | 112.8 | V156 | P154-V156 PolarHBondContact O-N 2.96Å; P154-V156 VanDerWaalsContact O-N 3.14Å | ||
| 155 | C | 79.8 | Confident | 75.8 | Confident | 16 Ų | 16 | 106.7 Ų | 106.7 | 11% | 0.108 | 58% | 0.579 | C | S | . | * | G | 310 helix | trans | -67.3 | -10.8 | -179.6 | -63.2 | 0 | 0 | 0 | 0 | 115.5 | C138 P153 K157 A158 | C138-C155 HydrophobicContact CB-CB 3.65Å; C138-C155 WeakPolarHBondContact CB-SG 3.41Å; C138-C155 WeakPolarHBondContact SG-CA 3.08Å; C138-C155 WeakPolarHBondContact SG-CB 3.45Å; C138-C155 CovalentContact SG-SG 2.05Å; C138-C155 PolarHBondContact SG-SG 3.37Å; P153-C155 PolarHBondContact O-N 3.43Å; P153-C155 VanDerWaalsContact O-N 3.11Å; C155-K157 PolarHBondContact O-N 3.23Å; C155-A158 PolarHBondContact O-N 2.9Å |
| 156 | V | 71.8 | Confident | 75.4 | Confident | 108 Ų | 108 | 110.3 Ų | 110.3 | 66% | 0.655 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -66.7 | -22.6 | -176 | -177.1 | 0 | 0 | 0 | 0 | 113.1 | P154 | P154-V156 PolarHBondContact O-N 2.96Å; P154-V156 VanDerWaalsContact O-N 3.14Å |
| 157 | K | 64.7 | Low | 75 | Confident | 195 Ų | 195 | 114.2 Ų | 114.2 | 85% | 0.848 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -92.7 | -2 | -177.2 | -72.2 | -174.7 | 177.9 | 179 | 0 | 114.9 | C155 | C155-K157 PolarHBondContact O-N 3.23Š|
| 158 | A | 52.7 | Low | 74.6 | Confident | 53 Ų | 53 | 110.8 Ų | 110.8 | 44% | 0.438 | 59% | 0.591 | S | S | . | * | trans | -84.6 | 0 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R134 C155 | R134-A158 HydrophobicContact CB-CB 4.37Å; R134-A158 WeakPolarHBondContact CD-O 3.29Å; R134-A158 PolarHBondContact NH1-O 3.11Å; C155-A158 PolarHBondContact O-N 2.9Å |
Retrieved 158 of 158 residues in 24.6 ms
(Link to these results)