| 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 | 38.1 | Very low | 47.3 | Very low | 237 Ų | 237 | 155.7 Ų | 155.7 | 100% | 1.167 | 80% | 0.802 | S | S | * | * | 0 | 93.9 | 0 | -84.4 | -151 | 171.6 | 0 | 0 | 106.6 | K3 | M1-K3 PolarHBondContact O-N 3.28Š| |||
| 2 | D | 43.1 | Very low | 47.9 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -80.5 | 112.1 | -176.6 | -56.8 | -51 | 0 | 0 | 0 | 108.4 | A4 | D2-A4 PolarHBondContact O-N 3.39Š| ||
| 3 | K | 50 | Low | 48.5 | Very low | 201 Ų | 201 | 151 Ų | 151 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -75.5 | 109 | 173.4 | -80.4 | 179.3 | 174.6 | 176.7 | 0 | 107.3 | M1 E5 | M1-K3 PolarHBondContact O-N 3.28Å; K3-E5 PolarHBondContact O-N 3.48Å | ||
| 4 | A | 50.8 | Low | 48.9 | Very low | 99 Ų | 99 | 148.8 Ų | 148.8 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -53.2 | 129.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | D2 Q6 | D2-A4 PolarHBondContact O-N 3.39Å; A4-Q6 PolarHBondContact O-N 2.93Å | ||
| 5 | E | 50.9 | Low | 49.7 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -65.9 | 116.6 | 179.2 | -65.3 | 172.6 | 164.8 | 0 | 0 | 109.3 | K3 F7 | K3-E5 PolarHBondContact O-N 3.48Å; E5-F7 HydrophobicContact CB-CD2 4.07Å; E5-F7 HydrophobicContact CB-CE2 3.49Å; E5-F7 VanDerWaalsContact CB-CE2 3.49Å; E5-F7 HydrophobicContact CB-CZ 3.99Å; E5-F7 HydrophobicContact CG-CE2 4.48Å; E5-F7 PolarHBondContact O-N 2.72Å; E5-F7 WeakPolarHBondContact OE2-CE2 3.2Å; E5-F7 WeakPolarHBondContact OE2-CZ 3.4Å | ||
| 6 | Q | 44.7 | Very low | 50.3 | Low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | trans | -83.2 | 92.6 | 174.1 | -174.4 | 169.2 | 7.5 | 0 | 0 | 108.7 | A4 V8 | A4-Q6 PolarHBondContact O-N 2.93Å; Q6-V8 PolarHBondContact O-N 3.29Å | ||
| 7 | F | 42.8 | Very low | 51.2 | Low | 159 Ų | 159 | 138.9 Ų | 138.9 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | trans | -75.7 | 115.3 | 168 | -65 | -84.1 | 0 | 0 | 0 | 108.8 | E5 N9 | E5-F7 HydrophobicContact CB-CD2 4.07Å; E5-F7 HydrophobicContact CB-CE2 3.49Å; E5-F7 VanDerWaalsContact CB-CE2 3.49Å; E5-F7 HydrophobicContact CB-CZ 3.99Å; E5-F7 HydrophobicContact CG-CE2 4.48Å; E5-F7 PolarHBondContact O-N 2.72Å; E5-F7 WeakPolarHBondContact OE2-CE2 3.2Å; E5-F7 WeakPolarHBondContact OE2-CZ 3.4Å; F7-N9 PolarHBondContact O-N 3.25Å | ||
| 8 | V | 47.9 | Very low | 52 | Low | 114 Ų | 114 | 132.2 Ų | 132.2 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | trans | -83.3 | 106.2 | 167.6 | -178 | 0 | 0 | 0 | 0 | 106.5 | Q6 I10 | Q6-V8 PolarHBondContact O-N 3.29Å; V8-I10 PolarHBondContact O-N 3.09Å | ||
| 9 | N | 50.9 | Low | 52.8 | Low | 158 Ų | 158 | 128.2 Ų | 128.2 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | -66.6 | 117.6 | 167.4 | -86.6 | -24.4 | 0 | 0 | 0 | 107.8 | F7 | F7-N9 PolarHBondContact O-N 3.25Š| ||
| 10 | I | 49.4 | Very low | 53.4 | Low | 141 Ų | 141 | 127.7 Ų | 127.7 | 72% | 0.723 | 68% | 0.684 | S | S | * | * | trans | -85.5 | 113.6 | 171.9 | -57.6 | 172.8 | 0 | 0 | 0 | 105.8 | V8 L12 | V8-I10 PolarHBondContact O-N 3.09Å; I10-L12 PolarHBondContact O-N 3.43Å | ||
| 11 | D | 51.4 | Low | 54 | Low | 106 Ų | 106 | 123.6 Ų | 123.6 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | trans | -73 | 119.1 | 174.4 | -163.7 | -10.7 | 0 | 0 | 0 | 108.7 | N13 | D11-N13 VanDerWaalsContact C-N 3.3Å; D11-N13 WeakPolarHBondContact OD1-CB 3.47Å; D11-N13 PolarHBondContact OD1-N 3.18Å | ||
| 12 | L | 54.3 | Low | 55.5 | Low | 124 Ų | 124 | 119.3 Ų | 119.3 | 65% | 0.649 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -87.9 | 1.4 | -178.1 | -65.3 | 171.2 | 0 | 0 | 0 | 112.1 | I10 D14 | I10-L12 PolarHBondContact O-N 3.43Å; L12-D14 VanDerWaalsContact C-N 3.29Å; L12-D14 PolarHBondContact O-N 2.97Å |
| 13 | N | 55.9 | Low | 56.5 | Low | 126 Ų | 126 | 115.5 Ų | 115.5 | 67% | 0.674 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -73.2 | -16.6 | -179.3 | -81.1 | -12.2 | 0 | 0 | 0 | 114.2 | D11 | D11-N13 VanDerWaalsContact C-N 3.3Å; D11-N13 WeakPolarHBondContact OD1-CB 3.47Å; D11-N13 PolarHBondContact OD1-N 3.18Å |
| 14 | D | 54.5 | Low | 57.3 | Low | 120 Ų | 120 | 113.2 Ų | 113.2 | 64% | 0.642 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -90.2 | -1.8 | -176.8 | -70.9 | -17 | 0 | 0 | 0 | 114 | L12 N16 I17 | L12-D14 VanDerWaalsContact C-N 3.29Å; L12-D14 PolarHBondContact O-N 2.97Å; D14-N16 PolarHBondContact O-N 2.96Å; D14-N16 VanDerWaalsContact O-N 3.16Å; D14-I17 PolarHBondContact O-N 3.25Å |
| 15 | D | 60.8 | Low | 57.7 | Low | 120 Ų | 120 | 109.2 Ų | 109.2 | 64% | 0.642 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -6 | -175 | -78.9 | -18.8 | 0 | 0 | 0 | 114 | I17 | D15-I17 VanDerWaalsContact C-N 3.33Š|
| 16 | N | 59.8 | Low | 57.9 | Low | 66 Ų | 66 | 108.6 Ų | 108.6 | 35% | 0.353 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -5.6 | 177 | -57.1 | -47 | 0 | 0 | 0 | 113.1 | D14 E24 T25 | D14-N16 PolarHBondContact O-N 2.96Å; D14-N16 VanDerWaalsContact O-N 3.16Å; N16-E24 CarbonylContact O-C 3.55Å; N16-E24 VanDerWaalsContact O-CA 3.3Å; N16-E24 WeakPolarHBondContact O-CA 3.27Å; N16-T25 PolarHBondContact O-N 2.91Å; N16-T25 PolarHBondContact O-OG1 3.48Å; N16-T25 VanDerWaalsContact O-OG1 3.04Å |
| 17 | I | 65.1 | Low | 58.2 | Low | 93 Ų | 93 | 104.7 Ų | 104.7 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | B | Isolated β-bridge | trans | -108.9 | 119.8 | 179.9 | -56.6 | 175.8 | 0 | 0 | 0 | 109.5 | D14 D15 G19 | D14-I17 PolarHBondContact O-N 3.25Å; D15-I17 VanDerWaalsContact C-N 3.33Å; I17-G19 PolarHBondContact O-N 3.41Å; I17-G19 VanDerWaalsContact O-N 3.15Å |
| 18 | C | 65.9 | Low | 58.8 | Low | 17 Ų | 17 | 100.6 Ų | 100.6 | 12% | 0.115 | 57% | 0.569 | C | S | . | * | trans | -62.2 | 121.6 | 177.7 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | V20 C21 K22 L23 C33 | C18-V20 PolarHBondContact O-N 3.2Å; C18-V20 PolarHBondContact SG-N 2.98Å; C18-V20 VanDerWaalsContact SG-N 3.44Å; C18-C21 WeakPolarHBondContact CB-SG 3.46Å; C18-K22 WeakPolarHBondContact O-CA 3.44Å; C18-K22 PolarHBondContact O-N 3.41Å; C18-L23 PolarHBondContact N-O 3.42Å; C18-C33 HydrophobicContact CB-CB 3.81Å; C18-C33 VanDerWaalsContact SG-CB 3.51Å | ||
| 19 | G | 66.5 | Low | 58.8 | Low | 56 Ų | 56 | 101 Ų | 101 | 58% | 0.577 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -23.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I17 K22 | I17-G19 PolarHBondContact O-N 3.41Å; I17-G19 VanDerWaalsContact O-N 3.15Å; G19-K22 WeakPolarHBondContact O-CE 3.42Å; G19-K22 PolarHBondContact O-NZ 3.19Å |
| 20 | V | 64.8 | Low | 58.9 | Low | 119 Ų | 119 | 98.9 Ų | 98.9 | 72% | 0.721 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -63.7 | -176.9 | -177.9 | 0 | 0 | 0 | 0 | 112 | C18 | C18-V20 PolarHBondContact O-N 3.2Å; C18-V20 PolarHBondContact SG-N 2.98Å; C18-V20 VanDerWaalsContact SG-N 3.44Å |
| 21 | C | 65.5 | Low | 59.2 | Low | 42 Ų | 42 | 98.1 Ų | 98.1 | 28% | 0.284 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.4 | -5.9 | -175.6 | 64.2 | 0 | 0 | 0 | 0 | 114 | C18 L23 C36 | C18-C21 WeakPolarHBondContact CB-SG 3.46Å; C21-L23 HydrophobicContact CB-CD1 4.36Å; C21-L23 HydrophobicContact CB-CG 4.25Å; C21-L23 PolarHBondContact O-N 3.12Å; C21-C36 VanDerWaalsContact CB-SG 3.59Å |
| 22 | K | 70.6 | Confident | 59.5 | Low | 147 Ų | 147 | 97.7 Ų | 97.7 | 64% | 0.639 | 56% | 0.559 | S | S | * | * | trans | 57.1 | 17.7 | -177.9 | -52.7 | -57.2 | -173.2 | -167.2 | 0 | 114.2 | C18 G19 | C18-K22 WeakPolarHBondContact O-CA 3.44Å; C18-K22 PolarHBondContact O-N 3.41Å; G19-K22 WeakPolarHBondContact O-CE 3.42Å; G19-K22 PolarHBondContact O-NZ 3.19Å | ||
| 23 | L | 64.8 | Low | 59.8 | Low | 86 Ų | 86 | 92.5 Ų | 92.5 | 45% | 0.45 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 141.3 | 173.4 | -60.9 | 176.3 | 0 | 0 | 0 | 109.7 | C18 C21 T25 V35 | C18-L23 PolarHBondContact N-O 3.42Å; C21-L23 HydrophobicContact CB-CD1 4.36Å; C21-L23 HydrophobicContact CB-CG 4.25Å; C21-L23 PolarHBondContact O-N 3.12Å; L23-T25 PolarHBondContact O-N 3.44Å; L23-V35 HydrophobicContact CD1-CB 4.29Å; L23-V35 HydrophobicContact CD1-CG1 4.03Å; L23-V35 HydrophobicContact CD1-CG2 4.03Å |
| 24 | E | 66.1 | Low | 59.9 | Low | 154 Ų | 154 | 91.7 Ų | 91.7 | 72% | 0.72 | 52% | 0.524 | S | S | * | . | B | Isolated β-bridge | trans | -73.3 | 121 | 173 | -160.7 | 169.7 | -170.7 | 0 | 0 | 108.6 | N16 | N16-E24 CarbonylContact O-C 3.55Å; N16-E24 VanDerWaalsContact O-CA 3.3Å; N16-E24 WeakPolarHBondContact O-CA 3.27Å |
| 25 | T | 58.9 | Low | 60.2 | Low | 14 Ų | 14 | 89 Ų | 89 | 9% | 0.086 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 117 | 177.7 | 47.6 | 0 | 0 | 0 | 0 | 108.7 | N16 L23 C33 | N16-T25 PolarHBondContact O-N 2.91Å; N16-T25 PolarHBondContact O-OG1 3.48Å; N16-T25 VanDerWaalsContact O-OG1 3.04Å; L23-T25 PolarHBondContact O-N 3.44Å; T25-C33 HydrophobicContact CG2-CB 3.86Å |
| 26 | D | 54.7 | Low | 60.1 | Low | 138 Ų | 138 | 86.6 Ų | 86.6 | 74% | 0.738 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -70 | 133.4 | -175.2 | -144.9 | -8.6 | 0 | 0 | 0 | 111.3 | ||
| 27 | T | 52.1 | Low | 59.8 | Low | 99 Ų | 99 | 88.2 Ų | 88.2 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | S | Bend | trans | 67.7 | 91 | 172.9 | 59.3 | 0 | 0 | 0 | 0 | 119 | T29 | T27-T29 PolarHBondContact O-N 3.33Å; T27-T29 PolarHBondContact O-OG1 2.92Å |
| 28 | G | 55.1 | Low | 59.1 | Low | 72 Ų | 72 | 90.2 Ų | 90.2 | 74% | 0.742 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | 55 | -9.8 | 116.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||
| 29 | T | 48.2 | Very low | 58.3 | Low | 123 Ų | 123 | 94.9 Ų | 94.9 | 76% | 0.755 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.3 | -8.1 | -176.5 | 43.9 | 0 | 0 | 0 | 0 | 113.8 | T27 | T27-T29 PolarHBondContact O-N 3.33Å; T27-T29 PolarHBondContact O-OG1 2.92Å |
| 30 | M | 51.4 | Low | 57.1 | Low | 113 Ų | 113 | 97.1 Ų | 97.1 | 56% | 0.557 | 55% | 0.545 | S | S | * | . | trans | -99.2 | 107.6 | -177.3 | -65 | -61 | -159.5 | 0 | 0 | 110.7 | F32 | M30-F32 HydrophobicContact CE-CZ 4.49Å; M30-F32 PolarHBondContact O-N 2.98Å; M30-F32 HydrophobicContact SD-CE1 3.81Å; M30-F32 HydrophobicContact SD-CZ 3.82Å | ||
| 31 | S | 55.8 | Low | 56.3 | Low | 126 Ų | 126 | 96.4 Ų | 96.4 | 88% | 0.881 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -71 | 11.4 | 173 | 50.8 | 0 | 0 | 0 | 0 | 114 | ||
| 32 | F | 59.1 | Low | 55.2 | Low | 97 Ų | 97 | 104 Ų | 104 | 43% | 0.425 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -146.7 | 148 | -177.8 | 62.2 | -87.4 | 0 | 0 | 0 | 112.2 | M30 F37 | M30-F32 HydrophobicContact CE-CZ 4.49Å; M30-F32 PolarHBondContact O-N 2.98Å; M30-F32 HydrophobicContact SD-CE1 3.81Å; M30-F32 HydrophobicContact SD-CZ 3.82Å; F32-F37 HydrophobicContact CD2-CB 4.31Å; F32-F37 HydrophobicContact CD2-CD1 4.29Å; F32-F37 HydrophobicContact CD2-CG 4.19Å; F32-F37 HydrophobicContact CE2-CD1 4.49Å |
| 33 | C | 60.4 | Low | 54.1 | Low | 14 Ų | 14 | 100.9 Ų | 100.9 | 10% | 0.095 | 58% | 0.577 | C | S | . | * | trans | -85.6 | 115.8 | -179.4 | 175 | 0 | 0 | 0 | 0 | 111.7 | C18 T25 V35 C36 F37 | C18-C33 HydrophobicContact CB-CB 3.81Å; C18-C33 VanDerWaalsContact SG-CB 3.51Å; T25-C33 HydrophobicContact CG2-CB 3.86Å; C33-V35 VanDerWaalsContact C-N 3.29Å; C33-V35 PolarHBondContact O-N 3.2Å; C33-C36 HydrophobicContact CB-CB 4.22Å; C33-C36 PolarHBondContact O-N 3.35Å; C33-F37 WeakPolarHBondContact O-CB 3.33Å; C33-F37 PolarHBondContact O-N 3.06Å | ||
| 34 | H | 58.5 | Low | 53.1 | Low | 109 Ų | 109 | 100 Ų | 100 | 51% | 0.505 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.3 | -34.7 | -178.8 | 62.6 | -85.6 | 0 | 0 | 0 | 113.7 | F37 E38 | H34-F37 CarbonylContact O-C 3.48Å; H34-F37 PolarHBondContact O-N 3.37Å; H34-E38 WeakPolarHBondContact O-CB 3.4Å; H34-E38 PolarHBondContact O-N 2.8Å |
| 35 | V | 60.8 | Low | 52.2 | Low | 65 Ų | 65 | 96.1 Ų | 96.1 | 39% | 0.394 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.7 | -46.6 | 178.8 | -176 | 0 | 0 | 0 | 0 | 111.6 | L23 C33 F37 | L23-V35 HydrophobicContact CD1-CB 4.29Å; L23-V35 HydrophobicContact CD1-CG1 4.03Å; L23-V35 HydrophobicContact CD1-CG2 4.03Å; C33-V35 VanDerWaalsContact C-N 3.29Å; C33-V35 PolarHBondContact O-N 3.2Å; V35-F37 PolarHBondContact O-N 3.31Å |
| 36 | C | 57.3 | Low | 51.8 | Low | 68 Ų | 68 | 102.8 Ų | 102.8 | 46% | 0.459 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.2 | -19.5 | 176.1 | -69.9 | 0 | 0 | 0 | 0 | 112.6 | C21 C33 | C21-C36 VanDerWaalsContact CB-SG 3.59Å; C33-C36 HydrophobicContact CB-CB 4.22Å; C33-C36 PolarHBondContact O-N 3.35Å |
| 37 | F | 54.4 | Low | 51.5 | Low | 100 Ų | 100 | 100.4 Ų | 100.4 | 44% | 0.439 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -100.2 | -3 | -176.2 | -145.6 | -99.6 | 0 | 0 | 0 | 113.3 | F32 C33 H34 V35 L39 H51 | F32-F37 HydrophobicContact CD2-CB 4.31Å; F32-F37 HydrophobicContact CD2-CD1 4.29Å; F32-F37 HydrophobicContact CD2-CG 4.19Å; F32-F37 HydrophobicContact CE2-CD1 4.49Å; C33-F37 WeakPolarHBondContact O-CB 3.33Å; C33-F37 PolarHBondContact O-N 3.06Å; H34-F37 CarbonylContact O-C 3.48Å; H34-F37 PolarHBondContact O-N 3.37Å; V35-F37 PolarHBondContact O-N 3.31Å; F37-L39 VanDerWaalsContact C-N 3.34Å; F37-L39 PolarHBondContact O-N 3.11Å; F37-H51 AromaticContact CE1-CE1 3.69Å; F37-H51 AromaticContact CZ-CE1 3.58Å; F37-H51 AromaticContact CZ-ND1 3.99Å |
| 38 | E | 50.1 | Low | 51.3 | Low | 135 Ų | 135 | 100.3 Ų | 100.3 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | trans | -72.9 | 87.9 | 177 | -166.1 | 166.3 | -159.9 | 0 | 0 | 110.1 | H34 S40 | H34-E38 WeakPolarHBondContact O-CB 3.4Å; H34-E38 PolarHBondContact O-N 2.8Å; E38-S40 VanDerWaalsContact C-N 3.33Å; E38-S40 PolarHBondContact O-N 2.9Å; E38-S40 VanDerWaalsContact O-N 3.11Å | ||
| 39 | L | 49.1 | Very low | 51 | Low | 116 Ų | 116 | 99.8 Ų | 99.8 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | trans | -77.7 | 80.8 | 169.5 | -73.5 | 164.9 | 0 | 0 | 0 | 109.3 | F37 I41 L49 | F37-L39 VanDerWaalsContact C-N 3.34Å; F37-L39 PolarHBondContact O-N 3.11Å; L39-I41 PolarHBondContact O-N 2.89Å; L39-L49 WeakPolarHBondContact O-CD1 3.38Å | ||
| 40 | S | 41.6 | Very low | 50.9 | Low | 102 Ų | 102 | 100.7 Ų | 100.7 | 71% | 0.713 | 57% | 0.573 | S | S | * | * | trans | -79.2 | 92.7 | 166.2 | 65.8 | 0 | 0 | 0 | 0 | 109.4 | E38 | E38-S40 VanDerWaalsContact C-N 3.33Å; E38-S40 PolarHBondContact O-N 2.9Å; E38-S40 VanDerWaalsContact O-N 3.11Å | ||
| 41 | I | 48.5 | Very low | 50.7 | Low | 104 Ų | 104 | 102.5 Ų | 102.5 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | trans | -90.5 | 114.9 | 162.4 | -57.5 | 174.5 | 0 | 0 | 0 | 106.5 | L39 G43 V44 | L39-I41 PolarHBondContact O-N 2.89Å; I41-G43 PolarHBondContact O-N 3.39Å; I41-G43 VanDerWaalsContact O-N 3.09Å; I41-V44 HydrophobicContact CB-CG2 4.46Å; I41-V44 HydrophobicContact CG2-CG2 4.26Å; I41-V44 PolarHBondContact O-N 2.97Å | ||
| 42 | E | 41.9 | Very low | 50.1 | Low | 202 Ų | 202 | 101.1 Ų | 101.1 | 94% | 0.944 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | 114.8 | 179.6 | -166.3 | 165.2 | -168.5 | 0 | 0 | 110 | ||
| 43 | G | 47.6 | Very low | 49.4 | Very low | 82 Ų | 82 | 106.3 Ų | 106.3 | 85% | 0.845 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.5 | 0.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | I41 | I41-G43 PolarHBondContact O-N 3.39Å; I41-G43 VanDerWaalsContact O-N 3.09Å |
| 44 | V | 43.1 | Very low | 48.5 | Very low | 66 Ų | 66 | 110.9 Ų | 110.9 | 40% | 0.4 | 63% | 0.625 | S | S | . | * | trans | -113.5 | 129.4 | 178.4 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | I41 L49 | I41-V44 HydrophobicContact CB-CG2 4.46Å; I41-V44 HydrophobicContact CG2-CG2 4.26Å; I41-V44 PolarHBondContact O-N 2.97Å; V44-L49 HydrophobicContact CG1-CD2 4.46Å; V44-L49 HydrophobicContact CG1-CG 4.4Å | ||
| 45 | S | 47.4 | Very low | 47.9 | Very low | 73 Ų | 73 | 114.3 Ų | 114.3 | 51% | 0.51 | 65% | 0.646 | S | S | . | * | trans | -69.5 | 138.3 | -178.9 | 71.8 | 0 | 0 | 0 | 0 | 112 | A47 T48 | S45-A47 PolarHBondContact O-N 3.45Å; S45-T48 WeakPolarHBondContact O-CB 3.34Å; S45-T48 PolarHBondContact O-N 3.36Å; S45-T48 PolarHBondContact O-OG1 3.49Å; S45-T48 PolarHBondContact OG-OG1 2.92Å | ||
| 46 | H | 50.8 | Low | 47.2 | Very low | 155 Ų | 155 | 121.7 Ų | 121.7 | 72% | 0.718 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -54.8 | -27.2 | -178.4 | -72.5 | -92.3 | 0 | 0 | 0 | 114.3 | T48 L49 | H46-T48 PolarHBondContact O-N 3.06Å; H46-L49 PolarHBondContact O-N 2.91Å |
| 47 | A | 49.4 | Very low | 46.9 | Very low | 88 Ų | 88 | 120.2 Ų | 120.2 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -69.2 | -16.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S45 | S45-A47 PolarHBondContact O-N 3.45Š|
| 48 | T | 47 | Very low | 47.1 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 59% | 0.589 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -99.6 | -8.2 | -176.7 | -37.8 | 0 | 0 | 0 | 0 | 112.4 | S45 H46 L50 | S45-T48 WeakPolarHBondContact O-CB 3.34Å; S45-T48 PolarHBondContact O-N 3.36Å; S45-T48 PolarHBondContact O-OG1 3.49Å; S45-T48 PolarHBondContact OG-OG1 2.92Å; H46-T48 PolarHBondContact O-N 3.06Å; T48-L50 PolarHBondContact O-N 3.28Å |
| 49 | L | 49 | Very low | 47 | Very low | 62 Ų | 62 | 124.2 Ų | 124.2 | 33% | 0.325 | 68% | 0.675 | S | S | . | * | trans | -87.4 | 32.5 | 180 | -71.6 | 169.5 | 0 | 0 | 0 | 112.9 | L39 V44 H46 H51 | L39-L49 WeakPolarHBondContact O-CD1 3.38Å; V44-L49 HydrophobicContact CG1-CD2 4.46Å; V44-L49 HydrophobicContact CG1-CG 4.4Å; H46-L49 PolarHBondContact O-N 2.91Å; L49-H51 PolarHBondContact O-N 3.41Å; L49-H51 VanDerWaalsContact O-N 3.1Å | ||
| 50 | L | 45.5 | Very low | 47.2 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -79.9 | 92.2 | 164.1 | -69.7 | 173.6 | 0 | 0 | 0 | 108.2 | T48 | T48-L50 PolarHBondContact O-N 3.28Š|
| 51 | H | 48.5 | Very low | 47.7 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | trans | 38.8 | 84.8 | 162 | -58.5 | -80.6 | 0 | 0 | 0 | 115.7 | F37 L49 | F37-H51 AromaticContact CE1-CE1 3.69Å; F37-H51 AromaticContact CZ-CE1 3.58Å; F37-H51 AromaticContact CZ-ND1 3.99Å; L49-H51 PolarHBondContact O-N 3.41Å; L49-H51 VanDerWaalsContact O-N 3.1Å | ||
| 52 | S | 41.3 | Very low | 48.1 | Very low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 67% | 0.668 | S | S | * | * | trans | -127.3 | 122.7 | 158.7 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 53 | K | 45.8 | Very low | 49.1 | Very low | 206 Ų | 206 | 119.8 Ų | 119.8 | 90% | 0.896 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 72.1 | 65.7 | 159.2 | -56.5 | 175.5 | 179 | 177.4 | 0 | 117.6 | ||
| 54 | S | 41.6 | Very low | 49.9 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 76% | 0.762 | 63% | 0.633 | S | S | * | * | trans | -155.9 | 83.6 | 142.7 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | R56 | S54-R56 PolarHBondContact O-N 3.27Š| ||
| 55 | L | 46.1 | Very low | 50.7 | Low | 181 Ų | 181 | 127.1 Ų | 127.1 | 95% | 0.948 | 64% | 0.644 | S | S | * | * | trans | -86.6 | 60 | 166.8 | -71.4 | 174.7 | 0 | 0 | 0 | 109.8 | G57 | L55-G57 PolarHBondContact O-N 2.95Š| ||
| 56 | R | 45.7 | Very low | 51.4 | Low | 221 Ų | 221 | 128.5 Ų | 128.5 | 83% | 0.834 | 64% | 0.642 | S | S | * | * | trans | -89.6 | 63.5 | 153.4 | -163.2 | 168.1 | -86.5 | -111.3 | 2 | 107.1 | S54 H58 | S54-R56 PolarHBondContact O-N 3.27Å; R56-H58 PolarHBondContact O-N 3.45Å | ||
| 57 | G | 49.8 | Very low | 52.1 | Low | 37 Ų | 37 | 126.8 Ų | 126.8 | 38% | 0.381 | 64% | 0.638 | S | S | . | * | trans | -52.7 | 123 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L55 R59 | L55-G57 PolarHBondContact O-N 2.95Å; G57-R59 PolarHBondContact O-N 3.41Å | ||
| 58 | H | 58.9 | Low | 52.8 | Low | 129 Ų | 129 | 128 Ų | 128 | 60% | 0.597 | 63% | 0.631 | S | S | * | * | trans | -55 | 133.7 | -173.3 | -72.7 | -119.4 | 0 | 0 | 0 | 109.7 | R56 E60 C61 F62 | R56-H58 PolarHBondContact O-N 3.45Å; H58-E60 PolarHBondContact O-N 3.47Å; H58-C61 WeakPolarHBondContact O-CB 3.48Å; H58-C61 PolarHBondContact O-N 2.87Å; H58-F62 PolarHBondContact O-N 3.26Å | ||
| 59 | R | 48.4 | Very low | 53.5 | Low | 189 Ų | 189 | 126.4 Ų | 126.4 | 71% | 0.713 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -45.8 | -38.5 | -179 | -163.4 | -167.7 | 95.1 | 152.7 | 10.7 | 111.8 | G57 C61 F62 E63 | G57-R59 PolarHBondContact O-N 3.41Å; R59-C61 PolarHBondContact O-N 3.31Å; R59-F62 PolarHBondContact O-N 3.47Å; R59-E63 IonicContact CZ-OE2 3.46Å; R59-E63 IonicContact NE-OE2 3.35Å; R59-E63 PolarHBondContact NE-OE2 3.02Å; R59-E63 IonicContact NH2-OE1 3.43Å; R59-E63 PolarHBondContact NH2-OE1 2.91Å; R59-E63 IonicContact NH2-OE2 2.87Å; R59-E63 PolarHBondContact NH2-OE2 3.46Å; R59-E63 VanDerWaalsContact O-CB 3.22Å; R59-E63 WeakPolarHBondContact O-CB 3.4Å; R59-E63 PolarHBondContact O-N 2.86Å |
| 60 | E | 52.5 | Low | 53.8 | Low | 126 Ų | 126 | 129.2 Ų | 129.2 | 59% | 0.589 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.2 | -34.8 | -179.8 | -65.7 | 159.1 | -160 | 0 | 0 | 113.5 | H58 K64 | H58-E60 PolarHBondContact O-N 3.47Å; E60-K64 VanDerWaalsContact O-CB 3.31Å; E60-K64 WeakPolarHBondContact O-CB 3.42Å; E60-K64 VanDerWaalsContact O-CG 3.22Å; E60-K64 WeakPolarHBondContact O-CG 3.5Å; E60-K64 PolarHBondContact O-N 2.9Å |
| 61 | C | 52.7 | Low | 54.8 | Low | 84 Ų | 84 | 128.9 Ų | 128.9 | 57% | 0.568 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.1 | -40.6 | 176.4 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | H58 R59 Y65 | H58-C61 WeakPolarHBondContact O-CB 3.48Å; H58-C61 PolarHBondContact O-N 2.87Å; R59-C61 PolarHBondContact O-N 3.31Å; C61-Y65 PolarHBondContact O-N 3.17Å |
| 62 | F | 57.1 | Low | 55.1 | Low | 128 Ų | 128 | 131.4 Ų | 131.4 | 56% | 0.561 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67 | -41.6 | 173.4 | -88.4 | -84.8 | 0 | 0 | 0 | 111.8 | H58 R59 Y65 H66 | H58-F62 PolarHBondContact O-N 3.26Å; R59-F62 PolarHBondContact O-N 3.47Å; F62-Y65 PolarHBondContact O-N 3.09Å; F62-H66 PolarHBondContact O-CD2 3.03Å; F62-H66 PolarHBondContact O-N 3.49Å |
| 63 | E | 62.7 | Low | 55.6 | Low | 94 Ų | 94 | 133.9 Ų | 133.9 | 44% | 0.439 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 178.8 | -165.2 | 160.5 | -160.9 | 0 | 0 | 111.1 | R59 H66 L67 | R59-E63 IonicContact CZ-OE2 3.46Å; R59-E63 IonicContact NE-OE2 3.35Å; R59-E63 PolarHBondContact NE-OE2 3.02Å; R59-E63 IonicContact NH2-OE1 3.43Å; R59-E63 PolarHBondContact NH2-OE1 2.91Å; R59-E63 IonicContact NH2-OE2 2.87Å; R59-E63 PolarHBondContact NH2-OE2 3.46Å; R59-E63 VanDerWaalsContact O-CB 3.22Å; R59-E63 WeakPolarHBondContact O-CB 3.4Å; R59-E63 PolarHBondContact O-N 2.86Å; E63-H66 PolarHBondContact O-N 3.07Å; E63-L67 WeakPolarHBondContact O-CB 3.22Å; E63-L67 PolarHBondContact O-N 3.44Å |
| 64 | K | 64.8 | Low | 55.7 | Low | 142 Ų | 142 | 129.3 Ų | 129.3 | 62% | 0.617 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.4 | -43.4 | 172.1 | -76.7 | 175.2 | -176.5 | 178.9 | 0 | 112.4 | E60 H66 L67 I68 | E60-K64 VanDerWaalsContact O-CB 3.31Å; E60-K64 WeakPolarHBondContact O-CB 3.42Å; E60-K64 VanDerWaalsContact O-CG 3.22Å; E60-K64 WeakPolarHBondContact O-CG 3.5Å; E60-K64 PolarHBondContact O-N 2.9Å; K64-H66 PolarHBondContact O-N 3.42Å; K64-L67 WeakPolarHBondContact O-CB 3.26Å; K64-L67 PolarHBondContact O-N 2.94Å; K64-I68 VanDerWaalsContact O-CG1 3.27Å; K64-I68 WeakPolarHBondContact O-CG1 2.99Å; K64-I68 PolarHBondContact O-N 2.73Å |
| 65 | Y | 59 | Low | 56.1 | Low | 159 Ų | 159 | 134.4 Ų | 134.4 | 62% | 0.624 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -60.9 | -45.5 | 175.9 | 177.9 | -97.9 | 0 | 0 | 0 | 111.9 | C61 F62 L67 I68 A69 | C61-Y65 PolarHBondContact O-N 3.17Å; F62-Y65 PolarHBondContact O-N 3.09Å; Y65-L67 VanDerWaalsContact C-N 3.31Å; Y65-L67 PolarHBondContact O-N 3.05Å; Y65-I68 PolarHBondContact O-N 3.04Å; Y65-A69 WeakPolarHBondContact O-CB 3.42Å; Y65-A69 PolarHBondContact O-N 3.49Å |
| 66 | H | 63.3 | Low | 56.1 | Low | 102 Ų | 102 | 130.5 Ų | 130.5 | 47% | 0.472 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.7 | -33.8 | 175.9 | -76.5 | -61.6 | 0 | 0 | 0 | 112.6 | F62 E63 K64 N70 | F62-H66 PolarHBondContact O-CD2 3.03Å; F62-H66 PolarHBondContact O-N 3.49Å; E63-H66 PolarHBondContact O-N 3.07Å; K64-H66 PolarHBondContact O-N 3.42Å; H66-N70 VanDerWaalsContact O-CB 3.24Å; H66-N70 WeakPolarHBondContact O-CB 3.3Å; H66-N70 VanDerWaalsContact O-CG 3.26Å; H66-N70 PolarHBondContact O-N 3.1Å; H66-N70 PolarHBondContact O-ND2 2.97Å |
| 67 | L | 64.2 | Low | 56.6 | Low | 119 Ų | 119 | 129.6 Ų | 129.6 | 62% | 0.623 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.8 | -44.5 | 174 | -132.4 | 82.2 | 0 | 0 | 0 | 111.5 | E63 K64 Y65 N70 Q71 | E63-L67 WeakPolarHBondContact O-CB 3.22Å; E63-L67 PolarHBondContact O-N 3.44Å; K64-L67 WeakPolarHBondContact O-CB 3.26Å; K64-L67 PolarHBondContact O-N 2.94Å; Y65-L67 VanDerWaalsContact C-N 3.31Å; Y65-L67 PolarHBondContact O-N 3.05Å; L67-N70 PolarHBondContact O-N 2.89Å; L67-Q71 PolarHBondContact O-N 3.33Å |
| 68 | I | 64.1 | Low | 56.6 | Low | 114 Ų | 114 | 134.3 Ų | 134.3 | 59% | 0.585 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66 | -45.1 | 177.7 | -64.9 | 163.5 | 0 | 0 | 0 | 110.5 | K64 Y65 N70 Q71 | K64-I68 VanDerWaalsContact O-CG1 3.27Å; K64-I68 WeakPolarHBondContact O-CG1 2.99Å; K64-I68 PolarHBondContact O-N 2.73Å; Y65-I68 PolarHBondContact O-N 3.04Å; I68-N70 VanDerWaalsContact C-N 3.25Å; I68-N70 PolarHBondContact O-N 3.44Å; I68-Q71 PolarHBondContact O-N 2.98Å |
| 69 | A | 62.2 | Low | 56 | Low | 63 Ų | 63 | 133.1 Ų | 133.1 | 52% | 0.521 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -64.6 | -28.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y65 | Y65-A69 WeakPolarHBondContact O-CB 3.42Å; Y65-A69 PolarHBondContact O-N 3.49Å |
| 70 | N | 56.4 | Low | 56.5 | Low | 120 Ų | 120 | 134.7 Ų | 134.7 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 0.8 | 180 | -71.1 | -45.2 | 0 | 0 | 0 | 114 | H66 L67 I68 K72 | H66-N70 VanDerWaalsContact O-CB 3.24Å; H66-N70 WeakPolarHBondContact O-CB 3.3Å; H66-N70 VanDerWaalsContact O-CG 3.26Å; H66-N70 PolarHBondContact O-N 3.1Å; H66-N70 PolarHBondContact O-ND2 2.97Å; L67-N70 PolarHBondContact O-N 2.89Å; I68-N70 VanDerWaalsContact C-N 3.25Å; I68-N70 PolarHBondContact O-N 3.44Å; N70-K72 PolarHBondContact O-N 3.48Å |
| 71 | Q | 65.4 | Low | 56.7 | Low | 134 Ų | 134 | 131.9 Ų | 131.9 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | trans | -62.6 | 109.3 | 169.1 | -80.8 | -178.2 | 10.7 | 0 | 0 | 108.8 | L67 I68 L73 | L67-Q71 PolarHBondContact O-N 3.33Å; I68-Q71 PolarHBondContact O-N 2.98Å; Q71-L73 VanDerWaalsContact C-N 3.28Å; Q71-L73 PolarHBondContact O-N 3.29Å | ||
| 72 | K | 54.6 | Low | 56.9 | Low | 204 Ų | 204 | 132.5 Ų | 132.5 | 89% | 0.887 | 68% | 0.676 | S | S | * | * | trans | -68.8 | 92.8 | 170.5 | -68.7 | -177 | -177.9 | 175.7 | 0 | 107.4 | N70 S74 | N70-K72 PolarHBondContact O-N 3.48Å; K72-S74 PolarHBondContact O-N 3.31Å | ||
| 73 | L | 53 | Low | 57 | Low | 151 Ų | 151 | 133.2 Ų | 133.2 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | trans | -51.1 | 112.6 | 160.5 | -69.6 | 167.4 | 0 | 0 | 0 | 106.3 | Q71 R75 | Q71-L73 VanDerWaalsContact C-N 3.28Å; Q71-L73 PolarHBondContact O-N 3.29Å; L73-R75 PolarHBondContact O-N 3.1Å | ||
| 74 | S | 47.7 | Very low | 57.4 | Low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | trans | -53.4 | 108.8 | 169.6 | 47 | 0 | 0 | 0 | 0 | 105.9 | K72 S76 | K72-S74 PolarHBondContact O-N 3.31Å; S74-S76 PolarHBondContact O-N 2.95Å | ||
| 75 | R | 50 | Low | 57.6 | Low | 216 Ų | 216 | 127.6 Ų | 127.6 | 82% | 0.815 | 67% | 0.665 | S | S | * | * | trans | -57.8 | 86.3 | 176.4 | -89.8 | -179.3 | 158.2 | -168.4 | -9 | 107.3 | L73 K77 E84 | L73-R75 PolarHBondContact O-N 3.1Å; R75-K77 PolarHBondContact O-N 3.46Å; R75-K77 VanDerWaalsContact O-N 3.12Å; R75-E84 IonicContact NH2-OE1 3.49Å | ||
| 76 | S | 46.6 | Very low | 58.2 | Low | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | trans | -60.3 | 117.3 | 164.1 | 58.7 | 0 | 0 | 0 | 0 | 104.8 | S74 V78 | S74-S76 PolarHBondContact O-N 2.95Å; S76-V78 PolarHBondContact O-N 3.31Å | ||
| 77 | K | 54.5 | Low | 58.8 | Low | 201 Ų | 201 | 127.8 Ų | 127.8 | 87% | 0.874 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -41.4 | 127.5 | 171.6 | -66.5 | 168.3 | 177.7 | 173.3 | 0 | 107.5 | R75 | R75-K77 PolarHBondContact O-N 3.46Å; R75-K77 VanDerWaalsContact O-N 3.12Å |
| 78 | V | 49.9 | Very low | 59.4 | Low | 136 Ų | 136 | 126.4 Ų | 126.4 | 82% | 0.824 | 66% | 0.664 | S | S | * | * | trans | 112.9 | 76.1 | -176.6 | -174.3 | 0 | 0 | 0 | 0 | 113.1 | S76 | S76-V78 PolarHBondContact O-N 3.31Š| ||
| 79 | S | 47.2 | Very low | 60 | Low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | 172.9 | 113.5 | 103.7 | 63.1 | 0 | 0 | 0 | 0 | 107.1 | S81 | S79-S81 PolarHBondContact O-N 3.2Š| |||
| 80 | R | 58.6 | Low | 60.9 | Low | 222 Ų | 222 | 125.1 Ų | 125.1 | 84% | 0.838 | 66% | 0.656 | S | S | * | * | trans | -68.8 | 102.9 | 168.6 | -155.3 | 178.7 | -170.6 | 175.6 | 1.1 | 104.8 | A82 E84 | R80-A82 PolarHBondContact O-N 2.99Å; R80-E84 VanDerWaalsContact CG-OE2 3.25Å; R80-E84 WeakPolarHBondContact CG-OE2 3.36Å | ||
| 81 | S | 56.3 | Low | 62.2 | Low | 67 Ų | 67 | 121.9 Ų | 121.9 | 47% | 0.469 | 64% | 0.643 | S | S | . | * | trans | -55.2 | 133 | -178.1 | 167.3 | 0 | 0 | 0 | 0 | 108.8 | S79 Y83 E84 | S79-S81 PolarHBondContact O-N 3.2Å; S81-Y83 PolarHBondContact O-N 3.02Å; S81-Y83 VanDerWaalsContact OG-CB 3.31Å; S81-Y83 WeakPolarHBondContact OG-CB 3.39Å; S81-Y83 PolarHBondContact OG-N 3.39Å; S81-E84 VanDerWaalsContact O-CB 3.3Å; S81-E84 WeakPolarHBondContact O-CB 3.37Å; S81-E84 PolarHBondContact O-N 3.1Å | ||
| 82 | A | 57.8 | Low | 63.2 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 79% | 0.793 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -54.1 | -18.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R80 | R80-A82 PolarHBondContact O-N 2.99Å |
| 83 | Y | 58.8 | Low | 64.6 | Low | 143 Ų | 143 | 117.9 Ų | 117.9 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -81.9 | -16.4 | 177.4 | -155 | -98 | 0 | 0 | 0 | 114.3 | S81 G85 M86 K87 | S81-Y83 PolarHBondContact O-N 3.02Å; S81-Y83 VanDerWaalsContact OG-CB 3.31Å; S81-Y83 WeakPolarHBondContact OG-CB 3.39Å; S81-Y83 PolarHBondContact OG-N 3.39Å; Y83-G85 VanDerWaalsContact C-N 3.33Å; Y83-G85 PolarHBondContact O-N 3.48Å; Y83-M86 HydrophobicContact CD2-CE 3.63Å; Y83-M86 HydrophobicContact CE2-CE 4.14Å; Y83-M86 HydrophobicContact CG-CE 4.44Å; Y83-M86 PolarHBondContact O-N 3.25Å; Y83-K87 HydrophobicContact CD1-CB 4.46Å; Y83-K87 WeakPolarHBondContact O-CB 3.25Å; Y83-K87 PolarHBondContact O-N 2.97Å |
| 84 | E | 71.6 | Confident | 66.2 | Low | 70 Ų | 70 | 114.9 Ų | 114.9 | 33% | 0.327 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.2 | -37.1 | -178.1 | -168.2 | 163.6 | -164 | 0 | 0 | 111.6 | R75 R80 S81 L88 | R75-E84 IonicContact NH2-OE1 3.49Å; R80-E84 VanDerWaalsContact CG-OE2 3.25Å; R80-E84 WeakPolarHBondContact CG-OE2 3.36Å; S81-E84 VanDerWaalsContact O-CB 3.3Å; S81-E84 WeakPolarHBondContact O-CB 3.37Å; S81-E84 PolarHBondContact O-N 3.1Å; E84-L88 PolarHBondContact O-N 3.28Å; E84-L88 VanDerWaalsContact O-N 3.08Å |
| 85 | G | 67.7 | Low | 67.9 | Low | 49 Ų | 49 | 112.6 Ų | 112.6 | 51% | 0.505 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.1 | -41.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y83 L88 A89 | Y83-G85 VanDerWaalsContact C-N 3.33Å; Y83-G85 PolarHBondContact O-N 3.48Å; G85-L88 PolarHBondContact O-N 2.95Å; G85-A89 WeakPolarHBondContact O-CB 3.3Å; G85-A89 PolarHBondContact O-N 3.48Å |
| 86 | M | 71.4 | Confident | 69.3 | Low | 116 Ų | 116 | 110.3 Ų | 110.3 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.9 | -39.7 | 176.5 | -76.3 | -172 | -74.3 | 0 | 0 | 112.1 | Y83 L88 A89 L90 | Y83-M86 HydrophobicContact CD2-CE 3.63Å; Y83-M86 HydrophobicContact CE2-CE 4.14Å; Y83-M86 HydrophobicContact CG-CE 4.44Å; Y83-M86 PolarHBondContact O-N 3.25Å; M86-L88 VanDerWaalsContact C-N 3.34Å; M86-L88 PolarHBondContact O-N 3.49Å; M86-A89 PolarHBondContact O-N 3.08Å; M86-L90 VanDerWaalsContact O-CB 3.25Å; M86-L90 WeakPolarHBondContact O-CB 3.43Å; M86-L90 PolarHBondContact O-N 3.22Å |
| 87 | K | 76.9 | Confident | 71.1 | Confident | 149 Ų | 149 | 111 Ų | 111 | 65% | 0.648 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.5 | -43 | 176.2 | -170.7 | 175.8 | -179.8 | 177.7 | 0 | 111.6 | Y83 S91 | Y83-K87 HydrophobicContact CD1-CB 4.46Å; Y83-K87 WeakPolarHBondContact O-CB 3.25Å; Y83-K87 PolarHBondContact O-N 2.97Å; K87-S91 VanDerWaalsContact O-CB 3.3Å; K87-S91 WeakPolarHBondContact O-CB 3.44Å; K87-S91 PolarHBondContact O-N 3.45Å; K87-S91 PolarHBondContact O-OG 2.89Å |
| 88 | L | 77.4 | Confident | 72.5 | Confident | 89 Ų | 89 | 104.5 Ų | 104.5 | 47% | 0.466 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.6 | -42.7 | 175.7 | -84.5 | 161.9 | 0 | 0 | 0 | 112.6 | E84 G85 M86 S91 Q92 | E84-L88 PolarHBondContact O-N 3.28Å; E84-L88 VanDerWaalsContact O-N 3.08Å; G85-L88 PolarHBondContact O-N 2.95Å; M86-L88 VanDerWaalsContact C-N 3.34Å; M86-L88 PolarHBondContact O-N 3.49Å; L88-S91 PolarHBondContact O-N 3.27Å; L88-S91 PolarHBondContact O-OG 3.3Å; L88-S91 VanDerWaalsContact O-OG 3.04Å; L88-Q92 WeakPolarHBondContact O-CB 3.35Å; L88-Q92 VanDerWaalsContact O-CG 3.28Å; L88-Q92 WeakPolarHBondContact O-CG 3.19Å; L88-Q92 PolarHBondContact O-N 2.96Å |
| 89 | A | 76.3 | Confident | 74 | Confident | 50 Ų | 50 | 102.6 Ų | 102.6 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G85 M86 K93 | G85-A89 WeakPolarHBondContact O-CB 3.3Å; G85-A89 PolarHBondContact O-N 3.48Å; M86-A89 PolarHBondContact O-N 3.08Å; A89-K93 PolarHBondContact O-N 2.86Å |
| 90 | L | 81.2 | Confident | 75.4 | Confident | 101 Ų | 101 | 106.9 Ų | 106.9 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67 | -45.5 | 175.7 | -178.2 | 61.4 | 0 | 0 | 0 | 111.1 | M86 Q92 K93 I94 | M86-L90 VanDerWaalsContact O-CB 3.25Å; M86-L90 WeakPolarHBondContact O-CB 3.43Å; M86-L90 PolarHBondContact O-N 3.22Å; L90-Q92 VanDerWaalsContact C-N 3.29Å; L90-Q92 PolarHBondContact O-N 2.97Å; L90-K93 PolarHBondContact O-N 3.08Å; L90-I94 HydrophobicContact CD1-CD1 4.03Å; L90-I94 HydrophobicContact CD1-CG1 4.3Å; L90-I94 HydrophobicContact CG-CD1 3.86Å; L90-I94 WeakPolarHBondContact O-CG1 3.41Å; L90-I94 PolarHBondContact O-N 3.15Å |
| 91 | S | 83.3 | Confident | 76.1 | Confident | 52 Ų | 52 | 100.1 Ų | 100.1 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -37.5 | 178.5 | 77.9 | 0 | 0 | 0 | 0 | 111.8 | K87 L88 S95 | K87-S91 VanDerWaalsContact O-CB 3.3Å; K87-S91 WeakPolarHBondContact O-CB 3.44Å; K87-S91 PolarHBondContact O-N 3.45Å; K87-S91 PolarHBondContact O-OG 2.89Å; L88-S91 PolarHBondContact O-N 3.27Å; L88-S91 PolarHBondContact O-OG 3.3Å; L88-S91 VanDerWaalsContact O-OG 3.04Å; S91-S95 WeakPolarHBondContact O-CB 3.15Å; S91-S95 PolarHBondContact O-N 3.04Å; S91-S95 PolarHBondContact O-OG 3.28Å |
| 92 | Q | 85.9 | Confident | 77.2 | Confident | 109 Ų | 109 | 102.8 Ų | 102.8 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 174.9 | -77.3 | 177.4 | -3.5 | 0 | 0 | 112.3 | L88 L90 S95 R96 | L88-Q92 WeakPolarHBondContact O-CB 3.35Å; L88-Q92 VanDerWaalsContact O-CG 3.28Å; L88-Q92 WeakPolarHBondContact O-CG 3.19Å; L88-Q92 PolarHBondContact O-N 2.96Å; L90-Q92 VanDerWaalsContact C-N 3.29Å; L90-Q92 PolarHBondContact O-N 2.97Å; Q92-S95 PolarHBondContact O-N 2.75Å; Q92-R96 WeakPolarHBondContact O-CG 3.23Å; Q92-R96 PolarHBondContact O-N 3.21Å |
| 93 | K | 84.7 | Confident | 77.7 | Confident | 144 Ų | 144 | 105 Ų | 105 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.1 | -45.2 | 175.5 | -80 | -173.2 | 175.6 | -175 | 0 | 112 | A89 L90 S95 R96 I97 | A89-K93 PolarHBondContact O-N 2.86Å; L90-K93 PolarHBondContact O-N 3.08Å; K93-S95 VanDerWaalsContact C-N 3.3Å; K93-S95 PolarHBondContact O-N 3.19Å; K93-R96 PolarHBondContact O-N 2.73Å; K93-I97 VanDerWaalsContact O-CG1 3.31Å; K93-I97 WeakPolarHBondContact O-CG1 3.5Å; K93-I97 PolarHBondContact O-N 3.02Å |
| 94 | I | 87.2 | Confident | 77.7 | Confident | 89 Ų | 89 | 105 Ų | 105 | 46% | 0.456 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 175.9 | -67 | 168.7 | 0 | 0 | 0 | 110.1 | L90 R96 I97 V98 | L90-I94 HydrophobicContact CD1-CD1 4.03Å; L90-I94 HydrophobicContact CD1-CG1 4.3Å; L90-I94 HydrophobicContact CG-CD1 3.86Å; L90-I94 WeakPolarHBondContact O-CG1 3.41Å; L90-I94 PolarHBondContact O-N 3.15Å; I94-R96 VanDerWaalsContact C-N 3.33Å; I94-R96 PolarHBondContact O-N 3.39Å; I94-I97 PolarHBondContact O-N 2.93Å; I94-V98 HydrophobicContact CG2-CG2 4.38Å; I94-V98 VanDerWaalsContact O-CG2 3.3Å; I94-V98 WeakPolarHBondContact O-CG2 3.28Å; I94-V98 PolarHBondContact O-N 3.37Å |
| 95 | S | 82 | Confident | 77 | Confident | 61 Ų | 61 | 108.8 Ų | 108.8 | 43% | 0.427 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.2 | -39 | 178 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | S91 Q92 K93 V98 Q99 | S91-S95 WeakPolarHBondContact O-CB 3.15Å; S91-S95 PolarHBondContact O-N 3.04Å; S91-S95 PolarHBondContact O-OG 3.28Å; Q92-S95 PolarHBondContact O-N 2.75Å; K93-S95 VanDerWaalsContact C-N 3.3Å; K93-S95 PolarHBondContact O-N 3.19Å; S95-V98 PolarHBondContact O-N 3.38Å; S95-Q99 WeakPolarHBondContact O-CB 3.37Å; S95-Q99 VanDerWaalsContact O-CG 3.24Å; S95-Q99 WeakPolarHBondContact O-CG 3.45Å; S95-Q99 PolarHBondContact O-N 3.06Å |
| 96 | R | 80.9 | Confident | 76.2 | Confident | 168 Ų | 168 | 112 Ų | 112 | 63% | 0.634 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.3 | -39 | 175 | -73 | 178.9 | -174.2 | 175.4 | 2.8 | 112.6 | Q92 K93 I94 V98 Q99 Y100 | Q92-R96 WeakPolarHBondContact O-CG 3.23Å; Q92-R96 PolarHBondContact O-N 3.21Å; K93-R96 PolarHBondContact O-N 2.73Å; I94-R96 VanDerWaalsContact C-N 3.33Å; I94-R96 PolarHBondContact O-N 3.39Å; R96-V98 VanDerWaalsContact C-N 3.34Å; R96-Q99 PolarHBondContact O-N 2.91Å; R96-Y100 VanDerWaalsContact O-CB 3.29Å; R96-Y100 WeakPolarHBondContact O-CB 3.39Å; R96-Y100 PolarHBondContact O-N 2.87Å |
| 97 | I | 82.9 | Confident | 74.8 | Confident | 115 Ų | 115 | 112.3 Ų | 112.3 | 59% | 0.59 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.9 | -43.2 | 175.6 | -67.3 | 164.4 | 0 | 0 | 0 | 110.1 | K93 I94 Y100 A101 | K93-I97 VanDerWaalsContact O-CG1 3.31Å; K93-I97 WeakPolarHBondContact O-CG1 3.5Å; K93-I97 PolarHBondContact O-N 3.02Å; I94-I97 PolarHBondContact O-N 2.93Å; I97-Y100 PolarHBondContact O-N 2.96Å; I97-A101 VanDerWaalsContact O-CB 3.28Å; I97-A101 WeakPolarHBondContact O-CB 3.33Å; I97-A101 PolarHBondContact O-N 3.38Å |
| 98 | V | 83.8 | Confident | 73.1 | Confident | 64 Ų | 64 | 110.3 Ų | 110.3 | 39% | 0.388 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.2 | -43.9 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | I94 S95 R96 Y100 A101 Q102 | I94-V98 HydrophobicContact CG2-CG2 4.38Å; I94-V98 VanDerWaalsContact O-CG2 3.3Å; I94-V98 WeakPolarHBondContact O-CG2 3.28Å; I94-V98 PolarHBondContact O-N 3.37Å; S95-V98 PolarHBondContact O-N 3.38Å; R96-V98 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3Å; V98-A101 PolarHBondContact O-N 3.38Å; V98-Q102 HydrophobicContact CG1-CG 4.41Å; V98-Q102 VanDerWaalsContact O-CB 3.29Å; V98-Q102 WeakPolarHBondContact O-CB 3.37Å; V98-Q102 WeakPolarHBondContact O-CG 3.49Å; V98-Q102 PolarHBondContact O-N 3.45Å |
| 99 | Q | 81.5 | Confident | 71.1 | Confident | 95 Ų | 95 | 113.9 Ų | 113.9 | 44% | 0.444 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.1 | -41.3 | 176.9 | -75.9 | 170.6 | -7.7 | 0 | 0 | 112.4 | S95 R96 Q102 N103 K104 | S95-Q99 WeakPolarHBondContact O-CB 3.37Å; S95-Q99 VanDerWaalsContact O-CG 3.24Å; S95-Q99 WeakPolarHBondContact O-CG 3.45Å; S95-Q99 PolarHBondContact O-N 3.06Å; R96-Q99 PolarHBondContact O-N 2.91Å; Q99-Q102 CarbonylContact O-C 3.6Å; Q99-Q102 PolarHBondContact O-N 2.91Å; Q99-N103 PolarHBondContact O-N 3.42Å; Q99-K104 PolarHBondContact O-N 3.43Å |
| 100 | Y | 76.8 | Confident | 69.1 | Low | 195 Ų | 195 | 120.6 Ų | 120.6 | 77% | 0.765 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.3 | -46.3 | 175.8 | -176 | -98.9 | 0 | 0 | 0 | 111.7 | R96 I97 V98 Q102 N103 | R96-Y100 VanDerWaalsContact O-CB 3.29Å; R96-Y100 WeakPolarHBondContact O-CB 3.39Å; R96-Y100 PolarHBondContact O-N 2.87Å; I97-Y100 PolarHBondContact O-N 2.96Å; V98-Y100 PolarHBondContact O-N 3Å; Y100-Q102 PolarHBondContact O-N 3.36Å; Y100-N103 PolarHBondContact O-N 3.16Å; Y100-N103 VanDerWaalsContact O-N 3.11Å |
| 101 | A | 74.7 | Confident | 66.7 | Low | 81 Ų | 81 | 119.7 Ų | 119.7 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.8 | -26.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I97 V98 | I97-A101 VanDerWaalsContact O-CB 3.28Å; I97-A101 WeakPolarHBondContact O-CB 3.33Å; I97-A101 PolarHBondContact O-N 3.38Å; V98-A101 PolarHBondContact O-N 3.38Å |
| 102 | Q | 79.4 | Confident | 64 | Low | 122 Ų | 122 | 120.8 Ų | 120.8 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 3.9 | 177.5 | -68.8 | 176.8 | -2.8 | 0 | 0 | 113.7 | V98 Q99 Y100 K104 | V98-Q102 HydrophobicContact CG1-CG 4.41Å; V98-Q102 VanDerWaalsContact O-CB 3.29Å; V98-Q102 WeakPolarHBondContact O-CB 3.37Å; V98-Q102 WeakPolarHBondContact O-CG 3.49Å; V98-Q102 PolarHBondContact O-N 3.45Å; Q99-Q102 CarbonylContact O-C 3.6Å; Q99-Q102 PolarHBondContact O-N 2.91Å; Y100-Q102 PolarHBondContact O-N 3.36Å; Q102-K104 HydrophobicContact CB-CG 4.13Å; Q102-K104 PolarHBondContact O-N 3.43Å; Q102-K104 VanDerWaalsContact O-N 3.09Å |
| 103 | N | 66.6 | Low | 61.6 | Low | 142 Ų | 142 | 122.2 Ų | 122.2 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.4 | 37 | -173.4 | -80.6 | -35.1 | 0 | 0 | 0 | 112.7 | Q99 Y100 D105 | Q99-N103 PolarHBondContact O-N 3.42Å; Y100-N103 PolarHBondContact O-N 3.16Å; Y100-N103 VanDerWaalsContact O-N 3.11Å; N103-D105 PolarHBondContact O-N 2.99Å |
| 104 | K | 59.8 | Low | 59 | Low | 145 Ų | 145 | 118.8 Ų | 118.8 | 63% | 0.63 | 69% | 0.688 | S | S | * | * | trans | -93.7 | 84.8 | 176.8 | -73.7 | -143.4 | 173.6 | -171.2 | 0 | 109.2 | Q99 Q102 S106 | Q99-K104 PolarHBondContact O-N 3.43Å; Q102-K104 HydrophobicContact CB-CG 4.13Å; Q102-K104 PolarHBondContact O-N 3.43Å; Q102-K104 VanDerWaalsContact O-N 3.09Å; K104-S106 PolarHBondContact O-N 3.22Å | ||
| 105 | D | 57.6 | Low | 56.5 | Low | 148 Ų | 148 | 124.6 Ų | 124.6 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | trans | -61.3 | 116.1 | 158.6 | -69.6 | -36.4 | 0 | 0 | 0 | 107.5 | N103 V107 | N103-D105 PolarHBondContact O-N 2.99Å; D105-V107 PolarHBondContact O-N 3.49Å | ||
| 106 | S | 49.8 | Very low | 54.2 | Low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -68.5 | 80.9 | 173.9 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | K104 | K104-S106 PolarHBondContact O-N 3.22Š| ||
| 107 | V | 42.6 | Very low | 52 | Low | 123 Ų | 123 | 128 Ų | 128 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | trans | -96.2 | 114.7 | 160.2 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | D105 | D105-V107 PolarHBondContact O-N 3.49Š| ||
| 108 | S | 39.9 | Very low | 49.6 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | 124.3 | 90.9 | 158.1 | -59.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 109 | L | 35.9 | Very low | 47.3 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | S | Bend | -144.4 | 114.7 | 124.7 | -143.9 | 84.7 | 0 | 0 | 0 | 108.5 | |||
| 110 | E | 34.3 | Very low | 45.4 | Very low | 190 Ų | 190 | 137.4 Ų | 137.4 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 55.4 | 124.6 | 153.8 | -52.4 | -119.3 | 140.4 | 0 | 0 | 118.1 | ||||
| 111 | G | 30.5 | Very low | 43.4 | Very low | 83 Ų | 83 | 136.5 Ų | 136.5 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | cis | 161.8 | 130 | 10.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 112 | G | 27.1 | Very low | 41.9 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 156.3 | 120.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 113 | P | 36.5 | Very low | 39.8 | Very low | 138 Ų | 138 | 142 Ų | 142 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -88.4 | 136.3 | -165.7 | 34.4 | -32 | 0 | 0 | 0 | 112.1 | ||||
| 114 | G | 29.7 | Very low | 38 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | 173.8 | 77.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 115 | R | 34 | Very low | 36.5 | Very low | 211 Ų | 211 | 144.1 Ų | 144.1 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | trans | 62 | 122.6 | 144.5 | -76.5 | -172.9 | -169.8 | -92.5 | 4.4 | 121.7 | ||||
| 116 | R | 34.6 | Very low | 35.1 | Very low | 214 Ų | 214 | 141.6 Ų | 141.6 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | 77.2 | 112.4 | 139.1 | -68.7 | -171.9 | -157.5 | -98.9 | 5.2 | 117.9 | ||||
| 117 | G | 34.9 | Very low | 34.2 | Very low | 85 Ų | 85 | 144.5 Ų | 144.5 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | -70.7 | 158.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 118 | G | 32.5 | Very low | 33.6 | Very low | 70 Ų | 70 | 145.8 Ų | 145.8 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | -164.7 | 96 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 119 | K | 34.6 | Very low | 33.1 | Very low | 206 Ų | 206 | 144.2 Ų | 144.2 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | 58.7 | 104.8 | 103.2 | -78 | -174 | 176.5 | -178.5 | 0 | 113.7 | |||||
| 120 | H | 40.7 | Very low | 32.8 | Very low | 197 Ų | 197 | 146 Ų | 146 | 91% | 0.912 | 82% | 0.822 | S | S | * | * | trans | -35 | 129.6 | 153 | -71.7 | -119.1 | 0 | 0 | 0 | 112.2 | ||||
| 121 | Q | 36.1 | Very low | 32.7 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -149.5 | 107.5 | 152.2 | -156.7 | 156 | 25 | 0 | 0 | 110.4 | ||||
| 122 | L | 43.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -47.6 | 141.3 | 154.1 | -85.7 | 112.6 | 0 | 0 | 0 | 109.9 | ||||
| 123 | L | 34.3 | Very low | 33.4 | Very low | 158 Ų | 158 | 155.1 Ų | 155.1 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | trans | -161.3 | 125.8 | 148 | -100.8 | 158.2 | 0 | 0 | 0 | 110.3 | ||||
| 124 | C | 30.2 | Very low | 33 | Very low | 110 Ų | 110 | 156.4 Ų | 156.4 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | trans | -84.4 | 159.3 | 171.1 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 125 | Y | 27.5 | Very low | 33.3 | Very low | 222 Ų | 222 | 158.1 Ų | 158.1 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | trans | 104.5 | 124.7 | 147.7 | -124.8 | -103.2 | 0 | 0 | 0 | 121.3 | ||||
| 126 | S | 28.2 | Very low | 33.8 | Very low | 94 Ų | 94 | 157.7 Ų | 157.7 | 66% | 0.657 | 83% | 0.83 | S | S | * | * | trans | 71.4 | 115 | 144.5 | 57.2 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 127 | Q | 31.9 | Very low | 33.9 | Very low | 179 Ų | 179 | 152.9 Ų | 152.9 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | 76.9 | 133.4 | 124.4 | -126.1 | 172.7 | 44.9 | 0 | 0 | 123 | |||||
| 128 | N | 29.4 | Very low | 34.3 | Very low | 149 Ų | 149 | 156.5 Ų | 156.5 | 80% | 0.797 | 83% | 0.829 | S | S | * | * | trans | 83.8 | 107 | 156.4 | -80.9 | -5.4 | 0 | 0 | 0 | 121.9 | ||||
| 129 | G | 28.2 | Very low | 34.7 | Very low | 74 Ų | 74 | 156.6 Ų | 156.6 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | 81.6 | 99.5 | 114.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 130 | E | 30.6 | Very low | 35.3 | Very low | 201 Ų | 201 | 155.7 Ų | 155.7 | 94% | 0.939 | 82% | 0.822 | S | S | * | * | -179.8 | 143.9 | 114.4 | -99.3 | -167.4 | 163.5 | 0 | 0 | 111.1 | |||||
| 131 | R | 32.8 | Very low | 35.3 | Very low | 237 Ų | 237 | 151.4 Ų | 151.4 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | trans | -72.5 | 128.7 | -177.1 | -81.8 | 170.3 | 151.1 | -151.6 | -3.3 | 111.3 | ||||
| 132 | T | 33.8 | Very low | 35.6 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | trans | -153.3 | 138 | 137.6 | -19.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 133 | L | 36.9 | Very low | 35.9 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -87.6 | 150.9 | -158.2 | -65.9 | 159.2 | 0 | 0 | 0 | 113.5 | ||||
| 134 | L | 28.9 | Very low | 36 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | 132.1 | 152.4 | 141.3 | -70.6 | 168.2 | 0 | 0 | 0 | 113.6 | ||||
| 135 | P | 35 | Very low | 36.4 | Very low | 108 Ų | 108 | 154 Ų | 154 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -115.3 | 148 | -24.8 | 21.2 | -0.5 | 0 | 0 | 0 | 112.5 | S137 | P135-S137 PolarHBondContact O-N 2.85Å; P135-S137 VanDerWaalsContact O-N 3.17Å | ||
| 136 | Q | 45.1 | Very low | 36.6 | Very low | 203 Ų | 203 | 148.7 Ų | 148.7 | 95% | 0.949 | 79% | 0.793 | S | S | * | * | trans | -58.9 | 115.1 | 172.4 | -84 | 175.7 | -55.7 | 0 | 0 | 110.7 | ||||
| 137 | S | 37.2 | Very low | 37.1 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -108.9 | 112.3 | 160.6 | -70.1 | 0 | 0 | 0 | 0 | 108 | P135 A139 | P135-S137 PolarHBondContact O-N 2.85Å; P135-S137 VanDerWaalsContact O-N 3.17Å; S137-A139 PolarHBondContact O-N 2.85Å | ||
| 138 | D | 42.5 | Very low | 37.2 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -81.6 | 65.4 | -172.2 | -146.9 | 0.7 | 0 | 0 | 0 | 110.9 | ||||
| 139 | A | 40.9 | Very low | 37.8 | Very low | 73 Ų | 73 | 152.2 Ų | 152.2 | 60% | 0.603 | 80% | 0.801 | S | S | * | * | trans | -116.5 | 94.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S137 V141 | S137-A139 PolarHBondContact O-N 2.85Å; A139-V141 HydrophobicContact CB-CG2 4.23Å; A139-V141 PolarHBondContact O-N 3.35Å | ||
| 140 | Q | 47 | Very low | 38 | Very low | 186 Ų | 186 | 158 Ų | 158 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -67.2 | 76.4 | 166 | -71.5 | -109.7 | -5 | 0 | 0 | 109.1 | ||||
| 141 | V | 41.1 | Very low | 38.3 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 66% | 0.655 | 79% | 0.794 | S | S | * | * | trans | -99 | 113.4 | 165.6 | -168.1 | 0 | 0 | 0 | 0 | 106.7 | A139 R143 | A139-V141 HydrophobicContact CB-CG2 4.23Å; A139-V141 PolarHBondContact O-N 3.35Å; V141-R143 PolarHBondContact O-N 3.43Å | ||
| 142 | P | 42.4 | Very low | 38.4 | Very low | 85 Ų | 85 | 147.5 Ų | 147.5 | 55% | 0.552 | 80% | 0.797 | S | S | * | * | trans | -57.5 | 110.4 | 176.9 | -24.7 | 34.5 | 0 | 0 | 0 | 110 | Y144 | P142-Y144 HydrophobicContact CB-CD2 4.22Å; P142-Y144 HydrophobicContact CB-CE2 3.65Å; P142-Y144 WeakPolarHBondContact O-CD2 3.31Å; P142-Y144 PolarHBondContact O-N 3.47Å | ||
| 143 | R | 50.5 | Low | 38.4 | Very low | 239 Ų | 239 | 143.8 Ų | 143.8 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -79.7 | 97.2 | 171.1 | -67.4 | -172.7 | -177.7 | -170.9 | 1.4 | 107.2 | V141 T145 | V141-R143 PolarHBondContact O-N 3.43Å; R143-T145 PolarHBondContact O-N 2.71Å | ||
| 144 | Y | 36.6 | Very low | 38.7 | Very low | 209 Ų | 209 | 141.8 Ų | 141.8 | 82% | 0.82 | 79% | 0.793 | S | S | * | * | trans | -75.5 | 101.1 | 172.9 | -66.5 | -80.7 | 0 | 0 | 0 | 109.5 | P142 | P142-Y144 HydrophobicContact CB-CD2 4.22Å; P142-Y144 HydrophobicContact CB-CE2 3.65Å; P142-Y144 WeakPolarHBondContact O-CD2 3.31Å; P142-Y144 PolarHBondContact O-N 3.47Å | ||
| 145 | T | 38.3 | Very low | 39 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | -80.6 | 127.6 | 160.2 | 0.7 | 0 | 0 | 0 | 0 | 107.9 | R143 C147 | R143-T145 PolarHBondContact O-N 2.71Å; T145-C147 PolarHBondContact O-N 3.17Å | ||
| 146 | P | 32.3 | Very low | 39.5 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -70.5 | 103.3 | 175.2 | -6.8 | 21.8 | 0 | 0 | 0 | 108.5 | ||||
| 147 | C | 38.4 | Very low | 39.2 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -92.9 | 116.1 | 169.6 | 107.2 | 0 | 0 | 0 | 0 | 107.9 | T145 N149 | T145-C147 PolarHBondContact O-N 3.17Å; C147-N149 PolarHBondContact O-N 2.95Å | ||
| 148 | W | 33 | Very low | 39.8 | Very low | 234 Ų | 234 | 131.9 Ų | 131.9 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | trans | -86.4 | 104.4 | 171.9 | -70.7 | 85.8 | 0 | 0 | 0 | 107.6 | ||||
| 149 | N | 43.4 | Very low | 40.1 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 41 | 118.6 | 158.1 | -59.8 | -8.3 | 0 | 0 | 0 | 119.8 | C147 | C147-N149 PolarHBondContact O-N 2.95Š| ||
| 150 | Q | 32.1 | Very low | 40.6 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -146.7 | 124.3 | 139.7 | -160.6 | 119.5 | 57.7 | 0 | 0 | 109 | ||||
| 151 | G | 36.9 | Very low | 40.7 | Very low | 62 Ų | 62 | 130.1 Ų | 130.1 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | trans | -69.5 | 168.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 152 | T | 34.6 | Very low | 41.1 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 96% | 0.957 | 75% | 0.75 | S | S | * | * | trans | 97.1 | 119.1 | 167.9 | -29.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 153 | G | 34.4 | Very low | 41.2 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 122.5 | 88.9 | 147 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 154 | A | 42.2 | Very low | 40.8 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | trans | 41.5 | 109.6 | 137.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 155 | G | 35.9 | Very low | 41.4 | Very low | 78 Ų | 78 | 123.1 Ų | 123.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -177.7 | 98.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 156 | G | 44.9 | Very low | 41.5 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 157 | L | 39.5 | Very low | 41.6 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 137.1 | 172.9 | -165.4 | 76.1 | 0 | 0 | 0 | 109.2 | A161 | L157-A161 HydrophobicContact CD2-CB 3.96Š|
| 158 | P | 48.4 | Very low | 41.5 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 47% | 0.468 | 76% | 0.756 | S | S | . | * | P | Polyproline II helix | trans | -71.4 | 146.9 | -178 | 26.9 | -34.6 | 0 | 0 | 0 | 113.6 | Y160 A161 | P158-Y160 HydrophobicContact CB-CD1 4.09Å; P158-Y160 HydrophobicContact CB-CE1 4.19Å; P158-Y160 HydrophobicContact CG-CD1 4.05Å; P158-Y160 HydrophobicContact CG-CE1 3.67Å; P158-Y160 PolarHBondContact O-N 3.32Å; P158-A161 PolarHBondContact O-N 3.22Å |
| 159 | D | 49.2 | Very low | 41.6 | Very low | 145 Ų | 145 | 120.8 Ų | 120.8 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -60.4 | -13.2 | -165.3 | -132.3 | -0.7 | 0 | 0 | 0 | 116.5 | A161 T162 | D159-A161 VanDerWaalsContact C-N 3.3Å; D159-A161 PolarHBondContact O-N 2.95Å; D159-T162 PolarHBondContact O-OG1 3.32Å |
| 160 | Y | 51.7 | Low | 41.1 | Very low | 200 Ų | 200 | 118.9 Ų | 118.9 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -78 | -14.2 | -179.2 | 80.4 | -88.5 | 0 | 0 | 0 | 113.6 | P158 | P158-Y160 HydrophobicContact CB-CD1 4.09Å; P158-Y160 HydrophobicContact CB-CE1 4.19Å; P158-Y160 HydrophobicContact CG-CD1 4.05Å; P158-Y160 HydrophobicContact CG-CE1 3.67Å; P158-Y160 PolarHBondContact O-N 3.32Å |
| 161 | A | 48.1 | Very low | 41.4 | Very low | 38 Ų | 38 | 117.5 Ų | 117.5 | 31% | 0.314 | 74% | 0.741 | S | S | . | * | G | 310 helix | trans | -83.6 | -12.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L157 P158 D159 | L157-A161 HydrophobicContact CD2-CB 3.96Å; P158-A161 PolarHBondContact O-N 3.22Å; D159-A161 VanDerWaalsContact C-N 3.3Å; D159-A161 PolarHBondContact O-N 2.95Å |
| 162 | T | 49.8 | Very low | 41.1 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 61% | 0.613 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -74.7 | -25.2 | -173.2 | -47.9 | 0 | 0 | 0 | 0 | 113 | D159 | D159-T162 PolarHBondContact O-OG1 3.32Š|
| 163 | G | 44.1 | Very low | 41 | Very low | 60 Ų | 60 | 119 Ų | 119 | 62% | 0.619 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -89.7 | -5.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 164 | M | 41.9 | Very low | 40.7 | Very low | 170 Ų | 170 | 119.3 Ų | 119.3 | 84% | 0.837 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -91.8 | -1.8 | -176.3 | -86.8 | -170.9 | 62.8 | 0 | 0 | 114.7 | ||
| 165 | L | 50.6 | Low | 40.3 | Very low | 164 Ų | 164 | 121.7 Ų | 121.7 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -115 | 8.3 | -178.6 | -70.5 | 171.1 | 0 | 0 | 0 | 113.7 | ||
| 166 | E | 40.8 | Very low | 40.2 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -106.5 | 92.5 | -178.6 | -156.1 | 165.6 | -157.8 | 0 | 0 | 109.7 | ||||
| 167 | C | 34 | Very low | 39.8 | Very low | 127 Ų | 127 | 131 Ų | 131 | 86% | 0.858 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 118.4 | 169.4 | -70.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 168 | H | 35.8 | Very low | 39.4 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136.9 | 178.6 | -69.2 | -79.7 | 0 | 0 | 0 | 113 | ||
| 169 | S | 34.7 | Very low | 38.5 | Very low | 87 Ų | 87 | 131.9 Ų | 131.9 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 138.3 | 168.1 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | E171 | S169-E171 PolarHBondContact O-N 2.88Å; S169-E171 PolarHBondContact OG-OE1 3.39Å |
| 170 | A | 34.2 | Very low | 37.7 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -91.1 | 83.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 171 | E | 36.7 | Very low | 36.7 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -91.8 | 107.5 | 158.8 | -70 | 95.4 | -148 | 0 | 0 | 109.9 | S169 | S169-E171 PolarHBondContact O-N 2.88Å; S169-E171 PolarHBondContact OG-OE1 3.39Å | ||
| 172 | G | 31.4 | Very low | 36.1 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | 149.5 | 73 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 173 | L | 33.2 | Very low | 35.5 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 95% | 0.953 | 81% | 0.813 | S | S | * | * | trans | 172.8 | 96.6 | 134.7 | -90.4 | 165.5 | 0 | 0 | 0 | 108 | ||||
| 174 | G | 28.5 | Very low | 35.1 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -76.9 | 138.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 175 | L | 32.1 | Very low | 35.1 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | 161.9 | 99.1 | 110.8 | -152 | 76 | 0 | 0 | 0 | 109.1 | |||||
| 176 | L | 34.4 | Very low | 34.2 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | 161.2 | 122.3 | 127.6 | -84.5 | 169 | 0 | 0 | 0 | 110 | |||||
| 177 | E | 37.5 | Very low | 33.7 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -54.9 | 130.4 | 173.4 | -64 | 173.9 | 106.8 | 0 | 0 | 111.4 | ||||
| 178 | D | 31 | Very low | 33.6 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | 179.4 | 140.7 | 107.6 | -135 | -17.7 | 0 | 0 | 0 | 109.9 | |||||
| 179 | G | 29.8 | Very low | 33.3 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | 102.1 | 78.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 180 | Q | 31.5 | Very low | 33 | Very low | 208 Ų | 208 | 132 Ų | 132 | 97% | 0.972 | 83% | 0.832 | S | S | * | * | trans | -53.9 | 139.4 | 152.5 | -67.1 | 165.8 | -65.6 | 0 | 0 | 109.1 | ||||
| 181 | G | 29.7 | Very low | 32.8 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | cis | 178 | 106 | 1.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | G183 | G181-G183 PolarHBondContact O-N 3.04Š| ||
| 182 | L | 37.3 | Very low | 32.6 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 99% | 0.99 | 85% | 0.846 | S | S | * | * | trans | -95.9 | 75.5 | 176.1 | -147 | 114.1 | 0 | 0 | 0 | 107.7 | ||||
| 183 | G | 35.5 | Very low | 32.3 | Very low | 76 Ų | 76 | 143.3 Ų | 143.3 | 78% | 0.784 | 85% | 0.845 | S | S | * | * | trans | -165.2 | 83.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G181 | G181-G183 PolarHBondContact O-N 3.04Š| ||
| 184 | G | 36.2 | Very low | 32.3 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | trans | 161.4 | 23.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | W186 | G184-W186 PolarHBondContact O-N 3.35Å; G184-W186 VanDerWaalsContact O-N 3.16Å | ||
| 185 | L | 42 | Very low | 32.3 | Very low | 152 Ų | 152 | 146.2 Ų | 146.2 | 80% | 0.796 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -72.2 | 106.3 | 167 | -101.6 | 82 | 0 | 0 | 0 | 108.2 | ||
| 186 | W | 32.7 | Very low | 32.1 | Very low | 235 Ų | 235 | 144.2 Ų | 144.2 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | 97.7 | 75.1 | 156.6 | -49.4 | 2.8 | 0 | 0 | 0 | 115.7 | G184 | G184-W186 PolarHBondContact O-N 3.35Å; G184-W186 VanDerWaalsContact O-N 3.16Å | ||
| 187 | G | 29.7 | Very low | 31.7 | Very low | 82 Ų | 82 | 144.9 Ų | 144.9 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -86.1 | 110.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 188 | S | 31.2 | Very low | 31.2 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -53.6 | 143.5 | 175.3 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | G190 | S188-G190 PolarHBondContact O-N 3Š| ||
| 189 | T | 30.4 | Very low | 31.2 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -49.3 | 118.7 | 170.8 | 37.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 190 | G | 28.2 | Very low | 31 | Very low | 67 Ų | 67 | 143.5 Ų | 143.5 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | 84.1 | 114.8 | 121.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | S188 | S188-G190 PolarHBondContact O-N 3Š| |||
| 191 | R | 29 | Very low | 30.9 | Very low | 255 Ų | 255 | 139.2 Ų | 139.2 | 96% | 0.962 | 82% | 0.823 | S | S | * | * | -164.1 | 120.1 | 121.8 | -102.1 | 172.7 | -150.8 | -91.9 | 2.3 | 110.4 | |||||
| 192 | R | 32.6 | Very low | 30.7 | Very low | 257 Ų | 257 | 139.7 Ų | 139.7 | 97% | 0.97 | 83% | 0.828 | S | S | * | * | trans | -84.2 | 142.4 | 170 | -108.1 | -177 | -80.1 | -107 | -0.6 | 110.3 | ||||
| 193 | G | 26.9 | Very low | 30.3 | Very low | 66 Ų | 66 | 134.4 Ų | 134.4 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | 152.4 | 135.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 194 | L | 32.4 | Very low | 30.5 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 76% | 0.764 | 82% | 0.821 | S | S | * | * | cis | -170 | 150.1 | -10.7 | -125.8 | 144.5 | 0 | 0 | 0 | 103.7 | ||||
| 195 | H | 28.5 | Very low | 30.3 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | trans | 79.5 | 107.6 | 168.4 | -52.6 | -69 | 0 | 0 | 0 | 119.5 | ||||
| 196 | S | 28.2 | Very low | 30 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | -171.8 | 142 | 107.6 | -171.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 197 | H | 26.2 | Very low | 30.1 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -49.7 | 139.1 | 172.2 | -105.3 | -105.7 | 0 | 0 | 0 | 114.4 | ||||
| 198 | S | 26.9 | Very low | 30.5 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | 174.1 | 155.9 | 120.4 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 199 | Q | 30 | Very low | 30.9 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 76% | 0.757 | 82% | 0.82 | S | S | * | * | trans | -86.7 | 170.3 | -158.6 | -59.2 | 165.3 | 5 | 0 | 0 | 114.4 | ||||
| 200 | C | 25.9 | Very low | 31.4 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | 76.6 | 139.5 | 158.5 | -58.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 201 | S | 28.7 | Very low | 32.4 | Very low | 119 Ų | 119 | 148 Ų | 148 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | cis | -174.8 | 139.7 | 1.2 | -173.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 202 | G | 26.8 | Very low | 33.9 | Very low | 82 Ų | 82 | 141.2 Ų | 141.2 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | 66.2 | 128.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 203 | G | 27.8 | Very low | 35.4 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 138.5 | 96.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 115 | H205 | G203-H205 PolarHBondContact O-N 3.16Š| ||
| 204 | D | 39.8 | Very low | 38 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -49.9 | 117.7 | 171.7 | -73.2 | -48.8 | 0 | 0 | 0 | 113.6 | ||||
| 205 | H | 32.3 | Very low | 40.6 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | trans | -151.1 | 76.6 | 146.5 | -83.7 | -67.5 | 0 | 0 | 0 | 109.6 | G203 L207 | G203-H205 PolarHBondContact O-N 3.16Å; H205-L207 VanDerWaalsContact C-N 3.29Å; H205-L207 PolarHBondContact O-N 3.18Å | ||
| 206 | Q | 34.8 | Very low | 43.3 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -74.6 | 80.4 | 167.9 | -170.6 | 168.6 | 73.6 | 0 | 0 | 109 | L208 | Q206-L208 PolarHBondContact O-N 2.71Š| ||
| 207 | L | 36.7 | Very low | 46.1 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | trans | -88.2 | 94 | 169 | -82.7 | 166 | 0 | 0 | 0 | 109.3 | H205 H209 | H205-L207 VanDerWaalsContact C-N 3.29Å; H205-L207 PolarHBondContact O-N 3.18Å; L207-H209 PolarHBondContact O-N 2.87Å; L207-H209 VanDerWaalsContact O-N 3.1Å | ||
| 208 | L | 36.2 | Very low | 49 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 72% | 0.717 | 71% | 0.708 | S | S | * | * | trans | -48 | 103.2 | 172.8 | -71 | 140 | 0 | 0 | 0 | 111.8 | Q206 S210 | Q206-L208 PolarHBondContact O-N 2.71Å; L208-S210 PolarHBondContact O-N 3.43Å | ||
| 209 | H | 40.5 | Very low | 51.9 | Low | 199 Ų | 199 | 121.1 Ų | 121.1 | 92% | 0.921 | 68% | 0.684 | S | S | * | * | trans | -68.9 | 82.6 | 147.2 | -93.8 | -79.1 | 0 | 0 | 0 | 107.6 | L207 N211 | L207-H209 PolarHBondContact O-N 2.87Å; L207-H209 VanDerWaalsContact O-N 3.1Å; H209-N211 VanDerWaalsContact C-N 3.27Å; H209-N211 PolarHBondContact O-N 2.9Å | ||
| 210 | S | 41.2 | Very low | 54.7 | Low | 67 Ų | 67 | 119 Ų | 119 | 47% | 0.469 | 68% | 0.677 | S | S | . | * | trans | -76.4 | 79.3 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | L208 N212 | L208-S210 PolarHBondContact O-N 3.43Å; S210-N212 PolarHBondContact O-N 3.38Å; S210-N212 VanDerWaalsContact O-N 3.08Å; S210-N212 WeakPolarHBondContact OG-CB 3.45Å; S210-N212 PolarHBondContact OG-OD1 3.04Å | ||
| 211 | N | 49.3 | Very low | 57.8 | Low | 168 Ų | 168 | 121.5 Ų | 121.5 | 90% | 0.898 | 67% | 0.674 | S | S | * | * | trans | -74.4 | 75.9 | 145.9 | -90.8 | -6.9 | 0 | 0 | 0 | 106.7 | H209 G213 | H209-N211 VanDerWaalsContact C-N 3.27Å; H209-N211 PolarHBondContact O-N 2.9Å; N211-G213 PolarHBondContact O-N 3.3Å | ||
| 212 | N | 60.7 | Low | 60.9 | Low | 111 Ų | 111 | 118 Ų | 118 | 59% | 0.594 | 65% | 0.645 | S | S | * | * | trans | -75.6 | 65.1 | 170.7 | -94 | 31.8 | 0 | 0 | 0 | 109.3 | S210 H214 | S210-N212 PolarHBondContact O-N 3.38Å; S210-N212 VanDerWaalsContact O-N 3.08Å; S210-N212 WeakPolarHBondContact OG-CB 3.45Å; S210-N212 PolarHBondContact OG-OD1 3.04Å; N212-H214 PolarHBondContact O-N 2.94Å; N212-H214 VanDerWaalsContact O-N 3.08Å | ||
| 213 | G | 64.1 | Low | 64.1 | Low | 70 Ų | 70 | 116.6 Ų | 116.6 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | trans | -70.5 | 98.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | N211 S215 | N211-G213 PolarHBondContact O-N 3.3Å; G213-S215 PolarHBondContact O-N 2.67Å | ||
| 214 | H | 81.6 | Confident | 67.2 | Low | 52 Ų | 52 | 118.8 Ų | 118.8 | 24% | 0.241 | 62% | 0.62 | C | S | . | * | trans | -59.9 | 129.4 | 172.3 | -66.5 | -71.5 | 0 | 0 | 0 | 109.1 | N212 E218 L219 L230 | N212-H214 PolarHBondContact O-N 2.94Å; N212-H214 VanDerWaalsContact O-N 3.08Å; H214-E218 IonicContact CE1-OE1 3.69Å; H214-E218 IonicContact CG-OE1 3.96Å; H214-E218 IonicContact ND1-OE1 2.87Å; H214-E218 PolarHBondContact ND1-OE1 3.13Å; H214-E218 IonicContact ND1-OE2 3.93Å; H214-L219 HydrophobicContact CB-CD1 4.11Å; H214-L219 HydrophobicContact CB-CD2 3.91Å; H214-L219 HydrophobicContact CB-CG 3.72Å; H214-L230 WeakPolarHBondContact CD2-CD2 3.5Å; H214-L230 VanDerWaalsContact NE2-CD1 3.3Å; H214-L230 WeakPolarHBondContact NE2-CD1 3.49Å | ||
| 215 | S | 85.6 | Confident | 69.8 | Low | 58 Ų | 58 | 117.7 Ų | 117.7 | 41% | 0.406 | 61% | 0.614 | S | S | . | * | trans | -69.6 | 154.4 | 175.7 | 69.3 | 0 | 0 | 0 | 0 | 109.9 | G213 D217 E218 L219 | G213-S215 PolarHBondContact O-N 2.67Å; S215-D217 PolarHBondContact O-N 3.05Å; S215-E218 PolarHBondContact N-OE2 3.38Å; S215-E218 VanDerWaalsContact N-OE2 3.09Å; S215-E218 WeakPolarHBondContact O-CB 3.26Å; S215-E218 PolarHBondContact O-N 3.28Å; S215-E218 VanDerWaalsContact OG-CB 3.25Å; S215-E218 WeakPolarHBondContact OG-CB 3.4Å; S215-E218 PolarHBondContact OG-N 3.02Å; S215-E218 PolarHBondContact OG-OE2 2.92Å; S215-L219 PolarHBondContact O-N 3.38Å | ||
| 216 | R | 85.2 | Confident | 72.7 | Confident | 199 Ų | 199 | 113.9 Ų | 113.9 | 75% | 0.751 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -54.6 | -41 | 179 | -179.9 | 179.4 | 176.3 | 178.6 | -0.8 | 112.2 | E218 L219 I220 | R216-E218 VanDerWaalsContact C-N 3.27Å; R216-E218 PolarHBondContact O-N 3.43Å; R216-L219 PolarHBondContact O-N 2.93Å; R216-I220 HydrophobicContact CG-CD1 3.98Å; R216-I220 WeakPolarHBondContact O-CD1 3.39Å; R216-I220 VanDerWaalsContact O-CG1 3.26Å; R216-I220 WeakPolarHBondContact O-CG1 3.38Å; R216-I220 PolarHBondContact O-N 2.95Å; R216-I220 VanDerWaalsContact O-N 3.17Å |
| 217 | D | 88.4 | Confident | 75.4 | Confident | 109 Ų | 109 | 109.3 Ų | 109.3 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.7 | -23.6 | -179 | -61.2 | -34.6 | 0 | 0 | 0 | 112.7 | S215 K221 | S215-D217 PolarHBondContact O-N 3.05Å; D217-K221 WeakPolarHBondContact O-CD 3.45Å; D217-K221 VanDerWaalsContact O-CG 3.27Å; D217-K221 WeakPolarHBondContact O-CG 3.41Å |
| 218 | E | 86.8 | Confident | 78.1 | Confident | 85 Ų | 85 | 108.5 Ų | 108.5 | 40% | 0.397 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -77.6 | -45.7 | 175.6 | -172.9 | -175.5 | 166.5 | 0 | 0 | 110.6 | H214 S215 R216 I220 K221 M222 | H214-E218 IonicContact CE1-OE1 3.69Å; H214-E218 IonicContact CG-OE1 3.96Å; H214-E218 IonicContact ND1-OE1 2.87Å; H214-E218 PolarHBondContact ND1-OE1 3.13Å; H214-E218 IonicContact ND1-OE2 3.93Å; S215-E218 PolarHBondContact N-OE2 3.38Å; S215-E218 VanDerWaalsContact N-OE2 3.09Å; S215-E218 WeakPolarHBondContact O-CB 3.26Å; S215-E218 PolarHBondContact O-N 3.28Å; S215-E218 VanDerWaalsContact OG-CB 3.25Å; S215-E218 WeakPolarHBondContact OG-CB 3.4Å; S215-E218 PolarHBondContact OG-N 3.02Å; S215-E218 PolarHBondContact OG-OE2 2.92Å; R216-E218 VanDerWaalsContact C-N 3.27Å; R216-E218 PolarHBondContact O-N 3.43Å; E218-I220 VanDerWaalsContact C-N 3.27Å; E218-I220 PolarHBondContact O-N 2.63Å; E218-K221 PolarHBondContact O-N 3.12Å; E218-M222 WeakPolarHBondContact O-CG 3.22Å; E218-M222 PolarHBondContact O-N 3.2Å |
| 219 | L | 87.2 | Confident | 80.9 | Confident | 62 Ų | 62 | 107.9 Ų | 107.9 | 33% | 0.325 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.3 | -36.5 | 174.5 | -71.7 | 159.3 | 0 | 0 | 0 | 112.6 | H214 S215 R216 K221 M222 L227 L230 | H214-L219 HydrophobicContact CB-CD1 4.11Å; H214-L219 HydrophobicContact CB-CD2 3.91Å; H214-L219 HydrophobicContact CB-CG 3.72Å; S215-L219 PolarHBondContact O-N 3.38Å; R216-L219 PolarHBondContact O-N 2.93Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 3.34Å; L219-M222 HydrophobicContact CD2-SD 4.24Å; L219-M222 PolarHBondContact O-N 3.03Å; L219-L227 HydrophobicContact CD2-CD1 4.2Å; L219-L230 HydrophobicContact CD2-CD2 3.62Å |
| 220 | I | 88.6 | Confident | 83.4 | Confident | 117 Ų | 117 | 99.4 Ų | 99.4 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.9 | -27.2 | 178.3 | -69.3 | 166.4 | 0 | 0 | 0 | 112 | R216 E218 | R216-I220 HydrophobicContact CG-CD1 3.98Å; R216-I220 WeakPolarHBondContact O-CD1 3.39Å; R216-I220 VanDerWaalsContact O-CG1 3.26Å; R216-I220 WeakPolarHBondContact O-CG1 3.38Å; R216-I220 PolarHBondContact O-N 2.95Å; R216-I220 VanDerWaalsContact O-N 3.17Å; E218-I220 VanDerWaalsContact C-N 3.27Å; E218-I220 PolarHBondContact O-N 2.63Å |
| 221 | K | 92.3 | Very high | 85.9 | Confident | 177 Ų | 177 | 100.2 Ų | 100.2 | 77% | 0.77 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -86.2 | -17.4 | 179.7 | -71.9 | 172 | -173.1 | 175.9 | 0 | 113.2 | D217 E218 L219 | D217-K221 WeakPolarHBondContact O-CD 3.45Å; D217-K221 VanDerWaalsContact O-CG 3.27Å; D217-K221 WeakPolarHBondContact O-CG 3.41Å; E218-K221 PolarHBondContact O-N 3.12Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 3.34Å |
| 222 | M | 92.4 | Very high | 88 | Confident | 46 Ų | 46 | 93.7 Ų | 93.7 | 23% | 0.227 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -66.8 | 141.6 | 177.7 | -70.6 | 174.5 | 75.8 | 0 | 0 | 110.5 | E218 L219 E226 L227 L230 | E218-M222 WeakPolarHBondContact O-CG 3.22Å; E218-M222 PolarHBondContact O-N 3.2Å; L219-M222 HydrophobicContact CD2-SD 4.24Å; L219-M222 PolarHBondContact O-N 3.03Å; M222-E226 HydrophobicContact CB-CB 4.25Å; M222-E226 HydrophobicContact CE-CB 3.64Å; M222-L227 HydrophobicContact CB-CD1 4.26Å; M222-L230 HydrophobicContact CE-CB 4.21Å; M222-L230 HydrophobicContact CE-CD2 4.16Å; M222-L230 HydrophobicContact SD-CD2 4.26Å |
| 223 | S | 94.7 | Very high | 89.6 | Confident | 52 Ų | 52 | 93.3 Ų | 93.3 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | trans | -66.2 | 161.4 | 168.6 | 64.5 | 0 | 0 | 0 | 0 | 110.9 | D225 E226 L227 | S223-D225 PolarHBondContact O-N 3.44Å; S223-E226 WeakPolarHBondContact CB-OE2 3.44Å; S223-E226 PolarHBondContact N-OE2 3.35Å; S223-E226 PolarHBondContact O-N 2.97Å; S223-E226 WeakPolarHBondContact OG-CG 3.22Å; S223-E226 PolarHBondContact OG-N 3.5Å; S223-E226 PolarHBondContact OG-OE2 3.37Å; S223-L227 PolarHBondContact O-N 3.29Å | ||
| 224 | V | 93.4 | Very high | 91.1 | Very high | 123 Ų | 123 | 93.9 Ų | 93.9 | 75% | 0.745 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.6 | -37.7 | 178.9 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | L227 H228 | V224-L227 PolarHBondContact O-N 3.28Å; V224-H228 WeakPolarHBondContact O-CB 3.31Å; V224-H228 PolarHBondContact O-N 2.89Å |
| 225 | D | 93.9 | Very high | 91.8 | Very high | 132 Ų | 132 | 96.2 Ų | 96.2 | 71% | 0.706 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.6 | -42.4 | -179.4 | -63 | -35.6 | 0 | 0 | 0 | 111.9 | S223 L227 H228 Q229 | S223-D225 PolarHBondContact O-N 3.44Å; D225-L227 VanDerWaalsContact C-N 3.32Å; D225-L227 PolarHBondContact O-N 3.22Å; D225-H228 PolarHBondContact O-N 3.47Å; D225-Q229 PolarHBondContact O-N 2.87Å |
| 226 | E | 92.5 | Very high | 92.3 | Very high | 95 Ų | 95 | 98.9 Ų | 98.9 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 174.8 | -69.3 | 166.1 | 137.8 | 0 | 0 | 111.4 | M222 S223 H228 Q229 L230 | M222-E226 HydrophobicContact CB-CB 4.25Å; M222-E226 HydrophobicContact CE-CB 3.64Å; S223-E226 WeakPolarHBondContact CB-OE2 3.44Å; S223-E226 PolarHBondContact N-OE2 3.35Å; S223-E226 PolarHBondContact O-N 2.97Å; S223-E226 WeakPolarHBondContact OG-CG 3.22Å; S223-E226 PolarHBondContact OG-N 3.5Å; S223-E226 PolarHBondContact OG-OE2 3.37Å; E226-H228 VanDerWaalsContact C-N 3.32Å; E226-Q229 PolarHBondContact O-N 2.99Å; E226-L230 WeakPolarHBondContact O-CB 3.45Å; E226-L230 PolarHBondContact O-N 2.9Å |
| 227 | L | 92.2 | Very high | 92.7 | Very high | 79 Ų | 79 | 95.6 Ų | 95.6 | 41% | 0.414 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 175.7 | -149.8 | 98.9 | 0 | 0 | 0 | 111.2 | L219 M222 S223 V224 D225 L230 N231 | L219-L227 HydrophobicContact CD2-CD1 4.2Å; M222-L227 HydrophobicContact CB-CD1 4.26Å; S223-L227 PolarHBondContact O-N 3.29Å; V224-L227 PolarHBondContact O-N 3.28Å; D225-L227 VanDerWaalsContact C-N 3.32Å; D225-L227 PolarHBondContact O-N 3.22Å; L227-L230 PolarHBondContact O-N 3.47Å; L227-N231 WeakPolarHBondContact O-CB 3.45Å; L227-N231 PolarHBondContact O-N 3.02Å |
| 228 | H | 93.3 | Very high | 93 | Very high | 140 Ų | 140 | 94.7 Ų | 94.7 | 65% | 0.648 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.3 | -39.9 | 175.9 | -164.1 | -73.8 | 0 | 0 | 0 | 111.6 | V224 D225 E226 N231 G232 | V224-H228 WeakPolarHBondContact O-CB 3.31Å; V224-H228 PolarHBondContact O-N 2.89Å; D225-H228 PolarHBondContact O-N 3.47Å; E226-H228 VanDerWaalsContact C-N 3.32Å; H228-N231 PolarHBondContact O-N 3.24Å; H228-G232 PolarHBondContact O-N 3.31Å |
| 229 | Q | 94.7 | Very high | 93.5 | Very high | 124 Ų | 124 | 96.6 Ų | 96.6 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 174.4 | -174.6 | 179.2 | 5.9 | 0 | 0 | 111.7 | D225 E226 N231 G232 Q233 | D225-Q229 PolarHBondContact O-N 2.87Å; E226-Q229 PolarHBondContact O-N 2.99Å; Q229-N231 VanDerWaalsContact C-N 3.34Å; Q229-N231 PolarHBondContact O-N 3.28Å; Q229-G232 PolarHBondContact O-N 3.43Å; Q229-Q233 PolarHBondContact O-N 3.21Å |
| 230 | L | 93.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 100.1 Ų | 100.1 | 11% | 0.11 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 176 | 177.9 | 62.1 | 0 | 0 | 0 | 111.5 | H214 L219 M222 E226 L227 G232 Q233 L234 | H214-L230 WeakPolarHBondContact CD2-CD2 3.5Å; H214-L230 VanDerWaalsContact NE2-CD1 3.3Å; H214-L230 WeakPolarHBondContact NE2-CD1 3.49Å; L219-L230 HydrophobicContact CD2-CD2 3.62Å; M222-L230 HydrophobicContact CE-CB 4.21Å; M222-L230 HydrophobicContact CE-CD2 4.16Å; M222-L230 HydrophobicContact SD-CD2 4.26Å; E226-L230 WeakPolarHBondContact O-CB 3.45Å; E226-L230 PolarHBondContact O-N 2.9Å; L227-L230 PolarHBondContact O-N 3.47Å; L230-G232 VanDerWaalsContact C-N 3.31Å; L230-G232 PolarHBondContact O-N 2.84Å; L230-Q233 PolarHBondContact O-N 3.26Å; L230-L234 HydrophobicContact CG-CD1 4.18Å; L230-L234 WeakPolarHBondContact O-CG 3.27Å; L230-L234 PolarHBondContact O-N 2.97Å |
| 231 | N | 93.1 | Very high | 94.3 | Very high | 85 Ų | 85 | 98.8 Ų | 98.8 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 175.4 | -172.5 | 53.2 | 0 | 0 | 0 | 111.8 | L227 H228 Q229 Q233 L234 L235 | L227-N231 WeakPolarHBondContact O-CB 3.45Å; L227-N231 PolarHBondContact O-N 3.02Å; H228-N231 PolarHBondContact O-N 3.24Å; Q229-N231 VanDerWaalsContact C-N 3.34Å; Q229-N231 PolarHBondContact O-N 3.28Å; N231-Q233 PolarHBondContact O-N 2.93Å; N231-L234 PolarHBondContact O-N 3.32Å; N231-L235 WeakPolarHBondContact O-CG 3.35Å; N231-L235 PolarHBondContact O-N 3.26Å |
| 232 | G | 94.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 96.3 Ų | 96.3 | 31% | 0.309 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H228 Q229 L230 L235 L236 | H228-G232 PolarHBondContact O-N 3.31Å; Q229-G232 PolarHBondContact O-N 3.43Å; L230-G232 VanDerWaalsContact C-N 3.31Å; L230-G232 PolarHBondContact O-N 2.84Å; G232-L235 PolarHBondContact O-N 3.43Å; G232-L236 WeakPolarHBondContact O-CG 3.45Å; G232-L236 PolarHBondContact O-N 3.41Å; G232-L236 VanDerWaalsContact O-N 3.12Å |
| 233 | Q | 94.6 | Very high | 94.8 | Very high | 104 Ų | 104 | 99.8 Ų | 99.8 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 176.2 | -70.7 | 177.8 | 8 | 0 | 0 | 112.3 | Q229 L230 N231 L235 L236 Q237 | Q229-Q233 PolarHBondContact O-N 3.21Å; L230-Q233 PolarHBondContact O-N 3.26Å; N231-Q233 PolarHBondContact O-N 2.93Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 3.31Å; Q233-L236 PolarHBondContact O-N 3.4Å; Q233-Q237 WeakPolarHBondContact O-CG 3.3Å; Q233-Q237 PolarHBondContact O-N 3.16Å |
| 234 | L | 94.8 | Very high | 95 | Very high | 81 Ų | 81 | 102.3 Ų | 102.3 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.4 | -75.3 | 166.4 | 0 | 0 | 0 | 111.3 | L230 N231 L236 Q237 I238 | L230-L234 HydrophobicContact CG-CD1 4.18Å; L230-L234 WeakPolarHBondContact O-CG 3.27Å; L230-L234 PolarHBondContact O-N 2.97Å; N231-L234 PolarHBondContact O-N 3.32Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 3.09Å; L234-Q237 PolarHBondContact O-N 3.38Å; L234-I238 WeakPolarHBondContact O-CB 3.36Å; L234-I238 WeakPolarHBondContact O-CG1 3.46Å; L234-I238 PolarHBondContact O-N 3.43Å |
| 235 | L | 96.1 | Very high | 95.2 | Very high | 101 Ų | 101 | 101.1 Ų | 101.1 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 176 | -74.2 | 170.6 | 0 | 0 | 0 | 112.2 | N231 G232 Q233 I238 Q239 | N231-L235 WeakPolarHBondContact O-CG 3.35Å; N231-L235 PolarHBondContact O-N 3.26Å; G232-L235 PolarHBondContact O-N 3.43Å; Q233-L235 VanDerWaalsContact C-N 3.33Å; Q233-L235 PolarHBondContact O-N 3.31Å; L235-I238 PolarHBondContact O-N 3.49Å; L235-Q239 WeakPolarHBondContact O-CB 3.43Å; L235-Q239 PolarHBondContact O-N 2.95Å |
| 236 | L | 95.8 | Very high | 95.4 | Very high | 114 Ų | 114 | 97.8 Ų | 97.8 | 60% | 0.597 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 176.1 | -71.6 | 171.9 | 0 | 0 | 0 | 112.3 | G232 Q233 L234 Q239 K240 | G232-L236 WeakPolarHBondContact O-CG 3.45Å; G232-L236 PolarHBondContact O-N 3.41Å; G232-L236 VanDerWaalsContact O-N 3.12Å; Q233-L236 PolarHBondContact O-N 3.4Å; L234-L236 VanDerWaalsContact C-N 3.34Å; L234-L236 PolarHBondContact O-N 3.09Å; L236-Q239 PolarHBondContact O-N 2.86Å; L236-K240 WeakPolarHBondContact O-CB 3.45Å; L236-K240 PolarHBondContact O-N 3.42Å |
| 237 | Q | 95 | Very high | 95.6 | Very high | 131 Ų | 131 | 96.9 Ų | 96.9 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 175.3 | -73.9 | -166.5 | -13.4 | 0 | 0 | 111.8 | Q233 L234 Q239 K240 V241 | Q233-Q237 WeakPolarHBondContact O-CG 3.3Å; Q233-Q237 PolarHBondContact O-N 3.16Å; L234-Q237 PolarHBondContact O-N 3.38Å; Q237-Q239 VanDerWaalsContact C-N 3.34Å; Q237-Q239 PolarHBondContact O-N 2.87Å; Q237-K240 PolarHBondContact O-N 2.87Å; Q237-V241 WeakPolarHBondContact O-CG2 3.49Å; Q237-V241 PolarHBondContact O-N 3.11Å |
| 238 | I | 94.9 | Very high | 95.8 | Very high | 89 Ų | 89 | 95.5 Ų | 95.5 | 46% | 0.456 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 175.5 | -71.9 | 166.3 | 0 | 0 | 0 | 109.7 | L234 L235 K240 V241 F242 | L234-I238 WeakPolarHBondContact O-CB 3.36Å; L234-I238 WeakPolarHBondContact O-CG1 3.46Å; L234-I238 PolarHBondContact O-N 3.43Å; L235-I238 PolarHBondContact O-N 3.49Å; I238-K240 VanDerWaalsContact C-N 3.33Å; I238-K240 PolarHBondContact O-N 3.26Å; I238-V241 PolarHBondContact O-N 2.92Å; I238-F242 HydrophobicContact CG2-CD2 3.55Å; I238-F242 HydrophobicContact CG2-CE2 3.51Å; I238-F242 VanDerWaalsContact O-CD2 3.23Å; I238-F242 WeakPolarHBondContact O-CD2 3.35Å; I238-F242 PolarHBondContact O-N 3.37Å |
| 239 | Q | 95.8 | Very high | 96 | Very high | 126 Ų | 126 | 92 Ų | 92 | 59% | 0.589 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59 | -44.7 | 178.2 | -175.4 | 176.7 | 3.7 | 0 | 0 | 111.8 | L235 L236 Q237 V241 F242 E243 | L235-Q239 WeakPolarHBondContact O-CB 3.43Å; L235-Q239 PolarHBondContact O-N 2.95Å; L236-Q239 PolarHBondContact O-N 2.86Å; Q237-Q239 VanDerWaalsContact C-N 3.34Å; Q237-Q239 PolarHBondContact O-N 2.87Å; Q239-V241 PolarHBondContact O-N 3.17Å; Q239-F242 PolarHBondContact O-N 2.97Å; Q239-E243 PolarHBondContact O-N 2.91Å |
| 240 | K | 96.3 | Very high | 96.1 | Very high | 135 Ų | 135 | 92 Ų | 92 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 177.3 | -177.8 | 179.3 | 173.4 | -177.3 | 0 | 111.9 | L236 Q237 I238 F242 E243 E244 | L236-K240 WeakPolarHBondContact O-CB 3.45Å; L236-K240 PolarHBondContact O-N 3.42Å; Q237-K240 PolarHBondContact O-N 2.87Å; I238-K240 VanDerWaalsContact C-N 3.33Å; I238-K240 PolarHBondContact O-N 3.26Å; K240-F242 VanDerWaalsContact C-N 3.32Å; K240-F242 PolarHBondContact O-N 3.25Å; K240-E243 PolarHBondContact O-N 2.94Å; K240-E244 WeakPolarHBondContact CE-OE1 3.49Å; K240-E244 IonicContact NZ-OE1 3.98Å; K240-E244 WeakPolarHBondContact O-CG 3.26Å; K240-E244 PolarHBondContact O-N 3.3Å |
| 241 | V | 97.4 | Very high | 96.3 | Very high | 89 Ų | 89 | 96.7 Ų | 96.7 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | Q237 I238 Q239 E244 L245 | Q237-V241 WeakPolarHBondContact O-CG2 3.49Å; Q237-V241 PolarHBondContact O-N 3.11Å; I238-V241 PolarHBondContact O-N 2.92Å; Q239-V241 PolarHBondContact O-N 3.17Å; V241-E244 PolarHBondContact O-N 2.87Å; V241-L245 VanDerWaalsContact O-CB 3.31Å; V241-L245 WeakPolarHBondContact O-CB 3.24Å; V241-L245 PolarHBondContact O-N 2.97Å |
| 242 | F | 97.6 | Very high | 96.5 | Very high | 126 Ų | 126 | 98 Ų | 98 | 55% | 0.553 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.5 | -38.2 | 175.6 | -87.6 | -68.6 | 0 | 0 | 0 | 112.8 | I238 Q239 K240 T246 | I238-F242 HydrophobicContact CG2-CD2 3.55Å; I238-F242 HydrophobicContact CG2-CE2 3.51Å; I238-F242 VanDerWaalsContact O-CD2 3.23Å; I238-F242 WeakPolarHBondContact O-CD2 3.35Å; I238-F242 PolarHBondContact O-N 3.37Å; Q239-F242 PolarHBondContact O-N 2.97Å; K240-F242 VanDerWaalsContact C-N 3.32Å; K240-F242 PolarHBondContact O-N 3.25Å; F242-T246 WeakPolarHBondContact O-CB 3.3Å; F242-T246 PolarHBondContact O-N 3.34Å; F242-T246 PolarHBondContact O-OG1 3.43Å |
| 243 | E | 97.9 | Very high | 96.6 | Very high | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -48.4 | 175.4 | -167.7 | 64.4 | -138 | 0 | 0 | 110.8 | Q239 K240 L245 T246 V247 | Q239-E243 PolarHBondContact O-N 2.91Å; K240-E243 PolarHBondContact O-N 2.94Å; E243-L245 VanDerWaalsContact C-N 3.33Å; E243-L245 PolarHBondContact O-N 3.32Å; E243-T246 WeakPolarHBondContact O-CB 3.18Å; E243-T246 PolarHBondContact O-N 3.43Å; E243-T246 VanDerWaalsContact O-N 3.1Å; E243-V247 WeakPolarHBondContact O-CG2 3.29Å; E243-V247 PolarHBondContact O-N 3.22Å |
| 244 | E | 97.5 | Very high | 96.7 | Very high | 106 Ų | 106 | 99.1 Ų | 99.1 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59 | -43.9 | 176.8 | -71.9 | 174 | -174.8 | 0 | 0 | 111.8 | K240 V241 T246 V247 A248 | K240-E244 WeakPolarHBondContact CE-OE1 3.49Å; K240-E244 IonicContact NZ-OE1 3.98Å; K240-E244 WeakPolarHBondContact O-CG 3.26Å; K240-E244 PolarHBondContact O-N 3.3Å; V241-E244 PolarHBondContact O-N 2.87Å; E244-T246 VanDerWaalsContact C-N 3.31Å; E244-T246 PolarHBondContact O-N 2.93Å; E244-V247 PolarHBondContact O-N 2.9Å; E244-A248 WeakPolarHBondContact O-CB 3.32Å; E244-A248 PolarHBondContact O-N 3.06Å |
| 245 | L | 97.6 | Very high | 96.8 | Very high | 97 Ų | 97 | 99.6 Ų | 99.6 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 176.3 | -176.4 | 62.3 | 0 | 0 | 0 | 111.8 | V241 E243 A248 V249 | V241-L245 VanDerWaalsContact O-CB 3.31Å; V241-L245 WeakPolarHBondContact O-CB 3.24Å; V241-L245 PolarHBondContact O-N 2.97Å; E243-L245 VanDerWaalsContact C-N 3.33Å; E243-L245 PolarHBondContact O-N 3.32Å; L245-A248 PolarHBondContact O-N 3.4Å; L245-V249 HydrophobicContact CD1-CG2 4.26Å; L245-V249 HydrophobicContact CG-CG2 4.4Å; L245-V249 WeakPolarHBondContact O-CB 3.48Å; L245-V249 VanDerWaalsContact O-CG2 3.26Å; L245-V249 WeakPolarHBondContact O-CG2 3.28Å; L245-V249 PolarHBondContact O-N 2.71Å |
| 246 | T | 97.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 97.2 Ų | 97.2 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 177.8 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | F242 E243 E244 V249 Q250 | F242-T246 WeakPolarHBondContact O-CB 3.3Å; F242-T246 PolarHBondContact O-N 3.34Å; F242-T246 PolarHBondContact O-OG1 3.43Å; E243-T246 WeakPolarHBondContact O-CB 3.18Å; E243-T246 PolarHBondContact O-N 3.43Å; E243-T246 VanDerWaalsContact O-N 3.1Å; E244-T246 VanDerWaalsContact C-N 3.31Å; E244-T246 PolarHBondContact O-N 2.93Å; T246-V249 PolarHBondContact O-N 3.37Å; T246-Q250 VanDerWaalsContact O-CG 3.28Å; T246-Q250 WeakPolarHBondContact O-CG 3.36Å; T246-Q250 PolarHBondContact O-N 3.44Å |
| 247 | V | 97.5 | Very high | 96.6 | Very high | 76 Ų | 76 | 95 Ų | 95 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 175.8 | 175 | 0 | 0 | 0 | 0 | 110.9 | E243 E244 V249 Q250 E251 | E243-V247 WeakPolarHBondContact O-CG2 3.29Å; E243-V247 PolarHBondContact O-N 3.22Å; E244-V247 PolarHBondContact O-N 2.9Å; V247-V249 VanDerWaalsContact C-N 3.33Å; V247-V249 PolarHBondContact O-N 3.34Å; V247-Q250 PolarHBondContact O-N 3.49Å; V247-E251 PolarHBondContact O-N 3.24Å |
| 248 | A | 96.1 | Very high | 96.7 | Very high | 51 Ų | 51 | 92.6 Ų | 92.6 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | E244 L245 K252 | E244-A248 WeakPolarHBondContact O-CB 3.32Å; E244-A248 PolarHBondContact O-N 3.06Å; L245-A248 PolarHBondContact O-N 3.4Å; A248-K252 WeakPolarHBondContact O-CB 3.35Å; A248-K252 PolarHBondContact O-N 3.2Å |
| 249 | V | 98.1 | Very high | 96.8 | Very high | 66 Ų | 66 | 94 Ų | 94 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 176.4 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | L245 T246 V247 K252 D253 | L245-V249 HydrophobicContact CD1-CG2 4.26Å; L245-V249 HydrophobicContact CG-CG2 4.4Å; L245-V249 WeakPolarHBondContact O-CB 3.48Å; L245-V249 VanDerWaalsContact O-CG2 3.26Å; L245-V249 WeakPolarHBondContact O-CG2 3.28Å; L245-V249 PolarHBondContact O-N 2.71Å; T246-V249 PolarHBondContact O-N 3.37Å; V247-V249 VanDerWaalsContact C-N 3.33Å; V247-V249 PolarHBondContact O-N 3.34Å; V249-K252 PolarHBondContact O-N 3.32Å; V249-D253 PolarHBondContact O-N 3.21Å |
| 250 | Q | 97.6 | Very high | 96.8 | Very high | 124 Ų | 124 | 93.2 Ų | 93.2 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | 176.7 | -72.8 | 173.2 | 3.1 | 0 | 0 | 111.9 | T246 V247 D253 S254 | T246-Q250 VanDerWaalsContact O-CG 3.28Å; T246-Q250 WeakPolarHBondContact O-CG 3.36Å; T246-Q250 PolarHBondContact O-N 3.44Å; V247-Q250 PolarHBondContact O-N 3.49Å; Q250-D253 PolarHBondContact O-N 3.35Å; Q250-S254 PolarHBondContact O-N 3.21Å |
| 251 | E | 96.7 | Very high | 96.9 | Very high | 119 Ų | 119 | 91.5 Ų | 91.5 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | 175.7 | -175.3 | 179.5 | -178.6 | 0 | 0 | 111.2 | V247 D253 S254 L255 | V247-E251 PolarHBondContact O-N 3.24Å; E251-D253 VanDerWaalsContact C-N 3.3Å; E251-D253 PolarHBondContact O-N 2.92Å; E251-S254 WeakPolarHBondContact O-CB 3.22Å; E251-S254 PolarHBondContact O-N 3Å; E251-L255 HydrophobicContact CG-CD1 4.12Å; E251-L255 HydrophobicContact CG-CG 4.45Å; E251-L255 WeakPolarHBondContact O-CG 3.47Å; E251-L255 PolarHBondContact O-N 3Å |
| 252 | K | 97.9 | Very high | 96.8 | Very high | 112 Ų | 112 | 94.8 Ų | 94.8 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 176.2 | -173.9 | -149.2 | 64.7 | 59.9 | 0 | 112 | A248 V249 A256 | A248-K252 WeakPolarHBondContact O-CB 3.35Å; A248-K252 PolarHBondContact O-N 3.2Å; V249-K252 PolarHBondContact O-N 3.32Å; K252-A256 VanDerWaalsContact O-CB 3.3Å; K252-A256 WeakPolarHBondContact O-CB 3.21Å; K252-A256 PolarHBondContact O-N 2.9Å |
| 253 | D | 96.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 93.1 Ų | 93.1 | 46% | 0.46 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.7 | -39.7 | 177.7 | -75.4 | -16.3 | 0 | 0 | 0 | 111.9 | V249 Q250 E251 A256 S257 | V249-D253 PolarHBondContact O-N 3.21Å; Q250-D253 PolarHBondContact O-N 3.35Å; E251-D253 VanDerWaalsContact C-N 3.3Å; E251-D253 PolarHBondContact O-N 2.92Å; D253-A256 PolarHBondContact O-N 2.91Å; D253-S257 PolarHBondContact O-N 3.32Å |
| 254 | S | 95.5 | Very high | 96.3 | Very high | 72 Ų | 72 | 90.8 Ų | 90.8 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.9 | -51.6 | 173.1 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | Q250 E251 A256 S257 E258 | Q250-S254 PolarHBondContact O-N 3.21Å; E251-S254 WeakPolarHBondContact O-CB 3.22Å; E251-S254 PolarHBondContact O-N 3Å; S254-A256 VanDerWaalsContact C-N 3.33Å; S254-A256 PolarHBondContact O-N 3.39Å; S254-S257 WeakPolarHBondContact O-CB 3.36Å; S254-S257 PolarHBondContact O-N 3.42Å; S254-S257 VanDerWaalsContact O-N 3.12Å; S254-S257 PolarHBondContact O-OG 3.16Å; S254-E258 PolarHBondContact O-N 3.24Å |
| 255 | L | 97.1 | Very high | 96 | Very high | 92 Ų | 92 | 88.1 Ų | 88.1 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 178.5 | -69.4 | 173.4 | 0 | 0 | 0 | 112.3 | E251 S257 E258 L259 | E251-L255 HydrophobicContact CG-CD1 4.12Å; E251-L255 HydrophobicContact CG-CG 4.45Å; E251-L255 WeakPolarHBondContact O-CG 3.47Å; E251-L255 PolarHBondContact O-N 3Å; L255-S257 VanDerWaalsContact C-N 3.3Å; L255-S257 PolarHBondContact O-N 2.84Å; L255-E258 PolarHBondContact O-N 3.43Å; L255-L259 WeakPolarHBondContact O-CB 3.46Å; L255-L259 PolarHBondContact O-N 3.06Å |
| 256 | A | 94.6 | Very high | 95.6 | Very high | 50 Ų | 50 | 87.6 Ų | 87.6 | 41% | 0.413 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K252 D253 S254 H260 | K252-A256 VanDerWaalsContact O-CB 3.3Å; K252-A256 WeakPolarHBondContact O-CB 3.21Å; K252-A256 PolarHBondContact O-N 2.9Å; D253-A256 PolarHBondContact O-N 2.91Å; S254-A256 VanDerWaalsContact C-N 3.33Å; S254-A256 PolarHBondContact O-N 3.39Å; A256-H260 WeakPolarHBondContact O-CB 3.24Å; A256-H260 PolarHBondContact O-N 3.45Å |
| 257 | S | 94.5 | Very high | 95.3 | Very high | 69 Ų | 69 | 88.3 Ų | 88.3 | 48% | 0.483 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 176.3 | 78.7 | 0 | 0 | 0 | 0 | 112.3 | D253 S254 L255 H260 V261 | D253-S257 PolarHBondContact O-N 3.32Å; S254-S257 WeakPolarHBondContact O-CB 3.36Å; S254-S257 PolarHBondContact O-N 3.42Å; S254-S257 VanDerWaalsContact O-N 3.12Å; S254-S257 PolarHBondContact O-OG 3.16Å; L255-S257 VanDerWaalsContact C-N 3.3Å; L255-S257 PolarHBondContact O-N 2.84Å; S257-H260 WeakPolarHBondContact O-CB 3.3Å; S257-H260 PolarHBondContact O-N 3.49Å; S257-V261 WeakPolarHBondContact O-CG2 3.25Å; S257-V261 PolarHBondContact O-N 2.86Å |
| 258 | E | 96.4 | Very high | 94.9 | Very high | 80 Ų | 80 | 88.9 Ų | 88.9 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 176.5 | -175.2 | -175.1 | 162.5 | 0 | 0 | 111.2 | S254 L255 H260 V261 R262 | S254-E258 PolarHBondContact O-N 3.24Å; L255-E258 PolarHBondContact O-N 3.43Å; E258-H260 VanDerWaalsContact C-N 3.28Å; E258-H260 PolarHBondContact O-N 3.32Å; E258-V261 PolarHBondContact O-N 3.14Å; E258-R262 WeakPolarHBondContact O-CG 3.29Å; E258-R262 PolarHBondContact O-N 2.88Å; E258-R262 IonicContact OE1-CZ 3.22Å; E258-R262 IonicContact OE1-NE 2.63Å; E258-R262 PolarHBondContact OE1-NE 3.26Å; E258-R262 IonicContact OE1-NH1 3.2Å; E258-R262 IonicContact OE1-NH2 3.01Å; E258-R262 PolarHBondContact OE1-NH2 3.41Å |
| 259 | L | 97.1 | Very high | 94.4 | Very high | 118 Ų | 118 | 91.3 Ų | 91.3 | 62% | 0.618 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.2 | -44 | 176.6 | -168.6 | 163.8 | 0 | 0 | 0 | 110.5 | L255 V261 R262 H263 | L255-L259 WeakPolarHBondContact O-CB 3.46Å; L255-L259 PolarHBondContact O-N 3.06Å; L259-V261 PolarHBondContact O-N 3.3Å; L259-R262 PolarHBondContact O-N 3.44Å; L259-H263 WeakPolarHBondContact O-CB 3.35Å; L259-H263 PolarHBondContact O-N 3.38Å |
| 260 | H | 95.8 | Very high | 93.7 | Very high | 110 Ų | 110 | 95.5 Ų | 95.5 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 178 | -174.7 | 59.7 | 0 | 0 | 0 | 112.5 | A256 S257 E258 H263 I264 | A256-H260 WeakPolarHBondContact O-CB 3.24Å; A256-H260 PolarHBondContact O-N 3.45Å; S257-H260 WeakPolarHBondContact O-CB 3.3Å; S257-H260 PolarHBondContact O-N 3.49Å; E258-H260 VanDerWaalsContact C-N 3.28Å; E258-H260 PolarHBondContact O-N 3.32Å; H260-H263 WeakPolarHBondContact O-CB 3.42Å; H260-H263 PolarHBondContact O-N 3.34Å; H260-I264 WeakPolarHBondContact NE2-CD1 3.43Å; H260-I264 WeakPolarHBondContact O-CG1 3.32Å; H260-I264 PolarHBondContact O-N 3.12Å |
| 261 | V | 97.6 | Very high | 93.2 | Very high | 99 Ų | 99 | 95.6 Ų | 95.6 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.4 | -45.7 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 111 | S257 E258 L259 H263 I264 A265 | S257-V261 WeakPolarHBondContact O-CG2 3.25Å; S257-V261 PolarHBondContact O-N 2.86Å; E258-V261 PolarHBondContact O-N 3.14Å; L259-V261 PolarHBondContact O-N 3.3Å; V261-H263 VanDerWaalsContact C-N 3.32Å; V261-H263 PolarHBondContact O-N 3.01Å; V261-I264 PolarHBondContact O-N 3.33Å; V261-A265 PolarHBondContact O-N 3.2Å |
| 262 | R | 95.1 | Very high | 92.5 | Very high | 158 Ų | 158 | 92.5 Ų | 92.5 | 60% | 0.596 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 176.4 | -73 | -175.5 | 179.5 | -172.3 | 1.8 | 111.8 | E258 L259 A265 I266 | E258-R262 WeakPolarHBondContact O-CG 3.29Å; E258-R262 PolarHBondContact O-N 2.88Å; E258-R262 IonicContact OE1-CZ 3.22Å; E258-R262 IonicContact OE1-NE 2.63Å; E258-R262 PolarHBondContact OE1-NE 3.26Å; E258-R262 IonicContact OE1-NH1 3.2Å; E258-R262 IonicContact OE1-NH2 3.01Å; E258-R262 PolarHBondContact OE1-NH2 3.41Å; L259-R262 PolarHBondContact O-N 3.44Å; R262-A265 PolarHBondContact O-N 3.44Å; R262-I266 WeakPolarHBondContact O-CB 3.33Å; R262-I266 VanDerWaalsContact O-CG1 3.26Å; R262-I266 WeakPolarHBondContact O-CG1 3.31Å; R262-I266 PolarHBondContact O-N 3.47Å |
| 263 | H | 92.6 | Very high | 91.3 | Very high | 91 Ų | 91 | 89.7 Ų | 89.7 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 176.4 | 178.8 | 68.1 | 0 | 0 | 0 | 111.3 | L259 H260 V261 A265 I266 E267 | L259-H263 WeakPolarHBondContact O-CB 3.35Å; L259-H263 PolarHBondContact O-N 3.38Å; H260-H263 WeakPolarHBondContact O-CB 3.42Å; H260-H263 PolarHBondContact O-N 3.34Å; V261-H263 VanDerWaalsContact C-N 3.32Å; V261-H263 PolarHBondContact O-N 3.01Å; H263-A265 PolarHBondContact O-N 3.27Å; H263-I266 PolarHBondContact O-N 2.88Å; H263-E267 IonicContact CE1-OE1 3.88Å; H263-E267 IonicContact NE2-OE1 3.86Å; H263-E267 PolarHBondContact NE2-OE1 3.42Å; H263-E267 WeakPolarHBondContact O-CG 3.35Å; H263-E267 PolarHBondContact O-N 3.4Å |
| 264 | I | 93.4 | Very high | 89.9 | Confident | 68 Ų | 68 | 89.1 Ų | 89.1 | 35% | 0.349 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 175.3 | -67.8 | 173.4 | 0 | 0 | 0 | 110.8 | H260 V261 I266 E267 Q268 | H260-I264 WeakPolarHBondContact NE2-CD1 3.43Å; H260-I264 WeakPolarHBondContact O-CG1 3.32Å; H260-I264 PolarHBondContact O-N 3.12Å; V261-I264 PolarHBondContact O-N 3.33Å; I264-I266 VanDerWaalsContact C-N 3.31Å; I264-I266 PolarHBondContact O-N 2.86Å; I264-E267 WeakPolarHBondContact O-CB 3.42Å; I264-E267 PolarHBondContact O-N 2.66Å; I264-E267 VanDerWaalsContact O-N 3.16Å; I264-Q268 HydrophobicContact CG2-CG 4.2Å; I264-Q268 WeakPolarHBondContact O-CG 3.31Å; I264-Q268 PolarHBondContact O-N 2.78Å |
| 265 | A | 91.4 | Very high | 88.8 | Confident | 50 Ų | 50 | 93.3 Ų | 93.3 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V261 R262 H263 Q268 L269 | V261-A265 PolarHBondContact O-N 3.2Å; R262-A265 PolarHBondContact O-N 3.44Å; H263-A265 PolarHBondContact O-N 3.27Å; A265-Q268 PolarHBondContact O-N 2.93Å; A265-L269 WeakPolarHBondContact O-CG 3.36Å; A265-L269 PolarHBondContact O-N 2.91Å |
| 266 | I | 89.9 | Confident | 87.3 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 45% | 0.446 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 175.3 | -69.2 | 166.3 | 0 | 0 | 0 | 110.7 | R262 H263 I264 Q268 L269 F270 | R262-I266 WeakPolarHBondContact O-CB 3.33Å; R262-I266 VanDerWaalsContact O-CG1 3.26Å; R262-I266 WeakPolarHBondContact O-CG1 3.31Å; R262-I266 PolarHBondContact O-N 3.47Å; H263-I266 PolarHBondContact O-N 2.88Å; I264-I266 VanDerWaalsContact C-N 3.31Å; I264-I266 PolarHBondContact O-N 2.86Å; I266-Q268 VanDerWaalsContact C-N 3.28Å; I266-Q268 PolarHBondContact O-N 3.46Å; I266-L269 WeakPolarHBondContact O-CB 3.4Å; I266-L269 PolarHBondContact O-N 3.37Å; I266-F270 HydrophobicContact CG2-CD2 3.61Å; I266-F270 HydrophobicContact CG2-CE2 3.46Å; I266-F270 VanDerWaalsContact CG2-CE2 3.46Å; I266-F270 WeakPolarHBondContact O-CD2 3.47Å; I266-F270 PolarHBondContact O-N 3.04Å |
| 267 | E | 90.8 | Very high | 85.6 | Confident | 77 Ų | 77 | 93.2 Ų | 93.2 | 36% | 0.36 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 176.3 | -74.4 | -162.5 | 154.3 | 0 | 0 | 112.5 | H263 I264 F270 K271 | H263-E267 IonicContact CE1-OE1 3.88Å; H263-E267 IonicContact NE2-OE1 3.86Å; H263-E267 PolarHBondContact NE2-OE1 3.42Å; H263-E267 WeakPolarHBondContact O-CG 3.35Å; H263-E267 PolarHBondContact O-N 3.4Å; I264-E267 WeakPolarHBondContact O-CB 3.42Å; I264-E267 PolarHBondContact O-N 2.66Å; I264-E267 VanDerWaalsContact O-N 3.16Å; E267-F270 PolarHBondContact O-N 2.86Å; E267-K271 WeakPolarHBondContact O-CG 3.41Å; E267-K271 PolarHBondContact O-N 2.94Å; E267-K271 IonicContact OE2-NZ 3.85Å; E267-K271 PolarHBondContact OE2-NZ 3.04Å |
| 268 | Q | 88.8 | Confident | 84.1 | Confident | 87 Ų | 87 | 97.8 Ų | 97.8 | 41% | 0.407 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.6 | -37.3 | 177.7 | -66 | -55.8 | -28.1 | 0 | 0 | 111.8 | I264 A265 I266 F270 K271 N272 | I264-Q268 HydrophobicContact CG2-CG 4.2Å; I264-Q268 WeakPolarHBondContact O-CG 3.31Å; I264-Q268 PolarHBondContact O-N 2.78Å; A265-Q268 PolarHBondContact O-N 2.93Å; I266-Q268 VanDerWaalsContact C-N 3.28Å; I266-Q268 PolarHBondContact O-N 3.46Å; Q268-F270 VanDerWaalsContact C-N 3.34Å; Q268-K271 PolarHBondContact O-N 3.47Å; Q268-N272 WeakPolarHBondContact O-CB 3.41Å; Q268-N272 PolarHBondContact O-N 3.08Å; Q268-N272 PolarHBondContact O-ND2 3.22Å |
| 269 | L | 86.5 | Confident | 82.4 | Confident | 103 Ų | 103 | 98 Ų | 98 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 171.8 | -71.2 | 172.2 | 0 | 0 | 0 | 111.1 | A265 I266 N272 C273 | A265-L269 WeakPolarHBondContact O-CG 3.36Å; A265-L269 PolarHBondContact O-N 2.91Å; I266-L269 WeakPolarHBondContact O-CB 3.4Å; I266-L269 PolarHBondContact O-N 3.37Å; L269-N272 CarbonylContact O-C 3.5Å; L269-N272 PolarHBondContact O-N 3.49Å; L269-C273 WeakPolarHBondContact O-CA 3.45Å; L269-C273 WeakPolarHBondContact O-CB 3.28Å; L269-C273 PolarHBondContact O-N 3.17Å |
| 270 | F | 83.2 | Confident | 80.5 | Confident | 153 Ų | 153 | 97.5 Ų | 97.5 | 67% | 0.671 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.2 | -39.2 | 175.5 | -81.7 | -69.5 | 0 | 0 | 0 | 113.1 | I266 E267 Q268 N272 C273 | I266-F270 HydrophobicContact CG2-CD2 3.61Å; I266-F270 HydrophobicContact CG2-CE2 3.46Å; I266-F270 VanDerWaalsContact CG2-CE2 3.46Å; I266-F270 WeakPolarHBondContact O-CD2 3.47Å; I266-F270 PolarHBondContact O-N 3.04Å; E267-F270 PolarHBondContact O-N 2.86Å; Q268-F270 VanDerWaalsContact C-N 3.34Å; F270-N272 VanDerWaalsContact C-N 3.28Å; F270-N272 PolarHBondContact O-N 3.08Å; F270-C273 PolarHBondContact O-N 3.2Å; F270-C273 PolarHBondContact O-SG 3.34Å |
| 271 | K | 85.9 | Confident | 78.7 | Confident | 126 Ų | 126 | 98.1 Ų | 98.1 | 55% | 0.548 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -32.6 | 175.2 | -73.7 | 167.8 | -173.5 | 160.3 | 0 | 112.2 | E267 Q268 | E267-K271 WeakPolarHBondContact O-CG 3.41Å; E267-K271 PolarHBondContact O-N 2.94Å; E267-K271 IonicContact OE2-NZ 3.85Å; E267-K271 PolarHBondContact OE2-NZ 3.04Å; Q268-K271 PolarHBondContact O-N 3.47Å |
| 272 | N | 81.9 | Confident | 76.7 | Confident | 55 Ų | 55 | 99.2 Ų | 99.2 | 29% | 0.294 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -98.9 | 1.4 | -178.2 | -65.9 | -58.4 | 0 | 0 | 0 | 113.9 | Q268 L269 F270 A274 K275 L276 | Q268-N272 WeakPolarHBondContact O-CB 3.41Å; Q268-N272 PolarHBondContact O-N 3.08Å; Q268-N272 PolarHBondContact O-ND2 3.22Å; L269-N272 CarbonylContact O-C 3.5Å; L269-N272 PolarHBondContact O-N 3.49Å; F270-N272 VanDerWaalsContact C-N 3.28Å; F270-N272 PolarHBondContact O-N 3.08Å; N272-A274 PolarHBondContact O-N 3.37Å; N272-A274 VanDerWaalsContact O-N 3.16Å; N272-K275 WeakPolarHBondContact O-CA 3.25Å; N272-K275 WeakPolarHBondContact O-CB 3.3Å; N272-K275 PolarHBondContact O-N 3.12Å; N272-L276 PolarHBondContact O-N 3.01Å |
| 273 | C | 72.7 | Confident | 74.8 | Confident | 53 Ų | 53 | 102.8 Ų | 102.8 | 36% | 0.358 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -60.9 | -30.1 | -176.6 | 71.4 | 0 | 0 | 0 | 0 | 112.8 | L269 F270 K275 L276 L279 | L269-C273 WeakPolarHBondContact O-CA 3.45Å; L269-C273 WeakPolarHBondContact O-CB 3.28Å; L269-C273 PolarHBondContact O-N 3.17Å; F270-C273 PolarHBondContact O-N 3.2Å; F270-C273 PolarHBondContact O-SG 3.34Å; C273-K275 VanDerWaalsContact C-N 3.26Å; C273-K275 PolarHBondContact O-N 3.2Å; C273-L276 PolarHBondContact O-N 3.35Å; C273-L279 HydrophobicContact CB-CD1 4.39Å |
| 274 | A | 68.3 | Low | 72.7 | Confident | 74 Ų | 74 | 102.8 Ų | 102.8 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -70.6 | -20.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N272 Q280 | N272-A274 PolarHBondContact O-N 3.37Å; N272-A274 VanDerWaalsContact O-N 3.16Å; A274-Q280 PolarHBondContact O-NE2 2.99Å |
| 275 | K | 71.9 | Confident | 70.5 | Confident | 160 Ų | 160 | 102.8 Ų | 102.8 | 70% | 0.696 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -95.9 | -4.5 | 179.4 | -60.3 | 179.3 | -177.3 | 170.7 | 0 | 113 | N272 C273 P277 | N272-K275 WeakPolarHBondContact O-CA 3.25Å; N272-K275 WeakPolarHBondContact O-CB 3.3Å; N272-K275 PolarHBondContact O-N 3.12Å; C273-K275 VanDerWaalsContact C-N 3.26Å; C273-K275 PolarHBondContact O-N 3.2Å; K275-P277 WeakPolarHBondContact O-CD 3.38Å |
| 276 | L | 64.3 | Low | 68.3 | Low | 45 Ų | 45 | 106.4 Ų | 106.4 | 24% | 0.236 | 57% | 0.574 | C | S | . | * | trans | -102.6 | 100.3 | -179.2 | -68 | 171.6 | 0 | 0 | 0 | 109.2 | N272 C273 W278 L279 | N272-L276 PolarHBondContact O-N 3.01Å; C273-L276 PolarHBondContact O-N 3.35Å; L276-W278 HydrophobicContact CD1-CZ2 4.15Å; L276-W278 HydrophobicContact CD2-CZ2 4.46Å; L276-W278 PolarHBondContact O-N 2.87Å; L276-W278 VanDerWaalsContact O-N 3.14Å; L276-L279 HydrophobicContact CB-CB 4.45Å; L276-L279 HydrophobicContact CB-CD1 4.03Å; L276-L279 HydrophobicContact CB-CG 4.31Å; L276-L279 HydrophobicContact CD1-CD1 3.72Å; L276-L279 PolarHBondContact O-N 2.96Å; L276-L279 VanDerWaalsContact O-N 3.12Å | ||
| 277 | P | 60.5 | Low | 66.1 | Low | 95 Ų | 95 | 105.4 Ų | 105.4 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -60.4 | -29.5 | -171.9 | -22.4 | 33.4 | 0 | 0 | 0 | 113.4 | K275 Q280 | K275-P277 WeakPolarHBondContact O-CD 3.38Å; P277-Q280 PolarHBondContact O-N 2.92Å |
| 278 | W | 61.7 | Low | 63.7 | Low | 164 Ų | 164 | 108.5 Ų | 108.5 | 62% | 0.621 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -76.2 | -19.8 | -178.1 | 55.8 | -88.5 | 0 | 0 | 0 | 113.9 | L276 I281 | L276-W278 HydrophobicContact CD1-CZ2 4.15Å; L276-W278 HydrophobicContact CD2-CZ2 4.46Å; L276-W278 PolarHBondContact O-N 2.87Å; L276-W278 VanDerWaalsContact O-N 3.14Å; W278-I281 HydrophobicContact CB-CD1 4.3Å |
| 279 | L | 60.9 | Low | 61.3 | Low | 84 Ų | 84 | 113.9 Ų | 113.9 | 44% | 0.44 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -83.1 | -12.5 | 172 | -69.9 | 175.5 | 0 | 0 | 0 | 112.8 | C273 L276 | C273-L279 HydrophobicContact CB-CD1 4.39Å; L276-L279 HydrophobicContact CB-CB 4.45Å; L276-L279 HydrophobicContact CB-CD1 4.03Å; L276-L279 HydrophobicContact CB-CG 4.31Å; L276-L279 HydrophobicContact CD1-CD1 3.72Å; L276-L279 PolarHBondContact O-N 2.96Å; L276-L279 VanDerWaalsContact O-N 3.12Å |
| 280 | Q | 58.1 | Low | 58.8 | Low | 109 Ų | 109 | 114 Ų | 114 | 51% | 0.509 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -83.2 | -12.3 | 176.9 | -65.2 | -168 | -26.7 | 0 | 0 | 113.6 | A274 P277 S282 R283 | A274-Q280 PolarHBondContact O-NE2 2.99Å; P277-Q280 PolarHBondContact O-N 2.92Å; Q280-S282 PolarHBondContact O-N 2.84Å; Q280-R283 PolarHBondContact O-N 3.05Å; Q280-R283 VanDerWaalsContact O-N 3.08Å |
| 281 | I | 57.1 | Low | 56.6 | Low | 123 Ų | 123 | 111.5 Ų | 111.5 | 63% | 0.631 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -62.2 | -31.8 | -173.7 | -57.5 | 172.9 | 0 | 0 | 0 | 111.4 | W278 R283 | W278-I281 HydrophobicContact CB-CD1 4.3Å; I281-R283 VanDerWaalsContact C-N 3.31Å; I281-R283 PolarHBondContact O-N 3.17Å |
| 282 | S | 55.5 | Low | 54.5 | Low | 121 Ų | 121 | 110 Ų | 110 | 85% | 0.846 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -76.8 | -11.2 | 179.3 | -53.2 | 0 | 0 | 0 | 0 | 114.7 | Q280 | Q280-S282 PolarHBondContact O-N 2.84Š|
| 283 | R | 54.7 | Low | 52.3 | Low | 234 Ų | 234 | 115.4 Ų | 115.4 | 88% | 0.883 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -98.8 | -15.7 | -177.9 | -144.7 | 175.5 | -167.2 | 169.8 | 3.5 | 113.6 | Q280 I281 | Q280-R283 PolarHBondContact O-N 3.05Å; Q280-R283 VanDerWaalsContact O-N 3.08Å; I281-R283 VanDerWaalsContact C-N 3.31Å; I281-R283 PolarHBondContact O-N 3.17Å |
| 284 | A | 49.6 | Very low | 50.7 | Low | 90 Ų | 90 | 117.3 Ų | 117.3 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -92.4 | 5.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 285 | G | 46.8 | Very low | 49.5 | Very low | 68 Ų | 68 | 119.7 Ų | 119.7 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -95.7 | 1.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 286 | S | 44.8 | Very low | 48 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -114.6 | 79.3 | 176.4 | -166.3 | 0 | 0 | 0 | 0 | 110 | ||
| 287 | G | 43.5 | Very low | 46.5 | Very low | 66 Ų | 66 | 129.2 Ų | 129.2 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | trans | -179.9 | 36.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K289 | G287-K289 VanDerWaalsContact C-N 3.3Å; G287-K289 PolarHBondContact O-N 3Å | ||
| 288 | V | 41.1 | Very low | 45.8 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -74.4 | 92.6 | 165.7 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | A290 | V288-A290 PolarHBondContact O-N 3.17Å; V288-A290 VanDerWaalsContact O-N 3.17Å | ||
| 289 | K | 38 | Very low | 45 | Very low | 200 Ų | 200 | 129.2 Ų | 129.2 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | -57.9 | 109.7 | 160.6 | -99.7 | 177.5 | 169.6 | 177.7 | 0 | 107.8 | G287 S291 | G287-K289 VanDerWaalsContact C-N 3.3Å; G287-K289 PolarHBondContact O-N 3Å; K289-S291 PolarHBondContact O-N 2.99Å | ||
| 290 | A | 35.2 | Very low | 44.1 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -66.5 | 99.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V288 | V288-A290 PolarHBondContact O-N 3.17Å; V288-A290 VanDerWaalsContact O-N 3.17Å | ||
| 291 | S | 35.3 | Very low | 43.3 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | trans | -104 | 110.1 | 168.7 | -156.7 | 0 | 0 | 0 | 0 | 108.7 | K289 | K289-S291 PolarHBondContact O-N 2.99Š| ||
| 292 | S | 43 | Very low | 42.4 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 83% | 0.829 | S | S | * | * | trans | 22.7 | 115.9 | 144 | 60.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 293 | N | 34.5 | Very low | 41.6 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | trans | -128.6 | 117.6 | 145.3 | -86.6 | -17.6 | 0 | 0 | 0 | 108.8 | ||||
| 294 | A | 40.7 | Very low | 40.6 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -74.8 | 147.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 295 | P | 42.3 | Very low | 40 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | trans | -89.9 | 130.8 | 167.5 | 32.2 | -24.9 | 0 | 0 | 0 | 110.3 | ||||
| 296 | V | 39.7 | Very low | 39.4 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 84% | 0.842 | 84% | 0.841 | S | S | * | * | trans | -89.3 | 110.7 | 159.7 | 177.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 297 | E | 34.4 | Very low | 38.9 | Very low | 265 Ų | 265 | 136.2 Ų | 136.2 | 100% | 1.238 | 84% | 0.837 | S | S | * | * | trans | 159.8 | 0 | 138.3 | -89.7 | -168.7 | 138.3 | 0 | 0 | 110.3 |
Retrieved 297 of 297 residues in 45.8 ms
(Link to these results)