| 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 | 38.2 | Very low | 46.2 | Very low | 227 Ų | 227 | 134.6 Ų | 134.6 | 100% | 1.118 | 78% | 0.781 | S | S | * | * | 0 | 101.3 | 0 | -46.1 | -62.2 | 170.2 | 0 | 0 | 105.4 | |||||
| 2 | S | 49 | Very low | 48.2 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | -93.7 | 98.8 | -177.6 | -55.1 | 0 | 0 | 0 | 0 | 108 | G4 | S2-G4 PolarHBondContact O-N 3.26Š| ||
| 3 | E | 44.6 | Very low | 51 | Low | 190 Ų | 190 | 128.8 Ų | 128.8 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | -78.3 | 95.4 | 169.3 | -66.2 | 176.4 | 105.7 | 0 | 0 | 107 | E5 | E3-E5 PolarHBondContact O-N 3.49Š| ||
| 4 | G | 43.6 | Very low | 53.4 | Low | 72 Ų | 72 | 119.6 Ų | 119.6 | 74% | 0.742 | 69% | 0.691 | S | S | * | * | trans | -75.6 | 96.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | S2 S6 | S2-G4 PolarHBondContact O-N 3.26Å; G4-S6 PolarHBondContact O-N 3.38Å | ||
| 5 | E | 44.9 | Very low | 55.4 | Low | 195 Ų | 195 | 115 Ų | 115 | 91% | 0.911 | 67% | 0.667 | S | S | * | * | trans | -60.5 | 100.4 | 169.9 | -165.8 | 160.3 | 82.9 | 0 | 0 | 108.7 | E3 K7 | E3-E5 PolarHBondContact O-N 3.49Å; E5-K7 VanDerWaalsContact C-N 3.28Å; E5-K7 PolarHBondContact O-N 3.3Å | ||
| 6 | S | 43.8 | Very low | 57.2 | Low | 99 Ų | 99 | 112.4 Ų | 112.4 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | trans | -71.1 | 90.7 | 174.2 | 54.5 | 0 | 0 | 0 | 0 | 108 | G4 D8 | G4-S6 PolarHBondContact O-N 3.38Å; S6-D8 PolarHBondContact O-N 3.3Å | ||
| 7 | K | 48.4 | Very low | 58.7 | Low | 193 Ų | 193 | 109.1 Ų | 109.1 | 84% | 0.839 | 64% | 0.637 | S | S | * | * | trans | -32 | 104.1 | 166.9 | -173.5 | 166 | 179.8 | 170.3 | 0 | 109.5 | E5 S9 | E5-K7 VanDerWaalsContact C-N 3.28Å; E5-K7 PolarHBondContact O-N 3.3Å; K7-S9 VanDerWaalsContact C-N 3.35Å; K7-S9 PolarHBondContact O-N 3.16Å | ||
| 8 | D | 44.4 | Very low | 60.1 | Low | 143 Ų | 143 | 112.5 Ų | 112.5 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | trans | -52.8 | 101.9 | 178.9 | -74.7 | -60.5 | 0 | 0 | 0 | 108.3 | S6 S10 | S6-D8 PolarHBondContact O-N 3.3Å; D8-S10 VanDerWaalsContact C-N 3.3Å; D8-S10 PolarHBondContact O-N 3.48Å | ||
| 9 | S | 49.8 | Very low | 61.2 | Low | 76 Ų | 76 | 112.7 Ų | 112.7 | 53% | 0.531 | 63% | 0.634 | S | S | . | * | trans | -63.9 | 104.8 | 165.1 | 57.3 | 0 | 0 | 0 | 0 | 105 | K7 G11 K20 | K7-S9 VanDerWaalsContact C-N 3.35Å; K7-S9 PolarHBondContact O-N 3.16Å; S9-G11 PolarHBondContact O-N 3.48Å; S9-K20 PolarHBondContact O-NZ 2.75Å | ||
| 10 | S | 47.3 | Very low | 62.3 | Low | 128 Ų | 128 | 112.9 Ų | 112.9 | 90% | 0.895 | 63% | 0.627 | S | S | * | * | trans | -60.8 | 50.5 | 148.6 | 42.8 | 0 | 0 | 0 | 0 | 108.8 | D8 S12 | D8-S10 VanDerWaalsContact C-N 3.3Å; D8-S10 PolarHBondContact O-N 3.48Å; S10-S12 PolarHBondContact O-N 2.9Å | ||
| 11 | G | 54.7 | Low | 63 | Low | 30 Ų | 30 | 108.6 Ų | 108.6 | 31% | 0.309 | 60% | 0.602 | S | S | . | * | trans | -64.9 | 127.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 106 | S9 E13 | S9-G11 PolarHBondContact O-N 3.48Å; G11-E13 PolarHBondContact O-N 2.96Å | ||
| 12 | S | 70.1 | Confident | 64.4 | Low | 80 Ų | 80 | 106 Ų | 106 | 56% | 0.559 | 58% | 0.58 | S | S | * | * | trans | -40.7 | 117.2 | 175.4 | 39.3 | 0 | 0 | 0 | 0 | 109.7 | S10 F21 | S10-S12 PolarHBondContact O-N 2.9Å; S12-F21 VanDerWaalsContact CB-CD2 3.5Å; S12-F21 WeakPolarHBondContact O-CD2 3.39Å; S12-F21 WeakPolarHBondContact O-CE2 3.49Å; S12-F21 VanDerWaalsContact O-CG 3.3Å; S12-F21 WeakPolarHBondContact O-CG 3.35Å; S12-F21 PolarHBondContact O-N 3.48Å; S12-F21 WeakPolarHBondContact OG-CD2 3.49Å | ||
| 13 | E | 84.7 | Confident | 65 | Low | 113 Ų | 113 | 107.9 Ų | 107.9 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | B | Isolated β-bridge | trans | -102.7 | 153.9 | 179.8 | 65.5 | -176.4 | 178.3 | 0 | 0 | 109.9 | G11 P15 F21 | G11-E13 PolarHBondContact O-N 2.96Å; E13-P15 WeakPolarHBondContact O-CD 3.2Å; E13-F21 WeakPolarHBondContact O-CZ 3.23Å |
| 14 | C | 84.3 | Confident | 65.7 | Low | 0 Ų | 0 | 105 Ų | 105 | 0% | 0 | 57% | 0.57 | C | S | . | * | trans | -75.1 | 123.9 | 177.8 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | V16 C17 Y18 E19 F21 C38 C41 | C14-V16 PolarHBondContact O-N 3.36Å; C14-C17 WeakPolarHBondContact CB-SG 3.29Å; C14-C17 PolarHBondContact O-N 3.43Å; C14-Y18 WeakPolarHBondContact O-CA 3.22Å; C14-Y18 PolarHBondContact O-N 2.92Å; C14-E19 PolarHBondContact N-O 3.29Å; C14-F21 HydrophobicContact CB-CD1 4.44Å; C14-F21 HydrophobicContact CB-CE1 3.61Å; C14-F21 HydrophobicContact CB-CZ 4.06Å; C14-C38 HydrophobicContact CB-CB 4.03Å; C14-C38 PolarHBondContact SG-N 3.02Å; C14-C41 PolarHBondContact SG-SG 3.05Å | ||
| 15 | P | 82.7 | Confident | 66.4 | Low | 51 Ų | 51 | 111.1 Ų | 111.1 | 33% | 0.331 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.2 | -1.8 | 178.3 | 26.7 | -31.6 | 0 | 0 | 0 | 113.8 | E13 V36 F37 I63 | E13-P15 WeakPolarHBondContact O-CD 3.2Å; P15-V36 WeakPolarHBondContact CD-O 3.35Å; P15-F37 HydrophobicContact CG-CD1 3.9Å; P15-F37 HydrophobicContact CG-CE1 3.66Å; P15-F37 HydrophobicContact CG-CZ 4.5Å; P15-I63 HydrophobicContact CB-CD1 4.25Å; P15-I63 HydrophobicContact CG-CD1 3.65Å; P15-I63 HydrophobicContact CG-CG1 4.41Å |
| 16 | V | 84.3 | Confident | 67.2 | Low | 73 Ų | 73 | 104.3 Ų | 104.3 | 44% | 0.442 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.1 | -44.9 | 178.9 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | C14 F37 C41 | C14-V16 PolarHBondContact O-N 3.36Å; V16-F37 HydrophobicContact CG2-CD1 3.68Å; V16-F37 HydrophobicContact CG2-CE1 3.97Å; V16-C41 HydrophobicContact CB-CB 4.01Å; V16-C41 HydrophobicContact CG1-CB 3.95Å |
| 17 | C | 82.9 | Confident | 68.4 | Low | 56 Ų | 56 | 101.1 Ų | 101.1 | 38% | 0.378 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -3.4 | -178.7 | 68.6 | 0 | 0 | 0 | 0 | 114.1 | C14 E19 C41 | C14-C17 WeakPolarHBondContact CB-SG 3.29Å; C14-C17 PolarHBondContact O-N 3.43Å; C17-E19 PolarHBondContact O-N 3.31Å; C17-C41 PolarHBondContact SG-SG 2.95Å |
| 18 | Y | 83.7 | Confident | 70 | Confident | 171 Ų | 171 | 94.3 Ų | 94.3 | 67% | 0.671 | 52% | 0.517 | S | S | * | . | trans | 55 | 21.1 | -177.6 | -53.1 | -81.2 | 0 | 0 | 0 | 114.2 | C14 | C14-Y18 WeakPolarHBondContact O-CA 3.22Å; C14-Y18 PolarHBondContact O-N 2.92Å | ||
| 19 | E | 82.4 | Confident | 71.7 | Confident | 116 Ų | 116 | 93.3 Ų | 93.3 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 139.2 | 176.4 | -161.8 | 152.3 | 179.7 | 0 | 0 | 109.6 | C14 C17 F21 | C14-E19 PolarHBondContact N-O 3.29Å; C17-E19 PolarHBondContact O-N 3.31Å; E19-F21 PolarHBondContact O-N 2.93Å |
| 20 | K | 82 | Confident | 73.4 | Confident | 116 Ų | 116 | 94 Ų | 94 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | B | Isolated β-bridge | trans | -58.5 | 136.1 | 176.9 | -61.8 | -171 | 178.9 | -161.1 | 0 | 108.9 | S9 R22 | S9-K20 PolarHBondContact O-NZ 2.75Å; K20-R22 PolarHBondContact O-N 3.47Å |
| 21 | F | 77.5 | Confident | 75.1 | Confident | 23 Ų | 23 | 88.5 Ų | 88.5 | 10% | 0.101 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 118.9 | 170.4 | -60.7 | -50.6 | 0 | 0 | 0 | 107.5 | S12 E13 C14 E19 D23 V36 F37 C38 | S12-F21 VanDerWaalsContact CB-CD2 3.5Å; S12-F21 WeakPolarHBondContact O-CD2 3.39Å; S12-F21 WeakPolarHBondContact O-CE2 3.49Å; S12-F21 VanDerWaalsContact O-CG 3.3Å; S12-F21 WeakPolarHBondContact O-CG 3.35Å; S12-F21 PolarHBondContact O-N 3.48Å; S12-F21 WeakPolarHBondContact OG-CD2 3.49Å; E13-F21 WeakPolarHBondContact O-CZ 3.23Å; C14-F21 HydrophobicContact CB-CD1 4.44Å; C14-F21 HydrophobicContact CB-CE1 3.61Å; C14-F21 HydrophobicContact CB-CZ 4.06Å; E19-F21 PolarHBondContact O-N 2.93Å; F21-D23 PolarHBondContact O-N 3.33Å; F21-V36 HydrophobicContact CD2-CG1 4.19Å; F21-V36 HydrophobicContact CE1-CG1 4.34Å; F21-V36 HydrophobicContact CE2-CB 4.06Å; F21-V36 HydrophobicContact CE2-CG1 3.59Å; F21-V36 HydrophobicContact CZ-CB 4.13Å; F21-V36 HydrophobicContact CZ-CG1 3.67Å; F21-F37 VanDerWaalsContact CE1-C 3.47Å; F21-C38 HydrophobicContact CD1-CB 4.47Å; F21-C38 HydrophobicContact CE1-CB 4.24Å |
| 22 | R | 67.6 | Low | 76.2 | Confident | 174 Ų | 174 | 90.7 Ų | 90.7 | 66% | 0.657 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -62 | 135.5 | 171.9 | -61.2 | -155.5 | 173.7 | -139.6 | -2.4 | 107.1 | K20 L24 A27 | K20-R22 PolarHBondContact O-N 3.47Å; R22-L24 HydrophobicContact CB-CD1 4.48Å; R22-L24 PolarHBondContact O-N 3.29Å; R22-A27 HydrophobicContact CB-CB 4.48Å |
| 23 | D | 60.8 | Low | 76.8 | Confident | 167 Ų | 167 | 88.7 Ų | 88.7 | 89% | 0.893 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -62.7 | 10.2 | 179.4 | -55.6 | -56.6 | 0 | 0 | 0 | 113.8 | F21 E25 | F21-D23 PolarHBondContact O-N 3.33Å; D23-E25 PolarHBondContact O-N 3.25Å |
| 24 | L | 60.2 | Low | 76.5 | Confident | 128 Ų | 128 | 85.7 Ų | 85.7 | 67% | 0.67 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -73.1 | 107 | 169.6 | -72.4 | 163.6 | 0 | 0 | 0 | 108.5 | R22 G26 A27 | R22-L24 HydrophobicContact CB-CD1 4.48Å; R22-L24 PolarHBondContact O-N 3.29Å; L24-G26 PolarHBondContact O-N 3.49Å; L24-A27 PolarHBondContact O-N 3.38Å |
| 25 | E | 57.9 | Low | 76.6 | Confident | 202 Ų | 202 | 88.4 Ų | 88.4 | 94% | 0.944 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.9 | 89.8 | 171.2 | -144.5 | 96.2 | -179.1 | 0 | 0 | 111.3 | D23 | D23-E25 PolarHBondContact O-N 3.25Š|
| 26 | G | 61.7 | Low | 76.7 | Confident | 51 Ų | 51 | 88.2 Ų | 88.2 | 53% | 0.526 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 130.8 | -7.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | L24 S28 | L24-G26 PolarHBondContact O-N 3.49Å; G26-S28 VanDerWaalsContact C-N 3.32Å |
| 27 | A | 69.3 | Low | 76.8 | Confident | 32 Ų | 32 | 84.9 Ų | 84.9 | 26% | 0.264 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -74.1 | -23.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | R22 L24 C38 H39 | R22-A27 HydrophobicContact CB-CB 4.48Å; L24-A27 PolarHBondContact O-N 3.38Å; A27-C38 CarbonylContact O-C 3.57Å; A27-C38 WeakPolarHBondContact O-CA 3.29Å; A27-H39 PolarHBondContact O-N 3.13Å |
| 28 | S | 81.7 | Confident | 76.9 | Confident | 50 Ų | 50 | 83.1 Ų | 83.1 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 144.4 | 176.1 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | G26 F37 | G26-S28 VanDerWaalsContact C-N 3.32Å; S28-F37 CarbonylContact C-O 3.6Å; S28-F37 VanDerWaalsContact CA-O 3.31Å; S28-F37 WeakPolarHBondContact CA-O 3.35Å |
| 29 | R | 80.9 | Confident | 77 | Confident | 123 Ų | 123 | 77.8 Ų | 77.8 | 46% | 0.464 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.8 | 175.2 | -68.7 | -168.6 | -176.7 | -92 | -1.4 | 109.7 | F37 H39 L42 | R29-F37 PolarHBondContact N-O 3.29Å; R29-F37 PolarHBondContact O-N 3.46Å; R29-H39 PolarHBondContact NE-CD2 3.21Å; R29-H39 PolarHBondContact NE-NE2 2.88Å; R29-H39 PolarHBondContact NH2-CD2 2.85Å; R29-H39 PolarHBondContact NH2-NE2 3.33Å; R29-L42 HydrophobicContact CB-CD2 4.04Å |
| 30 | T | 84.6 | Confident | 77.2 | Confident | 90 Ų | 90 | 78 Ų | 78 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.9 | 176 | -47.5 | 0 | 0 | 0 | 0 | 110.2 | G34 H35 V36 | T30-G34 WeakPolarHBondContact CG2-O 3.29Å; T30-H35 CarbonylContact C-O 3.5Å; T30-H35 WeakPolarHBondContact CA-O 3.31Å; T30-V36 HydrophobicContact CG2-CG2 4.13Å |
| 31 | L | 83.3 | Confident | 77.4 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 6% | 0.063 | 41% | 0.405 | C | S | . | . | trans | -77.4 | 166 | 172.2 | -64.4 | -174 | 0 | 0 | 0 | 111.1 | C33 G34 H35 F37 L42 L59 C61 | L31-C33 PolarHBondContact O-N 2.92Å; L31-C33 VanDerWaalsContact O-N 3.08Å; L31-G34 PolarHBondContact O-N 3.17Å; L31-H35 PolarHBondContact N-O 3.44Å; L31-F37 HydrophobicContact CD1-CD2 3.92Å; L31-F37 HydrophobicContact CD1-CE2 3.44Å; L31-F37 VanDerWaalsContact CD1-CE2 3.44Å; L31-F37 HydrophobicContact CD1-CZ 4.33Å; L31-F37 HydrophobicContact CG-CD2 3.88Å; L31-F37 HydrophobicContact CG-CE2 3.8Å; L31-L42 HydrophobicContact CD2-CD1 3.91Å; L31-L42 HydrophobicContact CD2-CD2 4.17Å; L31-L59 HydrophobicContact CD2-CD1 3.9Å; L31-C61 HydrophobicContact CD1-CB 3.8Å | ||
| 32 | S | 78.5 | Confident | 77.8 | Confident | 77 Ų | 77 | 73 Ų | 73 | 54% | 0.538 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.9 | 178.2 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | G34 Y66 T68 | S32-G34 VanDerWaalsContact C-N 3.29Å; S32-Y66 WeakPolarHBondContact OG-CD1 3.38Å; S32-Y66 WeakPolarHBondContact OG-CE1 3.41Å; S32-T68 WeakPolarHBondContact OG-CB 3.38Å; S32-T68 WeakPolarHBondContact OG-CG2 3.38Å; S32-T68 PolarHBondContact OG-OG1 3.42Å |
| 33 | C | 80.9 | Confident | 78.5 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 1.6 | 173.2 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | L31 H35 C64 Y66 | L31-C33 PolarHBondContact O-N 2.92Å; L31-C33 VanDerWaalsContact O-N 3.08Å; C33-H35 VanDerWaalsContact C-N 3.34Å; C33-H35 PolarHBondContact SG-ND1 3.39Å; C33-C64 WeakPolarHBondContact CB-SG 3.42Å; C33-Y66 HydrophobicContact CB-CD1 3.93Å; C33-Y66 HydrophobicContact CB-CG 3.93Å |
| 34 | G | 79.1 | Confident | 79.7 | Confident | 50 Ų | 50 | 66.5 Ų | 66.5 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 87.1 | -5.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T30 L31 S32 | T30-G34 WeakPolarHBondContact CG2-O 3.29Å; L31-G34 PolarHBondContact O-N 3.17Å; S32-G34 VanDerWaalsContact C-N 3.29Å |
| 35 | H | 86.4 | Confident | 80.8 | Confident | 56 Ų | 56 | 64 Ų | 64 | 26% | 0.259 | 36% | 0.36 | S | S | . | . | trans | -78.8 | 139.7 | 177.9 | -66.5 | 111.9 | 0 | 0 | 0 | 112.9 | T30 L31 C33 F37 C61 I63 C64 | T30-H35 CarbonylContact C-O 3.5Å; T30-H35 WeakPolarHBondContact CA-O 3.31Å; L31-H35 PolarHBondContact N-O 3.44Å; C33-H35 VanDerWaalsContact C-N 3.34Å; C33-H35 PolarHBondContact SG-ND1 3.39Å; H35-F37 HydrophobicContact CB-CE2 3.55Å; H35-F37 HydrophobicContact CB-CZ 3.89Å; H35-C61 PolarHBondContact ND1-SG 3.03Å; H35-C61 VanDerWaalsContact ND1-SG 3.4Å; H35-I63 HydrophobicContact CB-CD1 3.87Å; H35-I63 WeakPolarHBondContact NE2-CG2 3.48Å; H35-C64 PolarHBondContact CE1-SG 3.34Å; H35-C64 PolarHBondContact ND1-SG 3.4Å | ||
| 36 | V | 84.9 | Confident | 81.9 | Confident | 47 Ų | 47 | 56 Ų | 56 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.7 | -175 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | P15 F21 T30 | P15-V36 WeakPolarHBondContact CD-O 3.35Å; F21-V36 HydrophobicContact CD2-CG1 4.19Å; F21-V36 HydrophobicContact CE1-CG1 4.34Å; F21-V36 HydrophobicContact CE2-CB 4.06Å; F21-V36 HydrophobicContact CE2-CG1 3.59Å; F21-V36 HydrophobicContact CZ-CB 4.13Å; F21-V36 HydrophobicContact CZ-CG1 3.67Å; T30-V36 HydrophobicContact CG2-CG2 4.13Å |
| 37 | F | 86.9 | Confident | 82.7 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 161.7 | 179.2 | -58.4 | -87.3 | 0 | 0 | 0 | 111.2 | P15 V16 F21 S28 R29 L31 H35 P62 I63 | P15-F37 HydrophobicContact CG-CD1 3.9Å; P15-F37 HydrophobicContact CG-CE1 3.66Å; P15-F37 HydrophobicContact CG-CZ 4.5Å; V16-F37 HydrophobicContact CG2-CD1 3.68Å; V16-F37 HydrophobicContact CG2-CE1 3.97Å; F21-F37 VanDerWaalsContact CE1-C 3.47Å; S28-F37 CarbonylContact C-O 3.6Å; S28-F37 VanDerWaalsContact CA-O 3.31Å; S28-F37 WeakPolarHBondContact CA-O 3.35Å; R29-F37 PolarHBondContact N-O 3.29Å; R29-F37 PolarHBondContact O-N 3.46Å; L31-F37 HydrophobicContact CD1-CD2 3.92Å; L31-F37 HydrophobicContact CD1-CE2 3.44Å; L31-F37 VanDerWaalsContact CD1-CE2 3.44Å; L31-F37 HydrophobicContact CD1-CZ 4.33Å; L31-F37 HydrophobicContact CG-CD2 3.88Å; L31-F37 HydrophobicContact CG-CE2 3.8Å; H35-F37 HydrophobicContact CB-CE2 3.55Å; H35-F37 HydrophobicContact CB-CZ 3.89Å; F37-P62 HydrophobicContact CE1-CB 4.46Å; F37-P62 HydrophobicContact CE1-CG 4.02Å; F37-P62 HydrophobicContact CZ-CG 4.3Å; F37-I63 HydrophobicContact CE1-CD1 3.9Å; F37-I63 HydrophobicContact CE1-CG1 4.15Å; F37-I63 HydrophobicContact CZ-CD1 3.57Å; F37-I63 HydrophobicContact CZ-CG1 3.87Å |
| 38 | C | 85.2 | Confident | 82.9 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 147.4 | 173.4 | 95.5 | 0 | 0 | 0 | 0 | 109.7 | C14 F21 A27 D40 C41 L42 | C14-C38 HydrophobicContact CB-CB 4.03Å; C14-C38 PolarHBondContact SG-N 3.02Å; F21-C38 HydrophobicContact CD1-CB 4.47Å; F21-C38 HydrophobicContact CE1-CB 4.24Å; A27-C38 CarbonylContact O-C 3.57Å; A27-C38 WeakPolarHBondContact O-CA 3.29Å; C38-D40 VanDerWaalsContact C-N 3.28Å; C38-D40 PolarHBondContact O-N 3.32Å; C38-C41 HydrophobicContact CB-CB 4.17Å; C38-C41 WeakPolarHBondContact CB-SG 3.31Å; C38-C41 WeakPolarHBondContact O-CB 3.49Å; C38-C41 PolarHBondContact O-N 2.91Å; C38-C41 WeakPolarHBondContact SG-CB 3.5Å; C38-C41 PolarHBondContact SG-N 3.36Å; C38-C41 CovalentContact SG-SG 2.07Å; C38-C41 PolarHBondContact SG-SG 3.43Å; C38-L42 PolarHBondContact O-N 3.49Å |
| 39 | H | 85.8 | Confident | 82.1 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -53.7 | -47.5 | 179.1 | -177.7 | -79.7 | 0 | 0 | 0 | 111.5 | A27 R29 C41 L42 V43 | A27-H39 PolarHBondContact O-N 3.13Å; R29-H39 PolarHBondContact NE-CD2 3.21Å; R29-H39 PolarHBondContact NE-NE2 2.88Å; R29-H39 PolarHBondContact NH2-CD2 2.85Å; R29-H39 PolarHBondContact NH2-NE2 3.33Å; H39-C41 PolarHBondContact O-N 2.82Å; H39-L42 PolarHBondContact O-N 2.94Å; H39-V43 VanDerWaalsContact CE1-CG2 3.42Å; H39-V43 WeakPolarHBondContact CE1-CG2 3.28Å; H39-V43 WeakPolarHBondContact O-CG2 3.31Å; H39-V43 PolarHBondContact O-N 3.45Å |
| 40 | D | 86.4 | Confident | 81.4 | Confident | 121 Ų | 121 | 60.2 Ų | 60.2 | 65% | 0.647 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.6 | -38.9 | -175.1 | -58.1 | -28.3 | 0 | 0 | 0 | 111.9 | C38 L42 V43 K44 | C38-D40 VanDerWaalsContact C-N 3.28Å; C38-D40 PolarHBondContact O-N 3.32Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 3.39Å; D40-V43 PolarHBondContact O-N 3.3Å; D40-K44 VanDerWaalsContact O-CB 3.25Å; D40-K44 WeakPolarHBondContact O-CB 3.31Å; D40-K44 PolarHBondContact O-N 2.89Å |
| 41 | C | 86.2 | Confident | 79.9 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 11% | 0.108 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 174.3 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | C14 V16 C17 C38 H39 Y45 | C14-C41 PolarHBondContact SG-SG 3.05Å; V16-C41 HydrophobicContact CB-CB 4.01Å; V16-C41 HydrophobicContact CG1-CB 3.95Å; C17-C41 PolarHBondContact SG-SG 2.95Å; C38-C41 HydrophobicContact CB-CB 4.17Å; C38-C41 WeakPolarHBondContact CB-SG 3.31Å; C38-C41 WeakPolarHBondContact O-CB 3.49Å; C38-C41 PolarHBondContact O-N 2.91Å; C38-C41 WeakPolarHBondContact SG-CB 3.5Å; C38-C41 PolarHBondContact SG-N 3.36Å; C38-C41 CovalentContact SG-SG 2.07Å; C38-C41 PolarHBondContact SG-SG 3.43Å; H39-C41 PolarHBondContact O-N 2.82Å; C41-Y45 VanDerWaalsContact O-CB 3.3Å; C41-Y45 WeakPolarHBondContact O-CB 3.47Å; C41-Y45 PolarHBondContact O-N 3.42Å |
| 42 | L | 84.8 | Confident | 78.6 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.8 | -41 | -178.5 | -165 | 68.2 | 0 | 0 | 0 | 112.2 | R29 L31 C38 H39 D40 Y45 L46 L59 | R29-L42 HydrophobicContact CB-CD2 4.04Å; L31-L42 HydrophobicContact CD2-CD1 3.91Å; L31-L42 HydrophobicContact CD2-CD2 4.17Å; C38-L42 PolarHBondContact O-N 3.49Å; H39-L42 PolarHBondContact O-N 2.94Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 3.39Å; L42-Y45 PolarHBondContact O-N 2.92Å; L42-L46 WeakPolarHBondContact O-CG 3.31Å; L42-L46 PolarHBondContact O-N 3.41Å; L42-L59 HydrophobicContact CD1-CD1 3.75Å; L42-L59 HydrophobicContact CD1-CD2 3.81Å; L42-L59 HydrophobicContact CD1-CG 4.39Å; L42-L59 HydrophobicContact CD2-CD1 3.98Å; L42-L59 HydrophobicContact CG-CD1 3.96Å; L42-L59 HydrophobicContact CG-CD2 4.38Å |
| 43 | V | 83.7 | Confident | 77.7 | Confident | 54 Ų | 54 | 68 Ų | 68 | 33% | 0.327 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 174.3 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | H39 D40 Y45 L46 L47 | H39-V43 VanDerWaalsContact CE1-CG2 3.42Å; H39-V43 WeakPolarHBondContact CE1-CG2 3.28Å; H39-V43 WeakPolarHBondContact O-CG2 3.31Å; H39-V43 PolarHBondContact O-N 3.45Å; D40-V43 PolarHBondContact O-N 3.3Å; V43-Y45 VanDerWaalsContact C-N 3.27Å; V43-Y45 PolarHBondContact O-N 3.28Å; V43-L46 WeakPolarHBondContact O-CB 3.32Å; V43-L46 PolarHBondContact O-N 2.95Å; V43-L46 VanDerWaalsContact O-N 3.12Å; V43-L47 HydrophobicContact CG1-CD1 3.94Å; V43-L47 HydrophobicContact CG1-CG 4.2Å; V43-L47 VanDerWaalsContact O-CG 3.26Å; V43-L47 WeakPolarHBondContact O-CG 3.37Å; V43-L47 PolarHBondContact O-N 2.85Å |
| 44 | K | 84.9 | Confident | 76.5 | Confident | 151 Ų | 151 | 71 Ų | 71 | 66% | 0.657 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.1 | -43.8 | 177.6 | -171.5 | 174.5 | -177.5 | 177.9 | 0 | 111.2 | D40 L46 L47 S48 | D40-K44 VanDerWaalsContact O-CB 3.25Å; D40-K44 WeakPolarHBondContact O-CB 3.31Å; D40-K44 PolarHBondContact O-N 2.89Å; K44-L46 PolarHBondContact O-N 3.22Å; K44-L47 PolarHBondContact O-N 3.1Å; K44-L47 VanDerWaalsContact O-N 3.16Å; K44-S48 WeakPolarHBondContact O-CB 3.31Å; K44-S48 PolarHBondContact O-N 3.34Å; K44-S48 PolarHBondContact O-OG 3.37Å; K44-S48 VanDerWaalsContact O-OG 3.09Å |
| 45 | Y | 82.9 | Confident | 75.6 | Confident | 76 Ų | 76 | 72.4 Ų | 72.4 | 30% | 0.298 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 176.4 | -171.9 | -97.1 | 0 | 0 | 0 | 112.9 | C41 L42 V43 L47 S48 T49 L59 V60 | C41-Y45 VanDerWaalsContact O-CB 3.3Å; C41-Y45 WeakPolarHBondContact O-CB 3.47Å; C41-Y45 PolarHBondContact O-N 3.42Å; L42-Y45 PolarHBondContact O-N 2.92Å; V43-Y45 VanDerWaalsContact C-N 3.27Å; V43-Y45 PolarHBondContact O-N 3.28Å; Y45-L47 VanDerWaalsContact C-N 3.31Å; Y45-L47 PolarHBondContact O-N 3.24Å; Y45-S48 PolarHBondContact O-N 2.99Å; Y45-T49 HydrophobicContact CD1-CG2 4.39Å; Y45-T49 HydrophobicContact CE1-CG2 4.08Å; Y45-T49 HydrophobicContact CE2-CG2 4.46Å; Y45-T49 VanDerWaalsContact O-CG2 3.28Å; Y45-T49 WeakPolarHBondContact O-CG2 3.03Å; Y45-T49 PolarHBondContact O-N 3.07Å; Y45-T49 VanDerWaalsContact O-N 3.15Å; Y45-T49 PolarHBondContact O-OG1 3.31Å; Y45-L59 HydrophobicContact CD1-CD2 3.49Å; Y45-L59 VanDerWaalsContact CD1-CD2 3.49Å; Y45-L59 HydrophobicContact CE1-CD2 3.98Å; Y45-V60 VanDerWaalsContact CE1-O 3.25Å; Y45-V60 WeakPolarHBondContact CE1-O 3.27Å; Y45-V60 PolarHBondContact OH-O 2.96Å |
| 46 | L | 81.5 | Confident | 74.4 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 18% | 0.178 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 171.9 | -77.1 | 168.5 | 0 | 0 | 0 | 113.2 | L42 V43 K44 T49 L59 L70 | L42-L46 WeakPolarHBondContact O-CG 3.31Å; L42-L46 PolarHBondContact O-N 3.41Å; V43-L46 WeakPolarHBondContact O-CB 3.32Å; V43-L46 PolarHBondContact O-N 2.95Å; V43-L46 VanDerWaalsContact O-N 3.12Å; K44-L46 PolarHBondContact O-N 3.22Å; L46-T49 PolarHBondContact O-OG1 3.21Å; L46-L59 HydrophobicContact CD1-CD1 4.42Å; L46-L59 HydrophobicContact CD1-CD2 4.45Å; L46-L59 HydrophobicContact CD2-CD1 4.08Å; L46-L59 HydrophobicContact CD2-CD2 3.38Å; L46-L59 HydrophobicContact CD2-CG 3.47Å; L46-L59 VanDerWaalsContact CD2-CG 3.47Å; L46-L59 HydrophobicContact CG-CD1 4.32Å; L46-L59 HydrophobicContact CG-CD2 3.55Å; L46-L59 HydrophobicContact CG-CG 4.03Å; L46-L70 HydrophobicContact CD1-CD1 3.76Å; L46-L70 HydrophobicContact CD2-CD1 3.79Å; L46-L70 HydrophobicContact CG-CD1 4.39Å |
| 47 | L | 78.6 | Confident | 73.6 | Confident | 85 Ų | 85 | 77.7 Ų | 77.7 | 45% | 0.445 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.4 | -39 | 179.8 | -64.6 | 179.7 | 0 | 0 | 0 | 111.5 | V43 K44 Y45 R50 | V43-L47 HydrophobicContact CG1-CD1 3.94Å; V43-L47 HydrophobicContact CG1-CG 4.2Å; V43-L47 VanDerWaalsContact O-CG 3.26Å; V43-L47 WeakPolarHBondContact O-CG 3.37Å; V43-L47 PolarHBondContact O-N 2.85Å; K44-L47 PolarHBondContact O-N 3.1Å; K44-L47 VanDerWaalsContact O-N 3.16Å; Y45-L47 VanDerWaalsContact C-N 3.31Å; Y45-L47 PolarHBondContact O-N 3.24Å; L47-R50 WeakPolarHBondContact O-CB 3.25Å; L47-R50 WeakPolarHBondContact O-CD 3.35Å; L47-R50 VanDerWaalsContact O-CG 3.29Å; L47-R50 WeakPolarHBondContact O-CG 3.36Å; L47-R50 PolarHBondContact O-N 3.1Å |
| 48 | S | 73.4 | Confident | 72.9 | Confident | 92 Ų | 92 | 79.4 Ų | 79.4 | 64% | 0.643 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -71.4 | -27.4 | 180 | -64.7 | 0 | 0 | 0 | 0 | 113.7 | K44 Y45 R50 | K44-S48 WeakPolarHBondContact O-CB 3.31Å; K44-S48 PolarHBondContact O-N 3.34Å; K44-S48 PolarHBondContact O-OG 3.37Å; K44-S48 VanDerWaalsContact O-OG 3.09Å; Y45-S48 PolarHBondContact O-N 2.99Å; S48-R50 PolarHBondContact O-N 2.96Å |
| 49 | T | 65.9 | Low | 72.7 | Confident | 43 Ų | 43 | 78.5 Ų | 78.5 | 26% | 0.264 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 4 | 179.7 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | Y45 L46 V51 | Y45-T49 HydrophobicContact CD1-CG2 4.39Å; Y45-T49 HydrophobicContact CE1-CG2 4.08Å; Y45-T49 HydrophobicContact CE2-CG2 4.46Å; Y45-T49 VanDerWaalsContact O-CG2 3.28Å; Y45-T49 WeakPolarHBondContact O-CG2 3.03Å; Y45-T49 PolarHBondContact O-N 3.07Å; Y45-T49 VanDerWaalsContact O-N 3.15Å; Y45-T49 PolarHBondContact O-OG1 3.31Å; L46-T49 PolarHBondContact O-OG1 3.21Å; T49-V51 VanDerWaalsContact C-N 3.33Å; T49-V51 PolarHBondContact O-N 3.36Å |
| 50 | R | 64.9 | Low | 72.6 | Confident | 124 Ų | 124 | 78.4 Ų | 78.4 | 47% | 0.468 | 42% | 0.423 | S | S | . | . | trans | -69.2 | 86.6 | 175.6 | -66.8 | 177.2 | 179.9 | -165.4 | -1.9 | 110.9 | L47 S48 | L47-R50 WeakPolarHBondContact O-CB 3.25Å; L47-R50 WeakPolarHBondContact O-CD 3.35Å; L47-R50 VanDerWaalsContact O-CG 3.29Å; L47-R50 WeakPolarHBondContact O-CG 3.36Å; L47-R50 PolarHBondContact O-N 3.1Å; S48-R50 PolarHBondContact O-N 2.96Å | ||
| 51 | V | 54.5 | Low | 72.5 | Confident | 110 Ų | 110 | 72.7 Ų | 72.7 | 67% | 0.667 | 39% | 0.392 | S | S | * | . | trans | -87.2 | 120.8 | 162.7 | 177 | 0 | 0 | 0 | 0 | 107.2 | T49 | T49-V51 VanDerWaalsContact C-N 3.33Å; T49-V51 PolarHBondContact O-N 3.36Å | ||
| 52 | D | 54.8 | Low | 72.3 | Confident | 148 Ų | 148 | 75.1 Ų | 75.1 | 79% | 0.791 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 71.7 | 54.2 | 168.5 | -163.1 | 18.1 | 0 | 0 | 0 | 117.2 | Q54 | D52-Q54 PolarHBondContact O-N 3.42Š|
| 53 | G | 60.6 | Low | 72.2 | Confident | 86 Ų | 86 | 78.2 Ų | 78.2 | 89% | 0.887 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 66 | -6.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 54 | Q | 55 | Low | 72 | Confident | 101 Ų | 101 | 78.4 Ų | 78.4 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -100.1 | 132.7 | 176.1 | -79.5 | -97 | 34.5 | 0 | 0 | 110.2 | D52 Q56 | D52-Q54 PolarHBondContact O-N 3.42Å; Q54-Q56 PolarHBondContact O-N 3.45Å |
| 55 | V | 59.4 | Low | 71.9 | Confident | 78 Ų | 78 | 81 Ų | 81 | 47% | 0.473 | 43% | 0.432 | S | S | . | . | trans | -69.2 | 99.6 | 171.5 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | R57 | V55-R57 PolarHBondContact O-N 3.06Å; V55-R57 VanDerWaalsContact O-N 3.1Å | ||
| 56 | Q | 62 | Low | 71.8 | Confident | 78 Ų | 78 | 83.5 Ų | 83.5 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | trans | -56.1 | 115.4 | 171.2 | -67.9 | -85.1 | -6 | 0 | 0 | 107.9 | Q54 T58 | Q54-Q56 PolarHBondContact O-N 3.45Å; Q56-T58 PolarHBondContact O-N 3.02Å; Q56-T58 PolarHBondContact OE1-OG1 3.4Å | ||
| 57 | R | 67.9 | Low | 71.7 | Confident | 136 Ų | 136 | 84.7 Ų | 84.7 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | trans | -85.9 | 26.7 | 173 | -72.3 | -165.7 | 174.4 | 94.7 | 7.4 | 111.2 | V55 L70 | V55-R57 PolarHBondContact O-N 3.06Å; V55-R57 VanDerWaalsContact O-N 3.1Å; R57-L70 HydrophobicContact CB-CB 4.44Å; R57-L70 WeakPolarHBondContact CB-O 3.2Å; R57-L70 WeakPolarHBondContact CD-O 3.45Å; R57-L70 PolarHBondContact O-N 3.14Å | ||
| 58 | T | 73.3 | Confident | 71.6 | Confident | 40 Ų | 40 | 81.2 Ų | 81.2 | 25% | 0.245 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.3 | -174.7 | 45.2 | 0 | 0 | 0 | 0 | 108.5 | Q56 T68 F69 | Q56-T58 PolarHBondContact O-N 3.02Å; Q56-T58 PolarHBondContact OE1-OG1 3.4Å; T58-T68 WeakPolarHBondContact CA-O 3.33Å; T58-F69 HydrophobicContact CG2-CD1 3.47Å; T58-F69 VanDerWaalsContact CG2-CD1 3.47Å; T58-F69 HydrophobicContact CG2-CE1 3.56Å; T58-F69 HydrophobicContact CG2-CG 4.48Å |
| 59 | L | 81.3 | Confident | 71.6 | Confident | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.005 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 116.3 | 179.7 | -85.2 | 171.4 | 0 | 0 | 0 | 108.6 | L31 L42 Y45 L46 V67 T68 L70 | L31-L59 HydrophobicContact CD2-CD1 3.9Å; L42-L59 HydrophobicContact CD1-CD1 3.75Å; L42-L59 HydrophobicContact CD1-CD2 3.81Å; L42-L59 HydrophobicContact CD1-CG 4.39Å; L42-L59 HydrophobicContact CD2-CD1 3.98Å; L42-L59 HydrophobicContact CG-CD1 3.96Å; L42-L59 HydrophobicContact CG-CD2 4.38Å; Y45-L59 HydrophobicContact CD1-CD2 3.49Å; Y45-L59 VanDerWaalsContact CD1-CD2 3.49Å; Y45-L59 HydrophobicContact CE1-CD2 3.98Å; L46-L59 HydrophobicContact CD1-CD1 4.42Å; L46-L59 HydrophobicContact CD1-CD2 4.45Å; L46-L59 HydrophobicContact CD2-CD1 4.08Å; L46-L59 HydrophobicContact CD2-CD2 3.38Å; L46-L59 HydrophobicContact CD2-CG 3.47Å; L46-L59 VanDerWaalsContact CD2-CG 3.47Å; L46-L59 HydrophobicContact CG-CD1 4.32Å; L46-L59 HydrophobicContact CG-CD2 3.55Å; L46-L59 HydrophobicContact CG-CG 4.03Å; L59-V67 CarbonylContact O-C 3.57Å; L59-T68 PolarHBondContact N-O 3.14Å; L59-T68 PolarHBondContact O-N 3.45Å; L59-L70 HydrophobicContact CD1-CD1 3.57Å; L59-L70 HydrophobicContact CD1-CD2 3.82Å; L59-L70 HydrophobicContact CD1-CG 3.74Å; L59-L70 HydrophobicContact CG-CD1 4.09Å; L59-L70 HydrophobicContact CG-CG 4.28Å |
| 60 | V | 83.4 | Confident | 71.7 | Confident | 57 Ų | 57 | 85.4 Ų | 85.4 | 35% | 0.345 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.7 | 168.8 | -175.9 | 0 | 0 | 0 | 0 | 108 | Y45 P62 R65 V67 | Y45-V60 VanDerWaalsContact CE1-O 3.25Å; Y45-V60 WeakPolarHBondContact CE1-O 3.27Å; Y45-V60 PolarHBondContact OH-O 2.96Å; V60-P62 WeakPolarHBondContact O-CD 3.27Å; V60-R65 HydrophobicContact CG1-CB 4.34Å; V60-V67 HydrophobicContact CG2-CG2 4.33Å |
| 61 | C | 83.8 | Confident | 71.1 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 45% | 0.452 | C | S | . | . | trans | -64 | 125.4 | 175.7 | -179 | 0 | 0 | 0 | 0 | 110 | L31 H35 I63 C64 R65 Y66 | L31-C61 HydrophobicContact CD1-CB 3.8Å; H35-C61 PolarHBondContact ND1-SG 3.03Å; H35-C61 VanDerWaalsContact ND1-SG 3.4Å; C61-I63 PolarHBondContact O-N 2.97Å; C61-I63 VanDerWaalsContact O-N 3.15Å; C61-I63 PolarHBondContact SG-N 2.93Å; C61-I63 VanDerWaalsContact SG-N 3.4Å; C61-C64 VanDerWaalsContact SG-SG 3.65Å; C61-R65 WeakPolarHBondContact O-CA 3.21Å; C61-R65 PolarHBondContact O-N 2.75Å; C61-Y66 PolarHBondContact N-O 3.05Å | ||
| 62 | P | 82.6 | Confident | 70.6 | Confident | 68 Ų | 68 | 87 Ų | 87 | 44% | 0.442 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.3 | 175.7 | -25 | 34.3 | 0 | 0 | 0 | 114.2 | F37 V60 | F37-P62 HydrophobicContact CE1-CB 4.46Å; F37-P62 HydrophobicContact CE1-CG 4.02Å; F37-P62 HydrophobicContact CZ-CG 4.3Å; V60-P62 WeakPolarHBondContact O-CD 3.27Å |
| 63 | I | 82.1 | Confident | 70 | Confident | 81 Ų | 81 | 85.4 Ų | 85.4 | 42% | 0.415 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -53.1 | -172.4 | -55.4 | 172 | 0 | 0 | 0 | 110.9 | P15 H35 F37 C61 | P15-I63 HydrophobicContact CB-CD1 4.25Å; P15-I63 HydrophobicContact CG-CD1 3.65Å; P15-I63 HydrophobicContact CG-CG1 4.41Å; H35-I63 HydrophobicContact CB-CD1 3.87Å; H35-I63 WeakPolarHBondContact NE2-CG2 3.48Å; F37-I63 HydrophobicContact CE1-CD1 3.9Å; F37-I63 HydrophobicContact CE1-CG1 4.15Å; F37-I63 HydrophobicContact CZ-CD1 3.57Å; F37-I63 HydrophobicContact CZ-CG1 3.87Å; C61-I63 PolarHBondContact O-N 2.97Å; C61-I63 VanDerWaalsContact O-N 3.15Å; C61-I63 PolarHBondContact SG-N 2.93Å; C61-I63 VanDerWaalsContact SG-N 3.4Å |
| 64 | C | 79.9 | Confident | 69 | Low | 58 Ų | 58 | 85.5 Ų | 85.5 | 39% | 0.392 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 6.1 | -175.3 | 63.6 | 0 | 0 | 0 | 0 | 114.7 | C33 H35 C61 Y66 | C33-C64 WeakPolarHBondContact CB-SG 3.42Å; H35-C64 PolarHBondContact CE1-SG 3.34Å; H35-C64 PolarHBondContact ND1-SG 3.4Å; C61-C64 VanDerWaalsContact SG-SG 3.65Å; C64-Y66 PolarHBondContact O-N 2.86Å; C64-Y66 WeakPolarHBondContact SG-CB 3.42Å |
| 65 | R | 82.3 | Confident | 68.4 | Low | 204 Ų | 204 | 86.3 Ų | 86.3 | 77% | 0.77 | 44% | 0.444 | S | S | * | . | trans | 56 | 13.3 | -176.6 | -64.5 | -177.2 | 162 | 88.4 | -1.2 | 114.9 | V60 C61 V67 | V60-R65 HydrophobicContact CG1-CB 4.34Å; C61-R65 WeakPolarHBondContact O-CA 3.21Å; C61-R65 PolarHBondContact O-N 2.75Å; R65-V67 PolarHBondContact O-N 3.37Å | ||
| 66 | Y | 80.1 | Confident | 67.3 | Low | 130 Ų | 130 | 92.8 Ų | 92.8 | 51% | 0.51 | 46% | 0.46 | S | S | . | . | trans | -68.8 | 131.9 | 176.4 | -170.8 | -92.9 | 0 | 0 | 0 | 111 | S32 C33 C61 C64 T68 | S32-Y66 WeakPolarHBondContact OG-CD1 3.38Å; S32-Y66 WeakPolarHBondContact OG-CE1 3.41Å; C33-Y66 HydrophobicContact CB-CD1 3.93Å; C33-Y66 HydrophobicContact CB-CG 3.93Å; C61-Y66 PolarHBondContact N-O 3.05Å; C64-Y66 PolarHBondContact O-N 2.86Å; C64-Y66 WeakPolarHBondContact SG-CB 3.42Å; Y66-T68 PolarHBondContact O-N 2.81Å | ||
| 67 | V | 79.8 | Confident | 66.3 | Low | 59 Ų | 59 | 98.5 Ų | 98.5 | 36% | 0.358 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 114.2 | -179.9 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | L59 V60 R65 F69 | L59-V67 CarbonylContact O-C 3.57Å; V60-V67 HydrophobicContact CG2-CG2 4.33Å; R65-V67 PolarHBondContact O-N 3.37Å; V67-F69 HydrophobicContact CG1-CE1 4.34Å; V67-F69 HydrophobicContact CG1-CE2 4.06Å; V67-F69 HydrophobicContact CG1-CZ 3.93Å |
| 68 | T | 76.8 | Confident | 64.9 | Low | 12 Ų | 12 | 97.3 Ų | 97.3 | 7% | 0.074 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 121.1 | 172.6 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | S32 T58 L59 Y66 | S32-T68 WeakPolarHBondContact OG-CB 3.38Å; S32-T68 WeakPolarHBondContact OG-CG2 3.38Å; S32-T68 PolarHBondContact OG-OG1 3.42Å; T58-T68 WeakPolarHBondContact CA-O 3.33Å; L59-T68 PolarHBondContact N-O 3.14Å; L59-T68 PolarHBondContact O-N 3.45Å; Y66-T68 PolarHBondContact O-N 2.81Å |
| 69 | F | 73 | Confident | 63.5 | Low | 155 Ų | 155 | 100.8 Ų | 100.8 | 68% | 0.68 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 114.6 | 172.6 | -62.5 | -87.1 | 0 | 0 | 0 | 109.7 | T58 V67 S71 | T58-F69 HydrophobicContact CG2-CD1 3.47Å; T58-F69 VanDerWaalsContact CG2-CD1 3.47Å; T58-F69 HydrophobicContact CG2-CE1 3.56Å; T58-F69 HydrophobicContact CG2-CG 4.48Å; V67-F69 HydrophobicContact CG1-CE1 4.34Å; V67-F69 HydrophobicContact CG1-CE2 4.06Å; V67-F69 HydrophobicContact CG1-CZ 3.93Å; F69-S71 PolarHBondContact O-N 3.2Å; F69-S71 VanDerWaalsContact O-N 3.09Å |
| 70 | L | 67.3 | Low | 61.2 | Low | 67 Ų | 67 | 108.1 Ų | 108.1 | 35% | 0.351 | 55% | 0.55 | S | S | . | . | trans | -78.1 | 88.3 | 171.5 | -64.8 | -175.1 | 0 | 0 | 0 | 109.5 | L46 R57 L59 K72 | L46-L70 HydrophobicContact CD1-CD1 3.76Å; L46-L70 HydrophobicContact CD2-CD1 3.79Å; L46-L70 HydrophobicContact CG-CD1 4.39Å; R57-L70 HydrophobicContact CB-CB 4.44Å; R57-L70 WeakPolarHBondContact CB-O 3.2Å; R57-L70 WeakPolarHBondContact CD-O 3.45Å; R57-L70 PolarHBondContact O-N 3.14Å; L59-L70 HydrophobicContact CD1-CD1 3.57Å; L59-L70 HydrophobicContact CD1-CD2 3.82Å; L59-L70 HydrophobicContact CD1-CG 3.74Å; L59-L70 HydrophobicContact CG-CD1 4.09Å; L59-L70 HydrophobicContact CG-CG 4.28Å; L70-K72 PolarHBondContact O-N 3.3Å | ||
| 71 | S | 53.4 | Low | 59.6 | Low | 105 Ų | 105 | 113.9 Ų | 113.9 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | trans | -63 | 131.8 | 166.7 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | F69 K73 | F69-S71 PolarHBondContact O-N 3.2Å; F69-S71 VanDerWaalsContact O-N 3.09Å; S71-K73 PolarHBondContact O-N 2.96Å | ||
| 72 | K | 43.3 | Very low | 57.2 | Low | 163 Ų | 163 | 120.3 Ų | 120.3 | 71% | 0.709 | 61% | 0.612 | S | S | * | * | trans | -69.7 | 78.8 | 172.2 | -173 | -173.7 | 179.4 | -173.5 | 0 | 108 | L70 S74 | L70-K72 PolarHBondContact O-N 3.3Å; K72-S74 PolarHBondContact O-N 3.1Å; K72-S74 VanDerWaalsContact O-N 3.17Å | ||
| 73 | K | 43.5 | Very low | 55.4 | Low | 114 Ų | 114 | 126.3 Ų | 126.3 | 50% | 0.496 | 63% | 0.632 | S | S | . | * | trans | -74.1 | 100.7 | 159.9 | 64.3 | 169.8 | 173.8 | -172.9 | 0 | 107.4 | S71 S75 | S71-K73 PolarHBondContact O-N 2.96Å; K73-S75 PolarHBondContact O-N 3.37Å | ||
| 74 | S | 39.2 | Very low | 53.3 | Low | 89 Ų | 89 | 127.4 Ų | 127.4 | 62% | 0.622 | 65% | 0.646 | S | S | * | * | trans | -53 | 111.6 | 154.7 | 46.7 | 0 | 0 | 0 | 0 | 107.4 | K72 R76 | K72-S74 PolarHBondContact O-N 3.1Å; K72-S74 VanDerWaalsContact O-N 3.17Å; S74-R76 VanDerWaalsContact C-N 3.26Å; S74-R76 PolarHBondContact O-N 3.49Å | ||
| 75 | S | 41.5 | Very low | 51.7 | Low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 35.6 | 44.3 | 144 | 50.7 | 0 | 0 | 0 | 0 | 118.3 | K73 | K73-S75 PolarHBondContact O-N 3.37Š|
| 76 | R | 37.6 | Very low | 49.7 | Very low | 214 Ų | 214 | 128.8 Ų | 128.8 | 81% | 0.808 | 67% | 0.667 | S | S | * | * | trans | -150 | 97 | 159.8 | -150.7 | -177.8 | -62.4 | -147 | 2.7 | 107.9 | S74 P78 | S74-R76 VanDerWaalsContact C-N 3.26Å; S74-R76 PolarHBondContact O-N 3.49Å; R76-P78 WeakPolarHBondContact O-CD 3.48Å | ||
| 77 | W | 40.9 | Very low | 47.8 | Very low | 198 Ų | 198 | 128.2 Ų | 128.2 | 75% | 0.75 | 68% | 0.677 | S | S | * | * | trans | -64.4 | 126 | 166 | -69.4 | 75 | 0 | 0 | 0 | 107.4 | S79 | W77-S79 PolarHBondContact O-N 3.22Š| ||
| 78 | P | 38.3 | Very low | 45.7 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | trans | -74.9 | 105 | 158.1 | -5.2 | 23.5 | 0 | 0 | 0 | 106 | R76 M80 | R76-P78 WeakPolarHBondContact O-CD 3.48Å; P78-M80 VanDerWaalsContact C-N 3.32Å; P78-M80 PolarHBondContact O-N 2.98Å | ||
| 79 | S | 43.5 | Very low | 43.7 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -59.7 | 100.2 | 156.5 | -52.1 | 0 | 0 | 0 | 0 | 107.2 | W77 | W77-S79 PolarHBondContact O-N 3.22Š| ||
| 80 | M | 33.3 | Very low | 42.3 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 171.2 | 111.4 | 144.6 | -97.4 | -70.6 | -176.1 | 0 | 0 | 107.7 | P78 D82 | P78-M80 VanDerWaalsContact C-N 3.32Å; P78-M80 PolarHBondContact O-N 2.98Å; M80-D82 PolarHBondContact O-N 3.15Å | ||
| 81 | L | 49.8 | Very low | 41 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 93% | 0.932 | 76% | 0.758 | S | S | * | * | trans | -54.2 | 90.3 | 149.5 | 178.7 | 89.4 | 0 | 0 | 0 | 107.1 | ||||
| 82 | D | 32.6 | Very low | 40.4 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -105.6 | 131.2 | 167.1 | -137.8 | -63.4 | 0 | 0 | 0 | 110.8 | M80 | M80-D82 PolarHBondContact O-N 3.15Š| ||
| 83 | K | 45 | Very low | 40.1 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | -89.1 | 101.4 | -164.4 | 168 | 177.8 | 169.4 | -177.9 | 0 | 106.9 | ||||
| 84 | S | 39.1 | Very low | 39.9 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -161.8 | 104.4 | 164.5 | -166.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 85 | S | 45.8 | Very low | 40 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 33 | 101.2 | 132.2 | -50 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 86 | Q | 41.1 | Very low | 39.8 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -133.6 | 77.6 | 140.7 | -71.4 | -169.9 | -12 | 0 | 0 | 109.4 | L88 | Q86-L88 PolarHBondContact O-N 3.15Å; Q86-L88 VanDerWaalsContact O-N 3.16Å | ||
| 87 | T | 39.1 | Very low | 40.1 | Very low | 117 Ų | 117 | 137 Ų | 137 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | -58 | 106.2 | 158.2 | -60 | 0 | 0 | 0 | 0 | 108.1 | T89 | T87-T89 HydrophobicContact CG2-CG2 4.17Å; T87-T89 PolarHBondContact O-N 3.35Å | ||
| 88 | L | 36.8 | Very low | 40.3 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -79.7 | 96.1 | 163.2 | -80.1 | 166.6 | 0 | 0 | 0 | 107.5 | Q86 V90 | Q86-L88 PolarHBondContact O-N 3.15Å; Q86-L88 VanDerWaalsContact O-N 3.16Å; L88-V90 PolarHBondContact O-N 3.44Å | ||
| 89 | T | 33 | Very low | 40.6 | Very low | 121 Ų | 121 | 133 Ų | 133 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -60 | 115.6 | 169 | 31 | 0 | 0 | 0 | 0 | 109.7 | T87 | T87-T89 HydrophobicContact CG2-CG2 4.17Å; T87-T89 PolarHBondContact O-N 3.35Å | ||
| 90 | V | 45.4 | Very low | 40 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -85.1 | 121.9 | 160.9 | 178.7 | 0 | 0 | 0 | 0 | 106.8 | L88 V92 | L88-V90 PolarHBondContact O-N 3.44Å; V90-V92 HydrophobicContact CG1-CG2 4.13Å; V90-V92 PolarHBondContact O-N 3.21Å; V90-V92 VanDerWaalsContact O-N 3.09Å | ||
| 91 | P | 38.5 | Very low | 40 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -73.9 | 99.6 | 169.9 | -5.4 | 21.8 | 0 | 0 | 0 | 108.3 | ||||
| 92 | V | 41.2 | Very low | 39.3 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | -102.4 | 106.6 | 155.1 | 176.1 | 0 | 0 | 0 | 0 | 106 | V90 L94 | V90-V92 HydrophobicContact CG1-CG2 4.13Å; V90-V92 PolarHBondContact O-N 3.21Å; V90-V92 VanDerWaalsContact O-N 3.09Å; V92-L94 PolarHBondContact O-N 3.09Å | ||
| 93 | A | 36.5 | Very low | 39.3 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -60.4 | 114.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 94 | L | 39.9 | Very low | 38.8 | Very low | 154 Ų | 154 | 126.4 Ų | 126.4 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 129.5 | 157.3 | -83.7 | 158.3 | 0 | 0 | 0 | 107.1 | V92 S96 | V92-L94 PolarHBondContact O-N 3.09Å; L94-S96 PolarHBondContact O-N 2.87Å |
| 95 | P | 41.7 | Very low | 38.8 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 121.3 | 167.9 | 26.8 | -28.6 | 0 | 0 | 0 | 110.2 | ||
| 96 | S | 36.1 | Very low | 38.3 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 133.1 | 172.4 | -45 | 0 | 0 | 0 | 0 | 111.7 | L94 | L94-S96 PolarHBondContact O-N 2.87Š|
| 97 | V | 44.3 | Very low | 38.6 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | -130.2 | 127.1 | 155.4 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 98 | P | 45.3 | Very low | 38.7 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -102.4 | -176.3 | 179 | 47.3 | -38.5 | 0 | 0 | 0 | 110 | ||||
| 99 | P | 44.8 | Very low | 38.8 | Very low | 113 Ų | 113 | 129 Ų | 129 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | -117.6 | 165 | -114.9 | 18.6 | 6.9 | 0 | 0 | 0 | 113.1 | |||||
| 100 | L | 31.4 | Very low | 39.1 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | -149.5 | 139.9 | 152.7 | -155.9 | 64.2 | 0 | 0 | 0 | 111.9 | ||||
| 101 | D | 33.1 | Very low | 39 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -83.1 | 166.9 | -154.8 | -61.4 | -72.3 | 0 | 0 | 0 | 116.3 | ||||
| 102 | S | 35.4 | Very low | 38.8 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 62.8 | 108.3 | 145.7 | -77.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 103 | L | 33 | Very low | 38.6 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | -177.6 | 136.7 | 82.7 | -162.7 | 59.6 | 0 | 0 | 0 | 108.2 | |||||
| 104 | G | 33.3 | Very low | 38.4 | Very low | 57 Ų | 57 | 126.7 Ų | 126.7 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | trans | -58.6 | 160.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 105 | H | 40.1 | Very low | 38.2 | Very low | 176 Ų | 176 | 123.9 Ų | 123.9 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | 171.3 | 129.1 | 113 | -89 | 84 | 0 | 0 | 0 | 110.7 | |||||
| 106 | T | 35.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 130 Ų | 130 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 74.3 | 117.2 | 156.1 | 65.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 107 | N | 46.2 | Very low | 37.9 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -60.9 | 141.1 | 163 | -152.1 | -27.3 | 0 | 0 | 0 | 109.9 | L109 | N107-L109 PolarHBondContact OD1-N 3.4Š| ||
| 108 | P | 40.5 | Very low | 37.8 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | -148.7 | 112.7 | 117.7 | 32.6 | -13.3 | 0 | 0 | 0 | 113.6 | A110 | P108-A110 VanDerWaalsContact C-N 3.29Å; P108-A110 PolarHBondContact O-N 3.18Å; P108-A110 VanDerWaalsContact O-N 3.08Å | |||
| 109 | L | 40.4 | Very low | 37.6 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -69 | 91.1 | 148.8 | -83.3 | 158.3 | 0 | 0 | 0 | 108.1 | N107 | N107-L109 PolarHBondContact OD1-N 3.4Š| ||
| 110 | A | 38.7 | Very low | 37.7 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | trans | -134.8 | 126.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | P108 | P108-A110 VanDerWaalsContact C-N 3.29Å; P108-A110 PolarHBondContact O-N 3.18Å; P108-A110 VanDerWaalsContact O-N 3.08Å | ||
| 111 | A | 43.3 | Very low | 37.8 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -46 | 143.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 112 | S | 34 | Very low | 37.8 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -137.2 | 108.8 | 158.5 | -84.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 113 | S | 36.2 | Very low | 37.8 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -50 | 132.5 | 163.9 | 40 | 0 | 0 | 0 | 0 | 110.9 | A115 | S113-A115 PolarHBondContact O-N 3.09Š| ||
| 114 | S | 34 | Very low | 37.7 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -71.4 | 92.7 | 170.3 | 46.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 115 | A | 35.9 | Very low | 37.7 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -79.4 | 132.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S113 | S113-A115 PolarHBondContact O-N 3.09Š| ||
| 116 | W | 33.6 | Very low | 37.7 | Very low | 251 Ų | 251 | 137.4 Ų | 137.4 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | trans | -61.4 | 147 | -177.9 | -73.9 | 74.8 | 0 | 0 | 0 | 113.6 | ||||
| 117 | R | 36.9 | Very low | 37.4 | Very low | 236 Ų | 236 | 134.7 Ų | 134.7 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -124.3 | 126.5 | 172.7 | -166.9 | -159.8 | -67.1 | -135.3 | 4.4 | 109.9 | ||||
| 118 | P | 41.7 | Very low | 36.9 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | trans | -104.9 | 160.3 | 159 | 22.6 | -5.6 | 0 | 0 | 0 | 112.1 | ||||
| 119 | P | 41.9 | Very low | 37.5 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | trans | -86.4 | 166.3 | -173 | 34.7 | -33.8 | 0 | 0 | 0 | 114 | ||||
| 120 | P | 45.8 | Very low | 36.9 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -99.1 | 151.3 | -162.1 | 37.3 | -31.2 | 0 | 0 | 0 | 114.2 | ||||
| 121 | G | 33.6 | Very low | 36.6 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | trans | -158.9 | 88.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 122 | Q | 34.3 | Very low | 36.1 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | trans | 31.9 | 119.2 | 152.9 | -77.1 | 170.1 | 71.3 | 0 | 0 | 123.2 | ||||
| 123 | A | 34.5 | Very low | 36.2 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | 69 | 112.8 | 129.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 124 | R | 31.5 | Very low | 36.4 | Very low | 236 Ų | 236 | 137 Ų | 137 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | 153 | 130 | 94.7 | -164.6 | 168 | -151.4 | 173.9 | 5.9 | 113.7 | |||||
| 125 | S | 33.9 | Very low | 36.5 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | 57.7 | 145.4 | 155.4 | -72.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 126 | P | 40.2 | Very low | 36.6 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | -98 | 145.8 | 179.4 | 37.4 | -30.5 | 0 | 0 | 0 | 113.4 | ||||
| 127 | G | 29.2 | Very low | 37 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | 177.6 | 105.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 128 | S | 34.6 | Very low | 37.2 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | 73.3 | 155.6 | 148.5 | -63.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 129 | P | 52.8 | Low | 36.9 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | trans | -104.3 | 153.8 | -158.6 | 38.3 | -28.5 | 0 | 0 | 0 | 113.7 | ||||
| 130 | G | 28.1 | Very low | 36.6 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | 163.2 | 115.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 131 | Q | 32.8 | Very low | 36.3 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | 63.8 | 110 | 136.9 | -51.9 | -167.7 | 97.1 | 0 | 0 | 120.9 | ||||
| 132 | S | 33.6 | Very low | 36.6 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | 41.2 | 111 | 120.7 | -175.6 | 0 | 0 | 0 | 0 | 120 | |||||
| 133 | A | 35 | Very low | 37 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -174.5 | 97.8 | 134.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 134 | Q | 40.8 | Very low | 37.5 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | 46.2 | 139.1 | 88.9 | -71.1 | -65 | -25.5 | 0 | 0 | 114.8 | |||||
| 135 | L | 34.7 | Very low | 38.3 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | trans | 110.2 | 146.5 | 169.6 | -56 | 178.4 | 0 | 0 | 0 | 115.3 | ||||
| 136 | P | 39.8 | Very low | 39 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | -126.3 | 150.7 | -78.9 | 13.8 | 9.9 | 0 | 0 | 0 | 112.6 | D138 | P136-D138 PolarHBondContact O-N 3.29Š| |||
| 137 | L | 40.7 | Very low | 39.1 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 93% | 0.932 | 81% | 0.808 | S | S | * | * | trans | -80.9 | 103.2 | 174.9 | -148.9 | 84.6 | 0 | 0 | 0 | 108.7 | ||||
| 138 | D | 40.7 | Very low | 40.3 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -144 | 137.4 | 167.4 | -106.7 | -43.8 | 0 | 0 | 0 | 111.7 | P136 | P136-D138 PolarHBondContact O-N 3.29Š| ||
| 139 | L | 35.8 | Very low | 41.4 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | 89.6 | 79.2 | 173.2 | -51.5 | 173.6 | 0 | 0 | 0 | 117.7 | ||||
| 140 | L | 35.9 | Very low | 41 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -131.6 | 122.7 | 140.6 | -146 | -161.6 | 0 | 0 | 0 | 107.9 | S142 | L140-S142 PolarHBondContact O-N 2.94Š| ||
| 141 | P | 39.6 | Very low | 42.5 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -63.9 | 119.8 | 174.3 | -20.6 | 33.3 | 0 | 0 | 0 | 110.2 | L143 | P141-L143 PolarHBondContact O-N 3.5Å; P141-L143 VanDerWaalsContact O-N 3.14Å | ||
| 142 | S | 40.2 | Very low | 43.4 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -61.8 | 109.9 | 168.6 | 40.9 | 0 | 0 | 0 | 0 | 109.5 | L140 P144 | L140-S142 PolarHBondContact O-N 2.94Å; S142-P144 VanDerWaalsContact O-CD 3.24Å; S142-P144 WeakPolarHBondContact O-CD 3.46Å | ||
| 143 | L | 43.3 | Very low | 44.5 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | -63.9 | 115.6 | 160.7 | -83.8 | 162.4 | 0 | 0 | 0 | 107.9 | P141 R145 | P141-L143 PolarHBondContact O-N 3.5Å; P141-L143 VanDerWaalsContact O-N 3.14Å; L143-R145 PolarHBondContact O-N 2.9Å | ||
| 144 | P | 45.3 | Very low | 45.5 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -75.2 | 115.9 | 170.7 | 2 | 15.3 | 0 | 0 | 0 | 107.9 | S142 | S142-P144 VanDerWaalsContact O-CD 3.24Å; S142-P144 WeakPolarHBondContact O-CD 3.46Å | ||
| 145 | R | 47.7 | Very low | 45.9 | Very low | 241 Ų | 241 | 149.1 Ų | 149.1 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -58.5 | 132.5 | 172.1 | -164.7 | -176.7 | 179.7 | -149.3 | 0.5 | 110.3 | L143 | L143-R145 PolarHBondContact O-N 2.9Š| ||
| 146 | E | 47.8 | Very low | 46.3 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | trans | -45.4 | 145.6 | -174 | -85 | 94.2 | 155.5 | 0 | 0 | 118.4 | ||||
| 147 | S | 42.9 | Very low | 46.8 | Very low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | -144.1 | 77.4 | 126.4 | 59.9 | 0 | 0 | 0 | 0 | 110.5 | V149 | S147-V149 PolarHBondContact O-N 2.73Å; S147-V149 VanDerWaalsContact O-N 3.15Å | |||
| 148 | Q | 53.8 | Low | 46.9 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 66% | 0.659 | 78% | 0.78 | S | S | * | * | trans | -81.8 | 94.2 | 170.8 | -69.2 | -175.9 | 26.1 | 0 | 0 | 109.3 | F150 | Q148-F150 HydrophobicContact CB-CE2 3.86Å; Q148-F150 HydrophobicContact CB-CZ 4.04Å; Q148-F150 WeakPolarHBondContact O-CD2 3.24Å; Q148-F150 PolarHBondContact O-N 3.49Å | ||
| 149 | V | 57.9 | Low | 47.2 | Very low | 125 Ų | 125 | 146 Ų | 146 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | -74.4 | 110 | 167.1 | 177.7 | 0 | 0 | 0 | 0 | 107.7 | S147 V151 | S147-V149 PolarHBondContact O-N 2.73Å; S147-V149 VanDerWaalsContact O-N 3.15Å; V149-V151 PolarHBondContact O-N 2.89Å | ||
| 150 | F | 44.4 | Very low | 47.9 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 70% | 0.702 | 77% | 0.769 | S | S | * | * | trans | -83 | 111.4 | 172.2 | -65.2 | -85.4 | 0 | 0 | 0 | 109.6 | Q148 I152 | Q148-F150 HydrophobicContact CB-CE2 3.86Å; Q148-F150 HydrophobicContact CB-CZ 4.04Å; Q148-F150 WeakPolarHBondContact O-CD2 3.24Å; Q148-F150 PolarHBondContact O-N 3.49Å; F150-I152 PolarHBondContact O-N 3.09Å | ||
| 151 | V | 60.6 | Low | 48.6 | Very low | 132 Ų | 132 | 142 Ų | 142 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -75.7 | 102.9 | 171.3 | -179.9 | 0 | 0 | 0 | 0 | 108 | V149 S153 | V149-V151 PolarHBondContact O-N 2.89Å; V151-S153 PolarHBondContact O-N 3.4Å | ||
| 152 | I | 51.2 | Low | 49.1 | Very low | 155 Ų | 155 | 145 Ų | 145 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | trans | -70.7 | 104.3 | 173.5 | -56.7 | 172.5 | 0 | 0 | 0 | 107.4 | F150 R154 | F150-I152 PolarHBondContact O-N 3.09Å; I152-R154 PolarHBondContact O-N 2.82Å | ||
| 153 | S | 57 | Low | 49 | Very low | 85 Ų | 85 | 146.9 Ų | 146.9 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | trans | -60.3 | 134.6 | 172.2 | -160.4 | 0 | 0 | 0 | 0 | 109.1 | V151 H155 | V151-S153 PolarHBondContact O-N 3.4Å; S153-H155 PolarHBondContact O-N 2.75Å | ||
| 154 | R | 55.5 | Low | 48.9 | Very low | 236 Ų | 236 | 143.9 Ų | 143.9 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -67 | 16.3 | -172.7 | 40.2 | -168.8 | 161.8 | -155.6 | -4 | 115.4 | I152 | I152-R154 PolarHBondContact O-N 2.82Š|
| 155 | H | 48.8 | Very low | 48.7 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | -126.1 | 70.2 | 175.4 | -57.4 | -65.9 | 0 | 0 | 0 | 109.4 | S153 M157 | S153-H155 PolarHBondContact O-N 2.75Å; H155-M157 PolarHBondContact O-N 3.17Å | ||
| 156 | G | 44.1 | Very low | 48.4 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -75.1 | 113 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 157 | M | 49.6 | Very low | 48 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | trans | -87.5 | 135.9 | 164.4 | -69.7 | -68.2 | -71.5 | 0 | 0 | 108.4 | H155 L159 | H155-M157 PolarHBondContact O-N 3.17Å; M157-L159 PolarHBondContact O-N 3.38Å | ||
| 158 | P | 43.2 | Very low | 48 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -65.8 | 126.2 | 175.6 | 27 | -31.5 | 0 | 0 | 0 | 109.3 | G160 | P158-G160 PolarHBondContact O-N 3.15Š| ||
| 159 | L | 46.9 | Very low | 47.1 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -57.1 | 112.4 | 175.4 | -169.3 | 72.3 | 0 | 0 | 0 | 108.5 | M157 | M157-L159 PolarHBondContact O-N 3.38Š| ||
| 160 | G | 50.5 | Low | 46 | Very low | 58 Ų | 58 | 148 Ų | 148 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | trans | -64.9 | 141.3 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | P158 Q162 | P158-G160 PolarHBondContact O-N 3.15Å; G160-Q162 PolarHBondContact O-N 3.19Å | ||
| 161 | E | 51.2 | Low | 45.9 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -58 | 70.9 | -179.9 | -173.6 | 91 | -148 | 0 | 0 | 112.5 | ||
| 162 | Q | 49.3 | Very low | 44.9 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -154.1 | 76.3 | 166.6 | -70.5 | -151 | 107.4 | 0 | 0 | 110.2 | G160 | G160-Q162 PolarHBondContact O-N 3.19Š| ||
| 163 | D | 38.8 | Very low | 44 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -156.5 | 69.9 | 149.8 | -92.6 | -33.1 | 0 | 0 | 0 | 109 | V165 | D163-V165 PolarHBondContact O-N 3.27Å; D163-V165 VanDerWaalsContact O-N 3.16Å | ||
| 164 | S | 40.3 | Very low | 43.4 | Very low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -75.9 | 88.3 | 168.2 | -47.6 | 0 | 0 | 0 | 0 | 109.2 | L166 | S164-L166 PolarHBondContact O-N 2.98Š| ||
| 165 | V | 41 | Very low | 42.2 | Very low | 127 Ų | 127 | 146 Ų | 146 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -86.8 | 92.5 | 164 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | D163 | D163-V165 PolarHBondContact O-N 3.27Å; D163-V165 VanDerWaalsContact O-N 3.16Å | ||
| 166 | L | 42.1 | Very low | 41.8 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -73.4 | 137.4 | 167.2 | -65.9 | 176.6 | 0 | 0 | 0 | 110.4 | S164 | S164-L166 PolarHBondContact O-N 2.98Š| ||
| 167 | P | 39.3 | Very low | 41.6 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -99.5 | 108.1 | 136 | -20.6 | 35.6 | 0 | 0 | 0 | 112.9 | ||||
| 168 | R | 41.5 | Very low | 41 | Very low | 226 Ų | 226 | 145.2 Ų | 145.2 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -3.9 | 130.3 | 150.2 | -161.2 | 176.8 | -172.5 | 174.8 | 2.2 | 118.2 | ||||
| 169 | R | 36.2 | Very low | 40.8 | Very low | 240 Ų | 240 | 145.5 Ų | 145.5 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | 117.9 | 126.5 | 160 | -68 | 169.1 | 179.3 | 139.6 | -2 | 110.6 | ||||
| 170 | S | 33.7 | Very low | 40.7 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | cis | -143.7 | 147.9 | 16.6 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 171 | L | 43.8 | Very low | 40.3 | Very low | 175 Ų | 175 | 143 Ų | 143 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | -79.2 | 125.9 | 168.1 | 179.1 | 155.1 | 0 | 0 | 0 | 109.2 | ||||
| 172 | A | 38.1 | Very low | 40.2 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | trans | 141.2 | 118.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 173 | E | 33.6 | Very low | 40.1 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | cis | -145.1 | 138.7 | 36.4 | -72 | 171.9 | 82.5 | 0 | 0 | 110.3 | S175 | E173-S175 PolarHBondContact O-N 3.32Š| ||
| 174 | L | 43.3 | Very low | 40.4 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -70 | 117.4 | 155.5 | -84.5 | 150.3 | 0 | 0 | 0 | 107.6 | ||||
| 175 | S | 31.3 | Very low | 40.7 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -147.5 | 105 | 149.7 | -169.4 | 0 | 0 | 0 | 0 | 109.2 | E173 A177 | E173-S175 PolarHBondContact O-N 3.32Å; S175-A177 PolarHBondContact O-N 3.42Å | ||
| 176 | E | 40 | Very low | 41.1 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -46.3 | 125.1 | 164.4 | -70.3 | 170.2 | 72.5 | 0 | 0 | 111.2 | ||||
| 177 | A | 38.7 | Very low | 41.5 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | -168 | 115.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S175 | S175-A177 PolarHBondContact O-N 3.42Š| ||
| 178 | S | 37.3 | Very low | 42.2 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 84.2 | 103.1 | 154.3 | -170.5 | 0 | 0 | 0 | 0 | 118.9 | A180 | S178-A180 PolarHBondContact O-N 3.43Š| ||
| 179 | P | 39.5 | Very low | 42.8 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | trans | -71.4 | 114 | 152.5 | 30.1 | -28.5 | 0 | 0 | 0 | 108.4 | P181 | P179-P181 VanDerWaalsContact O-CD 3.23Å; P179-P181 WeakPolarHBondContact O-CD 3.28Å | ||
| 180 | A | 44.4 | Very low | 44.1 | Very low | 79 Ų | 79 | 126.1 Ų | 126.1 | 65% | 0.653 | 72% | 0.716 | S | S | * | * | trans | -71.2 | 117.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | S178 R182 | S178-A180 PolarHBondContact O-N 3.43Å; A180-R182 PolarHBondContact O-N 2.91Å | ||
| 181 | P | 43.3 | Very low | 45.7 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 59% | 0.591 | 70% | 0.697 | S | S | * | * | trans | -95.1 | 83.7 | 171.9 | 33.8 | -21.2 | 0 | 0 | 0 | 108.1 | P179 S183 A184 | P179-P181 VanDerWaalsContact O-CD 3.23Å; P179-P181 WeakPolarHBondContact O-CD 3.28Å; P181-S183 VanDerWaalsContact C-N 3.31Å; P181-A184 HydrophobicContact CB-CB 4.26Å | ||
| 182 | R | 47.9 | Very low | 47.6 | Very low | 232 Ų | 232 | 123.6 Ų | 123.6 | 88% | 0.875 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -80.9 | -9.4 | 172.8 | -78 | -173.9 | 162.2 | -173.9 | -3.9 | 113.4 | A180 | A180-R182 PolarHBondContact O-N 2.91Š|
| 183 | S | 46.9 | Very low | 49.9 | Very low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -87.9 | -24.6 | 175.3 | 70 | 0 | 0 | 0 | 0 | 114.3 | P181 R185 | P181-S183 VanDerWaalsContact C-N 3.31Å; S183-R185 PolarHBondContact O-N 2.97Å |
| 184 | A | 45.8 | Very low | 52.6 | Low | 49 Ų | 49 | 118 Ų | 118 | 41% | 0.405 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -74.2 | -26.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P181 A186 F187 C188 | P181-A184 HydrophobicContact CB-CB 4.26Å; A184-A186 VanDerWaalsContact C-N 3.31Å; A184-A186 PolarHBondContact O-N 3.16Å; A184-F187 PolarHBondContact O-N 3.49Å; A184-C188 PolarHBondContact O-N 3.12Å; A184-C188 PolarHBondContact O-SG 2.79Å |
| 185 | R | 47.6 | Very low | 54.9 | Low | 203 Ų | 203 | 115.1 Ų | 115.1 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.6 | -24.7 | -176 | -159.1 | 174.2 | -72 | -171.6 | -2.7 | 113.2 | S183 | S183-R185 PolarHBondContact O-N 2.97Å |
| 186 | A | 49.2 | Very low | 57.9 | Low | 74 Ų | 74 | 114.9 Ų | 114.9 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -78.4 | -28.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A184 | A184-A186 VanDerWaalsContact C-N 3.31Å; A184-A186 PolarHBondContact O-N 3.16Å |
| 187 | F | 49.4 | Very low | 60.5 | Low | 164 Ų | 164 | 111 Ų | 111 | 72% | 0.719 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.7 | -36 | 174.5 | -107.4 | -88.7 | 0 | 0 | 0 | 112.2 | A184 C189 R190 S191 | A184-F187 PolarHBondContact O-N 3.49Å; F187-C189 PolarHBondContact O-N 3.42Å; F187-R190 PolarHBondContact O-N 2.85Å; F187-S191 WeakPolarHBondContact O-CB 3.45Å; F187-S191 PolarHBondContact O-N 3.22Å; F187-S191 PolarHBondContact O-OG 3.16Å |
| 188 | C | 54.9 | Low | 63.2 | Low | 67 Ų | 67 | 110.2 Ų | 110.2 | 45% | 0.453 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.4 | -31.2 | -177.1 | -64.2 | 0 | 0 | 0 | 0 | 114.8 | A184 S191 R192 | A184-C188 PolarHBondContact O-N 3.12Å; A184-C188 PolarHBondContact O-SG 2.79Å; C188-S191 WeakPolarHBondContact CA-OG 3.29Å; C188-S191 PolarHBondContact O-OG 3.08Å; C188-R192 WeakPolarHBondContact O-CG 3.5Å; C188-R192 PolarHBondContact O-N 3.05Å |
| 189 | C | 54.2 | Low | 66 | Low | 91 Ų | 91 | 110.5 Ų | 110.5 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83 | -33.9 | 178.4 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | F187 A193 | F187-C189 PolarHBondContact O-N 3.42Å; C189-A193 PolarHBondContact O-N 2.75Å |
| 190 | R | 62.2 | Low | 68.8 | Low | 153 Ų | 153 | 110 Ų | 110 | 58% | 0.577 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.3 | -35.5 | 175.7 | -159.9 | 169.4 | -176.3 | 180 | -2.3 | 111.2 | F187 L194 | F187-R190 PolarHBondContact O-N 2.85Å; R190-L194 WeakPolarHBondContact O-CB 3.18Å; R190-L194 VanDerWaalsContact O-CG 3.27Å; R190-L194 WeakPolarHBondContact O-CG 3.25Å; R190-L194 PolarHBondContact O-N 3.42Å |
| 191 | S | 69.1 | Low | 71.2 | Confident | 53 Ų | 53 | 108.7 Ų | 108.7 | 37% | 0.371 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.2 | -43.2 | 174.6 | 65.8 | 0 | 0 | 0 | 0 | 112.5 | F187 C188 A193 L194 L195 | F187-S191 WeakPolarHBondContact O-CB 3.45Å; F187-S191 PolarHBondContact O-N 3.22Å; F187-S191 PolarHBondContact O-OG 3.16Å; C188-S191 WeakPolarHBondContact CA-OG 3.29Å; C188-S191 PolarHBondContact O-OG 3.08Å; S191-A193 PolarHBondContact O-N 3.34Å; S191-L194 PolarHBondContact O-N 3.33Å; S191-L195 WeakPolarHBondContact O-CB 3.41Å; S191-L195 VanDerWaalsContact O-CG 3.29Å; S191-L195 WeakPolarHBondContact O-CG 3.47Å; S191-L195 PolarHBondContact O-N 3.4Å |
| 192 | R | 82.7 | Confident | 73.8 | Confident | 181 Ų | 181 | 108.8 Ų | 108.8 | 68% | 0.683 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.1 | -41.9 | 176 | -74 | 176.7 | -177.2 | -175.1 | 0.8 | 112.6 | C188 L195 L196 | C188-R192 WeakPolarHBondContact O-CG 3.5Å; C188-R192 PolarHBondContact O-N 3.05Å; R192-L195 PolarHBondContact O-N 2.8Å; R192-L196 WeakPolarHBondContact O-CG 3.33Å; R192-L196 PolarHBondContact O-N 3.03Å; R192-L196 VanDerWaalsContact O-N 3.1Å |
| 193 | A | 86.4 | Confident | 76.1 | Confident | 47 Ų | 47 | 102 Ų | 102 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.7 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | C189 S191 L196 I197 | C189-A193 PolarHBondContact O-N 2.75Å; S191-A193 PolarHBondContact O-N 3.34Å; A193-L196 PolarHBondContact O-N 3.47Å; A193-I197 VanDerWaalsContact O-CG1 3.27Å; A193-I197 WeakPolarHBondContact O-CG1 3.4Å; A193-I197 PolarHBondContact O-N 2.91Å |
| 194 | L | 89.6 | Confident | 78.5 | Confident | 101 Ų | 101 | 100.1 Ų | 100.1 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 176.4 | -71.7 | 173.7 | 0 | 0 | 0 | 112 | R190 S191 L196 I197 T198 | R190-L194 WeakPolarHBondContact O-CB 3.18Å; R190-L194 VanDerWaalsContact O-CG 3.27Å; R190-L194 WeakPolarHBondContact O-CG 3.25Å; R190-L194 PolarHBondContact O-N 3.42Å; S191-L194 PolarHBondContact O-N 3.33Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L194-L196 PolarHBondContact O-N 3.21Å; L194-I197 PolarHBondContact O-N 3.4Å; L194-T198 WeakPolarHBondContact O-CG2 3.43Å; L194-T198 PolarHBondContact O-N 3.01Å; L194-T198 PolarHBondContact O-OG1 2.84Å; L194-T198 VanDerWaalsContact O-OG1 3.13Å |
| 195 | L | 92.1 | Very high | 80.9 | Confident | 115 Ų | 115 | 101.7 Ų | 101.7 | 60% | 0.602 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60 | -42 | 176.2 | -73 | 174.5 | 0 | 0 | 0 | 112.2 | S191 R192 T198 L199 | S191-L195 WeakPolarHBondContact O-CB 3.41Å; S191-L195 VanDerWaalsContact O-CG 3.29Å; S191-L195 WeakPolarHBondContact O-CG 3.47Å; S191-L195 PolarHBondContact O-N 3.4Å; R192-L195 PolarHBondContact O-N 2.8Å; L195-T198 VanDerWaalsContact CA-OG1 3.31Å; L195-T198 WeakPolarHBondContact CA-OG1 3.26Å; L195-T198 PolarHBondContact O-N 3.48Å; L195-T198 PolarHBondContact O-OG1 2.9Å; L195-L199 VanDerWaalsContact O-CB 3.31Å; L195-L199 WeakPolarHBondContact O-CB 3.25Å; L195-L199 PolarHBondContact O-N 2.77Å |
| 196 | L | 94.8 | Very high | 83.2 | Confident | 105 Ų | 105 | 95.3 Ų | 95.3 | 55% | 0.55 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 175.5 | -69.4 | 172.4 | 0 | 0 | 0 | 111.7 | R192 A193 L194 T198 L199 I200 | R192-L196 WeakPolarHBondContact O-CG 3.33Å; R192-L196 PolarHBondContact O-N 3.03Å; R192-L196 VanDerWaalsContact O-N 3.1Å; A193-L196 PolarHBondContact O-N 3.47Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L194-L196 PolarHBondContact O-N 3.21Å; L196-T198 PolarHBondContact O-N 3.07Å; L196-L199 PolarHBondContact O-N 3.42Å; L196-I200 WeakPolarHBondContact O-CD1 3.42Å; L196-I200 WeakPolarHBondContact O-CG1 3.47Å; L196-I200 PolarHBondContact O-N 3.34Å |
| 197 | I | 95 | Very high | 85.3 | Confident | 108 Ų | 108 | 94.7 Ų | 94.7 | 55% | 0.554 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.9 | -44.9 | 176.9 | -66.9 | 163.9 | 0 | 0 | 0 | 110.5 | A193 L194 I200 A201 | A193-I197 VanDerWaalsContact O-CG1 3.27Å; A193-I197 WeakPolarHBondContact O-CG1 3.4Å; A193-I197 PolarHBondContact O-N 2.91Å; L194-I197 PolarHBondContact O-N 3.4Å; I197-I200 PolarHBondContact O-N 2.83Å; I197-A201 WeakPolarHBondContact O-CB 3.3Å; I197-A201 PolarHBondContact O-N 3.44Å |
| 198 | T | 95.4 | Very high | 87.4 | Confident | 77 Ų | 77 | 89.8 Ų | 89.8 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 177.8 | 53.9 | 0 | 0 | 0 | 0 | 112 | L194 L195 L196 A201 V202 | L194-T198 WeakPolarHBondContact O-CG2 3.43Å; L194-T198 PolarHBondContact O-N 3.01Å; L194-T198 PolarHBondContact O-OG1 2.84Å; L194-T198 VanDerWaalsContact O-OG1 3.13Å; L195-T198 VanDerWaalsContact CA-OG1 3.31Å; L195-T198 WeakPolarHBondContact CA-OG1 3.26Å; L195-T198 PolarHBondContact O-N 3.48Å; L195-T198 PolarHBondContact O-OG1 2.9Å; L196-T198 PolarHBondContact O-N 3.07Å; T198-A201 PolarHBondContact O-N 3.01Å; T198-V202 VanDerWaalsContact O-CG2 3.28Å; T198-V202 WeakPolarHBondContact O-CG2 3.37Å; T198-V202 PolarHBondContact O-N 2.89Å |
| 199 | L | 96.3 | Very high | 89.3 | Confident | 110 Ų | 110 | 91 Ų | 91 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -47.9 | 176.7 | -173.6 | 93.8 | 0 | 0 | 0 | 110.8 | L195 L196 A201 V202 V203 | L195-L199 VanDerWaalsContact O-CB 3.31Å; L195-L199 WeakPolarHBondContact O-CB 3.25Å; L195-L199 PolarHBondContact O-N 2.77Å; L196-L199 PolarHBondContact O-N 3.42Å; L199-A201 VanDerWaalsContact C-N 3.33Å; L199-A201 PolarHBondContact O-N 3.22Å; L199-V202 PolarHBondContact O-N 3.32Å; L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.47Å; L199-V203 PolarHBondContact O-N 3.01Å |
| 200 | I | 96.6 | Very high | 90.9 | Very high | 114 Ų | 114 | 90.9 Ų | 90.9 | 59% | 0.585 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.9 | -44.4 | 178.6 | -67 | 163.4 | 0 | 0 | 0 | 110.4 | L196 I197 V203 A204 | L196-I200 WeakPolarHBondContact O-CD1 3.42Å; L196-I200 WeakPolarHBondContact O-CG1 3.47Å; L196-I200 PolarHBondContact O-N 3.34Å; I197-I200 PolarHBondContact O-N 2.83Å; I200-V203 PolarHBondContact O-N 3.06Å; I200-A204 WeakPolarHBondContact O-CB 3.15Å; I200-A204 PolarHBondContact O-N 2.07Å |
| 201 | A | 96.6 | Very high | 92.2 | Very high | 51 Ų | 51 | 86.7 Ų | 86.7 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I197 T198 L199 A204 V205 | I197-A201 WeakPolarHBondContact O-CB 3.3Å; I197-A201 PolarHBondContact O-N 3.44Å; T198-A201 PolarHBondContact O-N 3.01Å; L199-A201 VanDerWaalsContact C-N 3.33Å; L199-A201 PolarHBondContact O-N 3.22Å; A201-A204 PolarHBondContact O-N 3.44Å; A201-V205 VanDerWaalsContact O-CG2 3.31Å; A201-V205 WeakPolarHBondContact O-CG2 3.42Å; A201-V205 PolarHBondContact O-N 2.95Å |
| 202 | V | 96.4 | Very high | 93.2 | Very high | 92 Ų | 92 | 93 Ų | 93 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.7 | -46.4 | 177.4 | 171 | 0 | 0 | 0 | 0 | 111 | T198 L199 A204 V205 V206 | T198-V202 VanDerWaalsContact O-CG2 3.28Å; T198-V202 WeakPolarHBondContact O-CG2 3.37Å; T198-V202 PolarHBondContact O-N 2.89Å; L199-V202 PolarHBondContact O-N 3.32Å; V202-A204 VanDerWaalsContact C-N 3.31Å; V202-A204 PolarHBondContact O-N 2.94Å; V202-V205 PolarHBondContact O-N 3.44Å; V202-V206 HydrophobicContact CG1-CG2 4.33Å; V202-V206 WeakPolarHBondContact O-CB 3.12Å; V202-V206 VanDerWaalsContact O-CG2 3.29Å; V202-V206 WeakPolarHBondContact O-CG2 3.39Å; V202-V206 PolarHBondContact O-N 3.18Å |
| 203 | V | 96.9 | Very high | 93.4 | Very high | 91 Ų | 91 | 87.3 Ų | 87.3 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.2 | -42.3 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | L199 I200 V206 A207 | L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.47Å; L199-V203 PolarHBondContact O-N 3.01Å; I200-V203 PolarHBondContact O-N 3.06Å; V203-V206 PolarHBondContact O-N 2.75Å; V203-A207 WeakPolarHBondContact O-CB 3.47Å; V203-A207 PolarHBondContact O-N 3.49Å |
| 204 | A | 96.6 | Very high | 93.4 | Very high | 57 Ų | 57 | 90.4 Ų | 90.4 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I200 A201 V202 A207 A208 | I200-A204 WeakPolarHBondContact O-CB 3.15Å; I200-A204 PolarHBondContact O-N 2.07Å; A201-A204 PolarHBondContact O-N 3.44Å; V202-A204 VanDerWaalsContact C-N 3.31Å; V202-A204 PolarHBondContact O-N 2.94Å; A204-A207 PolarHBondContact O-N 2.92Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 3.07Å |
| 205 | V | 96.6 | Very high | 93.1 | Very high | 81 Ų | 81 | 90.6 Ų | 90.6 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 177.1 | 171 | 0 | 0 | 0 | 0 | 111 | A201 V202 A208 I209 | A201-V205 VanDerWaalsContact O-CG2 3.31Å; A201-V205 WeakPolarHBondContact O-CG2 3.42Å; A201-V205 PolarHBondContact O-N 2.95Å; V202-V205 PolarHBondContact O-N 3.44Å; V205-A208 PolarHBondContact O-N 3.05Å; V205-I209 HydrophobicContact CG1-CD1 3.55Å; V205-I209 HydrophobicContact CG1-CG1 4.39Å; V205-I209 WeakPolarHBondContact O-CB 3.46Å; V205-I209 VanDerWaalsContact O-CG1 3.31Å; V205-I209 WeakPolarHBondContact O-CG1 3.38Å; V205-I209 PolarHBondContact O-N 3.23Å |
| 206 | V | 95.7 | Very high | 92.9 | Very high | 69 Ų | 69 | 90 Ų | 90 | 42% | 0.418 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 177 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | V202 V203 A208 I209 L210 | V202-V206 HydrophobicContact CG1-CG2 4.33Å; V202-V206 WeakPolarHBondContact O-CB 3.12Å; V202-V206 VanDerWaalsContact O-CG2 3.29Å; V202-V206 WeakPolarHBondContact O-CG2 3.39Å; V202-V206 PolarHBondContact O-N 3.18Å; V203-V206 PolarHBondContact O-N 2.75Å; V206-A208 VanDerWaalsContact C-N 3.25Å; V206-A208 PolarHBondContact O-N 3.04Å; V206-I209 PolarHBondContact O-N 2.93Å; V206-L210 HydrophobicContact CG1-CD1 3.38Å; V206-L210 HydrophobicContact CG1-CG 3.77Å; V206-L210 VanDerWaalsContact O-CB 3.25Å; V206-L210 WeakPolarHBondContact O-CB 3.37Å; V206-L210 WeakPolarHBondContact O-CG 3.39Å; V206-L210 PolarHBondContact O-N 3.45Å |
| 207 | A | 93.8 | Very high | 92 | Very high | 61 Ų | 61 | 94 Ų | 94 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -30.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | V203 A204 P211 | V203-A207 WeakPolarHBondContact O-CB 3.47Å; V203-A207 PolarHBondContact O-N 3.49Å; A204-A207 PolarHBondContact O-N 2.92Å; A207-P211 WeakPolarHBondContact O-CD 3.31Å; A207-P211 WeakPolarHBondContact O-CG 3.42Å |
| 208 | A | 94.3 | Very high | 91 | Very high | 61 Ų | 61 | 97.3 Ų | 97.3 | 50% | 0.504 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A204 V205 V206 W212 | A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 3.07Å; V205-A208 PolarHBondContact O-N 3.05Å; V206-A208 VanDerWaalsContact C-N 3.25Å; V206-A208 PolarHBondContact O-N 3.04Å; A208-W212 VanDerWaalsContact O-CD1 3.26Å |
| 209 | I | 93.1 | Very high | 89.6 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -88.3 | -34.7 | -173.9 | -64.6 | 172.5 | 0 | 0 | 0 | 112.4 | V205 V206 P211 W212 V213 | V205-I209 HydrophobicContact CG1-CD1 3.55Å; V205-I209 HydrophobicContact CG1-CG1 4.39Å; V205-I209 WeakPolarHBondContact O-CB 3.46Å; V205-I209 VanDerWaalsContact O-CG1 3.31Å; V205-I209 WeakPolarHBondContact O-CG1 3.38Å; V205-I209 PolarHBondContact O-N 3.23Å; V206-I209 PolarHBondContact O-N 2.93Å; I209-P211 VanDerWaalsContact C-CD 3.49Å; I209-W212 PolarHBondContact O-N 2.78Å; I209-W212 VanDerWaalsContact O-N 3.1Å; I209-V213 HydrophobicContact CG2-CG2 3.72Å; I209-V213 WeakPolarHBondContact O-CG2 3.13Å; I209-V213 PolarHBondContact O-N 3.24Å |
| 210 | L | 88.9 | Confident | 87.6 | Confident | 89 Ų | 89 | 103.3 Ų | 103.3 | 47% | 0.466 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -53.2 | -45.3 | -178.6 | -82.3 | 172.7 | 0 | 0 | 0 | 113.6 | V206 W212 V213 L214 | V206-L210 HydrophobicContact CG1-CD1 3.38Å; V206-L210 HydrophobicContact CG1-CG 3.77Å; V206-L210 VanDerWaalsContact O-CB 3.25Å; V206-L210 WeakPolarHBondContact O-CB 3.37Å; V206-L210 WeakPolarHBondContact O-CG 3.39Å; V206-L210 PolarHBondContact O-N 3.45Å; L210-W212 VanDerWaalsContact C-N 3.31Å; L210-W212 PolarHBondContact O-N 3.05Å; L210-V213 PolarHBondContact O-N 3.4Å; L210-L214 WeakPolarHBondContact O-CB 3.48Å; L210-L214 VanDerWaalsContact O-CG 3.22Å; L210-L214 WeakPolarHBondContact O-CG 3.29Å; L210-L214 PolarHBondContact O-N 3.37Å |
| 211 | P | 89.6 | Confident | 87.1 | Confident | 66 Ų | 66 | 102.8 Ų | 102.8 | 43% | 0.429 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.6 | -41.3 | 177.9 | -24.2 | 34.4 | 0 | 0 | 0 | 112.5 | A207 I209 L214 L215 | A207-P211 WeakPolarHBondContact O-CD 3.31Å; A207-P211 WeakPolarHBondContact O-CG 3.42Å; I209-P211 VanDerWaalsContact C-CD 3.49Å; P211-L214 PolarHBondContact O-N 3.4Å; P211-L215 WeakPolarHBondContact O-CB 3.44Å; P211-L215 WeakPolarHBondContact O-CG 3.45Å; P211-L215 PolarHBondContact O-N 2.91Å |
| 212 | W | 88.8 | Confident | 86.6 | Confident | 185 Ų | 185 | 105.5 Ų | 105.5 | 70% | 0.701 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.3 | -44.2 | 178 | -71.4 | 97.7 | 0 | 0 | 0 | 111.8 | A208 I209 L210 L214 L215 V216 | A208-W212 VanDerWaalsContact O-CD1 3.26Å; I209-W212 PolarHBondContact O-N 2.78Å; I209-W212 VanDerWaalsContact O-N 3.1Å; L210-W212 VanDerWaalsContact C-N 3.31Å; L210-W212 PolarHBondContact O-N 3.05Å; W212-L214 VanDerWaalsContact C-N 3.35Å; W212-L214 PolarHBondContact O-N 2.76Å; W212-L215 PolarHBondContact O-N 2.8Å; W212-V216 VanDerWaalsContact O-CG2 3.29Å; W212-V216 WeakPolarHBondContact O-CG2 3.44Å; W212-V216 PolarHBondContact O-N 3.08Å |
| 213 | V | 87.9 | Confident | 86.1 | Confident | 61 Ų | 61 | 106.2 Ų | 106.2 | 37% | 0.37 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65 | -40.5 | 178.5 | 175 | 0 | 0 | 0 | 0 | 111.3 | I209 L210 V216 R217 | I209-V213 HydrophobicContact CG2-CG2 3.72Å; I209-V213 WeakPolarHBondContact O-CG2 3.13Å; I209-V213 PolarHBondContact O-N 3.24Å; L210-V213 PolarHBondContact O-N 3.4Å; V213-V216 PolarHBondContact O-N 2.74Å; V213-R217 WeakPolarHBondContact O-CB 2.79Å; V213-R217 WeakPolarHBondContact O-CG 3.3Å; V213-R217 PolarHBondContact O-N 3.21Å |
| 214 | L | 85.7 | Confident | 85.4 | Confident | 112 Ų | 112 | 107.1 Ų | 107.1 | 59% | 0.586 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.1 | -36.7 | 176.7 | -68.7 | 175.1 | 0 | 0 | 0 | 112 | L210 P211 W212 K218 | L210-L214 WeakPolarHBondContact O-CB 3.48Å; L210-L214 VanDerWaalsContact O-CG 3.22Å; L210-L214 WeakPolarHBondContact O-CG 3.29Å; L210-L214 PolarHBondContact O-N 3.37Å; P211-L214 PolarHBondContact O-N 3.4Å; W212-L214 VanDerWaalsContact C-N 3.35Å; W212-L214 PolarHBondContact O-N 2.76Å; L214-K218 WeakPolarHBondContact O-CB 3.42Å; L214-K218 PolarHBondContact O-N 2.98Å |
| 215 | L | 84.3 | Confident | 84.7 | Confident | 106 Ų | 106 | 110.3 Ų | 110.3 | 56% | 0.555 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.1 | -42.6 | 174.6 | -76.2 | 171.2 | 0 | 0 | 0 | 112.1 | P211 W212 K218 Q219 | P211-L215 WeakPolarHBondContact O-CB 3.44Å; P211-L215 WeakPolarHBondContact O-CG 3.45Å; P211-L215 PolarHBondContact O-N 2.91Å; W212-L215 PolarHBondContact O-N 2.8Å; L215-K218 PolarHBondContact O-N 3.18Å; L215-Q219 VanDerWaalsContact O-CG 3.31Å; L215-Q219 WeakPolarHBondContact O-CG 3.4Å; L215-Q219 PolarHBondContact O-N 2.91Å |
| 216 | V | 87 | Confident | 83.9 | Confident | 103 Ų | 103 | 112.2 Ų | 112.2 | 62% | 0.624 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.4 | -41.4 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | W212 V213 K218 Q219 | W212-V216 VanDerWaalsContact O-CG2 3.29Å; W212-V216 WeakPolarHBondContact O-CG2 3.44Å; W212-V216 PolarHBondContact O-N 3.08Å; V213-V216 PolarHBondContact O-N 2.74Å; V216-K218 VanDerWaalsContact C-N 3.31Å; V216-K218 PolarHBondContact O-N 3.18Å; V216-Q219 PolarHBondContact O-N 2.9Å |
| 217 | R | 76.5 | Confident | 83.1 | Confident | 188 Ų | 188 | 115.3 Ų | 115.3 | 71% | 0.709 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.1 | -22 | 177.8 | -75.6 | -171.4 | 175.6 | -169.2 | -0.6 | 114.4 | V213 Q219 | V213-R217 WeakPolarHBondContact O-CB 2.79Å; V213-R217 WeakPolarHBondContact O-CG 3.3Å; V213-R217 PolarHBondContact O-N 3.21Å; R217-Q219 VanDerWaalsContact C-N 3.29Å |
| 218 | K | 74.6 | Confident | 82.3 | Confident | 177 Ų | 177 | 119.5 Ų | 119.5 | 77% | 0.77 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -79 | -15.8 | 174.9 | -167.9 | 177.3 | 174.6 | -180 | 0 | 112.5 | L214 L215 V216 | L214-K218 WeakPolarHBondContact O-CB 3.42Å; L214-K218 PolarHBondContact O-N 2.98Å; L215-K218 PolarHBondContact O-N 3.18Å; V216-K218 VanDerWaalsContact C-N 3.31Å; V216-K218 PolarHBondContact O-N 3.18Å |
| 219 | Q | 65 | Low | 81.3 | Confident | 173 Ų | 173 | 124.3 Ų | 124.3 | 81% | 0.808 | 64% | 0.637 | S | S | * | * | trans | -98.6 | 0.4 | -179.6 | -63.6 | -75.5 | 15.9 | 0 | 0 | 113.3 | L215 V216 R217 | L215-Q219 VanDerWaalsContact O-CG 3.31Å; L215-Q219 WeakPolarHBondContact O-CG 3.4Å; L215-Q219 PolarHBondContact O-N 2.91Å; V216-Q219 PolarHBondContact O-N 2.9Å; R217-Q219 VanDerWaalsContact C-N 3.29Å | ||
| 220 | A | 53.9 | Low | 80.2 | Confident | 140 Ų | 140 | 127.3 Ų | 127.3 | 100% | 1.157 | 65% | 0.652 | S | S | * | * | trans | -108.9 | 0 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 220 of 220 residues in 43.7 ms
(Link to these results)