| 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 | 23.3 | Very low | 30.7 | Very low | 234 Ų | 234 | 124 Ų | 124 | 100% | 1.153 | 62% | 0.624 | S | S | * | * | 0 | 97.1 | 0 | -82.7 | 171.6 | 161.4 | 0 | 0 | 107.8 | |||||
| 2 | F | 23.5 | Very low | 30.6 | Very low | 214 Ų | 214 | 122.7 Ų | 122.7 | 94% | 0.939 | 62% | 0.619 | S | S | * | * | trans | -135.7 | 98.5 | 170 | -75.2 | -73.8 | 0 | 0 | 0 | 107.1 | ||||
| 3 | S | 25.9 | Very low | 30.4 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | trans | -133.5 | 83.5 | 171.2 | -170.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 4 | Q | 29.9 | Very low | 30.1 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | trans | -126.9 | 98.4 | 158.4 | -85.3 | -176.6 | -14.3 | 0 | 0 | 105.5 | F6 | Q4-F6 PolarHBondContact O-N 3Š| ||
| 5 | D | 30.9 | Very low | 30 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | trans | -71.1 | 108 | 171 | -66.8 | -38.1 | 0 | 0 | 0 | 107 | F7 | D5-F7 PolarHBondContact O-N 3.08Š| ||
| 6 | F | 35.2 | Very low | 29.9 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 53% | 0.526 | 64% | 0.635 | S | S | . | * | trans | -73.4 | 114.8 | 171.5 | -67.6 | -82.9 | 0 | 0 | 0 | 108 | Q4 L8 | Q4-F6 PolarHBondContact O-N 3Å; F6-L8 PolarHBondContact O-N 2.8Å | ||
| 7 | F | 31.6 | Very low | 30 | Very low | 166 Ų | 166 | 123.7 Ų | 123.7 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 123 | 171.2 | -88.1 | -95.8 | 0 | 0 | 0 | 109.2 | D5 | D5-F7 PolarHBondContact O-N 3.08Š|
| 8 | L | 35.1 | Very low | 30 | Very low | 54 Ų | 54 | 123.8 Ų | 123.8 | 28% | 0.283 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -75.5 | 121.7 | 175.3 | -152 | 91.4 | 0 | 0 | 0 | 108.7 | F6 I10 L384 L387 C429 | F6-L8 PolarHBondContact O-N 2.8Å; L8-I10 HydrophobicContact CD2-CD1 4.06Å; L8-I10 HydrophobicContact CD2-CG1 3.84Å; L8-L384 HydrophobicContact CD1-CB 4.27Å; L8-L384 WeakPolarHBondContact CD1-O 3.37Å; L8-L387 HydrophobicContact CD2-CD2 4.2Å; L8-C429 HydrophobicContact CD2-CB 3.68Å |
| 9 | A | 34 | Very low | 30 | Very low | 43 Ų | 43 | 123.2 Ų | 123.2 | 36% | 0.355 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | F386 | A9-F386 HydrophobicContact CB-CD2 4.17Å; A9-F386 HydrophobicContact CB-CE2 4.08Å; A9-F386 WeakPolarHBondContact O-CD2 3.21Å; A9-F386 WeakPolarHBondContact O-CE2 3.37Å |
| 10 | I | 34.1 | Very low | 30.1 | Very low | 64 Ų | 64 | 126.1 Ų | 126.1 | 33% | 0.328 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.7 | 175.8 | -60.1 | 161.9 | 0 | 0 | 0 | 106.7 | L8 Q426 | L8-I10 HydrophobicContact CD2-CD1 4.06Å; L8-I10 HydrophobicContact CD2-CG1 3.84Å; I10-Q426 HydrophobicContact CD1-CG 3.88Å |
| 11 | I | 34.3 | Very low | 30.1 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 48% | 0.482 | 67% | 0.671 | S | S | . | * | trans | -122.6 | 112.3 | 170.6 | -58.9 | -178.8 | 0 | 0 | 0 | 107.4 | V334 | I11-V334 HydrophobicContact CB-CG2 4.45Š| ||
| 12 | L | 28.8 | Very low | 30.4 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | trans | -89.7 | 112.3 | 163.6 | -64.1 | 174.5 | 0 | 0 | 0 | 106.6 | D14 | L12-D14 PolarHBondContact O-N 2.75Š| ||
| 13 | Q | 27.9 | Very low | 30.8 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 66% | 0.664 | 64% | 0.638 | S | S | * | * | trans | -86.1 | 91.4 | 176.2 | -158.1 | 169.9 | 7 | 0 | 0 | 107.8 | ||||
| 14 | D | 26.2 | Very low | 31 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 77% | 0.77 | 64% | 0.635 | S | S | * | * | trans | -80.2 | 121.4 | 169.6 | -158.6 | -3.2 | 0 | 0 | 0 | 108.4 | L12 S16 | L12-D14 PolarHBondContact O-N 2.75Å; D14-S16 PolarHBondContact O-N 2.71Å | ||
| 15 | N | 29.8 | Very low | 31.2 | Very low | 160 Ų | 160 | 118.9 Ų | 118.9 | 86% | 0.856 | 64% | 0.635 | S | S | * | * | trans | -89.2 | 55.6 | -170.1 | -146.7 | 20.8 | 0 | 0 | 0 | 110.8 | ||||
| 16 | S | 27.8 | Very low | 31.1 | Very low | 63 Ų | 63 | 123.1 Ų | 123.1 | 44% | 0.441 | 65% | 0.649 | S | S | . | * | trans | -105.7 | 131.1 | 174.5 | 163.9 | 0 | 0 | 0 | 0 | 109.6 | D14 D18 | D14-S16 PolarHBondContact O-N 2.71Å; S16-D18 PolarHBondContact O-N 2.65Å; S16-D18 VanDerWaalsContact O-N 3.09Å | ||
| 17 | P | 31.7 | Very low | 30.9 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -72.9 | 6.7 | -178.1 | 29.6 | -32.9 | 0 | 0 | 0 | 114.8 | ||
| 18 | D | 29.3 | Very low | 31.2 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 67% | 0.668 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -103.9 | 91.4 | 173.3 | -71.9 | -33.7 | 0 | 0 | 0 | 110.7 | S16 F20 | S16-D18 PolarHBondContact O-N 2.65Å; S16-D18 VanDerWaalsContact O-N 3.09Å; D18-F20 PolarHBondContact O-N 3.04Å; D18-F20 VanDerWaalsContact O-N 3.16Å |
| 19 | S | 30.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 67% | 0.669 | S | S | * | * | trans | -66 | 104.9 | -175.6 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | W21 | S19-W21 VanDerWaalsContact C-N 3.31Å; S19-W21 PolarHBondContact O-N 2.92Å | ||
| 20 | F | 31.9 | Very low | 32.4 | Very low | 180 Ų | 180 | 127 Ų | 127 | 79% | 0.789 | 68% | 0.683 | S | S | * | * | trans | -90.5 | 32.5 | 170.5 | -93.6 | -86.3 | 0 | 0 | 0 | 113.9 | D18 | D18-F20 PolarHBondContact O-N 3.04Å; D18-F20 VanDerWaalsContact O-N 3.16Å | ||
| 21 | W | 30.8 | Very low | 33.6 | Very low | 235 Ų | 235 | 130.4 Ų | 130.4 | 89% | 0.89 | 70% | 0.702 | S | S | * | * | trans | -121.8 | 85 | 170.6 | -65 | 104.5 | 0 | 0 | 0 | 109.6 | S19 P23 | S19-W21 VanDerWaalsContact C-N 3.31Å; S19-W21 PolarHBondContact O-N 2.92Å; W21-P23 WeakPolarHBondContact O-CD 3.3Å | ||
| 22 | N | 30.2 | Very low | 35.2 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 64% | 0.642 | 69% | 0.686 | S | S | * | * | trans | -73.1 | 123.5 | 166.7 | -162.8 | -8.1 | 0 | 0 | 0 | 108.1 | N24 | N22-N24 PolarHBondContact O-N 3.23Š| ||
| 23 | P | 31.6 | Very low | 37.2 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 76% | 0.76 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 2.8 | -175.9 | -20.5 | 32.3 | 0 | 0 | 0 | 115.9 | W21 | W21-P23 WeakPolarHBondContact O-CD 3.3Š|
| 24 | N | 29.8 | Very low | 38.9 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 65% | 0.652 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 13.3 | -172.6 | -71.9 | -12.9 | 0 | 0 | 0 | 115 | N22 F26 | N22-N24 PolarHBondContact O-N 3.23Å; N24-F26 PolarHBondContact O-N 2.89Å |
| 25 | A | 33.9 | Very low | 40.7 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 16 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 26 | F | 28.8 | Very low | 42.8 | Very low | 203 Ų | 203 | 112.2 Ų | 112.2 | 89% | 0.89 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 30.8 | 175.5 | -85.3 | -81 | 0 | 0 | 0 | 113 | N24 T28 | N24-F26 PolarHBondContact O-N 2.89Å; F26-T28 PolarHBondContact O-N 3.34Å |
| 27 | E | 32.3 | Very low | 45.1 | Very low | 173 Ų | 173 | 112.8 Ų | 112.8 | 81% | 0.808 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -77.8 | 112.2 | 155.8 | -77.6 | -173.3 | 163.7 | 0 | 0 | 108.5 | D29 | E27-D29 PolarHBondContact O-N 3.26Š|
| 28 | T | 36.2 | Very low | 47.4 | Very low | 122 Ų | 122 | 112.1 Ų | 112.1 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | trans | -42.7 | 109.4 | 173 | 30.8 | 0 | 0 | 0 | 0 | 111.5 | F26 S30 | F26-T28 PolarHBondContact O-N 3.34Å; T28-S30 PolarHBondContact O-N 3.01Å; T28-S30 PolarHBondContact O-OG 3.2Å | ||
| 29 | D | 46.4 | Very low | 49.6 | Very low | 77 Ų | 77 | 107.8 Ų | 107.8 | 41% | 0.412 | 59% | 0.587 | S | S | . | * | trans | -69.6 | 75.8 | 173.9 | -135.2 | -6 | 0 | 0 | 0 | 108.7 | E27 D31 L32 R38 | E27-D29 PolarHBondContact O-N 3.26Å; D29-D31 VanDerWaalsContact C-N 3.29Å; D29-L32 VanDerWaalsContact OD2-CD1 3.27Å; D29-L32 WeakPolarHBondContact OD2-CD1 3.3Å; D29-R38 IonicContact OD1-CZ 2.77Å; D29-R38 IonicContact OD1-NH1 3.77Å; D29-R38 IonicContact OD1-NH2 3.55Å | ||
| 30 | S | 49 | Very low | 51.6 | Low | 92 Ų | 92 | 109.9 Ų | 109.9 | 64% | 0.643 | 58% | 0.584 | S | S | * | * | trans | -84.8 | -8.2 | -173.7 | -44.7 | 0 | 0 | 0 | 0 | 112.2 | T28 | T28-S30 PolarHBondContact O-N 3.01Å; T28-S30 PolarHBondContact O-OG 3.2Å | ||
| 31 | D | 59.3 | Low | 53.3 | Low | 136 Ų | 136 | 104.5 Ų | 104.5 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -108.9 | 0.2 | -167.3 | -63.2 | -23.4 | 0 | 0 | 0 | 113.1 | D29 | D29-D31 VanDerWaalsContact C-N 3.29Š|
| 32 | L | 68.4 | Low | 54.8 | Low | 27 Ų | 27 | 100.4 Ų | 100.4 | 14% | 0.141 | 57% | 0.565 | C | S | . | * | S | Bend | trans | -105 | 137.6 | 179.4 | -66.1 | -178.9 | 0 | 0 | 0 | 111.8 | D29 W36 R38 Y47 | D29-L32 VanDerWaalsContact OD2-CD1 3.27Å; D29-L32 WeakPolarHBondContact OD2-CD1 3.3Å; L32-W36 HydrophobicContact CB-CB 4.27Å; L32-R38 HydrophobicContact CD1-CB 4.02Å; L32-Y47 HydrophobicContact CD1-CD1 4.23Å; L32-Y47 HydrophobicContact CD1-CE1 4.38Å; L32-Y47 HydrophobicContact CD2-CD1 3.84Å; L32-Y47 HydrophobicContact CD2-CE1 3.8Å |
| 33 | P | 70.9 | Confident | 56.1 | Low | 56 Ų | 56 | 98.6 Ų | 98.6 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | trans | -60 | 153.7 | 173.3 | -18.4 | 29.6 | 0 | 0 | 0 | 111.7 | G35 W36 P60 | P33-G35 PolarHBondContact O-N 2.7Å; P33-W36 WeakPolarHBondContact O-CB 3.02Å; P33-W36 PolarHBondContact O-N 2.8Å; P33-W36 VanDerWaalsContact O-N 3.09Å; P33-P60 VanDerWaalsContact CD-O 3.28Å; P33-P60 WeakPolarHBondContact CD-O 3.45Å; P33-P60 HydrophobicContact CG-CB 4.14Å | ||
| 34 | A | 63.6 | Low | 57.9 | Low | 100 Ų | 100 | 94.3 Ų | 94.3 | 83% | 0.826 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 130.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 35 | G | 64.1 | Low | 60.3 | Low | 30 Ų | 30 | 90.9 Ų | 90.9 | 31% | 0.309 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -3.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P33 H49 I50 P51 | P33-G35 PolarHBondContact O-N 2.7Å; G35-H49 CarbonylContact O-C 3.52Å; G35-H49 WeakPolarHBondContact O-CA 3.35Å; G35-H49 PolarHBondContact O-CD2 3.14Å; G35-I50 PolarHBondContact O-N 2.82Å; G35-P51 WeakPolarHBondContact O-CD 3.5Å |
| 36 | W | 73.3 | Confident | 62.2 | Low | 53 Ų | 53 | 89.3 Ų | 89.3 | 20% | 0.201 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 141.5 | 175 | -68.3 | 87 | 0 | 0 | 0 | 112.1 | L32 P33 W48 H49 Q56 P60 | L32-W36 HydrophobicContact CB-CB 4.27Å; P33-W36 WeakPolarHBondContact O-CB 3.02Å; P33-W36 PolarHBondContact O-N 2.8Å; P33-W36 VanDerWaalsContact O-N 3.09Å; W36-W48 WeakPolarHBondContact CA-O 3.38Å; W36-H49 AromaticContact CD1-CD2 3.43Å; W36-H49 VanDerWaalsContact CD1-CD2 3.43Å; W36-H49 HydrophobicContact CD2-CB 3.8Å; W36-H49 AromaticContact CD2-CD2 3.68Å; W36-H49 AromaticContact CE2-CD2 3.39Å; W36-H49 AromaticContact CE2-CG 3.72Å; W36-H49 HydrophobicContact CE3-CB 3.68Å; W36-H49 AromaticContact CG-CD2 3.77Å; W36-H49 HydrophobicContact CH2-CB 3.71Å; W36-H49 HydrophobicContact CZ2-CB 3.79Å; W36-H49 AromaticContact CZ2-CD2 4Å; W36-H49 AromaticContact CZ2-CG 3.89Å; W36-H49 HydrophobicContact CZ3-CB 3.65Å; W36-H49 AromaticContact NE1-CD2 3.18Å; W36-H49 PolarHBondContact NE1-CD2 2.79Å; W36-H49 AromaticContact NE1-CG 3.96Å; W36-H49 AromaticContact NE1-NE2 3.73Å; W36-Q56 HydrophobicContact CH2-CG 4.18Å; W36-Q56 HydrophobicContact CZ3-CG 3.76Å; W36-P60 HydrophobicContact CB-CG 4.04Å; W36-P60 HydrophobicContact CD2-CB 3.6Å; W36-P60 HydrophobicContact CD2-CG 3.17Å; W36-P60 HydrophobicContact CE3-CB 3.99Å; W36-P60 HydrophobicContact CE3-CG 3.12Å; W36-P60 HydrophobicContact CG-CB 3.92Å; W36-P60 HydrophobicContact CG-CG 3.62Å; W36-P60 HydrophobicContact CH2-CB 4.39Å; W36-P60 HydrophobicContact CH2-CG 4.14Å; W36-P60 HydrophobicContact CZ2-CB 4.07Å; W36-P60 HydrophobicContact CZ2-CG 4.21Å; W36-P60 HydrophobicContact CZ3-CB 4.36Å; W36-P60 HydrophobicContact CZ3-CG 3.63Å |
| 37 | M | 75.9 | Confident | 64.7 | Low | 74 Ų | 74 | 80.7 Ų | 80.7 | 37% | 0.365 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.8 | 177.1 | -178.5 | 165.3 | 67.9 | 0 | 0 | 109.8 | V39 Y47 W48 I50 | M37-V39 HydrophobicContact CE-CG2 4.07Å; M37-V39 HydrophobicContact CG-CG2 4.31Å; M37-Y47 CarbonylContact O-C 3.6Å; M37-Y47 WeakPolarHBondContact O-CA 3.27Å; M37-W48 HydrophobicContact CE-CE3 3.41Å; M37-W48 VanDerWaalsContact CE-CE3 3.41Å; M37-W48 HydrophobicContact CE-CZ3 3.68Å; M37-W48 PolarHBondContact N-O 2.68Å; M37-W48 PolarHBondContact O-N 3.32Å; M37-I50 HydrophobicContact CB-CD1 4.11Å; M37-I50 HydrophobicContact CB-CG1 4.46Å; M37-I50 HydrophobicContact CE-CD1 4.42Å; M37-I50 HydrophobicContact SD-CD1 4.46Å |
| 38 | R | 79.3 | Confident | 66.5 | Low | 108 Ų | 108 | 76.9 Ų | 76.9 | 41% | 0.408 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.3 | 168.9 | -174 | -174.1 | -64.2 | 132 | 11.4 | 109.1 | D29 L32 T45 Y47 | D29-R38 IonicContact OD1-CZ 2.77Å; D29-R38 IonicContact OD1-NH1 3.77Å; D29-R38 IonicContact OD1-NH2 3.55Å; L32-R38 HydrophobicContact CD1-CB 4.02Å; R38-T45 HydrophobicContact CG-CG2 3.37Å; R38-Y47 HydrophobicContact CB-CD1 4.03Å; R38-Y47 HydrophobicContact CB-CE1 3.82Å; R38-Y47 HydrophobicContact CG-CD1 4.27Å; R38-Y47 HydrophobicContact CG-CE1 3.74Å; R38-Y47 PolarHBondContact NE-OH 2.93Å |
| 39 | V | 76.8 | Confident | 68.2 | Low | 34 Ų | 34 | 72.7 Ų | 72.7 | 21% | 0.206 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.2 | 177.8 | -171.5 | 0 | 0 | 0 | 0 | 108.4 | M37 T45 Y46 W48 | M37-V39 HydrophobicContact CE-CG2 4.07Å; M37-V39 HydrophobicContact CG-CG2 4.31Å; V39-T45 CarbonylContact O-C 3.56Å; V39-T45 WeakPolarHBondContact O-CA 3.22Å; V39-Y46 HydrophobicContact CB-CD1 4.26Å; V39-Y46 HydrophobicContact CB-CD2 4.13Å; V39-Y46 HydrophobicContact CB-CE1 3.88Å; V39-Y46 HydrophobicContact CB-CE2 3.75Å; V39-Y46 HydrophobicContact CB-CG 4.39Å; V39-Y46 HydrophobicContact CG1-CD1 4.49Å; V39-Y46 HydrophobicContact CG1-CE1 3.68Å; V39-Y46 HydrophobicContact CG1-CE2 4.04Å; V39-Y46 VanDerWaalsContact CG1-CZ 3.42Å; V39-Y46 WeakPolarHBondContact CG1-OH 3.42Å; V39-Y46 HydrophobicContact CG2-CE2 4.09Å; V39-Y46 PolarHBondContact N-O 3.24Å; V39-Y46 PolarHBondContact O-N 2.77Å; V39-W48 HydrophobicContact CG2-CB 4.21Å |
| 40 | Q | 72 | Confident | 68.8 | Low | 158 Ų | 158 | 73.4 Ų | 73.4 | 74% | 0.738 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.4 | 179.1 | -170.1 | 171.9 | 6.6 | 0 | 0 | 109.3 | G44 | Q40-G44 WeakPolarHBondContact CA-O 3.5Å |
| 41 | D | 66.7 | Low | 68.7 | Low | 66 Ų | 66 | 73.5 Ų | 73.5 | 35% | 0.353 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | -173.1 | 178.7 | 71.6 | 12 | 0 | 0 | 0 | 111.6 | S43 G44 Y46 | D41-S43 VanDerWaalsContact CG-OG 3.23Å; D41-S43 PolarHBondContact O-N 3.3Å; D41-S43 VanDerWaalsContact OD1-CA 3.29Å; D41-S43 WeakPolarHBondContact OD1-CA 3.43Å; D41-S43 WeakPolarHBondContact OD1-CB 3.38Å; D41-S43 PolarHBondContact OD1-N 2.97Å; D41-S43 PolarHBondContact OD1-OG 3.09Å; D41-S43 PolarHBondContact OD2-OG 2.99Å; D41-G44 PolarHBondContact N-O 2.9Å; D41-G44 PolarHBondContact O-N 2.93Å; D41-G44 PolarHBondContact OD1-N 3.28Å; D41-Y46 HydrophobicContact CB-CE1 4.28Å; D41-Y46 VanDerWaalsContact OD2-CE1 3.3Å; D41-Y46 WeakPolarHBondContact OD2-CE1 3.32Å |
| 42 | T | 62.2 | Low | 68.2 | Low | 149 Ų | 149 | 71.2 Ų | 71.2 | 91% | 0.914 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.6 | 178.6 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 43 | S | 58.9 | Low | 67.8 | Low | 82 Ų | 82 | 72.1 Ų | 72.1 | 57% | 0.573 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -12.2 | -178.7 | 69.3 | 0 | 0 | 0 | 0 | 113.8 | D41 W57 | D41-S43 VanDerWaalsContact CG-OG 3.23Å; D41-S43 PolarHBondContact O-N 3.3Å; D41-S43 VanDerWaalsContact OD1-CA 3.29Å; D41-S43 WeakPolarHBondContact OD1-CA 3.43Å; D41-S43 WeakPolarHBondContact OD1-CB 3.38Å; D41-S43 PolarHBondContact OD1-N 2.97Å; D41-S43 PolarHBondContact OD1-OG 3.09Å; D41-S43 PolarHBondContact OD2-OG 2.99Å; S43-W57 WeakPolarHBondContact OG-CH2 2.82Å |
| 44 | G | 67.4 | Low | 67.4 | Low | 28 Ų | 28 | 72.9 Ų | 72.9 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.9 | -160.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q40 D41 | Q40-G44 WeakPolarHBondContact CA-O 3.5Å; D41-G44 PolarHBondContact N-O 2.9Å; D41-G44 PolarHBondContact O-N 2.93Å; D41-G44 PolarHBondContact OD1-N 3.28Å |
| 45 | T | 81.3 | Confident | 68 | Low | 50 Ų | 50 | 72.3 Ų | 72.3 | 31% | 0.307 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122.4 | 173.6 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | R38 V39 Y47 | R38-T45 HydrophobicContact CG-CG2 3.37Å; V39-T45 CarbonylContact O-C 3.56Å; V39-T45 WeakPolarHBondContact O-CA 3.22Å; T45-Y47 HydrophobicContact CG2-CE2 4.35Å |
| 46 | Y | 74.5 | Confident | 68.6 | Low | 58 Ų | 58 | 73.6 Ų | 73.6 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 162.2 | 171.7 | 66.9 | -84.9 | 0 | 0 | 0 | 110.9 | V39 D41 T55 Q56 W57 | V39-Y46 HydrophobicContact CB-CD1 4.26Å; V39-Y46 HydrophobicContact CB-CD2 4.13Å; V39-Y46 HydrophobicContact CB-CE1 3.88Å; V39-Y46 HydrophobicContact CB-CE2 3.75Å; V39-Y46 HydrophobicContact CB-CG 4.39Å; V39-Y46 HydrophobicContact CG1-CD1 4.49Å; V39-Y46 HydrophobicContact CG1-CE1 3.68Å; V39-Y46 HydrophobicContact CG1-CE2 4.04Å; V39-Y46 VanDerWaalsContact CG1-CZ 3.42Å; V39-Y46 WeakPolarHBondContact CG1-OH 3.42Å; V39-Y46 HydrophobicContact CG2-CE2 4.09Å; V39-Y46 PolarHBondContact N-O 3.24Å; V39-Y46 PolarHBondContact O-N 2.77Å; D41-Y46 HydrophobicContact CB-CE1 4.28Å; D41-Y46 VanDerWaalsContact OD2-CE1 3.3Å; D41-Y46 WeakPolarHBondContact OD2-CE1 3.32Å; Y46-T55 HydrophobicContact CD2-CG2 4.26Å; Y46-T55 HydrophobicContact CE2-CG2 4.25Å; Y46-Q56 CarbonylContact C-O 3.57Å; Y46-Q56 WeakPolarHBondContact CA-O 3.37Å; Y46-Q56 WeakPolarHBondContact CB-O 3.43Å; Y46-W57 HydrophobicContact CD1-CH2 4.21Å; Y46-W57 HydrophobicContact CD1-CZ3 4.12Å; Y46-W57 HydrophobicContact CG-CZ3 4.39Å |
| 47 | Y | 81.1 | Confident | 69 | Low | 21 Ų | 21 | 77.8 Ų | 77.8 | 8% | 0.082 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128 | -176.5 | -60.8 | -91.5 | 0 | 0 | 0 | 109 | L32 M37 R38 T45 T55 Q56 W57 E58 P59 P60 | L32-Y47 HydrophobicContact CD1-CD1 4.23Å; L32-Y47 HydrophobicContact CD1-CE1 4.38Å; L32-Y47 HydrophobicContact CD2-CD1 3.84Å; L32-Y47 HydrophobicContact CD2-CE1 3.8Å; M37-Y47 CarbonylContact O-C 3.6Å; M37-Y47 WeakPolarHBondContact O-CA 3.27Å; R38-Y47 HydrophobicContact CB-CD1 4.03Å; R38-Y47 HydrophobicContact CB-CE1 3.82Å; R38-Y47 HydrophobicContact CG-CD1 4.27Å; R38-Y47 HydrophobicContact CG-CE1 3.74Å; R38-Y47 PolarHBondContact NE-OH 2.93Å; T45-Y47 HydrophobicContact CG2-CE2 4.35Å; Y47-T55 CarbonylContact O-C 3.57Å; Y47-T55 WeakPolarHBondContact O-CA 3.48Å; Y47-Q56 PolarHBondContact N-O 3.07Å; Y47-Q56 PolarHBondContact O-N 3.23Å; Y47-W57 WeakPolarHBondContact CE2-O 3.33Å; Y47-E58 WeakPolarHBondContact CD2-O 3.44Å; Y47-P59 HydrophobicContact CE1-CB 4.11Å; Y47-P59 HydrophobicContact CE2-CB 3.97Å; Y47-P59 HydrophobicContact CE2-CG 3.8Å; Y47-P60 HydrophobicContact CD1-CG 4.43Å; Y47-P60 HydrophobicContact CG-CG 4.33Å |
| 48 | W | 70.1 | Confident | 69 | Low | 93 Ų | 93 | 80.2 Ų | 80.2 | 35% | 0.352 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.4 | -176.5 | -178.7 | 37.3 | 0 | 0 | 0 | 110.4 | W36 M37 V39 I50 T55 | W36-W48 WeakPolarHBondContact CA-O 3.38Å; M37-W48 HydrophobicContact CE-CE3 3.41Å; M37-W48 VanDerWaalsContact CE-CE3 3.41Å; M37-W48 HydrophobicContact CE-CZ3 3.68Å; M37-W48 PolarHBondContact N-O 2.68Å; M37-W48 PolarHBondContact O-N 3.32Å; V39-W48 HydrophobicContact CG2-CB 4.21Å; W48-I50 HydrophobicContact CD2-CG1 4.44Å; W48-I50 HydrophobicContact CE3-CG1 4.29Å; W48-I50 HydrophobicContact CZ3-CG1 4.49Å; W48-I50 PolarHBondContact O-N 3.49Å; W48-T55 HydrophobicContact CB-CG2 4.33Å; W48-T55 HydrophobicContact CG-CG2 4.19Å |
| 49 | H | 70.8 | Confident | 68.9 | Low | 34 Ų | 34 | 77.2 Ų | 77.2 | 16% | 0.157 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 101.2 | 173.1 | -168.3 | -123 | 0 | 0 | 0 | 109.8 | G35 W36 T52 G53 T54 | G35-H49 CarbonylContact O-C 3.52Å; G35-H49 WeakPolarHBondContact O-CA 3.35Å; G35-H49 PolarHBondContact O-CD2 3.14Å; W36-H49 AromaticContact CD1-CD2 3.43Å; W36-H49 VanDerWaalsContact CD1-CD2 3.43Å; W36-H49 HydrophobicContact CD2-CB 3.8Å; W36-H49 AromaticContact CD2-CD2 3.68Å; W36-H49 AromaticContact CE2-CD2 3.39Å; W36-H49 AromaticContact CE2-CG 3.72Å; W36-H49 HydrophobicContact CE3-CB 3.68Å; W36-H49 AromaticContact CG-CD2 3.77Å; W36-H49 HydrophobicContact CH2-CB 3.71Å; W36-H49 HydrophobicContact CZ2-CB 3.79Å; W36-H49 AromaticContact CZ2-CD2 4Å; W36-H49 AromaticContact CZ2-CG 3.89Å; W36-H49 HydrophobicContact CZ3-CB 3.65Å; W36-H49 AromaticContact NE1-CD2 3.18Å; W36-H49 PolarHBondContact NE1-CD2 2.79Å; W36-H49 AromaticContact NE1-CG 3.96Å; W36-H49 AromaticContact NE1-NE2 3.73Å; H49-T52 WeakPolarHBondContact ND1-CG2 3.23Å; H49-T52 PolarHBondContact ND1-OG1 2.83Å; H49-T52 PolarHBondContact O-N 2.84Å; H49-G53 WeakPolarHBondContact O-CA 3.5Å; H49-G53 PolarHBondContact O-N 2.83Å; H49-T54 PolarHBondContact N-O 2.84Å; H49-T54 PolarHBondContact O-N 2.84Å |
| 50 | I | 58.6 | Low | 68.4 | Low | 92 Ų | 92 | 76.1 Ų | 76.1 | 47% | 0.472 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -41.7 | -172.3 | -56.8 | 168.9 | 0 | 0 | 0 | 112.4 | G35 M37 W48 T52 | G35-I50 PolarHBondContact O-N 2.82Å; M37-I50 HydrophobicContact CB-CD1 4.11Å; M37-I50 HydrophobicContact CB-CG1 4.46Å; M37-I50 HydrophobicContact CE-CD1 4.42Å; M37-I50 HydrophobicContact SD-CD1 4.46Å; W48-I50 HydrophobicContact CD2-CG1 4.44Å; W48-I50 HydrophobicContact CE3-CG1 4.29Å; W48-I50 HydrophobicContact CZ3-CG1 4.49Å; W48-I50 PolarHBondContact O-N 3.49Å; I50-T52 PolarHBondContact O-N 2.93Å |
| 51 | P | 48.5 | Very low | 68 | Low | 94 Ų | 94 | 72.2 Ų | 72.2 | 61% | 0.61 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -29.2 | -179.1 | -22.3 | 34.4 | 0 | 0 | 0 | 115.1 | G35 | G35-P51 WeakPolarHBondContact O-CD 3.5Š|
| 52 | T | 48.3 | Very low | 67.2 | Low | 88 Ų | 88 | 79.1 Ų | 79.1 | 54% | 0.54 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -9.4 | -175.8 | 65 | 0 | 0 | 0 | 0 | 113.5 | H49 I50 T54 | H49-T52 WeakPolarHBondContact ND1-CG2 3.23Å; H49-T52 PolarHBondContact ND1-OG1 2.83Å; H49-T52 PolarHBondContact O-N 2.84Å; I50-T52 PolarHBondContact O-N 2.93Å; T52-T54 PolarHBondContact O-N 2.85Å; T52-T54 WeakPolarHBondContact OG1-CB 2.97Å; T52-T54 PolarHBondContact OG1-OG1 3.24Å |
| 53 | G | 59.7 | Low | 66 | Low | 47 Ų | 47 | 76.5 Ų | 76.5 | 49% | 0.485 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 10.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H49 | H49-G53 WeakPolarHBondContact O-CA 3.5Å; H49-G53 PolarHBondContact O-N 2.83Å |
| 54 | T | 61.8 | Low | 64.6 | Low | 71 Ų | 71 | 77.8 Ų | 77.8 | 44% | 0.436 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 135.2 | -174.9 | -49 | 0 | 0 | 0 | 0 | 111.2 | H49 T52 | H49-T54 PolarHBondContact N-O 2.84Å; H49-T54 PolarHBondContact O-N 2.84Å; T52-T54 PolarHBondContact O-N 2.85Å; T52-T54 WeakPolarHBondContact OG1-CB 2.97Å; T52-T54 PolarHBondContact OG1-OG1 3.24Å |
| 55 | T | 76.9 | Confident | 63 | Low | 89 Ų | 89 | 82 Ų | 82 | 55% | 0.546 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 141.7 | 175.7 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | Y46 Y47 W48 | Y46-T55 HydrophobicContact CD2-CG2 4.26Å; Y46-T55 HydrophobicContact CE2-CG2 4.25Å; Y47-T55 CarbonylContact O-C 3.57Å; Y47-T55 WeakPolarHBondContact O-CA 3.48Å; W48-T55 HydrophobicContact CB-CG2 4.33Å; W48-T55 HydrophobicContact CG-CG2 4.19Å |
| 56 | Q | 76.9 | Confident | 60.6 | Low | 56 Ų | 56 | 84.9 Ų | 84.9 | 26% | 0.262 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 154.7 | 175.9 | 62.9 | -176.5 | 60.6 | 0 | 0 | 111.2 | W36 Y46 Y47 E58 | W36-Q56 HydrophobicContact CH2-CG 4.18Å; W36-Q56 HydrophobicContact CZ3-CG 3.76Å; Y46-Q56 CarbonylContact C-O 3.57Å; Y46-Q56 WeakPolarHBondContact CA-O 3.37Å; Y46-Q56 WeakPolarHBondContact CB-O 3.43Å; Y47-Q56 PolarHBondContact N-O 3.07Å; Y47-Q56 PolarHBondContact O-N 3.23Å; Q56-E58 WeakPolarHBondContact CG-O 3.46Å; Q56-E58 PolarHBondContact NE2-O 2.89Å |
| 57 | W | 81.7 | Confident | 58.6 | Low | 142 Ų | 142 | 91.5 Ų | 91.5 | 54% | 0.538 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -86.7 | -23 | 179.3 | -64.5 | 98.8 | 0 | 0 | 0 | 112 | S43 Y46 Y47 | S43-W57 WeakPolarHBondContact OG-CH2 2.82Å; Y46-W57 HydrophobicContact CD1-CH2 4.21Å; Y46-W57 HydrophobicContact CD1-CZ3 4.12Å; Y46-W57 HydrophobicContact CG-CZ3 4.39Å; Y47-W57 WeakPolarHBondContact CE2-O 3.33Å |
| 58 | E | 75.9 | Confident | 56.3 | Low | 125 Ų | 125 | 94 Ų | 94 | 58% | 0.584 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -85.5 | 146.6 | 178.8 | -60.3 | 76.6 | -164.2 | 0 | 0 | 112.8 | Y47 Q56 P60 | Y47-E58 WeakPolarHBondContact CD2-O 3.44Å; Q56-E58 WeakPolarHBondContact CG-O 3.46Å; Q56-E58 PolarHBondContact NE2-O 2.89Å; E58-P60 WeakPolarHBondContact O-CD 3.43Å |
| 59 | P | 77.6 | Confident | 54.4 | Low | 45 Ų | 45 | 95.5 Ų | 95.5 | 29% | 0.292 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -66 | 127.1 | 175.2 | -13.9 | 25.6 | 0 | 0 | 0 | 111.9 | Y47 G61 | Y47-P59 HydrophobicContact CE1-CB 4.11Å; Y47-P59 HydrophobicContact CE2-CB 3.97Å; Y47-P59 HydrophobicContact CE2-CG 3.8Å; P59-G61 PolarHBondContact O-N 2.78Å |
| 60 | P | 65.5 | Low | 52.4 | Low | 11 Ų | 11 | 99.3 Ų | 99.3 | 7% | 0.071 | 61% | 0.611 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | 129.5 | 173.8 | -6.8 | 18 | 0 | 0 | 0 | 109.9 | P33 W36 Y47 E58 | P33-P60 VanDerWaalsContact CD-O 3.28Å; P33-P60 WeakPolarHBondContact CD-O 3.45Å; P33-P60 HydrophobicContact CG-CB 4.14Å; W36-P60 HydrophobicContact CB-CG 4.04Å; W36-P60 HydrophobicContact CD2-CB 3.6Å; W36-P60 HydrophobicContact CD2-CG 3.17Å; W36-P60 HydrophobicContact CE3-CB 3.99Å; W36-P60 HydrophobicContact CE3-CG 3.12Å; W36-P60 HydrophobicContact CG-CB 3.92Å; W36-P60 HydrophobicContact CG-CG 3.62Å; W36-P60 HydrophobicContact CH2-CB 4.39Å; W36-P60 HydrophobicContact CH2-CG 4.14Å; W36-P60 HydrophobicContact CZ2-CB 4.07Å; W36-P60 HydrophobicContact CZ2-CG 4.21Å; W36-P60 HydrophobicContact CZ3-CB 4.36Å; W36-P60 HydrophobicContact CZ3-CG 3.63Å; Y47-P60 HydrophobicContact CD1-CG 4.43Å; Y47-P60 HydrophobicContact CG-CG 4.33Å; E58-P60 WeakPolarHBondContact O-CD 3.43Å |
| 61 | G | 63.9 | Low | 51.5 | Low | 75 Ų | 75 | 100.8 Ų | 100.8 | 77% | 0.773 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.9 | 1.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | P59 A63 | P59-G61 PolarHBondContact O-N 2.78Å; G61-A63 PolarHBondContact O-N 2.72Å |
| 62 | R | 49.1 | Very low | 50.5 | Low | 211 Ų | 211 | 104.4 Ų | 104.4 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | trans | -79.4 | 98.1 | 166.6 | -92.7 | -173.8 | 177.6 | -172.7 | 0.4 | 110.9 | S64 | R62-S64 PolarHBondContact O-N 2.95Š| ||
| 63 | A | 36.7 | Very low | 49.6 | Very low | 94 Ų | 94 | 107.1 Ų | 107.1 | 78% | 0.777 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 116.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | G61 | G61-A63 PolarHBondContact O-N 2.72Š|
| 64 | S | 30.9 | Very low | 48 | Very low | 110 Ų | 110 | 112.7 Ų | 112.7 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 132.1 | 175 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | R62 | R62-S64 PolarHBondContact O-N 2.95Š|
| 65 | P | 32.9 | Very low | 46.2 | Very low | 116 Ų | 116 | 114 Ų | 114 | 75% | 0.753 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 128.9 | 168.6 | 29.4 | -29.4 | 0 | 0 | 0 | 109.2 | ||
| 66 | S | 32.3 | Very low | 43.7 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | trans | 62.5 | 105.5 | 166.6 | 63.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 67 | Q | 31.9 | Very low | 41.4 | Very low | 197 Ų | 197 | 121 Ų | 121 | 92% | 0.921 | 70% | 0.697 | S | S | * | * | -147.6 | 128 | 98.2 | -73.5 | -150.3 | -20.4 | 0 | 0 | 108.4 | |||||
| 68 | G | 33.3 | Very low | 38.6 | Very low | 74 Ų | 74 | 119.4 Ų | 119.4 | 76% | 0.763 | 70% | 0.704 | S | S | * | * | trans | -72.8 | 141.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 69 | S | 30.3 | Very low | 36.2 | Very low | 125 Ų | 125 | 124 Ų | 124 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | trans | -169.6 | 141.8 | 139.3 | -75.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 70 | S | 28.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | -59.6 | 164.3 | -170 | 39.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 71 | P | 38.5 | Very low | 31.8 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -90.4 | 147.9 | -171.9 | 36.1 | -31.3 | 0 | 0 | 0 | 112.8 | ||||
| 72 | Q | 28.1 | Very low | 29.9 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -152.3 | 128.1 | 152.4 | -131.3 | -178.1 | -45.2 | 0 | 0 | 112.8 | ||||
| 73 | E | 28.1 | Very low | 28.8 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | 43.7 | 126.8 | 150.6 | -87.9 | 164.7 | 127.3 | 0 | 0 | 123.4 | ||||
| 74 | E | 26 | Very low | 28.3 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | 36.3 | 132.9 | 128.7 | -108.9 | 176.7 | 126.8 | 0 | 0 | 118.9 | |||||
| 75 | S | 25.1 | Very low | 28.1 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | 177.6 | 145 | 56.9 | 26.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 76 | Q | 24.3 | Very low | 27.8 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | 17.6 | 127.4 | 138.8 | -85.8 | -166 | 32 | 0 | 0 | 122.3 | ||||
| 77 | L | 28.3 | Very low | 27.5 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | 99.5 | 123.7 | 133.4 | -65.6 | 163.7 | 0 | 0 | 0 | 120.2 | ||||
| 78 | T | 23.8 | Very low | 27.2 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | 65.8 | 154.7 | 134 | 56.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 79 | W | 23.9 | Very low | 26.9 | Very low | 222 Ų | 222 | 139.4 Ų | 139.4 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | cis | -157.7 | 177.3 | -1.9 | -116.1 | 109.8 | 0 | 0 | 0 | 105.1 | ||||
| 80 | T | 28 | Very low | 26.7 | Very low | 102 Ų | 102 | 142 Ų | 142 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | trans | -40.1 | 145.3 | 173 | 51.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 81 | G | 23.3 | Very low | 26.6 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | trans | 70.6 | 151.8 | 138.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 82 | F | 24.8 | Very low | 26.1 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | cis | -163.5 | 168 | 18.2 | -89.9 | -90 | 0 | 0 | 0 | 108.8 | ||||
| 83 | A | 25.9 | Very low | 26 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | 18.3 | 131.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 84 | H | 26.8 | Very low | 26.2 | Very low | 182 Ų | 182 | 145 Ų | 145 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | trans | 42.6 | 103.3 | 140.9 | -84.8 | -57.2 | 0 | 0 | 0 | 121 | ||||
| 85 | Q | 24.8 | Very low | 26.1 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | -1.7 | 119.8 | 126.2 | -139.4 | -179.4 | -9.3 | 0 | 0 | 117.4 | |||||
| 86 | E | 27.9 | Very low | 26.1 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | 168.1 | 136.6 | 98.2 | -90.8 | -163.9 | 162.1 | 0 | 0 | 112.9 | |||||
| 87 | G | 25.5 | Very low | 26.2 | Very low | 80 Ų | 80 | 146 Ų | 146 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | trans | 73.1 | 140.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 88 | F | 24.8 | Very low | 26.9 | Very low | 174 Ų | 174 | 144 Ų | 144 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | cis | -173.9 | 150.5 | 4.1 | -173.4 | -107.1 | 0 | 0 | 0 | 105.7 | ||||
| 89 | E | 27.6 | Very low | 27 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | 5.2 | 150.9 | 156.9 | -52.5 | -178.7 | 169.3 | 0 | 0 | 119.3 | ||||
| 90 | E | 26.9 | Very low | 27.2 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | cis | -175.5 | 166.5 | 11.5 | -130.1 | -175.7 | 169 | 0 | 0 | 105.4 | ||||
| 91 | G | 25.3 | Very low | 27.1 | Very low | 62 Ų | 62 | 145.7 Ų | 145.7 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | trans | 105.9 | 80.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 92 | E | 28.5 | Very low | 27.3 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | 44.7 | 117.7 | 119.3 | -54 | 178.3 | -175.2 | 0 | 0 | 120.7 | |||||
| 93 | F | 26.8 | Very low | 28.4 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -167.3 | 104.7 | 133.9 | -151.4 | -110.3 | 0 | 0 | 0 | 113.9 | ||||
| 94 | W | 31.1 | Very low | 28.3 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 71% | 0.705 | 76% | 0.764 | S | S | * | * | trans | 27.6 | 121.5 | 154.7 | -51.6 | 98.7 | 0 | 0 | 0 | 121.5 | ||||
| 95 | K | 24.1 | Very low | 28.5 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | 54.8 | 137.1 | 85.1 | -81.9 | -174.5 | 144.8 | -114.1 | 0 | 113.1 | |||||
| 96 | D | 26.2 | Very low | 28.5 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 60% | 0.599 | 77% | 0.771 | S | S | * | * | cis | -169.7 | 141.5 | 5.4 | -96.6 | -30.9 | 0 | 0 | 0 | 105.5 | ||||
| 97 | E | 26.4 | Very low | 28.3 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 43.9 | 169.2 | 134.2 | -85.5 | -140.2 | 110.3 | 0 | 0 | 124 | ||||
| 98 | P | 41.3 | Very low | 28.5 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 57% | 0.565 | 77% | 0.769 | S | S | * | * | -143.2 | -162.6 | -56.7 | 42.4 | -22.4 | 0 | 0 | 0 | 112.8 | |||||
| 99 | S | 26.3 | Very low | 28.6 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 72.8 | 149.7 | 153.9 | 61.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 100 | E | 28.4 | Very low | 28.6 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | cis | -166.8 | -179.4 | -13 | -115.9 | -148.5 | 150.4 | 0 | 0 | 105.3 | ||||
| 101 | E | 26 | Very low | 29.3 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 102 | 128 | 157 | -51.2 | -161.9 | 173.5 | 0 | 0 | 119.2 | ||||
| 102 | A | 27.6 | Very low | 29.5 | Very low | 91 Ų | 91 | 151.5 Ų | 151.5 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -101.8 | -157.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 103 | P | 47.3 | Very low | 29.5 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | -116 | 159.1 | -96.9 | 35.6 | -19.6 | 0 | 0 | 0 | 113.7 | |||||
| 104 | M | 23.6 | Very low | 29.5 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 96% | 0.961 | 78% | 0.782 | S | S | * | * | trans | -164.6 | 143.8 | 156.6 | -125 | 174.8 | -82.4 | 0 | 0 | 114.9 | ||||
| 105 | E | 31.6 | Very low | 29.4 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -73.5 | 161.2 | 171.7 | -68.8 | -147.9 | 152.7 | 0 | 0 | 114.1 | ||||
| 106 | L | 25.5 | Very low | 29.5 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | 173.1 | 136.8 | 127.8 | -92.9 | 164.4 | 0 | 0 | 0 | 112 | |||||
| 107 | G | 24.4 | Very low | 29.6 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | 112.7 | 90.6 | 128.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 108 | L | 28.1 | Very low | 29.6 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | 51.4 | 124.9 | 124.3 | -58.6 | 171.6 | 0 | 0 | 0 | 122.2 | |||||
| 109 | K | 27.7 | Very low | 29.2 | Very low | 207 Ų | 207 | 146.3 Ų | 146.3 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | -173.9 | 116.5 | 120.1 | -105.5 | 171.9 | 173.1 | -177.8 | 0 | 113.4 | |||||
| 110 | D | 28 | Very low | 29.2 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | -82.5 | 168 | 152.7 | -72 | -56.4 | 0 | 0 | 0 | 110.1 | ||||
| 111 | P | 40.1 | Very low | 29.1 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | -145.6 | 150.9 | 90.5 | 33.6 | -14.2 | 0 | 0 | 0 | 117.4 | |||||
| 112 | E | 31.5 | Very low | 29.3 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | 67.4 | 144.2 | 134.6 | -68.9 | 174 | 165.5 | 0 | 0 | 120.8 | ||||
| 113 | E | 26.6 | Very low | 29.2 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 76% | 0.757 | 82% | 0.822 | S | S | * | * | cis | -179.3 | 130.8 | -10.7 | -177.4 | 178.9 | -159.2 | 0 | 0 | 105.3 | ||||
| 114 | A | 27.1 | Very low | 28.3 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -165.3 | 94.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 115 | T | 28.9 | Very low | 29.1 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 68% | 0.675 | 81% | 0.813 | S | S | * | * | trans | -48.5 | 145.8 | 166.8 | -19.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 116 | L | 28 | Very low | 28.8 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | -170.5 | 154.5 | 88.6 | -82.9 | 175.9 | 0 | 0 | 0 | 113.7 | |||||
| 117 | S | 27 | Very low | 29 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -82.1 | 151.7 | -160.7 | -169.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 118 | F | 27.3 | Very low | 29.2 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -85.7 | 161.8 | 159.4 | -71.9 | -83.5 | 0 | 0 | 0 | 111.1 | ||||
| 119 | P | 32.7 | Very low | 29.3 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -128.1 | 136.4 | 134.1 | 32.5 | -20.6 | 0 | 0 | 0 | 112.4 | ||||
| 120 | A | 26.1 | Very low | 29.4 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -84.1 | 138.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 121 | Q | 26.7 | Very low | 29.7 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | -133.7 | 130.6 | 152.3 | -79.7 | -170.4 | -3.7 | 0 | 0 | 109.7 | ||||
| 122 | S | 28.6 | Very low | 29.3 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -84.8 | 132.2 | -172.4 | 128 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 123 | L | 25.7 | Very low | 29.5 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -153.9 | 122.1 | 146.7 | -74.4 | 179.3 | 0 | 0 | 0 | 109.2 | ||||
| 124 | S | 28.4 | Very low | 29.5 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -107.3 | 178.6 | 163.3 | -37.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 125 | P | 40.8 | Very low | 29.6 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | -134.7 | 165.3 | -19.2 | 36.2 | -18.3 | 0 | 0 | 0 | 113.6 | ||||
| 126 | E | 25.8 | Very low | 29.7 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | 164.1 | 155.6 | 132.6 | -96.5 | -168.5 | 98.4 | 0 | 0 | 112.9 | ||||
| 127 | P | 30.6 | Very low | 30 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -102.4 | 139.7 | -130.7 | 37.5 | -31.7 | 0 | 0 | 0 | 112.7 | ||||
| 128 | V | 27.4 | Very low | 30.6 | Very low | 135 Ų | 135 | 150 Ų | 150 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -111.6 | 131.1 | 164.4 | -168.5 | 0 | 0 | 0 | 0 | 106.5 | Q130 | V128-Q130 PolarHBondContact O-N 3.06Å; V128-Q130 VanDerWaalsContact O-N 3.08Å | ||
| 129 | P | 30.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -64.3 | 118.5 | -169.3 | -11.5 | 25.5 | 0 | 0 | 0 | 108.9 | E131 | P129-E131 VanDerWaalsContact C-N 3.34Å; P129-E131 PolarHBondContact O-N 2.71Å | ||
| 130 | Q | 28.8 | Very low | 31.1 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -64.6 | 103 | 163.2 | -164.3 | 172 | 0.8 | 0 | 0 | 105.5 | V128 E132 | V128-Q130 PolarHBondContact O-N 3.06Å; V128-Q130 VanDerWaalsContact O-N 3.08Å; Q130-E132 PolarHBondContact O-N 2.96Å | ||
| 131 | E | 34.5 | Very low | 32 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -58 | 92.5 | 160.2 | -69.2 | -176 | 151 | 0 | 0 | 105.7 | P129 E133 | P129-E131 VanDerWaalsContact C-N 3.34Å; P129-E131 PolarHBondContact O-N 2.71Å; E131-E133 PolarHBondContact O-N 2.61Å | ||
| 132 | E | 32.8 | Very low | 33.5 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | trans | -48.7 | 114.5 | 151.3 | -74.6 | -176.7 | 135.1 | 0 | 0 | 104.9 | Q130 K134 | Q130-E132 PolarHBondContact O-N 2.96Å; E132-K134 PolarHBondContact O-N 3.11Å | ||
| 133 | E | 35.2 | Very low | 35.3 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -60 | 76 | 159.4 | -79 | -174.8 | 119.9 | 0 | 0 | 107.4 | E131 L135 | E131-E133 PolarHBondContact O-N 2.61Å; E133-L135 PolarHBondContact O-N 3.41Å | ||
| 134 | K | 26.9 | Very low | 38.1 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 59% | 0.591 | 74% | 0.736 | S | S | * | * | trans | -58.6 | 94.5 | 153.9 | -92.8 | -171.9 | 174.8 | -166.1 | 0 | 104.6 | E132 S136 Q137 | E132-K134 PolarHBondContact O-N 3.11Å; K134-S136 PolarHBondContact O-N 2.75Å; K134-Q137 VanDerWaalsContact NZ-OE1 3.14Å | ||
| 135 | L | 29.3 | Very low | 41.2 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -50.7 | 90.3 | 147.8 | -92.7 | 155.1 | 0 | 0 | 0 | 107.3 | E133 Q137 | E133-L135 PolarHBondContact O-N 3.41Å; L135-Q137 PolarHBondContact O-N 3.11Å | ||
| 136 | S | 30.1 | Very low | 43.7 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | trans | 31.5 | 81.4 | 147.9 | -52.3 | 0 | 0 | 0 | 0 | 114 | K134 R138 | K134-S136 PolarHBondContact O-N 2.75Å; S136-R138 PolarHBondContact O-N 3.08Å | ||
| 137 | Q | 35.6 | Very low | 47.1 | Very low | 156 Ų | 156 | 123 Ų | 123 | 73% | 0.729 | 67% | 0.665 | S | S | * | * | trans | -62.2 | 68.9 | 147.6 | -75 | 175.2 | -32.3 | 0 | 0 | 108 | K134 L135 | K134-Q137 VanDerWaalsContact NZ-OE1 3.14Å; L135-Q137 PolarHBondContact O-N 3.11Å | ||
| 138 | R | 38.1 | Very low | 50.2 | Low | 211 Ų | 211 | 119.2 Ų | 119.2 | 80% | 0.796 | 64% | 0.643 | S | S | * | * | trans | -108.1 | 104.7 | 178.6 | -162.8 | 171.9 | -173.4 | 179.1 | 0.9 | 106.3 | S136 | S136-R138 PolarHBondContact O-N 3.08Š| ||
| 139 | N | 34.4 | Very low | 53.5 | Low | 138 Ų | 138 | 113 Ų | 113 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | trans | 72.5 | 61.6 | 179.2 | -51.3 | -27.4 | 0 | 0 | 0 | 115.1 | N141 | N139-N141 PolarHBondContact O-N 3.01Š| ||
| 140 | A | 36.8 | Very low | 56.5 | Low | 90 Ų | 90 | 113 Ų | 113 | 74% | 0.744 | 59% | 0.591 | S | S | * | * | trans | -71 | 85.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P142 | A140-P142 VanDerWaalsContact O-CD 3.3Å; A140-P142 WeakPolarHBondContact O-CD 3.26Å | ||
| 141 | N | 45 | Very low | 59.7 | Low | 97 Ų | 97 | 104.5 Ų | 104.5 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | trans | -53.1 | 121.9 | 153.7 | -85.3 | -14.4 | 0 | 0 | 0 | 106.1 | N139 G143 I144 | N139-N141 PolarHBondContact O-N 3.01Å; N141-G143 PolarHBondContact O-N 2.88Å; N141-I144 HydrophobicContact CB-CD1 3.75Å; N141-I144 HydrophobicContact CB-CG1 3.91Å; N141-I144 PolarHBondContact O-N 3.21Å; N141-I144 VanDerWaalsContact O-N 3.14Å | ||
| 142 | P | 57.2 | Low | 62.4 | Low | 143 Ų | 143 | 96.4 Ų | 96.4 | 93% | 0.929 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -6.8 | -175.7 | -25.8 | 33.8 | 0 | 0 | 0 | 115.2 | A140 | A140-P142 VanDerWaalsContact O-CD 3.3Å; A140-P142 WeakPolarHBondContact O-CD 3.26Å |
| 143 | G | 67.2 | Low | 65.3 | Low | 62 Ų | 62 | 89.3 Ų | 89.3 | 64% | 0.639 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -8.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | N141 | N141-G143 PolarHBondContact O-N 2.88Š|
| 144 | I | 84.9 | Confident | 68 | Low | 53 Ų | 53 | 83.6 Ų | 83.6 | 27% | 0.272 | 45% | 0.452 | S | S | . | . | trans | -94.6 | 120.8 | -176.2 | -53.9 | 172.7 | 0 | 0 | 0 | 110 | N141 E204 | N141-I144 HydrophobicContact CB-CD1 3.75Å; N141-I144 HydrophobicContact CB-CG1 3.91Å; N141-I144 PolarHBondContact O-N 3.21Å; N141-I144 VanDerWaalsContact O-N 3.14Å; I144-E204 HydrophobicContact CD1-CG 4.31Å; I144-E204 WeakPolarHBondContact CD1-OE1 3.45Å; I144-E204 HydrophobicContact CG1-CB 4.24Å; I144-E204 HydrophobicContact CG1-CG 3.88Å; I144-E204 WeakPolarHBondContact CG1-OE1 3.41Å; I144-E204 HydrophobicContact CG2-CB 4.29Å | ||
| 145 | K | 92.3 | Very high | 71.2 | Confident | 69 Ų | 69 | 78.3 Ų | 78.3 | 30% | 0.3 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 121.1 | 172.6 | -62.2 | 179.7 | 177.7 | 179.8 | 0 | 109.6 | F147 Q202 L203 S269 E272 | K145-F147 HydrophobicContact CB-CE2 3.81Å; K145-F147 HydrophobicContact CB-CZ 4.05Å; K145-Q202 CarbonylContact O-C 3.57Å; K145-Q202 WeakPolarHBondContact O-CA 3.33Å; K145-L203 HydrophobicContact CB-CB 4.38Å; K145-L203 PolarHBondContact N-O 3Å; K145-L203 PolarHBondContact O-N 3.12Å; K145-S269 VanDerWaalsContact CD-OG 3.25Å; K145-S269 WeakPolarHBondContact CD-OG 3.45Å; K145-S269 PolarHBondContact NZ-OG 2.84Å; K145-S269 VanDerWaalsContact NZ-OG 3.11Å; K145-E272 IonicContact NZ-OE2 3.83Å; K145-E272 PolarHBondContact NZ-OE2 2.96Å |
| 146 | C | 94.9 | Very high | 74.3 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.3 | -175.7 | -170.3 | 0 | 0 | 0 | 0 | 110.9 | L201 Q202 | C146-L201 CarbonylContact C-O 3.6Å; C146-L201 WeakPolarHBondContact CA-O 3.25Å; C146-Q202 HydrophobicContact CB-CG 4.19Å |
| 147 | F | 96.4 | Very high | 77.1 | Confident | 28 Ų | 28 | 71.9 Ų | 71.9 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 127.2 | -177.5 | -53.9 | -86.4 | 0 | 0 | 0 | 110.3 | K145 V149 L201 L203 N265 I266 | K145-F147 HydrophobicContact CB-CE2 3.81Å; K145-F147 HydrophobicContact CB-CZ 4.05Å; F147-V149 HydrophobicContact CB-CG1 4.3Å; F147-V149 PolarHBondContact O-N 3.29Å; F147-L201 HydrophobicContact CB-CB 4.45Å; F147-L201 HydrophobicContact CD2-CD2 4.04Å; F147-L201 PolarHBondContact N-O 2.68Å; F147-L201 PolarHBondContact O-N 3.1Å; F147-L203 HydrophobicContact CE2-CD1 3.99Å; F147-L203 HydrophobicContact CE2-CG 4.3Å; F147-N265 HydrophobicContact CE1-CB 3.93Å; F147-I266 HydrophobicContact CB-CD1 3.87Å; F147-I266 HydrophobicContact CB-CG1 4.09Å; F147-I266 HydrophobicContact CD1-CD1 4.37Å; F147-I266 HydrophobicContact CD1-CG1 3.67Å; F147-I266 HydrophobicContact CD2-CD1 4.33Å; F147-I266 HydrophobicContact CD2-CG1 3.83Å; F147-I266 HydrophobicContact CE1-CG1 4Å; F147-I266 HydrophobicContact CE2-CG1 4.14Å; F147-I266 HydrophobicContact CG-CD1 3.95Å; F147-I266 HydrophobicContact CG-CG1 3.58Å; F147-I266 HydrophobicContact CZ-CG1 4.21Å |
| 148 | A | 96.3 | Very high | 79.8 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 123.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | L200 E260 | A148-L200 HydrophobicContact CB-CD2 4.48Å; A148-E260 HydrophobicContact CB-CB 4.3Å; A148-E260 HydrophobicContact CB-CG 4Å; A148-E260 WeakPolarHBondContact CB-OE2 3.49Å; A148-E260 PolarHBondContact O-N 3.21Å; A148-E260 VanDerWaalsContact O-N 3.13Å |
| 149 | V | 96.3 | Very high | 82.1 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.03 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 153.9 | -176.4 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | F147 L199 L201 F257 R258 C259 I266 | F147-V149 HydrophobicContact CB-CG1 4.3Å; F147-V149 PolarHBondContact O-N 3.29Å; V149-L199 HydrophobicContact CG2-CB 4.07Å; V149-L199 PolarHBondContact N-O 2.81Å; V149-L199 PolarHBondContact O-N 2.99Å; V149-L201 HydrophobicContact CG1-CB 4.14Å; V149-L201 HydrophobicContact CG2-CB 3.89Å; V149-F257 HydrophobicContact CB-CB 4.09Å; V149-F257 HydrophobicContact CG2-CB 4.33Å; V149-F257 HydrophobicContact CG2-CD1 3.92Å; V149-F257 HydrophobicContact CG2-CG 4.39Å; V149-R258 CarbonylContact C-O 3.59Å; V149-R258 VanDerWaalsContact CA-O 3.3Å; V149-R258 WeakPolarHBondContact CA-O 3.29Å; V149-C259 HydrophobicContact CG1-CB 4.31Å; V149-I266 HydrophobicContact CG1-CD1 3.99Å |
| 150 | R | 94.5 | Very high | 84.6 | Confident | 119 Ų | 119 | 60.6 Ų | 60.6 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.6 | 170 | -179.4 | 171.3 | -65.6 | 175.4 | -1.7 | 109.7 | L152 K197 D198 F257 R258 | R150-L152 PolarHBondContact O-N 2.78Å; R150-K197 CarbonylContact C-O 3.58Å; R150-K197 WeakPolarHBondContact CA-O 3.34Å; R150-D198 IonicContact CZ-OD1 2.64Å; R150-D198 VanDerWaalsContact CZ-OD1 3.28Å; R150-D198 IonicContact CZ-OD2 2.77Å; R150-D198 IonicContact NE-OD1 3.57Å; R150-D198 PolarHBondContact NE-OD1 3.06Å; R150-D198 IonicContact NE-OD2 3.35Å; R150-D198 IonicContact NH2-OD1 3.5Å; R150-D198 PolarHBondContact NH2-OD1 3.17Å; R150-D198 IonicContact NH2-OD2 3.87Å; R150-D198 PolarHBondContact NH2-OD2 2.77Å; R150-F257 CarbonylContact O-C 3.48Å; R150-F257 VanDerWaalsContact O-CA 3.31Å; R150-F257 WeakPolarHBondContact O-CA 3.35Å; R150-R258 HydrophobicContact CB-CB 4.43Å; R150-R258 PolarHBondContact N-O 2.77Å; R150-R258 PolarHBondContact O-N 3.13Å |
| 151 | S | 94.9 | Very high | 86.8 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 129.3 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | G153 W193 G194 G196 K197 | S151-G153 PolarHBondContact OG-N 3.43Å; S151-W193 WeakPolarHBondContact CB-O 3.25Å; S151-W193 PolarHBondContact OG-O 3.17Å; S151-G194 WeakPolarHBondContact CB-O 3.32Å; S151-G194 PolarHBondContact OG-O 3.43Å; S151-G196 PolarHBondContact O-N 3.22Å; S151-K197 PolarHBondContact N-O 2.86Å |
| 152 | L | 92.4 | Very high | 88.7 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 6.4 | 171.3 | -58.5 | -174.5 | 0 | 0 | 0 | 111.7 | R150 L178 V256 R258 | R150-L152 PolarHBondContact O-N 2.78Å; L152-L178 HydrophobicContact CB-CB 4.11Å; L152-V256 HydrophobicContact CB-CB 4.29Å; L152-V256 HydrophobicContact CB-CG1 4.26Å; L152-V256 HydrophobicContact CD1-CG1 3.97Å; L152-V256 PolarHBondContact N-O 3.4Å; L152-R258 HydrophobicContact CD1-CB 4.17Å; L152-R258 HydrophobicContact CD2-CB 4.17Å; L152-R258 HydrophobicContact CG-CB 4.2Å |
| 153 | G | 92.1 | Very high | 89.8 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.8 | -158 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S151 V256 | S151-G153 PolarHBondContact OG-N 3.43Å; G153-V256 PolarHBondContact O-N 3.23Å |
| 154 | W | 93.4 | Very high | 90.4 | Very high | 73 Ų | 73 | 54 Ų | 54 | 28% | 0.277 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 155.5 | -175.1 | 61.2 | -89 | 0 | 0 | 0 | 112.5 | E156 D187 M251 K253 C254 H255 | W154-E156 HydrophobicContact CZ3-CB 4.3Å; W154-D187 WeakPolarHBondContact CZ2-OD2 3.16Å; W154-D187 PolarHBondContact NE1-OD2 3.36Å; W154-M251 HydrophobicContact CZ3-CE 4.44Å; W154-K253 HydrophobicContact CD2-CD 4.07Å; W154-K253 HydrophobicContact CD2-CG 4.32Å; W154-K253 HydrophobicContact CE3-CB 4.25Å; W154-K253 HydrophobicContact CE3-CD 3.95Å; W154-K253 HydrophobicContact CE3-CG 3.77Å; W154-K253 HydrophobicContact CZ3-CD 4.26Å; W154-K253 HydrophobicContact CZ3-CG 4.11Å; W154-C254 CarbonylContact C-O 3.56Å; W154-C254 WeakPolarHBondContact CA-O 3.4Å; W154-C254 WeakPolarHBondContact CB-O 3.31Å; W154-H255 WeakPolarHBondContact CB-ND1 3.12Å |
| 155 | V | 93 | Very high | 90.1 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.3 | 174 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | M157 C174 L178 C254 | V155-M157 HydrophobicContact CG1-SD 4.47Å; V155-C174 HydrophobicContact CG2-CB 4.38Å; V155-L178 HydrophobicContact CG2-CD1 3.77Å; V155-L178 HydrophobicContact CG2-CD2 4.05Å; V155-L178 HydrophobicContact CG2-CG 3.81Å; V155-C254 PolarHBondContact N-O 2.82Å; V155-C254 PolarHBondContact O-N 2.64Å |
| 156 | E | 93.8 | Very high | 89.6 | Confident | 113 Ų | 113 | 59.3 Ų | 59.3 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 137.1 | 171.2 | -179.4 | 173.9 | -166 | 0 | 0 | 110.4 | W154 M251 L252 | W154-E156 HydrophobicContact CZ3-CB 4.3Å; E156-M251 HydrophobicContact CB-CE 4.18Å; E156-M251 HydrophobicContact CG-CE 3.8Å; E156-M251 VanDerWaalsContact OE1-CE 3.29Å; E156-M251 WeakPolarHBondContact OE1-CE 3.49Å; E156-M251 WeakPolarHBondContact OE2-CE 3.06Å; E156-L252 WeakPolarHBondContact CA-O 3.43Å |
| 157 | M | 90.5 | Very high | 89.3 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 4% | 0.044 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 151.8 | 179.8 | -55.8 | -55.9 | -62.8 | 0 | 0 | 110.6 | V155 E161 A170 C174 V243 L252 C254 | V155-M157 HydrophobicContact CG1-SD 4.47Å; M157-E161 WeakPolarHBondContact CA-OE2 3.25Å; M157-E161 HydrophobicContact CE-CB 4.03Å; M157-E161 VanDerWaalsContact CE-OE2 3.3Å; M157-E161 WeakPolarHBondContact CE-OE2 3.06Å; M157-A170 HydrophobicContact CE-CB 3.67Å; M157-C174 PolarHBondContact SD-SG 2.86Å; M157-V243 HydrophobicContact CG-CG1 4.32Å; M157-L252 HydrophobicContact CB-CB 4.01Å; M157-L252 PolarHBondContact N-O 2.84Å; M157-L252 WeakPolarHBondContact O-CB 3.38Å; M157-C254 HydrophobicContact CG-CB 3.65Å; M157-C254 HydrophobicContact SD-CB 3.82Å |
| 158 | T | 91.3 | Very high | 88.9 | Confident | 63 Ų | 63 | 58.7 Ų | 58.7 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | trans | -96.9 | 163 | 168.5 | 85.6 | 0 | 0 | 0 | 0 | 111.8 | E160 E161 L162 | T158-E160 VanDerWaalsContact C-N 3.26Å; T158-E160 WeakPolarHBondContact CB-OE2 3.5Å; T158-E160 PolarHBondContact O-N 3.34Å; T158-E160 PolarHBondContact OG1-N 3.49Å; T158-E160 PolarHBondContact OG1-OE2 2.92Å; T158-E161 PolarHBondContact N-OE2 2.79Å; T158-E161 PolarHBondContact O-N 3.46Å; T158-E161 PolarHBondContact OG1-N 2.77Å; T158-L162 PolarHBondContact O-N 3.5Å | ||
| 159 | E | 87.6 | Confident | 88.5 | Confident | 83 Ų | 83 | 61 Ų | 61 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -31.5 | 178.8 | -172.8 | 69.9 | -154.5 | 0 | 0 | 111.2 | E161 L162 A163 R228 R245 L252 | E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 3.35Å; E159-L162 PolarHBondContact O-N 3.46Å; E159-A163 PolarHBondContact O-N 2.98Å; E159-R228 IonicContact OE1-CZ 3.95Å; E159-R228 IonicContact OE1-NH1 3.74Å; E159-R228 PolarHBondContact OE1-NH1 2.85Å; E159-R228 IonicContact OE1-NH2 3.06Å; E159-R228 PolarHBondContact OE1-NH2 2.82Å; E159-R228 IonicContact OE2-CZ 3.99Å; E159-R228 IonicContact OE2-NH1 2.61Å; E159-R228 PolarHBondContact OE2-NH1 3.49Å; E159-R228 IonicContact OE2-NH2 2.95Å; E159-R245 IonicContact OE2-NH2 2.71Å; E159-L252 HydrophobicContact CB-CD1 4.42Å |
| 160 | E | 85.5 | Confident | 88.2 | Confident | 122 Ų | 122 | 61.3 Ų | 61.3 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -33.8 | 178.4 | -57.3 | 70.3 | -148 | 0 | 0 | 112.4 | T158 L162 A163 | T158-E160 VanDerWaalsContact C-N 3.26Å; T158-E160 WeakPolarHBondContact CB-OE2 3.5Å; T158-E160 PolarHBondContact O-N 3.34Å; T158-E160 PolarHBondContact OG1-N 3.49Å; T158-E160 PolarHBondContact OG1-OE2 2.92Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-A163 VanDerWaalsContact O-CB 3.25Å; E160-A163 WeakPolarHBondContact O-CB 3.3Å; E160-A163 PolarHBondContact O-N 2.88Å |
| 161 | E | 83.8 | Confident | 88.1 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -28.9 | 176.4 | -67.6 | 176.5 | 139.7 | 0 | 0 | 112 | M157 T158 E159 A163 R166 S167 A170 | M157-E161 WeakPolarHBondContact CA-OE2 3.25Å; M157-E161 HydrophobicContact CE-CB 4.03Å; M157-E161 VanDerWaalsContact CE-OE2 3.3Å; M157-E161 WeakPolarHBondContact CE-OE2 3.06Å; T158-E161 PolarHBondContact N-OE2 2.79Å; T158-E161 PolarHBondContact O-N 3.46Å; T158-E161 PolarHBondContact OG1-N 2.77Å; E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 3.35Å; E161-A163 VanDerWaalsContact C-N 3.27Å; E161-A163 PolarHBondContact O-N 2.95Å; E161-R166 CarbonylContact O-C 3.59Å; E161-S167 VanDerWaalsContact O-CA 3.25Å; E161-S167 WeakPolarHBondContact O-CA 3.31Å; E161-S167 PolarHBondContact O-N 2.87Å; E161-A170 HydrophobicContact CB-CB 4.08Å |
| 162 | L | 85.5 | Confident | 88 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 2.5 | 176.7 | -58.9 | -176.8 | 0 | 0 | 0 | 113.4 | T158 E159 E160 R228 V229 V243 L252 | T158-L162 PolarHBondContact O-N 3.5Å; E159-L162 PolarHBondContact O-N 3.46Å; E160-L162 VanDerWaalsContact C-N 3.31Å; L162-R228 HydrophobicContact CD1-CB 4.36Å; L162-V229 HydrophobicContact CD2-CG2 4.27Å; L162-V243 HydrophobicContact CD1-CG1 3.68Å; L162-V243 HydrophobicContact CD2-CB 4.34Å; L162-V243 HydrophobicContact CD2-CG1 4.01Å; L162-V243 HydrophobicContact CD2-CG2 4.09Å; L162-V243 HydrophobicContact CG-CG1 4.48Å; L162-L252 HydrophobicContact CD1-CB 4.41Å; L162-L252 HydrophobicContact CD1-CD1 3.67Å; L162-L252 HydrophobicContact CD1-CD2 3.89Å; L162-L252 HydrophobicContact CD1-CG 4.2Å |
| 163 | A | 80.2 | Confident | 88 | Confident | 33 Ų | 33 | 60 Ų | 60 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -58.7 | 147.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | E159 E160 E161 G165 R166 S167 | E159-A163 PolarHBondContact O-N 2.98Å; E160-A163 VanDerWaalsContact O-CB 3.25Å; E160-A163 WeakPolarHBondContact O-CB 3.3Å; E160-A163 PolarHBondContact O-N 2.88Å; E161-A163 VanDerWaalsContact C-N 3.27Å; E161-A163 PolarHBondContact O-N 2.95Å; A163-G165 PolarHBondContact O-N 3.36Å; A163-R166 PolarHBondContact O-N 3.46Å; A163-S167 PolarHBondContact O-N 3.32Å; A163-S167 VanDerWaalsContact O-N 3.11Å |
| 164 | P | 79.6 | Confident | 88 | Confident | 130 Ų | 130 | 60 Ų | 60 | 84% | 0.844 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 131 | 175.4 | -25.9 | 34.6 | 0 | 0 | 0 | 111.8 | R166 | P164-R166 VanDerWaalsContact C-N 3.31Å; P164-R166 PolarHBondContact O-N 3.14Å |
| 165 | G | 78.2 | Confident | 87.9 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 72% | 0.722 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -16.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A163 | A163-G165 PolarHBondContact O-N 3.36Š|
| 166 | R | 81.8 | Confident | 87.8 | Confident | 164 Ų | 164 | 60.7 Ų | 60.7 | 62% | 0.619 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -32.5 | 175.7 | -64.5 | -174.8 | 176.5 | -179.1 | -1.5 | 113.2 | E161 A163 P164 S168 V169 A170 | E161-R166 CarbonylContact O-C 3.59Å; A163-R166 PolarHBondContact O-N 3.46Å; P164-R166 VanDerWaalsContact C-N 3.31Å; P164-R166 PolarHBondContact O-N 3.14Å; R166-S168 VanDerWaalsContact C-N 3.3Å; R166-S168 PolarHBondContact O-N 3.25Å; R166-V169 WeakPolarHBondContact O-CB 3.21Å; R166-V169 PolarHBondContact O-N 3.48Å; R166-A170 PolarHBondContact O-N 3.22Å |
| 167 | S | 88 | Confident | 87.6 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 16% | 0.161 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.9 | -37.6 | -174.4 | 60.4 | 0 | 0 | 0 | 0 | 115 | E161 A163 V169 A170 V171 | E161-S167 VanDerWaalsContact O-CA 3.25Å; E161-S167 WeakPolarHBondContact O-CA 3.31Å; E161-S167 PolarHBondContact O-N 2.87Å; A163-S167 PolarHBondContact O-N 3.32Å; A163-S167 VanDerWaalsContact O-N 3.11Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.11Å; S167-A170 PolarHBondContact O-N 3.43Å; S167-V171 WeakPolarHBondContact O-CB 3.32Å; S167-V171 VanDerWaalsContact O-CG2 3.28Å; S167-V171 WeakPolarHBondContact O-CG2 3.37Å; S167-V171 PolarHBondContact O-N 2.94Å |
| 168 | S | 87.6 | Confident | 87.6 | Confident | 57 Ų | 57 | 61 Ų | 61 | 40% | 0.399 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 179 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | R166 N172 | R166-S168 VanDerWaalsContact C-N 3.3Å; R166-S168 PolarHBondContact O-N 3.25Å; S168-N172 WeakPolarHBondContact O-CB 3.28Å; S168-N172 PolarHBondContact O-N 3.25Å; S168-N172 PolarHBondContact O-ND2 3.13Å |
| 169 | V | 88.8 | Confident | 87.3 | Confident | 81 Ų | 81 | 59.1 Ų | 59.1 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71.2 | -47.8 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | R166 S167 V171 N172 N173 | R166-V169 WeakPolarHBondContact O-CB 3.21Å; R166-V169 PolarHBondContact O-N 3.48Å; S167-V169 VanDerWaalsContact C-N 3.34Å; S167-V169 PolarHBondContact O-N 3.11Å; V169-V171 PolarHBondContact O-N 3.44Å; V169-N172 PolarHBondContact O-N 2.82Å; V169-N173 VanDerWaalsContact O-CG 3.28Å; V169-N173 PolarHBondContact O-N 3.37Å |
| 170 | A | 90.3 | Very high | 86.9 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.8 | -50.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M157 E161 R166 S167 N172 N173 C174 | M157-A170 HydrophobicContact CE-CB 3.67Å; E161-A170 HydrophobicContact CB-CB 4.08Å; R166-A170 PolarHBondContact O-N 3.22Å; S167-A170 PolarHBondContact O-N 3.43Å; A170-N172 PolarHBondContact O-N 3.35Å; A170-N173 WeakPolarHBondContact O-CB 3.38Å; A170-N173 PolarHBondContact O-N 3.05Å; A170-N173 VanDerWaalsContact O-N 3.12Å; A170-C174 PolarHBondContact O-N 3.43Å; A170-C174 PolarHBondContact O-SG 3.26Å |
| 171 | V | 92.6 | Very high | 86.2 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 178.1 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | S167 V169 N173 C174 I175 V229 A241 V243 | S167-V171 WeakPolarHBondContact O-CB 3.32Å; S167-V171 VanDerWaalsContact O-CG2 3.28Å; S167-V171 WeakPolarHBondContact O-CG2 3.37Å; S167-V171 PolarHBondContact O-N 2.94Å; V169-V171 PolarHBondContact O-N 3.44Å; V171-N173 VanDerWaalsContact C-N 3.31Å; V171-N173 PolarHBondContact O-N 2.79Å; V171-C174 PolarHBondContact O-N 3.06Å; V171-I175 HydrophobicContact CG1-CD1 4.13Å; V171-I175 WeakPolarHBondContact O-CG1 3.42Å; V171-I175 PolarHBondContact O-N 2.94Å; V171-V229 HydrophobicContact CG2-CB 4.5Å; V171-V229 HydrophobicContact CG2-CG1 3.92Å; V171-A241 HydrophobicContact CG1-CB 3.8Å; V171-V243 HydrophobicContact CG2-CG2 3.86Å |
| 172 | N | 91.6 | Very high | 85.1 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 11% | 0.107 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.1 | -34.8 | 176.1 | -85.5 | -75.9 | 0 | 0 | 0 | 112.2 | S168 V169 A170 I175 R176 R234 | S168-N172 WeakPolarHBondContact O-CB 3.28Å; S168-N172 PolarHBondContact O-N 3.25Å; S168-N172 PolarHBondContact O-ND2 3.13Å; V169-N172 PolarHBondContact O-N 2.82Å; A170-N172 PolarHBondContact O-N 3.35Å; N172-I175 PolarHBondContact O-N 2.85Å; N172-R176 WeakPolarHBondContact O-CG 3.26Å; N172-R176 PolarHBondContact O-N 2.97Å; N172-R234 PolarHBondContact OD1-N 2.85Å |
| 173 | N | 92 | Very high | 83.6 | Confident | 84 Ų | 84 | 71 Ų | 71 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.3 | -70.9 | -13.5 | 0 | 0 | 0 | 111.3 | V169 A170 V171 I175 R176 Q177 | V169-N173 VanDerWaalsContact O-CG 3.28Å; V169-N173 PolarHBondContact O-N 3.37Å; A170-N173 WeakPolarHBondContact O-CB 3.38Å; A170-N173 PolarHBondContact O-N 3.05Å; A170-N173 VanDerWaalsContact O-N 3.12Å; V171-N173 VanDerWaalsContact C-N 3.31Å; V171-N173 PolarHBondContact O-N 2.79Å; N173-I175 VanDerWaalsContact C-N 3.33Å; N173-I175 PolarHBondContact O-N 3.43Å; N173-R176 PolarHBondContact O-N 2.84Å; N173-Q177 WeakPolarHBondContact O-CB 3.44Å; N173-Q177 PolarHBondContact O-N 2.73Å |
| 174 | C | 92.5 | Very high | 82.1 | Confident | 5 Ų | 5 | 76.3 Ų | 76.3 | 3% | 0.034 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 174 | -55.6 | 0 | 0 | 0 | 0 | 112 | V155 M157 A170 V171 R176 Q177 L178 C254 V256 | V155-C174 HydrophobicContact CG2-CB 4.38Å; M157-C174 PolarHBondContact SD-SG 2.86Å; A170-C174 PolarHBondContact O-N 3.43Å; A170-C174 PolarHBondContact O-SG 3.26Å; V171-C174 PolarHBondContact O-N 3.06Å; C174-R176 VanDerWaalsContact C-N 3.34Å; C174-R176 PolarHBondContact O-N 2.81Å; C174-Q177 PolarHBondContact O-N 3.31Å; C174-L178 PolarHBondContact O-N 3.23Å; C174-C254 HydrophobicContact CB-CB 4.2Å; C174-C254 WeakPolarHBondContact CB-SG 3.44Å; C174-V256 HydrophobicContact CB-CG2 4.36Å |
| 175 | I | 91.9 | Very high | 80.6 | Confident | 3 Ų | 3 | 77.1 Ų | 77.1 | 2% | 0.015 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 177.1 | -69.6 | 169.9 | 0 | 0 | 0 | 110.2 | V171 N172 N173 S179 D239 A241 V256 | V171-I175 HydrophobicContact CG1-CD1 4.13Å; V171-I175 WeakPolarHBondContact O-CG1 3.42Å; V171-I175 PolarHBondContact O-N 2.94Å; N172-I175 PolarHBondContact O-N 2.85Å; N173-I175 VanDerWaalsContact C-N 3.33Å; N173-I175 PolarHBondContact O-N 3.43Å; I175-S179 WeakPolarHBondContact O-CB 3.44Å; I175-S179 PolarHBondContact O-N 2.87Å; I175-S179 PolarHBondContact O-OG 3.42Å; I175-D239 HydrophobicContact CG2-CB 3.53Å; I175-A241 HydrophobicContact CD1-CB 3.83Å; I175-A241 HydrophobicContact CG1-CB 3.73Å; I175-V256 HydrophobicContact CG1-CG1 4.07Å; I175-V256 HydrophobicContact CG1-CG2 4.29Å |
| 176 | R | 90.7 | Very high | 79.3 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 177.5 | -75.2 | 176.4 | 173.7 | 175 | -4.6 | 111.5 | N172 N173 C174 L178 S179 Y180 D235 | N172-R176 WeakPolarHBondContact O-CG 3.26Å; N172-R176 PolarHBondContact O-N 2.97Å; N173-R176 PolarHBondContact O-N 2.84Å; C174-R176 VanDerWaalsContact C-N 3.34Å; C174-R176 PolarHBondContact O-N 2.81Å; R176-L178 PolarHBondContact O-N 3.4Å; R176-S179 PolarHBondContact O-N 3.32Å; R176-Y180 VanDerWaalsContact O-CD2 3.26Å; R176-Y180 WeakPolarHBondContact O-CD2 3.33Å; R176-Y180 PolarHBondContact O-N 2.79Å; R176-D235 WeakPolarHBondContact CG-OD2 3.35Å; R176-D235 IonicContact CZ-OD1 3.86Å; R176-D235 IonicContact CZ-OD2 3.24Å; R176-D235 IonicContact NE-OD1 3.81Å; R176-D235 IonicContact NE-OD2 2.7Å; R176-D235 PolarHBondContact NE-OD2 2.85Å; R176-D235 IonicContact NH2-OD1 4Å; R176-D235 PolarHBondContact NH2-OD1 2.91Å; R176-D235 IonicContact NH2-OD2 3.9Å; R176-D235 PolarHBondContact NH2-OD2 2.59Å |
| 177 | Q | 90.5 | Very high | 78.2 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.6 | -52.7 | 179.3 | -174.6 | 178.4 | 3.7 | 0 | 0 | 110.8 | N173 C174 H181 | N173-Q177 WeakPolarHBondContact O-CB 3.44Å; N173-Q177 PolarHBondContact O-N 2.73Å; C174-Q177 PolarHBondContact O-N 3.31Å; Q177-H181 WeakPolarHBondContact O-CB 3.22Å; Q177-H181 PolarHBondContact O-N 2.86Å |
| 178 | L | 89.1 | Confident | 76.5 | Confident | 24 Ų | 24 | 81.8 Ų | 81.8 | 13% | 0.126 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -80 | -17.6 | -177.2 | -64.7 | 179.9 | 0 | 0 | 0 | 114.2 | L152 V155 C174 R176 V256 | L152-L178 HydrophobicContact CB-CB 4.11Å; V155-L178 HydrophobicContact CG2-CD1 3.77Å; V155-L178 HydrophobicContact CG2-CD2 4.05Å; V155-L178 HydrophobicContact CG2-CG 3.81Å; C174-L178 PolarHBondContact O-N 3.23Å; R176-L178 PolarHBondContact O-N 3.4Å; L178-V256 HydrophobicContact CB-CB 4.4Å; L178-V256 HydrophobicContact CD1-CB 3.83Å; L178-V256 HydrophobicContact CD1-CG2 3.66Å |
| 179 | S | 85.6 | Confident | 74.9 | Confident | 23 Ų | 23 | 86.3 Ų | 86.3 | 16% | 0.161 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -78.3 | -35.4 | 177.9 | -68 | 0 | 0 | 0 | 0 | 113.3 | I175 R176 D239 R258 | I175-S179 WeakPolarHBondContact O-CB 3.44Å; I175-S179 PolarHBondContact O-N 2.87Å; I175-S179 PolarHBondContact O-OG 3.42Å; R176-S179 PolarHBondContact O-N 3.32Å; S179-D239 PolarHBondContact OG-OD2 2.68Å; S179-R258 VanDerWaalsContact CB-NH2 3.33Å; S179-R258 PolarHBondContact O-NH2 2.93Å; S179-R258 PolarHBondContact OG-NH2 3.49Å |
| 180 | Y | 78.9 | Confident | 73.6 | Confident | 183 Ų | 183 | 83 Ų | 83 | 72% | 0.718 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -102.7 | -20.4 | -177.1 | -65.2 | -71.2 | 0 | 0 | 0 | 113.3 | R176 | R176-Y180 VanDerWaalsContact O-CD2 3.26Å; R176-Y180 WeakPolarHBondContact O-CD2 3.33Å; R176-Y180 PolarHBondContact O-N 2.79Å |
| 181 | H | 71.3 | Confident | 72 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 52% | 0.523 | 43% | 0.434 | S | S | . | . | trans | -99.1 | 115 | -179.4 | -140.5 | -48.4 | 0 | 0 | 0 | 110 | Q177 N183 | Q177-H181 WeakPolarHBondContact O-CB 3.22Å; Q177-H181 PolarHBondContact O-N 2.86Å; H181-N183 PolarHBondContact ND1-OD1 3.36Å | ||
| 182 | K | 59.5 | Low | 70.7 | Confident | 162 Ų | 162 | 86.8 Ų | 86.8 | 70% | 0.704 | 45% | 0.451 | S | S | * | . | trans | -93.3 | 98 | 171.2 | -171.2 | 175.2 | -177.3 | 178.1 | 0 | 107.8 | ||||
| 183 | N | 55.2 | Low | 69.8 | Low | 85 Ų | 85 | 87.1 Ų | 87.1 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | trans | -87.2 | 114.8 | 176.1 | -93.5 | -4.1 | 0 | 0 | 0 | 108.9 | H181 L185 | H181-N183 PolarHBondContact ND1-OD1 3.36Å; N183-L185 PolarHBondContact O-N 2.9Å | ||
| 184 | N | 48.1 | Very low | 68.8 | Low | 146 Ų | 146 | 83.8 Ų | 83.8 | 78% | 0.781 | 44% | 0.436 | S | S | * | . | trans | -74.4 | 17.3 | 175.4 | -64.3 | -56.7 | 0 | 0 | 0 | 113.3 | ||||
| 185 | L | 48.6 | Very low | 68.1 | Low | 146 Ų | 146 | 87.4 Ų | 87.4 | 76% | 0.764 | 45% | 0.452 | S | S | * | . | trans | -92.9 | 104.2 | 176.4 | -83.4 | 105.3 | 0 | 0 | 0 | 109.4 | N183 D187 | N183-L185 PolarHBondContact O-N 2.9Å; L185-D187 PolarHBondContact O-N 3.19Å; L185-D187 VanDerWaalsContact O-N 3.09Å | ||
| 186 | H | 51.5 | Low | 67.5 | Low | 177 Ų | 177 | 89.6 Ų | 89.6 | 82% | 0.819 | 48% | 0.476 | S | S | * | . | trans | -61.5 | 109.7 | 170.8 | -157.5 | -27 | 0 | 0 | 0 | 108.7 | P188 | H186-P188 WeakPolarHBondContact O-CD 3.3Š| ||
| 187 | D | 57.2 | Low | 67.3 | Low | 50 Ų | 50 | 88.2 Ų | 88.2 | 27% | 0.267 | 47% | 0.473 | S | S | . | . | trans | -67.9 | 113.7 | 172.7 | 177.1 | 8.3 | 0 | 0 | 0 | 108.9 | W154 L185 M189 A190 | W154-D187 WeakPolarHBondContact CZ2-OD2 3.16Å; W154-D187 PolarHBondContact NE1-OD2 3.36Å; L185-D187 PolarHBondContact O-N 3.19Å; L185-D187 VanDerWaalsContact O-N 3.09Å; D187-M189 PolarHBondContact O-N 2.93Å; D187-M189 PolarHBondContact OD1-N 2.87Å; D187-A190 HydrophobicContact CB-CB 3.94Å; D187-A190 PolarHBondContact O-N 3.48Å | ||
| 188 | P | 52.4 | Low | 67.4 | Low | 129 Ų | 129 | 87 Ų | 87 | 84% | 0.838 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.5 | 179.2 | 23.6 | -20.8 | 0 | 0 | 0 | 112.8 | H186 | H186-P188 WeakPolarHBondContact O-CD 3.3Š|
| 189 | M | 54.6 | Low | 67.7 | Low | 151 Ų | 151 | 86 Ų | 86 | 74% | 0.744 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 1 | 177.5 | -74 | -141.7 | -76.6 | 0 | 0 | 114.6 | D187 G191 | D187-M189 PolarHBondContact O-N 2.93Å; D187-M189 PolarHBondContact OD1-N 2.87Å; M189-G191 PolarHBondContact O-N 3.16Å |
| 190 | A | 61 | Low | 68.2 | Low | 12 Ų | 12 | 86.3 Ų | 86.3 | 10% | 0.099 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -74.9 | 17.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | D187 G192 W193 G194 | D187-A190 HydrophobicContact CB-CB 3.94Å; D187-A190 PolarHBondContact O-N 3.48Å; A190-G192 PolarHBondContact O-N 3.01Å; A190-W193 PolarHBondContact O-N 2.84Å; A190-G194 PolarHBondContact O-N 2.93Å |
| 191 | G | 57.8 | Low | 69 | Low | 56 Ų | 56 | 77.6 Ų | 77.6 | 58% | 0.577 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 24.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | M189 W193 | M189-G191 PolarHBondContact O-N 3.16Å; G191-W193 VanDerWaalsContact O-CD1 3.25Å |
| 192 | G | 64.4 | Low | 70.2 | Confident | 36 Ų | 36 | 73.5 Ų | 73.5 | 37% | 0.371 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 12.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | A190 K197 | A190-G192 PolarHBondContact O-N 3.01Å; G192-K197 WeakPolarHBondContact O-CD 3.25Å; G192-K197 VanDerWaalsContact O-CE 3.23Å; G192-K197 WeakPolarHBondContact O-CE 3.49Å; G192-K197 PolarHBondContact O-NZ 3.43Å |
| 193 | W | 73.7 | Confident | 72 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 11% | 0.106 | 38% | 0.378 | C | S | . | . | trans | -131.2 | 21.2 | 175.3 | 55.4 | -88 | 0 | 0 | 0 | 113.3 | S151 A190 G191 L199 L210 L219 H220 H255 F257 | S151-W193 WeakPolarHBondContact CB-O 3.25Å; S151-W193 PolarHBondContact OG-O 3.17Å; A190-W193 PolarHBondContact O-N 2.84Å; G191-W193 VanDerWaalsContact O-CD1 3.25Å; W193-L199 HydrophobicContact CB-CD1 3.93Å; W193-L199 HydrophobicContact CB-CD2 4.2Å; W193-L210 HydrophobicContact CD2-CD1 3.9Å; W193-L210 HydrophobicContact CE3-CD1 3.54Å; W193-L210 HydrophobicContact CG-CD1 4.38Å; W193-L210 HydrophobicContact CZ3-CD1 3.88Å; W193-L219 HydrophobicContact CB-CB 4.3Å; W193-L219 HydrophobicContact CB-CD1 3.95Å; W193-L219 HydrophobicContact CG-CB 4.45Å; W193-H220 HydrophobicContact CD2-CB 4.46Å; W193-H220 HydrophobicContact CZ2-CB 4.29Å; W193-H220 AromaticContact CZ2-CG 3.89Å; W193-H220 AromaticContact CZ2-ND1 3.79Å; W193-H255 AromaticContact CH2-CE1 3.29Å; W193-H255 WeakPolarHBondContact CH2-CE1 3.34Å; W193-H255 AromaticContact CH2-ND1 3.38Å; W193-H255 WeakPolarHBondContact CH2-ND1 3.35Å; W193-H255 AromaticContact CH2-NE2 3.95Å; W193-H255 AromaticContact CZ3-CE1 3.83Å; W193-H255 AromaticContact CZ3-ND1 3.4Å; W193-H255 WeakPolarHBondContact CZ3-ND1 3.39Å; W193-F257 HydrophobicContact CZ3-CZ 4.47Å | ||
| 194 | G | 70 | Confident | 73.8 | Confident | 13 Ų | 13 | 63.7 Ų | 63.7 | 13% | 0.134 | 37% | 0.365 | C | S | . | . | trans | -63.6 | -176.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S151 A190 G196 K197 | S151-G194 WeakPolarHBondContact CB-O 3.32Å; S151-G194 PolarHBondContact OG-O 3.43Å; A190-G194 PolarHBondContact O-N 2.93Å; G194-G196 PolarHBondContact O-N 3.28Å; G194-K197 WeakPolarHBondContact O-CB 3.49Å; G194-K197 PolarHBondContact O-N 3.14Å | ||
| 195 | E | 78.8 | Confident | 75.7 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | 136.4 | -176.2 | -174.1 | -173.9 | 161.2 | 0 | 0 | 112.9 | K197 | E195-K197 VanDerWaalsContact C-N 3.34Å; E195-K197 PolarHBondContact O-N 3.07Å |
| 196 | G | 79.8 | Confident | 77.7 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -5.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S151 G194 | S151-G196 PolarHBondContact O-N 3.22Å; G194-G196 PolarHBondContact O-N 3.28Å |
| 197 | K | 85.4 | Confident | 79.8 | Confident | 82 Ų | 82 | 52.4 Ų | 52.4 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | trans | -82.8 | 132.5 | 179.5 | -70.6 | -168.8 | 169.9 | -145.6 | 0 | 113 | R150 S151 G192 G194 E195 L199 | R150-K197 CarbonylContact C-O 3.58Å; R150-K197 WeakPolarHBondContact CA-O 3.34Å; S151-K197 PolarHBondContact N-O 2.86Å; G192-K197 WeakPolarHBondContact O-CD 3.25Å; G192-K197 VanDerWaalsContact O-CE 3.23Å; G192-K197 WeakPolarHBondContact O-CE 3.49Å; G192-K197 PolarHBondContact O-NZ 3.43Å; G194-K197 WeakPolarHBondContact O-CB 3.49Å; G194-K197 PolarHBondContact O-N 3.14Å; E195-K197 VanDerWaalsContact C-N 3.34Å; E195-K197 PolarHBondContact O-N 3.07Å; K197-L199 HydrophobicContact CB-CD2 4.48Å; K197-L199 HydrophobicContact CB-CG 4.43Å | ||
| 198 | D | 92.1 | Very high | 81.6 | Confident | 79 Ų | 79 | 50 Ų | 50 | 42% | 0.422 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.7 | 169.8 | -66.9 | -37.9 | 0 | 0 | 0 | 109.9 | R150 P213 | R150-D198 IonicContact CZ-OD1 2.64Å; R150-D198 VanDerWaalsContact CZ-OD1 3.28Å; R150-D198 IonicContact CZ-OD2 2.77Å; R150-D198 IonicContact NE-OD1 3.57Å; R150-D198 PolarHBondContact NE-OD1 3.06Å; R150-D198 IonicContact NE-OD2 3.35Å; R150-D198 IonicContact NH2-OD1 3.5Å; R150-D198 PolarHBondContact NH2-OD1 3.17Å; R150-D198 IonicContact NH2-OD2 3.87Å; R150-D198 PolarHBondContact NH2-OD2 2.77Å; D198-P213 VanDerWaalsContact O-CD 3.27Å; D198-P213 WeakPolarHBondContact O-CD 3.43Å |
| 199 | L | 95.4 | Very high | 83.7 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 156.6 | -168.7 | -61.6 | 172.9 | 0 | 0 | 0 | 110.5 | V149 W193 K197 L210 L219 F257 | V149-L199 HydrophobicContact CG2-CB 4.07Å; V149-L199 PolarHBondContact N-O 2.81Å; V149-L199 PolarHBondContact O-N 2.99Å; W193-L199 HydrophobicContact CB-CD1 3.93Å; W193-L199 HydrophobicContact CB-CD2 4.2Å; K197-L199 HydrophobicContact CB-CD2 4.48Å; K197-L199 HydrophobicContact CB-CG 4.43Å; L199-L210 HydrophobicContact CD1-CD1 4.34Å; L199-L219 HydrophobicContact CD2-CD1 3.5Å; L199-F257 HydrophobicContact CD1-CE1 4.29Å |
| 200 | L | 96 | Very high | 85.7 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 116.2 | 164.4 | -63.4 | 177 | 0 | 0 | 0 | 108.9 | A148 L210 V211 P213 | A148-L200 HydrophobicContact CB-CD2 4.48Å; L200-L210 WeakPolarHBondContact O-CA 3.38Å; L200-V211 HydrophobicContact CB-CB 4.27Å; L200-V211 PolarHBondContact N-O 3.05Å; L200-V211 PolarHBondContact O-N 2.84Å; L200-P213 HydrophobicContact CD1-CB 4.46Å; L200-P213 HydrophobicContact CG-CB 4.27Å; L200-P213 HydrophobicContact CG-CG 4.22Å |
| 201 | L | 97.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 112.8 | 170.2 | -171.4 | 159 | 0 | 0 | 0 | 108.5 | C146 F147 V149 L203 L208 K209 L210 F240 I266 | C146-L201 CarbonylContact C-O 3.6Å; C146-L201 WeakPolarHBondContact CA-O 3.25Å; F147-L201 HydrophobicContact CB-CB 4.45Å; F147-L201 HydrophobicContact CD2-CD2 4.04Å; F147-L201 PolarHBondContact N-O 2.68Å; F147-L201 PolarHBondContact O-N 3.1Å; V149-L201 HydrophobicContact CG1-CB 4.14Å; V149-L201 HydrophobicContact CG2-CB 3.89Å; L201-L203 HydrophobicContact CD2-CD2 3.87Å; L201-L203 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CD1-CD1 4.21Å; L201-L208 HydrophobicContact CD1-CD2 4.39Å; L201-L208 HydrophobicContact CD1-CG 4.43Å; L201-L208 HydrophobicContact CD2-CD1 4.27Å; L201-L208 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CG-CD1 4.39Å; L201-L208 HydrophobicContact CG-CD2 4.18Å; L201-L208 HydrophobicContact CG-CG 4.12Å; L201-K209 WeakPolarHBondContact CA-O 3.29Å; L201-L210 HydrophobicContact CB-CD2 4.21Å; L201-L210 HydrophobicContact CD1-CD2 4.34Å; L201-L210 HydrophobicContact CG-CD2 4.16Å; L201-F240 HydrophobicContact CD1-CD1 4.21Å; L201-F240 HydrophobicContact CD1-CE1 4.16Å; L201-I266 HydrophobicContact CD1-CD1 4.35Å; L201-I266 HydrophobicContact CD1-CG2 4.48Å; L201-I266 HydrophobicContact CD2-CG2 4.06Å |
| 202 | Q | 96.6 | Very high | 89 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.3 | -178.6 | -66.5 | 176.1 | -1.9 | 0 | 0 | 110.3 | K145 C146 L208 K209 | K145-Q202 CarbonylContact O-C 3.57Å; K145-Q202 WeakPolarHBondContact O-CA 3.33Å; C146-Q202 HydrophobicContact CB-CG 4.19Å; Q202-L208 CarbonylContact O-C 3.59Å; Q202-L208 WeakPolarHBondContact O-CA 3.42Å; Q202-K209 HydrophobicContact CB-CB 4.27Å; Q202-K209 PolarHBondContact N-O 3.03Å; Q202-K209 PolarHBondContact O-N 2.89Å |
| 203 | L | 95.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 107.3 | 170.6 | -56.2 | 178.1 | 0 | 0 | 0 | 107.9 | K145 F147 L201 L208 I224 L270 I273 | K145-L203 HydrophobicContact CB-CB 4.38Å; K145-L203 PolarHBondContact N-O 3Å; K145-L203 PolarHBondContact O-N 3.12Å; F147-L203 HydrophobicContact CE2-CD1 3.99Å; F147-L203 HydrophobicContact CE2-CG 4.3Å; L201-L203 HydrophobicContact CD2-CD2 3.87Å; L201-L203 HydrophobicContact CD2-CG 4.09Å; L203-L208 HydrophobicContact CD2-CB 3.95Å; L203-L208 HydrophobicContact CD2-CD1 4.21Å; L203-L208 HydrophobicContact CD2-CG 3.97Å; L203-I224 HydrophobicContact CD2-CD1 4.35Å; L203-L270 HydrophobicContact CD1-CD2 4.13Å; L203-L270 HydrophobicContact CD1-CG 4.01Å; L203-L270 HydrophobicContact CD2-CD2 3.58Å; L203-L270 HydrophobicContact CD2-CG 4.15Å; L203-I273 HydrophobicContact CB-CD1 3.73Å; L203-I273 HydrophobicContact CD1-CD1 4.08Å; L203-I273 HydrophobicContact CG-CD1 4.43Å |
| 204 | E | 92.6 | Very high | 90.9 | Very high | 39 Ų | 39 | 44.4 Ų | 44.4 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 140.3 | -175.3 | -179.4 | -179.1 | -145.1 | 0 | 0 | 109.4 | I144 E206 T207 K209 | I144-E204 HydrophobicContact CD1-CG 4.31Å; I144-E204 WeakPolarHBondContact CD1-OE1 3.45Å; I144-E204 HydrophobicContact CG1-CB 4.24Å; I144-E204 HydrophobicContact CG1-CG 3.88Å; I144-E204 WeakPolarHBondContact CG1-OE1 3.41Å; I144-E204 HydrophobicContact CG2-CB 4.29Å; E204-E206 VanDerWaalsContact C-N 3.31Å; E204-E206 PolarHBondContact O-N 3.08Å; E204-T207 PolarHBondContact N-O 3.3Å; E204-T207 VanDerWaalsContact N-O 3.07Å; E204-T207 CarbonylContact O-C 3.6Å; E204-T207 WeakPolarHBondContact O-CA 3.39Å; E204-T207 WeakPolarHBondContact O-CB 3.43Å; E204-T207 PolarHBondContact O-N 3.32Å; E204-K209 IonicContact OE2-NZ 3.89Å; E204-K209 PolarHBondContact OE2-NZ 2.79Å |
| 205 | D | 88 | Confident | 91.8 | Very high | 125 Ų | 125 | 48 Ų | 48 | 67% | 0.668 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 50.2 | 175.7 | -56.9 | -32.4 | 0 | 0 | 0 | 113.5 | T207 | D205-T207 PolarHBondContact O-N 2.79Å; D205-T207 PolarHBondContact O-OG1 2.79Å |
| 206 | E | 91.6 | Very high | 92.3 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 36% | 0.36 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 22.6 | -179.7 | -53.2 | -171.8 | 162.5 | 0 | 0 | 114.2 | E204 I224 I273 I277 | E204-E206 VanDerWaalsContact C-N 3.31Å; E204-E206 PolarHBondContact O-N 3.08Å; E206-I224 VanDerWaalsContact O-CB 3.25Å; E206-I224 WeakPolarHBondContact O-CB 3.45Å; E206-I224 WeakPolarHBondContact O-CG1 3.27Å; E206-I224 PolarHBondContact O-N 2.97Å; E206-I273 HydrophobicContact CG-CG2 4.47Å; E206-I277 HydrophobicContact CB-CD1 4.04Å; E206-I277 VanDerWaalsContact CD-CG1 3.44Å; E206-I277 HydrophobicContact CG-CD1 4Å; E206-I277 HydrophobicContact CG-CG1 4.04Å; E206-I277 VanDerWaalsContact OE1-CG1 3.26Å; E206-I277 WeakPolarHBondContact OE1-CG1 3.33Å |
| 207 | T | 94.3 | Very high | 92.9 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 18% | 0.184 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.6 | -175.5 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | E204 D205 K209 A221 | E204-T207 PolarHBondContact N-O 3.3Å; E204-T207 VanDerWaalsContact N-O 3.07Å; E204-T207 CarbonylContact O-C 3.6Å; E204-T207 WeakPolarHBondContact O-CA 3.39Å; E204-T207 WeakPolarHBondContact O-CB 3.43Å; E204-T207 PolarHBondContact O-N 3.32Å; D205-T207 PolarHBondContact O-N 2.79Å; D205-T207 PolarHBondContact O-OG1 2.79Å; T207-K209 HydrophobicContact CG2-CG 4.1Å; T207-A221 HydrophobicContact CG2-CB 4.07Å |
| 208 | L | 97 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 118.2 | 167.7 | -176.9 | 160.3 | 0 | 0 | 0 | 108.1 | L201 Q202 L203 L210 A221 Q222 I224 I227 Y242 | L201-L208 HydrophobicContact CD1-CD1 4.21Å; L201-L208 HydrophobicContact CD1-CD2 4.39Å; L201-L208 HydrophobicContact CD1-CG 4.43Å; L201-L208 HydrophobicContact CD2-CD1 4.27Å; L201-L208 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CG-CD1 4.39Å; L201-L208 HydrophobicContact CG-CD2 4.18Å; L201-L208 HydrophobicContact CG-CG 4.12Å; Q202-L208 CarbonylContact O-C 3.59Å; Q202-L208 WeakPolarHBondContact O-CA 3.42Å; L203-L208 HydrophobicContact CD2-CB 3.95Å; L203-L208 HydrophobicContact CD2-CD1 4.21Å; L203-L208 HydrophobicContact CD2-CG 3.97Å; L208-L210 HydrophobicContact CD2-CD2 4.05Å; L208-L210 HydrophobicContact CD2-CG 4.27Å; L208-A221 WeakPolarHBondContact O-CA 3.32Å; L208-Q222 HydrophobicContact CB-CB 4.39Å; L208-Q222 PolarHBondContact N-O 2.95Å; L208-Q222 PolarHBondContact O-N 3.29Å; L208-I224 HydrophobicContact CB-CG1 4.46Å; L208-I227 HydrophobicContact CB-CD1 4.43Å; L208-I227 HydrophobicContact CD1-CD1 4.15Å; L208-Y242 HydrophobicContact CD1-CD1 4.03Å; L208-Y242 HydrophobicContact CD1-CE1 4.12Å; L208-Y242 HydrophobicContact CD2-CE1 4.06Å |
| 209 | K | 96.3 | Very high | 93.2 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 17% | 0.17 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.2 | -179.4 | -60.6 | 177.3 | -171.6 | 174.1 | 0 | 109.8 | L201 Q202 E204 T207 V211 L218 H220 | L201-K209 WeakPolarHBondContact CA-O 3.29Å; Q202-K209 HydrophobicContact CB-CB 4.27Å; Q202-K209 PolarHBondContact N-O 3.03Å; Q202-K209 PolarHBondContact O-N 2.89Å; E204-K209 IonicContact OE2-NZ 3.89Å; E204-K209 PolarHBondContact OE2-NZ 2.79Å; T207-K209 HydrophobicContact CG2-CG 4.1Å; K209-V211 HydrophobicContact CB-CG2 4.34Å; K209-L218 HydrophobicContact CB-CD1 3.75Å; K209-L218 HydrophobicContact CD-CD1 4.2Å; K209-L218 HydrophobicContact CG-CD1 4.02Å; K209-H220 CarbonylContact C-O 3.6Å; K209-H220 WeakPolarHBondContact CA-O 3.32Å |
| 210 | L | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.5 | 168.5 | -57.8 | 178.1 | 0 | 0 | 0 | 108 | W193 L199 L200 L201 L208 L219 H220 F257 | W193-L210 HydrophobicContact CD2-CD1 3.9Å; W193-L210 HydrophobicContact CE3-CD1 3.54Å; W193-L210 HydrophobicContact CG-CD1 4.38Å; W193-L210 HydrophobicContact CZ3-CD1 3.88Å; L199-L210 HydrophobicContact CD1-CD1 4.34Å; L200-L210 WeakPolarHBondContact O-CA 3.38Å; L201-L210 HydrophobicContact CB-CD2 4.21Å; L201-L210 HydrophobicContact CD1-CD2 4.34Å; L201-L210 HydrophobicContact CG-CD2 4.16Å; L208-L210 HydrophobicContact CD2-CD2 4.05Å; L208-L210 HydrophobicContact CD2-CG 4.27Å; L210-L219 PolarHBondContact O-N 2.9Å; L210-H220 HydrophobicContact CB-CB 4.04Å; L210-H220 HydrophobicContact CD1-CB 4Å; L210-H220 HydrophobicContact CG-CB 4.2Å; L210-H220 PolarHBondContact N-O 2.98Å; L210-H220 PolarHBondContact O-N 3.31Å; L210-F257 HydrophobicContact CD1-CE1 3.95Å; L210-F257 HydrophobicContact CD1-CZ 3.89Å; L210-F257 HydrophobicContact CD2-CE1 4Å; L210-F257 HydrophobicContact CD2-CZ 4.17Å |
| 211 | V | 94.8 | Very high | 93 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 140.4 | -172.7 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | L200 K209 Q216 T217 L218 | L200-V211 HydrophobicContact CB-CB 4.27Å; L200-V211 PolarHBondContact N-O 3.05Å; L200-V211 PolarHBondContact O-N 2.84Å; K209-V211 HydrophobicContact CB-CG2 4.34Å; V211-Q216 VanDerWaalsContact CG1-C 3.43Å; V211-Q216 HydrophobicContact CG1-CB 4.3Å; V211-T217 WeakPolarHBondContact CA-O 3.4Å; V211-L218 HydrophobicContact CG2-CD1 4.16Å |
| 212 | E | 92.8 | Very high | 92.9 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | trans | -72.2 | 127.5 | 174.7 | -175.7 | 161.7 | -111.1 | 0 | 0 | 110.6 | Q214 N215 Q216 T217 L219 | E212-Q214 PolarHBondContact O-N 3.37Å; E212-N215 WeakPolarHBondContact CB-OD1 3.44Å; E212-N215 PolarHBondContact OE2-ND2 2.77Å; E212-N215 PolarHBondContact OE2-OD1 2.97Å; E212-N215 VanDerWaalsContact OE2-OD1 3.09Å; E212-Q216 VanDerWaalsContact O-CA 3.3Å; E212-Q216 WeakPolarHBondContact O-CA 3.19Å; E212-Q216 PolarHBondContact O-N 2.9Å; E212-T217 PolarHBondContact N-O 3.39Å; E212-L219 HydrophobicContact CB-CD1 4.18Å; E212-L219 HydrophobicContact CB-CD2 4.46Å; E212-L219 HydrophobicContact CB-CG 4.35Å | ||
| 213 | P | 90.5 | Very high | 92.7 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 26% | 0.26 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -37.4 | -172.5 | -24.1 | 32.6 | 0 | 0 | 0 | 114.5 | D198 L200 Q216 | D198-P213 VanDerWaalsContact O-CD 3.27Å; D198-P213 WeakPolarHBondContact O-CD 3.43Å; L200-P213 HydrophobicContact CD1-CB 4.46Å; L200-P213 HydrophobicContact CG-CB 4.27Å; L200-P213 HydrophobicContact CG-CG 4.22Å; P213-Q216 PolarHBondContact O-NE2 2.87Å |
| 214 | Q | 88.3 | Confident | 92.5 | Very high | 153 Ų | 153 | 52.7 Ų | 52.7 | 72% | 0.715 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -42.9 | -169.5 | -64.7 | 77.7 | 11.2 | 0 | 0 | 113.3 | E212 | E212-Q214 PolarHBondContact O-N 3.37Š|
| 215 | N | 89.4 | Confident | 92.3 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 1.2 | -173.7 | 63.9 | 15.6 | 0 | 0 | 0 | 113.5 | E212 T217 | E212-N215 WeakPolarHBondContact CB-OD1 3.44Å; E212-N215 PolarHBondContact OE2-ND2 2.77Å; E212-N215 PolarHBondContact OE2-OD1 2.97Å; E212-N215 VanDerWaalsContact OE2-OD1 3.09Å; N215-T217 PolarHBondContact ND2-OG1 3.5Å; N215-T217 PolarHBondContact O-N 2.87Å; N215-T217 VanDerWaalsContact OD1-CB 3.22Å; N215-T217 WeakPolarHBondContact OD1-CB 3.46Å; N215-T217 PolarHBondContact OD1-N 3.09Å; N215-T217 PolarHBondContact OD1-OG1 3.17Å |
| 216 | Q | 89.3 | Confident | 92.5 | Very high | 111 Ų | 111 | 50.7 Ų | 50.7 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | trans | 58.9 | 26.9 | -177.9 | -59.9 | -70.5 | -49.4 | 0 | 0 | 113.8 | V211 E212 P213 | V211-Q216 VanDerWaalsContact CG1-C 3.43Å; V211-Q216 HydrophobicContact CG1-CB 4.3Å; E212-Q216 VanDerWaalsContact O-CA 3.3Å; E212-Q216 WeakPolarHBondContact O-CA 3.19Å; E212-Q216 PolarHBondContact O-N 2.9Å; P213-Q216 PolarHBondContact O-NE2 2.87Å | ||
| 217 | T | 91.7 | Very high | 92.5 | Very high | 66 Ų | 66 | 47.8 Ų | 47.8 | 41% | 0.405 | 26% | 0.261 | S | S | . | . | trans | -73.6 | 129.8 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | V211 E212 N215 L219 | V211-T217 WeakPolarHBondContact CA-O 3.4Å; E212-T217 PolarHBondContact N-O 3.39Å; N215-T217 PolarHBondContact ND2-OG1 3.5Å; N215-T217 PolarHBondContact O-N 2.87Å; N215-T217 VanDerWaalsContact OD1-CB 3.22Å; N215-T217 WeakPolarHBondContact OD1-CB 3.46Å; N215-T217 PolarHBondContact OD1-N 3.09Å; N215-T217 PolarHBondContact OD1-OG1 3.17Å; T217-L219 HydrophobicContact CG2-CD2 4.37Å; T217-L219 PolarHBondContact O-N 3.02Å | ||
| 218 | L | 92.1 | Very high | 92.3 | Very high | 97 Ų | 97 | 50.6 Ų | 50.6 | 51% | 0.508 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 114.1 | 173.1 | -179.1 | 66.8 | 0 | 0 | 0 | 110.2 | K209 V211 H220 A221 | K209-L218 HydrophobicContact CB-CD1 3.75Å; K209-L218 HydrophobicContact CD-CD1 4.2Å; K209-L218 HydrophobicContact CG-CD1 4.02Å; V211-L218 HydrophobicContact CG2-CD1 4.16Å; L218-H220 WeakPolarHBondContact CD1-O 3.41Å; L218-A221 HydrophobicContact CD1-CB 4.5Å; L218-A221 HydrophobicContact CD2-CB 4.42Å |
| 219 | L | 92.1 | Very high | 92.1 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -38.3 | 179.4 | -56.8 | -178.9 | 0 | 0 | 0 | 112 | W193 L199 L210 E212 T217 | W193-L219 HydrophobicContact CB-CB 4.3Å; W193-L219 HydrophobicContact CB-CD1 3.95Å; W193-L219 HydrophobicContact CG-CB 4.45Å; L199-L219 HydrophobicContact CD2-CD1 3.5Å; L210-L219 PolarHBondContact O-N 2.9Å; E212-L219 HydrophobicContact CB-CD1 4.18Å; E212-L219 HydrophobicContact CB-CD2 4.46Å; E212-L219 HydrophobicContact CB-CG 4.35Å; T217-L219 HydrophobicContact CG2-CD2 4.37Å; T217-L219 PolarHBondContact O-N 3.02Å |
| 220 | H | 91.9 | Very high | 92.1 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 21% | 0.213 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 146.4 | -178.4 | -173.3 | 70.5 | 0 | 0 | 0 | 111.6 | W193 K209 L210 L218 | W193-H220 HydrophobicContact CD2-CB 4.46Å; W193-H220 HydrophobicContact CZ2-CB 4.29Å; W193-H220 AromaticContact CZ2-CG 3.89Å; W193-H220 AromaticContact CZ2-ND1 3.79Å; K209-H220 CarbonylContact C-O 3.6Å; K209-H220 WeakPolarHBondContact CA-O 3.32Å; L210-H220 HydrophobicContact CB-CB 4.04Å; L210-H220 HydrophobicContact CD1-CB 4Å; L210-H220 HydrophobicContact CG-CB 4.2Å; L210-H220 PolarHBondContact N-O 2.98Å; L210-H220 PolarHBondContact O-N 3.31Å; L218-H220 WeakPolarHBondContact CD1-O 3.41Å |
| 221 | A | 94.1 | Very high | 92 | Very high | 38 Ų | 38 | 54.1 Ų | 54.1 | 31% | 0.314 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 117.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T207 L208 L218 | T207-A221 HydrophobicContact CG2-CB 4.07Å; L208-A221 WeakPolarHBondContact O-CA 3.32Å; L218-A221 HydrophobicContact CD1-CB 4.5Å; L218-A221 HydrophobicContact CD2-CB 4.42Å |
| 222 | Q | 94.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 110.5 | -177.5 | 176.2 | 55.4 | 61.2 | 0 | 0 | 109.7 | L208 I224 I227 Y242 A244 | L208-Q222 HydrophobicContact CB-CB 4.39Å; L208-Q222 PolarHBondContact N-O 2.95Å; L208-Q222 PolarHBondContact O-N 3.29Å; Q222-I224 PolarHBondContact O-N 3.1Å; Q222-I227 HydrophobicContact CG-CD1 4.15Å; Q222-I227 HydrophobicContact CG-CG1 3.73Å; Q222-Y242 HydrophobicContact CG-CE2 3.91Å; Q222-A244 HydrophobicContact CG-CB 4.21Å; Q222-A244 VanDerWaalsContact OE1-CB 3.28Å |
| 223 | P | 93.7 | Very high | 91.7 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 25% | 0.247 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 129.7 | 173 | -24.8 | 34.1 | 0 | 0 | 0 | 110.7 | V225 S226 | P223-V225 HydrophobicContact CB-CG2 3.99Å; P223-V225 PolarHBondContact O-N 2.8Å; P223-S226 PolarHBondContact O-N 3.45Å |
| 224 | I | 92 | Very high | 91.2 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -62.8 | -35.1 | -176.3 | -69.4 | 171.7 | 0 | 0 | 0 | 110.4 | L203 E206 L208 Q222 S226 I227 L270 I273 C274 I277 | L203-I224 HydrophobicContact CD2-CD1 4.35Å; E206-I224 VanDerWaalsContact O-CB 3.25Å; E206-I224 WeakPolarHBondContact O-CB 3.45Å; E206-I224 WeakPolarHBondContact O-CG1 3.27Å; E206-I224 PolarHBondContact O-N 2.97Å; L208-I224 HydrophobicContact CB-CG1 4.46Å; Q222-I224 PolarHBondContact O-N 3.1Å; I224-S226 PolarHBondContact O-N 2.84Å; I224-S226 VanDerWaalsContact O-N 3.12Å; I224-I227 HydrophobicContact CG1-CD1 4.48Å; I224-I227 WeakPolarHBondContact O-CB 3.49Å; I224-I227 PolarHBondContact O-N 3.17Å; I224-I227 VanDerWaalsContact O-N 3.08Å; I224-L270 HydrophobicContact CD1-CD2 3.77Å; I224-L270 HydrophobicContact CG1-CD2 3.85Å; I224-L270 HydrophobicContact CG2-CD2 4.15Å; I224-I273 HydrophobicContact CD1-CB 4.21Å; I224-I273 HydrophobicContact CD1-CD1 3.82Å; I224-I273 HydrophobicContact CD1-CG2 3.64Å; I224-I273 HydrophobicContact CG2-CG2 4.45Å; I224-C274 WeakPolarHBondContact CG2-SG 3.3Å; I224-I277 HydrophobicContact CG2-CD1 4.39Å |
| 225 | V | 88.8 | Confident | 90.6 | Very high | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -61.6 | -18.5 | 175.6 | -61.3 | 0 | 0 | 0 | 0 | 114.4 | P223 I277 R281 | P223-V225 HydrophobicContact CB-CG2 3.99Å; P223-V225 PolarHBondContact O-N 2.8Å; V225-I277 HydrophobicContact CG1-CD1 3.96Å; V225-I277 HydrophobicContact CG1-CG2 4.03Å; V225-R281 VanDerWaalsContact CG1-NH2 3.29Å |
| 226 | S | 91.1 | Very high | 90 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 43% | 0.427 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -102.2 | -1.5 | -179.9 | -61 | 0 | 0 | 0 | 0 | 112.7 | P223 I224 R228 | P223-S226 PolarHBondContact O-N 3.45Å; I224-S226 PolarHBondContact O-N 2.84Å; I224-S226 VanDerWaalsContact O-N 3.12Å; S226-R228 PolarHBondContact O-N 3.47Å |
| 227 | I | 92.1 | Very high | 89.8 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122.9 | 171 | -61.3 | 176.2 | 0 | 0 | 0 | 107.9 | L208 Q222 I224 V229 W230 Y242 L270 | L208-I227 HydrophobicContact CB-CD1 4.43Å; L208-I227 HydrophobicContact CD1-CD1 4.15Å; Q222-I227 HydrophobicContact CG-CD1 4.15Å; Q222-I227 HydrophobicContact CG-CG1 3.73Å; I224-I227 HydrophobicContact CG1-CD1 4.48Å; I224-I227 WeakPolarHBondContact O-CB 3.49Å; I224-I227 PolarHBondContact O-N 3.17Å; I224-I227 VanDerWaalsContact O-N 3.08Å; I227-V229 WeakPolarHBondContact CG2-O 3.41Å; I227-W230 HydrophobicContact CG2-CE3 3.99Å; I227-Y242 HydrophobicContact CD1-CD2 4.41Å; I227-Y242 HydrophobicContact CG1-CD2 4.28Å; I227-Y242 HydrophobicContact CG2-CD2 4.42Å; I227-L270 HydrophobicContact CD1-CD2 4.49Å |
| 228 | R | 89.6 | Confident | 89.9 | Confident | 89 Ų | 89 | 54.7 Ų | 54.7 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -47.9 | -177.4 | -65 | -67.6 | -59.2 | -90.6 | -2.4 | 111.4 | E159 L162 S226 V243 L252 | E159-R228 IonicContact OE1-CZ 3.95Å; E159-R228 IonicContact OE1-NH1 3.74Å; E159-R228 PolarHBondContact OE1-NH1 2.85Å; E159-R228 IonicContact OE1-NH2 3.06Å; E159-R228 PolarHBondContact OE1-NH2 2.82Å; E159-R228 IonicContact OE2-CZ 3.99Å; E159-R228 IonicContact OE2-NH1 2.61Å; E159-R228 PolarHBondContact OE2-NH1 3.49Å; E159-R228 IonicContact OE2-NH2 2.95Å; L162-R228 HydrophobicContact CD1-CB 4.36Å; S226-R228 PolarHBondContact O-N 3.47Å; R228-V243 PolarHBondContact N-O 2.96Å; R228-L252 HydrophobicContact CG-CD2 4.16Å |
| 229 | V | 93.2 | Very high | 90 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 147.2 | -174.8 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | L162 V171 I227 Y242 V243 | L162-V229 HydrophobicContact CD2-CG2 4.27Å; V171-V229 HydrophobicContact CG2-CB 4.5Å; V171-V229 HydrophobicContact CG2-CG1 3.92Å; I227-V229 WeakPolarHBondContact CG2-O 3.41Å; V229-Y242 CarbonylContact O-C 3.6Å; V229-Y242 WeakPolarHBondContact O-CA 3.41Å; V229-V243 HydrophobicContact CB-CB 4.48Å; V229-V243 HydrophobicContact CB-CG2 4.41Å; V229-V243 PolarHBondContact O-N 2.78Å |
| 230 | W | 95.4 | Very high | 90.2 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 161 | 164.2 | 65.5 | 82.1 | 0 | 0 | 0 | 110.2 | I227 F240 A241 L270 H271 C274 | I227-W230 HydrophobicContact CG2-CE3 3.99Å; W230-F240 HydrophobicContact CB-CE2 4.03Å; W230-F240 HydrophobicContact CB-CZ 4.08Å; W230-F240 HydrophobicContact CG-CE2 4.39Å; W230-A241 CarbonylContact C-O 3.54Å; W230-A241 WeakPolarHBondContact CA-O 3.42Å; W230-A241 VanDerWaalsContact CB-O 3.3Å; W230-A241 WeakPolarHBondContact CB-O 3.3Å; W230-L270 HydrophobicContact CD2-CB 4.47Å; W230-L270 HydrophobicContact CD2-CD1 4.39Å; W230-L270 HydrophobicContact CG-CD1 4.3Å; W230-L270 HydrophobicContact CZ2-CB 4.34Å; W230-H271 HydrophobicContact CZ2-CB 4.3Å; W230-C274 HydrophobicContact CH2-CB 4.1Å; W230-C274 VanDerWaalsContact CH2-SG 3.51Å |
| 231 | G | 93.3 | Very high | 90.4 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 162.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | A241 | G231-A241 PolarHBondContact N-O 3.02Å; G231-A241 PolarHBondContact O-N 2.82Å |
| 232 | V | 93.9 | Very high | 90.6 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 25% | 0.248 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.8 | 172.8 | 177 | 0 | 0 | 0 | 0 | 107.7 | R234 D239 A263 A267 | V232-R234 PolarHBondContact O-N 3.03Å; V232-D239 WeakPolarHBondContact CA-O 3.4Å; V232-A263 HydrophobicContact CB-CB 4.47Å; V232-A263 HydrophobicContact CG1-CB 3.73Å; V232-A263 HydrophobicContact CG2-CB 4.09Å; V232-A267 HydrophobicContact CG2-CB 3.75Å |
| 233 | G | 87.8 | Confident | 90.7 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | trans | -63.8 | 128.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D235 G237 D239 | G233-D235 VanDerWaalsContact C-N 3.32Å; G233-G237 WeakPolarHBondContact O-CA 3.39Å; G233-G237 PolarHBondContact O-N 3.25Å; G233-G237 VanDerWaalsContact O-N 3.1Å; G233-D239 PolarHBondContact N-O 3.16Å | ||
| 234 | R | 79.8 | Confident | 90.7 | Very high | 192 Ų | 192 | 42 Ų | 42 | 73% | 0.725 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -31.9 | 179.6 | -66.6 | -177.6 | -175.8 | -172.4 | 1.7 | 113.2 | N172 V232 | N172-R234 PolarHBondContact OD1-N 2.85Å; V232-R234 PolarHBondContact O-N 3.03Å |
| 235 | D | 76.8 | Confident | 90.7 | Very high | 82 Ų | 82 | 45.9 Ų | 45.9 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -44.5 | -168.7 | -49.1 | -45 | 0 | 0 | 0 | 111.5 | R176 G233 | R176-D235 WeakPolarHBondContact CG-OD2 3.35Å; R176-D235 IonicContact CZ-OD1 3.86Å; R176-D235 IonicContact CZ-OD2 3.24Å; R176-D235 IonicContact NE-OD1 3.81Å; R176-D235 IonicContact NE-OD2 2.7Å; R176-D235 PolarHBondContact NE-OD2 2.85Å; R176-D235 IonicContact NH2-OD1 4Å; R176-D235 PolarHBondContact NH2-OD1 2.91Å; R176-D235 IonicContact NH2-OD2 3.9Å; R176-D235 PolarHBondContact NH2-OD2 2.59Å; G233-D235 VanDerWaalsContact C-N 3.32Å |
| 236 | S | 76.4 | Confident | 90.6 | Very high | 57 Ų | 57 | 45 Ų | 45 | 40% | 0.399 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -24.3 | -178.4 | 73.3 | 0 | 0 | 0 | 0 | 114.1 | R238 D239 | S236-R238 PolarHBondContact O-N 3.42Å; S236-R238 PolarHBondContact OG-N 2.9Å; S236-D239 WeakPolarHBondContact CB-OD2 3.36Å; S236-D239 VanDerWaalsContact OG-CG 3.3Å; S236-D239 PolarHBondContact OG-N 3.29Å; S236-D239 PolarHBondContact OG-OD2 2.87Å |
| 237 | G | 85.3 | Confident | 90.1 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 32% | 0.32 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 61.5 | 2.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115 | G233 A263 | G233-G237 WeakPolarHBondContact O-CA 3.39Å; G233-G237 PolarHBondContact O-N 3.25Å; G233-G237 VanDerWaalsContact O-N 3.1Å; G237-A263 PolarHBondContact O-N 2.83Å |
| 238 | R | 92.7 | Very high | 89.6 | Confident | 127 Ų | 127 | 56.6 Ų | 56.6 | 48% | 0.479 | 27% | 0.27 | S | S | . | . | trans | -111 | -15.5 | -176.3 | -73.4 | -179.7 | 175 | -96.1 | 1.3 | 112.7 | S236 C259 E260 | S236-R238 PolarHBondContact O-N 3.42Å; S236-R238 PolarHBondContact OG-N 2.9Å; R238-C259 WeakPolarHBondContact O-CB 3.34Å; R238-C259 PolarHBondContact O-N 2.83Å; R238-C259 PolarHBondContact O-SG 2.82Å; R238-C259 VanDerWaalsContact O-SG 3.32Å; R238-E260 PolarHBondContact NH1-O 3.1Å | ||
| 239 | D | 94.8 | Very high | 89.3 | Confident | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.4 | 177.4 | -53.6 | -51.7 | 0 | 0 | 0 | 109.9 | I175 S179 V232 G233 S236 F257 R258 | I175-D239 HydrophobicContact CG2-CB 3.53Å; S179-D239 PolarHBondContact OG-OD2 2.68Å; V232-D239 WeakPolarHBondContact CA-O 3.4Å; G233-D239 PolarHBondContact N-O 3.16Å; S236-D239 WeakPolarHBondContact CB-OD2 3.36Å; S236-D239 VanDerWaalsContact OG-CG 3.3Å; S236-D239 PolarHBondContact OG-N 3.29Å; S236-D239 PolarHBondContact OG-OD2 2.87Å; D239-F257 CarbonylContact C-O 3.58Å; D239-F257 WeakPolarHBondContact CA-O 3.49Å; D239-R258 IonicContact OD1-CZ 2.93Å; D239-R258 IonicContact OD1-NE 3.63Å; D239-R258 PolarHBondContact OD1-NE 2.85Å; D239-R258 IonicContact OD1-NH2 3.84Å |
| 240 | F | 96.6 | Very high | 89 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 141.7 | 176.1 | 173.2 | -105.5 | 0 | 0 | 0 | 108.8 | L201 W230 Y242 F257 A263 I266 L270 | L201-F240 HydrophobicContact CD1-CD1 4.21Å; L201-F240 HydrophobicContact CD1-CE1 4.16Å; W230-F240 HydrophobicContact CB-CE2 4.03Å; W230-F240 HydrophobicContact CB-CZ 4.08Å; W230-F240 HydrophobicContact CG-CE2 4.39Å; F240-Y242 HydrophobicContact CE1-CD1 4.03Å; F240-F257 HydrophobicContact CD1-CD2 4.15Å; F240-F257 PolarHBondContact N-O 3.35Å; F240-F257 PolarHBondContact O-N 3Å; F240-A263 HydrophobicContact CB-CB 3.87Å; F240-I266 HydrophobicContact CB-CD1 4.4Å; F240-I266 HydrophobicContact CD1-CD1 4.42Å; F240-I266 HydrophobicContact CD1-CG2 4.07Å; F240-I266 HydrophobicContact CD2-CB 4.15Å; F240-I266 HydrophobicContact CD2-CG2 4.03Å; F240-I266 HydrophobicContact CE1-CG2 3.87Å; F240-I266 HydrophobicContact CE2-CB 4.34Å; F240-I266 HydrophobicContact CE2-CG2 3.84Å; F240-I266 HydrophobicContact CG-CB 4.36Å; F240-I266 HydrophobicContact CG-CD1 4.33Å; F240-I266 HydrophobicContact CG-CG2 4.16Å; F240-I266 HydrophobicContact CZ-CG2 3.78Å; F240-L270 HydrophobicContact CE1-CD1 4.4Å; F240-L270 HydrophobicContact CE2-CD1 3.92Å; F240-L270 HydrophobicContact CZ-CD1 3.4Å; F240-L270 VanDerWaalsContact CZ-CD1 3.4Å |
| 241 | A | 96.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V171 I175 W230 G231 H255 V256 | V171-A241 HydrophobicContact CG1-CB 3.8Å; I175-A241 HydrophobicContact CD1-CB 3.83Å; I175-A241 HydrophobicContact CG1-CB 3.73Å; W230-A241 CarbonylContact C-O 3.54Å; W230-A241 WeakPolarHBondContact CA-O 3.42Å; W230-A241 VanDerWaalsContact CB-O 3.3Å; W230-A241 WeakPolarHBondContact CB-O 3.3Å; G231-A241 PolarHBondContact N-O 3.02Å; G231-A241 PolarHBondContact O-N 2.82Å; A241-H255 WeakPolarHBondContact CA-O 3.48Å; A241-V256 HydrophobicContact CB-CG2 3.97Å |
| 242 | Y | 97.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 149.7 | 167.5 | 77.6 | -95.3 | 0 | 0 | 0 | 111 | L208 Q222 I227 V229 F240 A244 H255 F257 | L208-Y242 HydrophobicContact CD1-CD1 4.03Å; L208-Y242 HydrophobicContact CD1-CE1 4.12Å; L208-Y242 HydrophobicContact CD2-CE1 4.06Å; Q222-Y242 HydrophobicContact CG-CE2 3.91Å; I227-Y242 HydrophobicContact CD1-CD2 4.41Å; I227-Y242 HydrophobicContact CG1-CD2 4.28Å; I227-Y242 HydrophobicContact CG2-CD2 4.42Å; V229-Y242 CarbonylContact O-C 3.6Å; V229-Y242 WeakPolarHBondContact O-CA 3.41Å; F240-Y242 HydrophobicContact CE1-CD1 4.03Å; Y242-A244 HydrophobicContact CD2-CB 4.13Å; Y242-A244 HydrophobicContact CE2-CB 3.96Å; Y242-H255 HydrophobicContact CD1-CB 4.28Å; Y242-H255 HydrophobicContact CE1-CB 3.9Å; Y242-H255 HydrophobicContact CE2-CB 4.43Å; Y242-H255 AromaticContact CE2-CD2 3.63Å; Y242-H255 AromaticContact CZ-CD2 3.71Å; Y242-H255 PolarHBondContact N-O 3.43Å; Y242-H255 PolarHBondContact O-N 3.24Å; Y242-F257 HydrophobicContact CD1-CD2 4.49Å; Y242-F257 AromaticContact CD1-CE2 3.74Å; Y242-F257 HydrophobicContact CD1-CE2 3.74Å; Y242-F257 HydrophobicContact CE1-CD2 4.5Å; Y242-F257 AromaticContact CE1-CE2 3.42Å; Y242-F257 HydrophobicContact CE1-CE2 3.42Å; Y242-F257 VanDerWaalsContact CE1-CE2 3.42Å; Y242-F257 AromaticContact CE1-CZ 3.88Å; Y242-F257 HydrophobicContact CE1-CZ 3.88Å |
| 243 | V | 96.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.2 | 177.2 | -171 | 0 | 0 | 0 | 0 | 109.4 | M157 L162 V171 R228 V229 L252 K253 C254 | M157-V243 HydrophobicContact CG-CG1 4.32Å; L162-V243 HydrophobicContact CD1-CG1 3.68Å; L162-V243 HydrophobicContact CD2-CB 4.34Å; L162-V243 HydrophobicContact CD2-CG1 4.01Å; L162-V243 HydrophobicContact CD2-CG2 4.09Å; L162-V243 HydrophobicContact CG-CG1 4.48Å; V171-V243 HydrophobicContact CG2-CG2 3.86Å; R228-V243 PolarHBondContact N-O 2.96Å; V229-V243 HydrophobicContact CB-CB 4.48Å; V229-V243 HydrophobicContact CB-CG2 4.41Å; V229-V243 PolarHBondContact O-N 2.78Å; V243-L252 HydrophobicContact CG1-CB 4.4Å; V243-K253 WeakPolarHBondContact CA-O 3.24Å; V243-C254 HydrophobicContact CG2-CB 3.95Å |
| 244 | A | 94.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 159.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q222 Y242 K253 | Q222-A244 HydrophobicContact CG-CB 4.21Å; Q222-A244 VanDerWaalsContact OE1-CB 3.28Å; Y242-A244 HydrophobicContact CD2-CB 4.13Å; Y242-A244 HydrophobicContact CE2-CB 3.96Å; A244-K253 PolarHBondContact N-O 2.9Å; A244-K253 VanDerWaalsContact N-O 3.16Å; A244-K253 PolarHBondContact O-N 2.8Å |
| 245 | R | 91.2 | Very high | 89.9 | Confident | 83 Ų | 83 | 47.8 Ų | 47.8 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 127.3 | 174.4 | -171.5 | 174.4 | -73.6 | -171.2 | -2.1 | 109.7 | E159 Q250 M251 L252 | E159-R245 IonicContact OE2-NH2 2.71Å; R245-Q250 WeakPolarHBondContact CD-O 3.18Å; R245-Q250 VanDerWaalsContact CD-OE1 3.25Å; R245-Q250 VanDerWaalsContact CG-O 3.31Å; R245-Q250 WeakPolarHBondContact CG-O 3.15Å; R245-M251 CarbonylContact C-O 3.56Å; R245-M251 WeakPolarHBondContact CA-O 3.33Å; R245-L252 HydrophobicContact CB-CD2 4.08Å |
| 246 | D | 87.9 | Confident | 90.8 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | trans | -64.1 | 132.2 | 172.5 | -170.8 | -75.5 | 0 | 0 | 0 | 110.2 | L248 T249 Q250 M251 K253 | D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 2.92Å; D246-L248 PolarHBondContact OD1-N 3.02Å; D246-T249 WeakPolarHBondContact CB-OG1 3.34Å; D246-T249 PolarHBondContact OD1-N 2.82Å; D246-T249 PolarHBondContact OD1-OG1 3.03Å; D246-Q250 VanDerWaalsContact O-CA 3.24Å; D246-Q250 WeakPolarHBondContact O-CA 3.48Å; D246-Q250 PolarHBondContact O-N 2.98Å; D246-M251 PolarHBondContact N-O 3.46Å; D246-K253 HydrophobicContact CB-CD 4.2Å; D246-K253 IonicContact OD2-NZ 3.39Å; D246-K253 PolarHBondContact OD2-NZ 3.39Å | ||
| 247 | K | 80.6 | Confident | 91.7 | Very high | 157 Ų | 157 | 41.2 Ų | 41.2 | 68% | 0.683 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -33.3 | -175.1 | -67.6 | -177 | -177.7 | 176 | 0 | 112.6 | Q250 | K247-Q250 PolarHBondContact O-NE2 3.29Š|
| 248 | L | 81.4 | Confident | 92.2 | Very high | 163 Ų | 163 | 44.3 Ų | 44.3 | 85% | 0.853 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -49.4 | -174.1 | -61.7 | 175.3 | 0 | 0 | 0 | 110.5 | D246 | D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 2.92Å; D246-L248 PolarHBondContact OD1-N 3.02Å |
| 249 | T | 83.2 | Confident | 92.3 | Very high | 57 Ų | 57 | 38.6 Ų | 38.6 | 35% | 0.35 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -11 | -173.8 | 70.3 | 0 | 0 | 0 | 0 | 113.6 | D246 M251 | D246-T249 WeakPolarHBondContact CB-OG1 3.34Å; D246-T249 PolarHBondContact OD1-N 2.82Å; D246-T249 PolarHBondContact OD1-OG1 3.03Å; T249-M251 HydrophobicContact CG2-SD 4.33Å; T249-M251 PolarHBondContact O-N 2.8Å; T249-M251 WeakPolarHBondContact OG1-CB 3.3Å; T249-M251 WeakPolarHBondContact OG1-CG 3.46Å; T249-M251 PolarHBondContact OG1-N 3.45Å; T249-M251 PolarHBondContact OG1-SD 3.32Å |
| 250 | Q | 86.7 | Confident | 92.2 | Very high | 106 Ų | 106 | 45 Ų | 45 | 50% | 0.495 | 21% | 0.212 | S | C | . | . | trans | 58.5 | 9 | -172.3 | -60.6 | -63.4 | -56.9 | 0 | 0 | 114.5 | R245 D246 K247 | R245-Q250 WeakPolarHBondContact CD-O 3.18Å; R245-Q250 VanDerWaalsContact CD-OE1 3.25Å; R245-Q250 VanDerWaalsContact CG-O 3.31Å; R245-Q250 WeakPolarHBondContact CG-O 3.15Å; D246-Q250 VanDerWaalsContact O-CA 3.24Å; D246-Q250 WeakPolarHBondContact O-CA 3.48Å; D246-Q250 PolarHBondContact O-N 2.98Å; K247-Q250 PolarHBondContact O-NE2 3.29Å | ||
| 251 | M | 88.6 | Confident | 92 | Very high | 50 Ų | 50 | 46.9 Ų | 46.9 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | trans | -75.7 | 144.7 | 176.9 | -63.8 | 163.1 | 73.1 | 0 | 0 | 110.8 | W154 E156 R245 D246 T249 | W154-M251 HydrophobicContact CZ3-CE 4.44Å; E156-M251 HydrophobicContact CB-CE 4.18Å; E156-M251 HydrophobicContact CG-CE 3.8Å; E156-M251 VanDerWaalsContact OE1-CE 3.29Å; E156-M251 WeakPolarHBondContact OE1-CE 3.49Å; E156-M251 WeakPolarHBondContact OE2-CE 3.06Å; R245-M251 CarbonylContact C-O 3.56Å; R245-M251 WeakPolarHBondContact CA-O 3.33Å; D246-M251 PolarHBondContact N-O 3.46Å; T249-M251 HydrophobicContact CG2-SD 4.33Å; T249-M251 PolarHBondContact O-N 2.8Å; T249-M251 WeakPolarHBondContact OG1-CB 3.3Å; T249-M251 WeakPolarHBondContact OG1-CG 3.46Å; T249-M251 PolarHBondContact OG1-N 3.45Å; T249-M251 PolarHBondContact OG1-SD 3.32Å | ||
| 252 | L | 93.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 123.4 | 169.9 | -67.5 | 158.2 | 0 | 0 | 0 | 108.6 | E156 M157 E159 L162 R228 V243 R245 | E156-L252 WeakPolarHBondContact CA-O 3.43Å; M157-L252 HydrophobicContact CB-CB 4.01Å; M157-L252 PolarHBondContact N-O 2.84Å; M157-L252 WeakPolarHBondContact O-CB 3.38Å; E159-L252 HydrophobicContact CB-CD1 4.42Å; L162-L252 HydrophobicContact CD1-CB 4.41Å; L162-L252 HydrophobicContact CD1-CD1 3.67Å; L162-L252 HydrophobicContact CD1-CD2 3.89Å; L162-L252 HydrophobicContact CD1-CG 4.2Å; R228-L252 HydrophobicContact CG-CD2 4.16Å; V243-L252 HydrophobicContact CG1-CB 4.4Å; R245-L252 HydrophobicContact CB-CD2 4.08Å |
| 253 | K | 95.1 | Very high | 91.7 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 8% | 0.078 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.8 | -179.8 | -65.6 | -179.6 | 179.2 | 171.2 | 0 | 109.4 | W154 V243 A244 D246 H255 | W154-K253 HydrophobicContact CD2-CD 4.07Å; W154-K253 HydrophobicContact CD2-CG 4.32Å; W154-K253 HydrophobicContact CE3-CB 4.25Å; W154-K253 HydrophobicContact CE3-CD 3.95Å; W154-K253 HydrophobicContact CE3-CG 3.77Å; W154-K253 HydrophobicContact CZ3-CD 4.26Å; W154-K253 HydrophobicContact CZ3-CG 4.11Å; V243-K253 WeakPolarHBondContact CA-O 3.24Å; A244-K253 PolarHBondContact N-O 2.9Å; A244-K253 VanDerWaalsContact N-O 3.16Å; A244-K253 PolarHBondContact O-N 2.8Å; D246-K253 HydrophobicContact CB-CD 4.2Å; D246-K253 IonicContact OD2-NZ 3.39Å; D246-K253 PolarHBondContact OD2-NZ 3.39Å; K253-H255 VanDerWaalsContact CB-NE2 3.32Å; K253-H255 WeakPolarHBondContact CB-NE2 3.33Å |
| 254 | C | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 104.5 | 168.3 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | W154 V155 M157 C174 V243 | W154-C254 CarbonylContact C-O 3.56Å; W154-C254 WeakPolarHBondContact CA-O 3.4Å; W154-C254 WeakPolarHBondContact CB-O 3.31Å; V155-C254 PolarHBondContact N-O 2.82Å; V155-C254 PolarHBondContact O-N 2.64Å; M157-C254 HydrophobicContact CG-CB 3.65Å; M157-C254 HydrophobicContact SD-CB 3.82Å; C174-C254 HydrophobicContact CB-CB 4.2Å; C174-C254 WeakPolarHBondContact CB-SG 3.44Å; V243-C254 HydrophobicContact CG2-CB 3.95Å |
| 255 | H | 95.8 | Very high | 91.4 | Very high | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.06 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128.6 | 177.8 | -62.3 | -74.7 | 0 | 0 | 0 | 109.7 | W154 W193 A241 Y242 K253 F257 | W154-H255 WeakPolarHBondContact CB-ND1 3.12Å; W193-H255 AromaticContact CH2-CE1 3.29Å; W193-H255 WeakPolarHBondContact CH2-CE1 3.34Å; W193-H255 AromaticContact CH2-ND1 3.38Å; W193-H255 WeakPolarHBondContact CH2-ND1 3.35Å; W193-H255 AromaticContact CH2-NE2 3.95Å; W193-H255 AromaticContact CZ3-CE1 3.83Å; W193-H255 AromaticContact CZ3-ND1 3.4Å; W193-H255 WeakPolarHBondContact CZ3-ND1 3.39Å; A241-H255 WeakPolarHBondContact CA-O 3.48Å; Y242-H255 HydrophobicContact CD1-CB 4.28Å; Y242-H255 HydrophobicContact CE1-CB 3.9Å; Y242-H255 HydrophobicContact CE2-CB 4.43Å; Y242-H255 AromaticContact CE2-CD2 3.63Å; Y242-H255 AromaticContact CZ-CD2 3.71Å; Y242-H255 PolarHBondContact N-O 3.43Å; Y242-H255 PolarHBondContact O-N 3.24Å; K253-H255 VanDerWaalsContact CB-NE2 3.32Å; K253-H255 WeakPolarHBondContact CB-NE2 3.33Å; H255-F257 HydrophobicContact CB-CE2 3.61Å; H255-F257 HydrophobicContact CB-CZ 3.92Å |
| 256 | V | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137 | -176.5 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | L152 G153 C174 I175 L178 A241 | L152-V256 HydrophobicContact CB-CB 4.29Å; L152-V256 HydrophobicContact CB-CG1 4.26Å; L152-V256 HydrophobicContact CD1-CG1 3.97Å; L152-V256 PolarHBondContact N-O 3.4Å; G153-V256 PolarHBondContact O-N 3.23Å; C174-V256 HydrophobicContact CB-CG2 4.36Å; I175-V256 HydrophobicContact CG1-CG1 4.07Å; I175-V256 HydrophobicContact CG1-CG2 4.29Å; L178-V256 HydrophobicContact CB-CB 4.4Å; L178-V256 HydrophobicContact CD1-CB 3.83Å; L178-V256 HydrophobicContact CD1-CG2 3.66Å; A241-V256 HydrophobicContact CB-CG2 3.97Å |
| 257 | F | 95.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.3 | -177.3 | -55.8 | -88.9 | 0 | 0 | 0 | 110.6 | V149 R150 W193 L199 L210 D239 F240 Y242 H255 | V149-F257 HydrophobicContact CB-CB 4.09Å; V149-F257 HydrophobicContact CG2-CB 4.33Å; V149-F257 HydrophobicContact CG2-CD1 3.92Å; V149-F257 HydrophobicContact CG2-CG 4.39Å; R150-F257 CarbonylContact O-C 3.48Å; R150-F257 VanDerWaalsContact O-CA 3.31Å; R150-F257 WeakPolarHBondContact O-CA 3.35Å; W193-F257 HydrophobicContact CZ3-CZ 4.47Å; L199-F257 HydrophobicContact CD1-CE1 4.29Å; L210-F257 HydrophobicContact CD1-CE1 3.95Å; L210-F257 HydrophobicContact CD1-CZ 3.89Å; L210-F257 HydrophobicContact CD2-CE1 4Å; L210-F257 HydrophobicContact CD2-CZ 4.17Å; D239-F257 CarbonylContact C-O 3.58Å; D239-F257 WeakPolarHBondContact CA-O 3.49Å; F240-F257 HydrophobicContact CD1-CD2 4.15Å; F240-F257 PolarHBondContact N-O 3.35Å; F240-F257 PolarHBondContact O-N 3Å; Y242-F257 HydrophobicContact CD1-CD2 4.49Å; Y242-F257 AromaticContact CD1-CE2 3.74Å; Y242-F257 HydrophobicContact CD1-CE2 3.74Å; Y242-F257 HydrophobicContact CE1-CD2 4.5Å; Y242-F257 AromaticContact CE1-CE2 3.42Å; Y242-F257 HydrophobicContact CE1-CE2 3.42Å; Y242-F257 VanDerWaalsContact CE1-CE2 3.42Å; Y242-F257 AromaticContact CE1-CZ 3.88Å; Y242-F257 HydrophobicContact CE1-CZ 3.88Å; H255-F257 HydrophobicContact CB-CE2 3.61Å; H255-F257 HydrophobicContact CB-CZ 3.92Å |
| 258 | R | 94.3 | Very high | 92.3 | Very high | 95 Ų | 95 | 50 Ų | 50 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.3 | 168.8 | -174 | 158.7 | -66.3 | 147.3 | -0.3 | 109.8 | V149 R150 L152 S179 D239 | V149-R258 CarbonylContact C-O 3.59Å; V149-R258 VanDerWaalsContact CA-O 3.3Å; V149-R258 WeakPolarHBondContact CA-O 3.29Å; R150-R258 HydrophobicContact CB-CB 4.43Å; R150-R258 PolarHBondContact N-O 2.77Å; R150-R258 PolarHBondContact O-N 3.13Å; L152-R258 HydrophobicContact CD1-CB 4.17Å; L152-R258 HydrophobicContact CD2-CB 4.17Å; L152-R258 HydrophobicContact CG-CB 4.2Å; S179-R258 VanDerWaalsContact CB-NH2 3.33Å; S179-R258 PolarHBondContact O-NH2 2.93Å; S179-R258 PolarHBondContact OG-NH2 3.49Å; D239-R258 IonicContact OD1-CZ 2.93Å; D239-R258 IonicContact OD1-NE 3.63Å; D239-R258 PolarHBondContact OD1-NE 2.85Å; D239-R258 IonicContact OD1-NH2 3.84Å |
| 259 | C | 95.3 | Very high | 92.8 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 141.4 | -174 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | V149 R238 A261 A263 I266 | V149-C259 HydrophobicContact CG1-CB 4.31Å; R238-C259 WeakPolarHBondContact O-CB 3.34Å; R238-C259 PolarHBondContact O-N 2.83Å; R238-C259 PolarHBondContact O-SG 2.82Å; R238-C259 VanDerWaalsContact O-SG 3.32Å; C259-A261 CarbonylContact C-O 3.54Å; C259-A261 WeakPolarHBondContact CB-O 3.28Å; C259-A263 HydrophobicContact CB-CB 4.44Å; C259-I266 VanDerWaalsContact SG-CD1 3.52Å |
| 260 | E | 93.7 | Very high | 93.3 | Very high | 143 Ų | 143 | 40 Ų | 40 | 67% | 0.668 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -71 | -37.4 | 170.6 | -68.1 | -170.5 | 170.3 | 0 | 0 | 111.9 | A148 R238 | A148-E260 HydrophobicContact CB-CB 4.3Å; A148-E260 HydrophobicContact CB-CG 4Å; A148-E260 WeakPolarHBondContact CB-OE2 3.49Å; A148-E260 PolarHBondContact O-N 3.21Å; A148-E260 VanDerWaalsContact O-N 3.13Å; R238-E260 PolarHBondContact NH1-O 3.1Å |
| 261 | A | 92.8 | Very high | 93.4 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 31% | 0.314 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -91.4 | 163.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | C259 A263 | C259-A261 CarbonylContact C-O 3.54Å; C259-A261 WeakPolarHBondContact CB-O 3.28Å; A261-A263 PolarHBondContact O-N 2.76Å |
| 262 | P | 93.6 | Very high | 93.4 | Very high | 60 Ų | 60 | 42.6 Ų | 42.6 | 39% | 0.39 | 22% | 0.216 | S | C | . | . | trans | -53.7 | 125.4 | 173.5 | -27.4 | 36.3 | 0 | 0 | 0 | 111.9 | K264 N265 | P262-K264 HydrophobicContact CB-CD 4.42Å; P262-K264 HydrophobicContact CB-CG 3.88Å; P262-K264 PolarHBondContact O-N 2.86Å; P262-N265 WeakPolarHBondContact O-CB 3.44Å; P262-N265 PolarHBondContact O-N 3.24Å | ||
| 263 | A | 93.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V232 G237 F240 C259 A261 N265 I266 A267 | V232-A263 HydrophobicContact CB-CB 4.47Å; V232-A263 HydrophobicContact CG1-CB 3.73Å; V232-A263 HydrophobicContact CG2-CB 4.09Å; G237-A263 PolarHBondContact O-N 2.83Å; F240-A263 HydrophobicContact CB-CB 3.87Å; C259-A263 HydrophobicContact CB-CB 4.44Å; A261-A263 PolarHBondContact O-N 2.76Å; A263-N265 PolarHBondContact O-N 3.27Å; A263-I266 PolarHBondContact O-N 3.44Å; A263-I266 VanDerWaalsContact O-N 3.14Å; A263-A267 PolarHBondContact O-N 3.36Å |
| 264 | K | 92 | Very high | 92.8 | Very high | 134 Ų | 134 | 43.8 Ų | 43.8 | 58% | 0.583 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -53.5 | -32.3 | 170.6 | 70.9 | 177.6 | -176.3 | 176.9 | 0 | 112.9 | P262 I266 A267 T268 | P262-K264 HydrophobicContact CB-CD 4.42Å; P262-K264 HydrophobicContact CB-CG 3.88Å; P262-K264 PolarHBondContact O-N 2.86Å; K264-I266 VanDerWaalsContact C-N 3.31Å; K264-I266 PolarHBondContact O-N 2.68Å; K264-A267 PolarHBondContact O-N 2.81Å; K264-T268 WeakPolarHBondContact O-CB 3.49Å; K264-T268 PolarHBondContact O-N 3.02Å; K264-T268 PolarHBondContact O-OG1 2.95Å |
| 265 | N | 93.1 | Very high | 92.4 | Very high | 63 Ų | 63 | 46.4 Ų | 46.4 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.6 | -38.2 | -178.4 | -63.9 | -0.4 | 0 | 0 | 0 | 111.2 | F147 P262 A263 S269 | F147-N265 HydrophobicContact CE1-CB 3.93Å; P262-N265 WeakPolarHBondContact O-CB 3.44Å; P262-N265 PolarHBondContact O-N 3.24Å; A263-N265 PolarHBondContact O-N 3.27Å; N265-S269 VanDerWaalsContact O-CB 3.29Å; N265-S269 WeakPolarHBondContact O-CB 3.47Å; N265-S269 PolarHBondContact O-N 3.18Å; N265-S269 VanDerWaalsContact O-N 3.08Å; N265-S269 PolarHBondContact O-OG 3.25Å |
| 266 | I | 94.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -48.8 | 174.8 | -54.7 | -176.7 | 0 | 0 | 0 | 109.5 | F147 V149 L201 F240 C259 A263 K264 T268 S269 L270 | F147-I266 HydrophobicContact CB-CD1 3.87Å; F147-I266 HydrophobicContact CB-CG1 4.09Å; F147-I266 HydrophobicContact CD1-CD1 4.37Å; F147-I266 HydrophobicContact CD1-CG1 3.67Å; F147-I266 HydrophobicContact CD2-CD1 4.33Å; F147-I266 HydrophobicContact CD2-CG1 3.83Å; F147-I266 HydrophobicContact CE1-CG1 4Å; F147-I266 HydrophobicContact CE2-CG1 4.14Å; F147-I266 HydrophobicContact CG-CD1 3.95Å; F147-I266 HydrophobicContact CG-CG1 3.58Å; F147-I266 HydrophobicContact CZ-CG1 4.21Å; V149-I266 HydrophobicContact CG1-CD1 3.99Å; L201-I266 HydrophobicContact CD1-CD1 4.35Å; L201-I266 HydrophobicContact CD1-CG2 4.48Å; L201-I266 HydrophobicContact CD2-CG2 4.06Å; F240-I266 HydrophobicContact CB-CD1 4.4Å; F240-I266 HydrophobicContact CD1-CD1 4.42Å; F240-I266 HydrophobicContact CD1-CG2 4.07Å; F240-I266 HydrophobicContact CD2-CB 4.15Å; F240-I266 HydrophobicContact CD2-CG2 4.03Å; F240-I266 HydrophobicContact CE1-CG2 3.87Å; F240-I266 HydrophobicContact CE2-CB 4.34Å; F240-I266 HydrophobicContact CE2-CG2 3.84Å; F240-I266 HydrophobicContact CG-CB 4.36Å; F240-I266 HydrophobicContact CG-CD1 4.33Å; F240-I266 HydrophobicContact CG-CG2 4.16Å; F240-I266 HydrophobicContact CZ-CG2 3.78Å; C259-I266 VanDerWaalsContact SG-CD1 3.52Å; A263-I266 PolarHBondContact O-N 3.44Å; A263-I266 VanDerWaalsContact O-N 3.14Å; K264-I266 VanDerWaalsContact C-N 3.31Å; K264-I266 PolarHBondContact O-N 2.68Å; I266-T268 PolarHBondContact O-N 3.35Å; I266-S269 PolarHBondContact O-N 3.48Å; I266-S269 VanDerWaalsContact O-N 3.16Å; I266-L270 HydrophobicContact CG2-CD1 4.22Å; I266-L270 PolarHBondContact O-N 2.96Å |
| 267 | A | 92.9 | Very high | 91.4 | Very high | 15 Ų | 15 | 52 Ų | 52 | 12% | 0.124 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -43.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V232 A263 K264 S269 L270 H271 | V232-A267 HydrophobicContact CG2-CB 3.75Å; A263-A267 PolarHBondContact O-N 3.36Å; K264-A267 PolarHBondContact O-N 2.81Å; A267-S269 VanDerWaalsContact C-N 3.35Å; A267-L270 PolarHBondContact O-N 3.47Å; A267-H271 WeakPolarHBondContact O-CB 3.31Å; A267-H271 PolarHBondContact O-N 3.31Å |
| 268 | T | 90.3 | Very high | 90.7 | Very high | 75 Ų | 75 | 57.1 Ų | 57.1 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 174.9 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | K264 I266 H271 E272 | K264-T268 WeakPolarHBondContact O-CB 3.49Å; K264-T268 PolarHBondContact O-N 3.02Å; K264-T268 PolarHBondContact O-OG1 2.95Å; I266-T268 PolarHBondContact O-N 3.35Å; T268-H271 WeakPolarHBondContact O-CB 3.16Å; T268-H271 PolarHBondContact O-N 3.44Å; T268-E272 WeakPolarHBondContact O-CG 3.31Å; T268-E272 PolarHBondContact O-N 3.19Å |
| 269 | S | 93.5 | Very high | 89.9 | Confident | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 178.4 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | K145 N265 I266 A267 H271 E272 I273 | K145-S269 VanDerWaalsContact CD-OG 3.25Å; K145-S269 WeakPolarHBondContact CD-OG 3.45Å; K145-S269 PolarHBondContact NZ-OG 2.84Å; K145-S269 VanDerWaalsContact NZ-OG 3.11Å; N265-S269 VanDerWaalsContact O-CB 3.29Å; N265-S269 WeakPolarHBondContact O-CB 3.47Å; N265-S269 PolarHBondContact O-N 3.18Å; N265-S269 VanDerWaalsContact O-N 3.08Å; N265-S269 PolarHBondContact O-OG 3.25Å; I266-S269 PolarHBondContact O-N 3.48Å; I266-S269 VanDerWaalsContact O-N 3.16Å; A267-S269 VanDerWaalsContact C-N 3.35Å; S269-H271 VanDerWaalsContact C-N 3.33Å; S269-E272 PolarHBondContact O-N 3.32Å; S269-I273 WeakPolarHBondContact O-CG1 3.24Å; S269-I273 PolarHBondContact O-N 3Å; S269-I273 VanDerWaalsContact O-N 3.11Å |
| 270 | L | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 171.3 | -78.8 | 172.8 | 0 | 0 | 0 | 111.8 | L203 I224 I227 W230 F240 I266 A267 I273 C274 | L203-L270 HydrophobicContact CD1-CD2 4.13Å; L203-L270 HydrophobicContact CD1-CG 4.01Å; L203-L270 HydrophobicContact CD2-CD2 3.58Å; L203-L270 HydrophobicContact CD2-CG 4.15Å; I224-L270 HydrophobicContact CD1-CD2 3.77Å; I224-L270 HydrophobicContact CG1-CD2 3.85Å; I224-L270 HydrophobicContact CG2-CD2 4.15Å; I227-L270 HydrophobicContact CD1-CD2 4.49Å; W230-L270 HydrophobicContact CD2-CB 4.47Å; W230-L270 HydrophobicContact CD2-CD1 4.39Å; W230-L270 HydrophobicContact CG-CD1 4.3Å; W230-L270 HydrophobicContact CZ2-CB 4.34Å; F240-L270 HydrophobicContact CE1-CD1 4.4Å; F240-L270 HydrophobicContact CE2-CD1 3.92Å; F240-L270 HydrophobicContact CZ-CD1 3.4Å; F240-L270 VanDerWaalsContact CZ-CD1 3.4Å; I266-L270 HydrophobicContact CG2-CD1 4.22Å; I266-L270 PolarHBondContact O-N 2.96Å; A267-L270 PolarHBondContact O-N 3.47Å; L270-I273 PolarHBondContact O-N 3.44Å; L270-C274 VanDerWaalsContact O-CB 3.32Å; L270-C274 WeakPolarHBondContact O-CB 3.23Å; L270-C274 PolarHBondContact O-N 2.95Å; L270-C274 PolarHBondContact O-SG 3.12Å; L270-C274 VanDerWaalsContact O-SG 3.36Å |
| 271 | H | 88.6 | Confident | 88 | Confident | 113 Ų | 113 | 57 Ų | 57 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 176.5 | -174.1 | 76.7 | 0 | 0 | 0 | 112.1 | W230 A267 T268 S269 C274 S275 | W230-H271 HydrophobicContact CZ2-CB 4.3Å; A267-H271 WeakPolarHBondContact O-CB 3.31Å; A267-H271 PolarHBondContact O-N 3.31Å; T268-H271 WeakPolarHBondContact O-CB 3.16Å; T268-H271 PolarHBondContact O-N 3.44Å; S269-H271 VanDerWaalsContact C-N 3.33Å; H271-C274 PolarHBondContact O-N 2.86Å; H271-S275 VanDerWaalsContact O-CB 3.22Å; H271-S275 WeakPolarHBondContact O-CB 3.34Å; H271-S275 PolarHBondContact O-N 3.28Å |
| 272 | E | 88.9 | Confident | 86.9 | Confident | 99 Ų | 99 | 64 Ų | 64 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.2 | -74 | 169.3 | -164.8 | 0 | 0 | 111.9 | K145 T268 S269 S275 K276 | K145-E272 IonicContact NZ-OE2 3.83Å; K145-E272 PolarHBondContact NZ-OE2 2.96Å; T268-E272 WeakPolarHBondContact O-CG 3.31Å; T268-E272 PolarHBondContact O-N 3.19Å; S269-E272 PolarHBondContact O-N 3.32Å; E272-S275 PolarHBondContact O-N 3.03Å; E272-K276 WeakPolarHBondContact O-CB 3.41Å; E272-K276 PolarHBondContact O-N 2.79Å |
| 273 | I | 90.4 | Very high | 85.6 | Confident | 32 Ų | 32 | 66.1 Ų | 66.1 | 16% | 0.164 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 178 | -63.5 | 163.8 | 0 | 0 | 0 | 110.5 | L203 E206 I224 S269 L270 S275 K276 I277 | L203-I273 HydrophobicContact CB-CD1 3.73Å; L203-I273 HydrophobicContact CD1-CD1 4.08Å; L203-I273 HydrophobicContact CG-CD1 4.43Å; E206-I273 HydrophobicContact CG-CG2 4.47Å; I224-I273 HydrophobicContact CD1-CB 4.21Å; I224-I273 HydrophobicContact CD1-CD1 3.82Å; I224-I273 HydrophobicContact CD1-CG2 3.64Å; I224-I273 HydrophobicContact CG2-CG2 4.45Å; S269-I273 WeakPolarHBondContact O-CG1 3.24Å; S269-I273 PolarHBondContact O-N 3Å; S269-I273 VanDerWaalsContact O-N 3.11Å; L270-I273 PolarHBondContact O-N 3.44Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 3.44Å; I273-K276 WeakPolarHBondContact O-CB 3.42Å; I273-K276 PolarHBondContact O-N 2.77Å; I273-I277 HydrophobicContact CG2-CD1 3.75Å; I273-I277 HydrophobicContact CG2-CG1 4.4Å; I273-I277 WeakPolarHBondContact O-CD1 3.49Å; I273-I277 VanDerWaalsContact O-CG1 3.25Å; I273-I277 WeakPolarHBondContact O-CG1 3.26Å; I273-I277 PolarHBondContact O-N 2.91Å |
| 274 | C | 85.6 | Confident | 83.8 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 14% | 0.135 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 174.5 | -77.5 | 0 | 0 | 0 | 0 | 112.3 | I224 W230 L270 H271 I277 M278 | I224-C274 WeakPolarHBondContact CG2-SG 3.3Å; W230-C274 HydrophobicContact CH2-CB 4.1Å; W230-C274 VanDerWaalsContact CH2-SG 3.51Å; L270-C274 VanDerWaalsContact O-CB 3.32Å; L270-C274 WeakPolarHBondContact O-CB 3.23Å; L270-C274 PolarHBondContact O-N 2.95Å; L270-C274 PolarHBondContact O-SG 3.12Å; L270-C274 VanDerWaalsContact O-SG 3.36Å; H271-C274 PolarHBondContact O-N 2.86Å; C274-I277 PolarHBondContact O-N 3Å; C274-M278 HydrophobicContact CB-CE 4.45Å; C274-M278 WeakPolarHBondContact O-CB 2.9Å; C274-M278 WeakPolarHBondContact O-CE 3.43Å; C274-M278 VanDerWaalsContact O-CG 3.25Å; C274-M278 WeakPolarHBondContact O-CG 3.43Å; C274-M278 PolarHBondContact O-N 3.19Å |
| 275 | S | 86.4 | Confident | 81.9 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.4 | -173 | 0 | 0 | 0 | 0 | 111.2 | H271 E272 I273 M278 S279 | H271-S275 VanDerWaalsContact O-CB 3.22Å; H271-S275 WeakPolarHBondContact O-CB 3.34Å; H271-S275 PolarHBondContact O-N 3.28Å; E272-S275 PolarHBondContact O-N 3.03Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 3.44Å; S275-M278 PolarHBondContact O-N 3.06Å; S275-S279 WeakPolarHBondContact O-CB 3.27Å; S275-S279 PolarHBondContact O-N 3.09Å; S275-S279 PolarHBondContact O-OG 2.97Å |
| 276 | K | 86.8 | Confident | 79.6 | Confident | 120 Ų | 120 | 71 Ų | 71 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.8 | -52.7 | 173.5 | -176.6 | -179.8 | 171.9 | -174 | 0 | 110.9 | E272 I273 M278 S279 E280 | E272-K276 WeakPolarHBondContact O-CB 3.41Å; E272-K276 PolarHBondContact O-N 2.79Å; I273-K276 WeakPolarHBondContact O-CB 3.42Å; I273-K276 PolarHBondContact O-N 2.77Å; K276-M278 VanDerWaalsContact C-N 3.3Å; K276-M278 PolarHBondContact O-N 3.35Å; K276-S279 PolarHBondContact O-N 2.9Å; K276-S279 PolarHBondContact O-OG 3.11Å; K276-E280 WeakPolarHBondContact CE-OE1 3.45Å; K276-E280 HydrophobicContact CG-CG 4.41Å; K276-E280 IonicContact NZ-OE1 2.68Å; K276-E280 WeakPolarHBondContact O-CG 3.39Å; K276-E280 PolarHBondContact O-N 3.38Å |
| 277 | I | 84.7 | Confident | 77.3 | Confident | 9 Ų | 9 | 77.8 Ų | 77.8 | 5% | 0.046 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -54.5 | -46.3 | 175.9 | -68.2 | 161.5 | 0 | 0 | 0 | 111 | E206 I224 V225 I273 C274 R281 | E206-I277 HydrophobicContact CB-CD1 4.04Å; E206-I277 VanDerWaalsContact CD-CG1 3.44Å; E206-I277 HydrophobicContact CG-CD1 4Å; E206-I277 HydrophobicContact CG-CG1 4.04Å; E206-I277 VanDerWaalsContact OE1-CG1 3.26Å; E206-I277 WeakPolarHBondContact OE1-CG1 3.33Å; I224-I277 HydrophobicContact CG2-CD1 4.39Å; V225-I277 HydrophobicContact CG1-CD1 3.96Å; V225-I277 HydrophobicContact CG1-CG2 4.03Å; I273-I277 HydrophobicContact CG2-CD1 3.75Å; I273-I277 HydrophobicContact CG2-CG1 4.4Å; I273-I277 WeakPolarHBondContact O-CD1 3.49Å; I273-I277 VanDerWaalsContact O-CG1 3.25Å; I273-I277 WeakPolarHBondContact O-CG1 3.26Å; I273-I277 PolarHBondContact O-N 2.91Å; C274-I277 PolarHBondContact O-N 3Å; I277-R281 HydrophobicContact CG2-CG 4.46Å; I277-R281 VanDerWaalsContact O-CB 3.3Å; I277-R281 WeakPolarHBondContact O-CB 3.45Å; I277-R281 WeakPolarHBondContact O-CG 3.46Å; I277-R281 PolarHBondContact O-N 3.49Å |
| 278 | M | 81.5 | Confident | 75 | Confident | 110 Ų | 110 | 82.6 Ų | 82.6 | 54% | 0.542 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 178.7 | -76.1 | -172.2 | -70.7 | 0 | 0 | 112.3 | C274 S275 K276 R282 | C274-M278 HydrophobicContact CB-CE 4.45Å; C274-M278 WeakPolarHBondContact O-CB 2.9Å; C274-M278 WeakPolarHBondContact O-CE 3.43Å; C274-M278 VanDerWaalsContact O-CG 3.25Å; C274-M278 WeakPolarHBondContact O-CG 3.43Å; C274-M278 PolarHBondContact O-N 3.19Å; S275-M278 PolarHBondContact O-N 3.06Å; K276-M278 VanDerWaalsContact C-N 3.3Å; K276-M278 PolarHBondContact O-N 3.35Å; M278-R282 WeakPolarHBondContact O-CB 2.95Å; M278-R282 PolarHBondContact O-N 3.45Å |
| 279 | S | 77.4 | Confident | 72.6 | Confident | 51 Ų | 51 | 85.8 Ų | 85.8 | 36% | 0.357 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 178.7 | 77.7 | 0 | 0 | 0 | 0 | 112 | S275 K276 R282 N283 | S275-S279 WeakPolarHBondContact O-CB 3.27Å; S275-S279 PolarHBondContact O-N 3.09Å; S275-S279 PolarHBondContact O-OG 2.97Å; K276-S279 PolarHBondContact O-N 2.9Å; K276-S279 PolarHBondContact O-OG 3.11Å; S279-R282 CarbonylContact O-C 3.48Å; S279-R282 WeakPolarHBondContact O-CB 3.39Å; S279-R282 PolarHBondContact O-N 3Å; S279-R282 VanDerWaalsContact O-N 3.13Å; S279-N283 WeakPolarHBondContact O-CB 3.2Å; S279-N283 VanDerWaalsContact O-CG 3.25Å; S279-N283 PolarHBondContact O-N 3.02Å |
| 280 | E | 77.2 | Confident | 69.8 | Low | 87 Ų | 87 | 88 Ų | 88 | 41% | 0.407 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 176.3 | -71.8 | 176.6 | 175.9 | 0 | 0 | 110.7 | K276 R282 N283 A284 | K276-E280 WeakPolarHBondContact CE-OE1 3.45Å; K276-E280 HydrophobicContact CG-CG 4.41Å; K276-E280 IonicContact NZ-OE1 2.68Å; K276-E280 WeakPolarHBondContact O-CG 3.39Å; K276-E280 PolarHBondContact O-N 3.38Å; E280-R282 VanDerWaalsContact C-N 3.27Å; E280-R282 PolarHBondContact O-N 3.5Å; E280-N283 PolarHBondContact O-N 3.18Å; E280-A284 VanDerWaalsContact O-CB 3.26Å; E280-A284 WeakPolarHBondContact O-CB 3.29Å; E280-A284 PolarHBondContact O-N 3.19Å |
| 281 | R | 70.9 | Confident | 67.2 | Low | 103 Ų | 103 | 95.3 Ų | 95.3 | 39% | 0.389 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.5 | -34.1 | 170.9 | -73.1 | 174.8 | -179.2 | -170.2 | 1.2 | 112.6 | V225 I277 R285 | V225-R281 VanDerWaalsContact CG1-NH2 3.29Å; I277-R281 HydrophobicContact CG2-CG 4.46Å; I277-R281 VanDerWaalsContact O-CB 3.3Å; I277-R281 WeakPolarHBondContact O-CB 3.45Å; I277-R281 WeakPolarHBondContact O-CG 3.46Å; I277-R281 PolarHBondContact O-N 3.49Å; R281-R285 WeakPolarHBondContact O-CB 3.42Å; R281-R285 VanDerWaalsContact O-CG 3.27Å; R281-R285 WeakPolarHBondContact O-CG 3.38Å; R281-R285 PolarHBondContact O-N 3.46Å; R281-R285 PolarHBondContact O-NE 3.39Å |
| 282 | R | 70.9 | Confident | 65.2 | Low | 187 Ų | 187 | 95.5 Ų | 95.5 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.3 | -41.9 | 175.7 | -177.2 | 178.5 | -177.9 | 160.8 | 0.4 | 111.2 | M278 S279 E280 R285 C286 | M278-R282 WeakPolarHBondContact O-CB 2.95Å; M278-R282 PolarHBondContact O-N 3.45Å; S279-R282 CarbonylContact O-C 3.48Å; S279-R282 WeakPolarHBondContact O-CB 3.39Å; S279-R282 PolarHBondContact O-N 3Å; S279-R282 VanDerWaalsContact O-N 3.13Å; E280-R282 VanDerWaalsContact C-N 3.27Å; E280-R282 PolarHBondContact O-N 3.5Å; R282-R285 PolarHBondContact O-N 3.41Å; R282-C286 PolarHBondContact O-N 3.45Å |
| 283 | N | 64.6 | Low | 62.7 | Low | 104 Ų | 104 | 98 Ų | 98 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.6 | -41 | 179.7 | -69.9 | -10 | 0 | 0 | 0 | 111.7 | S279 E280 R285 C286 L287 | S279-N283 WeakPolarHBondContact O-CB 3.2Å; S279-N283 VanDerWaalsContact O-CG 3.25Å; S279-N283 PolarHBondContact O-N 3.02Å; E280-N283 PolarHBondContact O-N 3.18Å; N283-R285 VanDerWaalsContact C-N 3.31Å; N283-R285 PolarHBondContact O-N 3.25Å; N283-C286 WeakPolarHBondContact O-CA 3.12Å; N283-C286 WeakPolarHBondContact O-CB 3.13Å; N283-C286 PolarHBondContact O-N 2.93Å; N283-L287 PolarHBondContact O-N 3.15Å |
| 284 | A | 57 | Low | 60 | Low | 58 Ų | 58 | 103.4 Ų | 103.4 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.8 | -41.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E280 C286 L287 V288 | E280-A284 VanDerWaalsContact O-CB 3.26Å; E280-A284 WeakPolarHBondContact O-CB 3.29Å; E280-A284 PolarHBondContact O-N 3.19Å; A284-C286 VanDerWaalsContact C-N 3.31Å; A284-C286 PolarHBondContact O-N 2.9Å; A284-L287 PolarHBondContact O-N 3.41Å; A284-V288 VanDerWaalsContact O-CG2 3.28Å; A284-V288 WeakPolarHBondContact O-CG2 3.33Å; A284-V288 PolarHBondContact O-N 3.47Å; A284-V288 VanDerWaalsContact O-N 3.11Å |
| 285 | R | 52.4 | Low | 57.8 | Low | 154 Ų | 154 | 111.8 Ų | 111.8 | 58% | 0.581 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.4 | -31.6 | 172.1 | -79.5 | 179.5 | -99.3 | 153.2 | -11.7 | 113.4 | R281 R282 N283 N289 | R281-R285 WeakPolarHBondContact O-CB 3.42Å; R281-R285 VanDerWaalsContact O-CG 3.27Å; R281-R285 WeakPolarHBondContact O-CG 3.38Å; R281-R285 PolarHBondContact O-N 3.46Å; R281-R285 PolarHBondContact O-NE 3.39Å; R282-R285 PolarHBondContact O-N 3.41Å; N283-R285 VanDerWaalsContact C-N 3.31Å; N283-R285 PolarHBondContact O-N 3.25Å; R285-N289 WeakPolarHBondContact O-CB 3.38Å; R285-N289 PolarHBondContact O-N 3.43Å; R285-N289 VanDerWaalsContact O-N 3.17Å |
| 286 | C | 44.5 | Very low | 55.6 | Low | 88 Ų | 88 | 113.2 Ų | 113.2 | 60% | 0.595 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.9 | -36.9 | 176.6 | -147.9 | 0 | 0 | 0 | 0 | 111.8 | R282 N283 A284 V288 N289 G290 | R282-C286 PolarHBondContact O-N 3.45Å; N283-C286 WeakPolarHBondContact O-CA 3.12Å; N283-C286 WeakPolarHBondContact O-CB 3.13Å; N283-C286 PolarHBondContact O-N 2.93Å; A284-C286 VanDerWaalsContact C-N 3.31Å; A284-C286 PolarHBondContact O-N 2.9Å; C286-V288 VanDerWaalsContact C-N 3.31Å; C286-V288 PolarHBondContact O-N 2.88Å; C286-N289 CarbonylContact O-C 3.52Å; C286-N289 PolarHBondContact O-N 2.88Å; C286-G290 PolarHBondContact O-N 2.8Å |
| 287 | L | 45.7 | Very low | 53.2 | Low | 144 Ų | 144 | 117 Ų | 117 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.4 | -35.7 | 175 | -150.2 | 79.5 | 0 | 0 | 0 | 111.5 | N283 A284 | N283-L287 PolarHBondContact O-N 3.15Å; A284-L287 PolarHBondContact O-N 3.41Å |
| 288 | V | 44.4 | Very low | 50.9 | Low | 116 Ų | 116 | 124.5 Ų | 124.5 | 70% | 0.703 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.1 | -29.9 | 174.7 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | A284 C286 | A284-V288 VanDerWaalsContact O-CG2 3.28Å; A284-V288 WeakPolarHBondContact O-CG2 3.33Å; A284-V288 PolarHBondContact O-N 3.47Å; A284-V288 VanDerWaalsContact O-N 3.11Å; C286-V288 VanDerWaalsContact C-N 3.31Å; C286-V288 PolarHBondContact O-N 2.88Å |
| 289 | N | 40.5 | Very low | 48.6 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -91.6 | -3.6 | 177.3 | -73.2 | -7.4 | 0 | 0 | 0 | 114.1 | R285 C286 | R285-N289 WeakPolarHBondContact O-CB 3.38Å; R285-N289 PolarHBondContact O-N 3.43Å; R285-N289 VanDerWaalsContact O-N 3.17Å; C286-N289 CarbonylContact O-C 3.52Å; C286-N289 PolarHBondContact O-N 2.88Å |
| 290 | G | 35.2 | Very low | 47 | Very low | 55 Ų | 55 | 129.3 Ų | 129.3 | 57% | 0.567 | 69% | 0.687 | S | S | * | * | trans | -95.5 | -1.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.7 | C286 S292 | C286-G290 PolarHBondContact O-N 2.8Å; G290-S292 VanDerWaalsContact C-N 3.32Å; G290-S292 PolarHBondContact O-N 3.24Å; G290-S292 VanDerWaalsContact O-N 3.14Å | ||
| 291 | L | 36.8 | Very low | 44.9 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 81% | 0.806 | 70% | 0.702 | S | S | * | * | trans | -88.3 | 74.2 | 173.6 | -64 | 179.7 | 0 | 0 | 0 | 110.4 | ||||
| 292 | S | 46.7 | Very low | 43.6 | Very low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | -82.7 | 93.7 | 142.8 | -178.3 | 0 | 0 | 0 | 0 | 106.2 | G290 | G290-S292 VanDerWaalsContact C-N 3.32Å; G290-S292 PolarHBondContact O-N 3.24Å; G290-S292 VanDerWaalsContact O-N 3.14Å | ||
| 293 | L | 37.1 | Very low | 41.6 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | trans | -154.4 | 112.2 | 162.2 | -151.5 | 70.3 | 0 | 0 | 0 | 111.8 | ||||
| 294 | D | 34.7 | Very low | 40.5 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | 25.6 | 111 | 142.1 | -125.8 | -13.7 | 0 | 0 | 0 | 118 | S296 | D294-S296 VanDerWaalsContact C-N 3.33Å; D294-S296 PolarHBondContact O-N 3.48Å | ||
| 295 | H | 37.6 | Very low | 39.4 | Very low | 197 Ų | 197 | 136.9 Ų | 136.9 | 91% | 0.912 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -73.1 | 83.7 | 168.6 | -89.8 | -69.5 | 0 | 0 | 0 | 110.3 | ||
| 296 | S | 40.2 | Very low | 38.6 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | trans | -172.7 | 119.8 | 144.7 | 42.9 | 0 | 0 | 0 | 0 | 112 | D294 | D294-S296 VanDerWaalsContact C-N 3.33Å; D294-S296 PolarHBondContact O-N 3.48Å | ||
| 297 | K | 37.6 | Very low | 37.9 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | trans | 79.4 | 99.5 | 167.4 | -47.6 | 171.4 | -175 | -179.7 | 0 | 115.1 | ||||
| 298 | L | 35.6 | Very low | 37.3 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | -176.6 | 126.4 | 104 | -154.2 | 68.7 | 0 | 0 | 0 | 111.6 | |||||
| 299 | V | 34.3 | Very low | 36.8 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | -1.2 | 121 | 154.5 | -170.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 300 | D | 42 | Very low | 36.5 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | 29.6 | 113.7 | 134.8 | -147.1 | 13.1 | 0 | 0 | 0 | 120.6 | ||||
| 301 | V | 33.9 | Very low | 36.7 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | trans | -141.3 | 122.9 | 148.6 | -176 | 0 | 0 | 0 | 0 | 108.6 | F303 | V301-F303 HydrophobicContact CG1-CD2 4.21Š| ||
| 302 | P | 43.2 | Very low | 37 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | trans | -88.7 | 116.4 | 179.2 | 33.4 | -28.7 | 0 | 0 | 0 | 109.9 | ||||
| 303 | F | 29.3 | Very low | 37.3 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | trans | -135.2 | 82 | 161.7 | -100.4 | -87.8 | 0 | 0 | 0 | 109.7 | V301 V305 | V301-F303 HydrophobicContact CG1-CD2 4.21Å; F303-V305 HydrophobicContact CD1-CG2 4.13Å; F303-V305 PolarHBondContact O-N 3.49Å | ||
| 304 | Q | 41.6 | Very low | 38.3 | Very low | 199 Ų | 199 | 139.8 Ų | 139.8 | 93% | 0.93 | 73% | 0.732 | S | S | * | * | trans | -74.2 | 95.1 | 154 | -78.8 | 179.3 | -27.3 | 0 | 0 | 107.8 | ||||
| 305 | V | 34.3 | Very low | 40.3 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 55% | 0.552 | 71% | 0.713 | S | S | * | * | trans | -132.1 | 89.4 | 150.9 | -170 | 0 | 0 | 0 | 0 | 106.3 | F303 F307 | F303-V305 HydrophobicContact CD1-CG2 4.13Å; F303-V305 PolarHBondContact O-N 3.49Å; V305-F307 HydrophobicContact CB-CD2 4.41Å; V305-F307 HydrophobicContact CG1-CD2 3.66Å; V305-F307 HydrophobicContact CG1-CE2 3.64Å; V305-F307 PolarHBondContact O-N 3.4Å | ||
| 306 | E | 36 | Very low | 42.8 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | trans | -68.4 | 96.1 | 171.6 | -167.2 | 170.2 | -168.5 | 0 | 0 | 107.9 | ||||
| 307 | F | 29.4 | Very low | 45.3 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | trans | -74.7 | 125.6 | 176.3 | -103.7 | -92 | 0 | 0 | 0 | 109.5 | V305 A309 | V305-F307 HydrophobicContact CB-CD2 4.41Å; V305-F307 HydrophobicContact CG1-CD2 3.66Å; V305-F307 HydrophobicContact CG1-CE2 3.64Å; V305-F307 PolarHBondContact O-N 3.4Å; F307-A309 PolarHBondContact O-N 3.5Å; F307-A309 VanDerWaalsContact O-N 3.1Å | ||
| 308 | P | 32.4 | Very low | 48 | Very low | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | trans | -67.4 | 114.8 | -176.4 | 14.5 | -12.5 | 0 | 0 | 0 | 109.7 | ||||
| 309 | A | 34.4 | Very low | 50.9 | Low | 75 Ų | 75 | 123.3 Ų | 123.3 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | trans | -53 | 147.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F307 K311 | F307-A309 PolarHBondContact O-N 3.5Å; F307-A309 VanDerWaalsContact O-N 3.1Å; A309-K311 PolarHBondContact O-N 2.62Å | ||
| 310 | P | 33.6 | Very low | 53.8 | Low | 81 Ų | 81 | 117.7 Ų | 117.7 | 53% | 0.526 | 61% | 0.608 | S | S | . | * | trans | -55.8 | 107.2 | 176.6 | -19.5 | 30.2 | 0 | 0 | 0 | 110.1 | N312 | P310-N312 PolarHBondContact O-N 3.1Š| ||
| 311 | K | 40.5 | Very low | 56.4 | Low | 203 Ų | 203 | 115.2 Ų | 115.2 | 88% | 0.883 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -75 | 61.5 | 178 | -68.8 | -179.1 | 178.5 | 176.8 | 0 | 111.1 | A309 | A309-K311 PolarHBondContact O-N 2.62Š|
| 312 | N | 42.3 | Very low | 59.4 | Low | 90 Ų | 90 | 110.4 Ų | 110.4 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | trans | -140.1 | 28.9 | 164.3 | -157.6 | 24.1 | 0 | 0 | 0 | 112.1 | P310 | P310-N312 PolarHBondContact O-N 3.1Š| ||
| 313 | E | 52.9 | Low | 61.9 | Low | 119 Ų | 119 | 106.2 Ų | 106.2 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -83.9 | 135.1 | 146.3 | -70.2 | -174.1 | 170.5 | 0 | 0 | 105.7 | V315 | E313-V315 HydrophobicContact CB-CG2 3.75Å; E313-V315 WeakPolarHBondContact O-CG2 3.25Å; E313-V315 PolarHBondContact O-N 2.83Å |
| 314 | L | 59.2 | Low | 64.9 | Low | 153 Ų | 153 | 98.5 Ų | 98.5 | 80% | 0.801 | 50% | 0.501 | S | S | * | . | trans | -65.4 | 74.7 | 171.2 | -74.5 | 158.2 | 0 | 0 | 0 | 107.9 | Q316 | L314-Q316 PolarHBondContact O-N 2.64Š| ||
| 315 | V | 77 | Confident | 67.4 | Low | 63 Ų | 63 | 93.1 Ų | 93.1 | 38% | 0.382 | 48% | 0.478 | S | S | . | . | trans | -85.7 | 106.1 | 179.8 | 179.7 | 0 | 0 | 0 | 0 | 106.7 | E313 S359 V360 A361 | E313-V315 HydrophobicContact CB-CG2 3.75Å; E313-V315 WeakPolarHBondContact O-CG2 3.25Å; E313-V315 PolarHBondContact O-N 2.83Å; V315-S359 WeakPolarHBondContact CG1-OG 3.24Å; V315-V360 WeakPolarHBondContact CA-O 3.42Å; V315-A361 HydrophobicContact CG2-CB 4.07Å | ||
| 316 | Q | 88.4 | Confident | 70.3 | Confident | 98 Ų | 98 | 90.7 Ų | 90.7 | 46% | 0.458 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 128.7 | 175.7 | -63.1 | -178.1 | 63.8 | 0 | 0 | 108.6 | L314 F318 S359 V360 | L314-Q316 PolarHBondContact O-N 2.64Å; Q316-F318 HydrophobicContact CB-CD2 4.41Å; Q316-F318 HydrophobicContact CB-CE2 3.44Å; Q316-F318 VanDerWaalsContact CB-CE2 3.44Å; Q316-F318 HydrophobicContact CB-CZ 3.67Å; Q316-F318 HydrophobicContact CG-CZ 4.5Å; Q316-S359 CarbonylContact O-C 3.57Å; Q316-S359 WeakPolarHBondContact O-CA 3.48Å; Q316-V360 PolarHBondContact N-O 3.33Å; Q316-V360 VanDerWaalsContact N-O 3.15Å; Q316-V360 PolarHBondContact O-N 3.44Å |
| 317 | K | 92.7 | Very high | 73.1 | Confident | 120 Ų | 120 | 87.3 Ų | 87.3 | 52% | 0.522 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126 | 176.2 | -74.2 | -169.9 | 175.1 | -169.3 | 0 | 109.5 | V358 E373 | K317-V358 CarbonylContact C-O 3.59Å; K317-V358 WeakPolarHBondContact CA-O 3.39Å; K317-E373 IonicContact NZ-OE1 2.81Å |
| 318 | F | 94.8 | Very high | 76.2 | Confident | 34 Ų | 34 | 80.1 Ų | 80.1 | 15% | 0.149 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.6 | 179.7 | -59.6 | -86.3 | 0 | 0 | 0 | 110.5 | Q316 H357 V358 V360 L421 A424 | Q316-F318 HydrophobicContact CB-CD2 4.41Å; Q316-F318 HydrophobicContact CB-CE2 3.44Å; Q316-F318 VanDerWaalsContact CB-CE2 3.44Å; Q316-F318 HydrophobicContact CB-CZ 3.67Å; Q316-F318 HydrophobicContact CG-CZ 4.5Å; F318-H357 CarbonylContact O-C 3.58Å; F318-H357 VanDerWaalsContact O-CA 3.23Å; F318-H357 WeakPolarHBondContact O-CA 3.48Å; F318-V358 PolarHBondContact N-O 3.45Å; F318-V358 PolarHBondContact O-N 3.49Å; F318-V360 HydrophobicContact CD2-CG2 3.84Å; F318-V360 HydrophobicContact CE2-CB 4.22Å; F318-V360 HydrophobicContact CE2-CG2 3.69Å; F318-L421 HydrophobicContact CB-CD1 4.13Å; F318-L421 HydrophobicContact CD1-CB 4.45Å; F318-L421 HydrophobicContact CD2-CD1 3.63Å; F318-L421 HydrophobicContact CE2-CD1 4.26Å; F318-L421 HydrophobicContact CG-CB 4.31Å; F318-L421 HydrophobicContact CG-CD1 3.93Å; F318-A424 HydrophobicContact CE1-CB 4.43Å; F318-A424 HydrophobicContact CE2-CB 3.48Å; F318-A424 VanDerWaalsContact CE2-CB 3.48Å; F318-A424 HydrophobicContact CZ-CB 3.35Å |
| 319 | Q | 95.9 | Very high | 78.9 | Confident | 131 Ų | 131 | 79.7 Ų | 79.7 | 61% | 0.612 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124.9 | 172.2 | -77 | 179.4 | -9.3 | 0 | 0 | 110 | H357 | Q319-H357 WeakPolarHBondContact CG-CD2 3.37Å; Q319-H357 WeakPolarHBondContact CG-NE2 3.34Å |
| 320 | V | 96.4 | Very high | 81.6 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 169.4 | -178.8 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | S356 V358 F412 W413 C414 L421 | V320-S356 PolarHBondContact N-O 3.01Å; V320-S356 CarbonylContact O-C 3.54Å; V320-S356 WeakPolarHBondContact O-CA 3.47Å; V320-S356 PolarHBondContact O-N 3.26Å; V320-V358 HydrophobicContact CG2-CG2 3.62Å; V320-F412 HydrophobicContact CG2-CD1 3.91Å; V320-W413 CarbonylContact C-O 3.54Å; V320-W413 WeakPolarHBondContact CA-O 3.23Å; V320-W413 WeakPolarHBondContact CB-O 3.22Å; V320-C414 HydrophobicContact CG1-CB 4.28Å; V320-L421 HydrophobicContact CG1-CD2 3.85Å |
| 321 | Y | 96.6 | Very high | 84.2 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 34% | 0.341 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.9 | 162.4 | -61.7 | -97.5 | 0 | 0 | 0 | 109 | W353 P355 F412 W413 | Y321-W353 HydrophobicContact CD1-CB 4.27Å; Y321-W353 HydrophobicContact CG-CB 4.46Å; Y321-W353 HydrophobicContact CG-CE3 4.5Å; Y321-P355 HydrophobicContact CD1-CB 4.26Å; Y321-P355 HydrophobicContact CD1-CG 4.2Å; Y321-P355 HydrophobicContact CE1-CB 4.12Å; Y321-P355 HydrophobicContact CE1-CG 4Å; Y321-F412 WeakPolarHBondContact O-CA 3.46Å; Y321-W413 PolarHBondContact N-O 2.97Å; Y321-W413 PolarHBondContact O-N 2.93Å |
| 322 | Y | 96.4 | Very high | 86.5 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 7% | 0.071 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 119.8 | 175.1 | -174.7 | -130.1 | 0 | 0 | 0 | 109.4 | G324 N325 T354 S356 I367 L376 H410 M411 F412 | Y322-G324 WeakPolarHBondContact CE2-O 3.38Å; Y322-G324 VanDerWaalsContact CZ-CA 3.45Å; Y322-G324 VanDerWaalsContact CZ-O 3.32Å; Y322-G324 PolarHBondContact OH-O 2.7Å; Y322-N325 WeakPolarHBondContact OH-CB 3.03Å; Y322-N325 PolarHBondContact OH-N 2.85Å; Y322-N325 PolarHBondContact OH-ND2 3.1Å; Y322-T354 PolarHBondContact N-O 2.94Å; Y322-T354 PolarHBondContact O-N 2.86Å; Y322-T354 VanDerWaalsContact O-N 3.1Å; Y322-S356 VanDerWaalsContact CB-OG 3.31Å; Y322-S356 WeakPolarHBondContact CB-OG 3.25Å; Y322-I367 HydrophobicContact CD1-CG2 4.28Å; Y322-I367 HydrophobicContact CD2-CD1 4.29Å; Y322-I367 HydrophobicContact CD2-CG2 4.14Å; Y322-I367 HydrophobicContact CE2-CD1 3.79Å; Y322-I367 HydrophobicContact CG-CG2 3.99Å; Y322-L376 HydrophobicContact CD1-CB 4.46Å; Y322-L376 HydrophobicContact CD1-CD1 4.2Å; Y322-H410 HydrophobicContact CE2-CB 4.43Å; Y322-H410 AromaticContact CZ-ND1 3.92Å; Y322-H410 PolarHBondContact OH-ND1 3.32Å; Y322-M411 WeakPolarHBondContact CD2-O 3.26Å; Y322-F412 AromaticContact CD2-CD1 3.74Å; Y322-F412 HydrophobicContact CD2-CD1 3.74Å; Y322-F412 AromaticContact CD2-CE1 3.42Å; Y322-F412 HydrophobicContact CD2-CE1 3.42Å; Y322-F412 VanDerWaalsContact CD2-CE1 3.42Å; Y322-F412 HydrophobicContact CD2-CZ 4.08Å; Y322-F412 HydrophobicContact CE2-CD1 4.48Å; Y322-F412 AromaticContact CE2-CE1 3.86Å; Y322-F412 HydrophobicContact CE2-CE1 3.86Å; Y322-F412 HydrophobicContact CE2-CZ 4.05Å; Y322-F412 HydrophobicContact CG-CE1 4.43Å |
| 323 | L | 95.3 | Very high | 88.6 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -13.5 | -179.3 | -65.1 | 161.8 | 0 | 0 | 0 | 111.6 | L341 V344 L345 W353 M411 F412 W413 | L323-L341 HydrophobicContact CD1-CD2 4Å; L323-V344 HydrophobicContact CB-CG1 4.02Å; L323-V344 HydrophobicContact CD2-CG1 4.32Å; L323-L345 HydrophobicContact CD2-CD2 4.17Å; L323-W353 HydrophobicContact CD2-CD2 3.44Å; L323-W353 VanDerWaalsContact CD2-CD2 3.44Å; L323-W353 HydrophobicContact CD2-CE3 4.04Å; L323-W353 HydrophobicContact CD2-CG 3.68Å; L323-W353 HydrophobicContact CD2-CH2 4.4Å; L323-W353 HydrophobicContact CD2-CZ2 3.87Å; L323-W353 HydrophobicContact CD2-CZ3 4.47Å; L323-M411 HydrophobicContact CB-CB 3.87Å; L323-M411 WeakPolarHBondContact CB-O 3.35Å; L323-M411 HydrophobicContact CD1-CB 3.99Å; L323-M411 PolarHBondContact N-O 2.9Å; L323-F412 VanDerWaalsContact CD1-C 3.49Å; L323-W413 HydrophobicContact CD1-CB 4.38Å |
| 324 | G | 93.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 65 Ų | 65 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 109.5 | -163.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y322 M411 | Y322-G324 WeakPolarHBondContact CE2-O 3.38Å; Y322-G324 VanDerWaalsContact CZ-CA 3.45Å; Y322-G324 VanDerWaalsContact CZ-O 3.32Å; Y322-G324 PolarHBondContact OH-O 2.7Å; G324-M411 PolarHBondContact O-N 3.25Å; G324-M411 VanDerWaalsContact O-N 3.09Å |
| 325 | N | 94.2 | Very high | 92 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149.1 | 175.9 | 64.9 | 89.6 | 0 | 0 | 0 | 111.3 | Y322 C408 C409 | Y322-N325 WeakPolarHBondContact OH-CB 3.03Å; Y322-N325 PolarHBondContact OH-N 2.85Å; Y322-N325 PolarHBondContact OH-ND2 3.1Å; N325-C408 VanDerWaalsContact CB-SG 3.58Å; N325-C408 PolarHBondContact OD1-SG 2.94Å; N325-C409 CarbonylContact C-O 3.46Å; N325-C409 WeakPolarHBondContact CA-O 3.4Å; N325-C409 WeakPolarHBondContact CB-O 3.38Å |
| 326 | V | 94.4 | Very high | 92.7 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.2 | 179.3 | -64.3 | 0 | 0 | 0 | 0 | 111 | V328 A340 V344 C408 C409 M411 | V326-V328 HydrophobicContact CG2-CG1 4.36Å; V326-A340 HydrophobicContact CG2-CB 3.61Å; V326-V344 HydrophobicContact CG1-CG2 4.38Å; V326-C408 WeakPolarHBondContact O-CA 3.41Å; V326-C409 HydrophobicContact CG2-CB 4.17Å; V326-C409 PolarHBondContact N-O 3.2Å; V326-C409 PolarHBondContact O-N 3.45Å; V326-M411 HydrophobicContact CB-CE 4.33Å; V326-M411 HydrophobicContact CG1-CE 3.91Å; V326-M411 HydrophobicContact CG2-CE 3.72Å; V326-M411 HydrophobicContact CG2-SD 4.41Å |
| 327 | P | 94.5 | Very high | 93 | Very high | 114 Ų | 114 | 56.4 Ų | 56.4 | 74% | 0.74 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 140.2 | 172.7 | 28.6 | -33.9 | 0 | 0 | 0 | 110.4 | F407 | P327-F407 CarbonylContact C-O 3.44Å; P327-F407 WeakPolarHBondContact CA-O 3.3Å |
| 328 | V | 95.2 | Very high | 93.1 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 13% | 0.127 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 147.2 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | V326 V336 I399 F407 C409 | V326-V328 HydrophobicContact CG2-CG1 4.36Å; V328-V336 HydrophobicContact CB-CG1 3.68Å; V328-V336 HydrophobicContact CG1-CG1 3.84Å; V328-V336 HydrophobicContact CG2-CG1 4.21Å; V328-I399 HydrophobicContact CG2-CD1 4.18Å; V328-I399 HydrophobicContact CG2-CG1 4.29Å; V328-I399 HydrophobicContact CG2-CG2 3.72Å; V328-F407 HydrophobicContact CG2-CB 3.63Å; V328-F407 PolarHBondContact N-O 3.38Å; V328-C409 HydrophobicContact CG1-CB 3.6Å; V328-C409 HydrophobicContact CG2-CB 4.36Å |
| 329 | A | 89.6 | Confident | 93.1 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 80% | 0.802 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -78.3 | -21.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 330 | K | 90.5 | Very high | 93 | Very high | 117 Ų | 117 | 45.8 Ų | 45.8 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | trans | -125.2 | 146.2 | -175.6 | -64.4 | 179.7 | -175.6 | 173 | 0 | 110.8 | V332 V336 | K330-V332 VanDerWaalsContact C-N 3.3Å; K330-V332 PolarHBondContact O-N 3.42Å; K330-V336 HydrophobicContact CB-CG2 4.11Å; K330-V336 HydrophobicContact CD-CG2 4.21Å | ||
| 331 | P | 87.3 | Confident | 92.9 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 24% | 0.24 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -74 | -19.9 | 178.3 | 27.2 | -32.4 | 0 | 0 | 0 | 113.7 | S385 F386 F407 | P331-S385 VanDerWaalsContact O-CB 3.29Å; P331-S385 WeakPolarHBondContact O-CB 3.44Å; P331-S385 PolarHBondContact O-OG 3.25Å; P331-F386 VanDerWaalsContact O-CB 3.3Å; P331-F386 WeakPolarHBondContact O-CB 3.38Å; P331-F407 HydrophobicContact CB-CD1 3.85Å; P331-F407 HydrophobicContact CB-CE1 3.56Å; P331-F407 HydrophobicContact CB-CE2 4.24Å; P331-F407 HydrophobicContact CB-CG 4.33Å; P331-F407 HydrophobicContact CB-CZ 3.76Å; P331-F407 HydrophobicContact CG-CE1 4.3Å; P331-F407 HydrophobicContact CG-CE2 4.33Å; P331-F407 HydrophobicContact CG-CZ 4Å |
| 332 | V | 90.1 | Very high | 92.8 | Very high | 62 Ų | 62 | 45.8 Ų | 45.8 | 38% | 0.376 | 28% | 0.282 | S | S | . | . | trans | -141.3 | 153.4 | -173.8 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | K330 F386 | K330-V332 VanDerWaalsContact C-N 3.3Å; K330-V332 PolarHBondContact O-N 3.42Å; V332-F386 HydrophobicContact CB-CB 4.32Å; V332-F386 HydrophobicContact CB-CD2 4Å; V332-F386 HydrophobicContact CB-CG 4.17Å; V332-F386 HydrophobicContact CG1-CB 4.1Å; V332-F386 HydrophobicContact CG1-CD2 4.09Å; V332-F386 HydrophobicContact CG1-CG 4.35Å | ||
| 333 | G | 86.9 | Confident | 92.5 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 16% | 0.155 | 30% | 0.302 | C | S | . | . | trans | 137.8 | 122.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D335 V336 I337 F386 | G333-D335 VanDerWaalsContact CA-OD1 3.29Å; G333-D335 WeakPolarHBondContact CA-OD1 3.07Å; G333-D335 PolarHBondContact O-N 3.26Å; G333-V336 WeakPolarHBondContact O-CB 3.32Å; G333-V336 PolarHBondContact O-N 2.81Å; G333-I337 PolarHBondContact O-N 2.89Å; G333-F386 WeakPolarHBondContact O-CE1 3.36Å | ||
| 334 | V | 90.3 | Very high | 92.3 | Very high | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -34.2 | 174.4 | 176 | 0 | 0 | 0 | 0 | 110.7 | I11 V336 I337 N338 F386 | I11-V334 HydrophobicContact CB-CG2 4.45Å; V334-V336 VanDerWaalsContact C-N 3.33Å; V334-I337 PolarHBondContact O-N 3.4Å; V334-N338 WeakPolarHBondContact CG1-ND2 3.49Å; V334-N338 WeakPolarHBondContact O-CB 3.2Å; V334-N338 PolarHBondContact O-N 3.2Å; V334-N338 PolarHBondContact O-ND2 2.88Å; V334-F386 HydrophobicContact CG2-CE1 3.95Å; V334-F386 HydrophobicContact CG2-CZ 3.63Å |
| 335 | D | 91.5 | Very high | 92.2 | Very high | 107 Ų | 107 | 50 Ų | 50 | 57% | 0.572 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.2 | -39.2 | 172 | 58.8 | -41.8 | 0 | 0 | 0 | 112.3 | G333 G339 | G333-D335 VanDerWaalsContact CA-OD1 3.29Å; G333-D335 WeakPolarHBondContact CA-OD1 3.07Å; G333-D335 PolarHBondContact O-N 3.26Å; D335-G339 PolarHBondContact O-N 3.07Å |
| 336 | V | 92.7 | Very high | 91.9 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 111 | V328 K330 G333 V334 A340 I399 | V328-V336 HydrophobicContact CB-CG1 3.68Å; V328-V336 HydrophobicContact CG1-CG1 3.84Å; V328-V336 HydrophobicContact CG2-CG1 4.21Å; K330-V336 HydrophobicContact CB-CG2 4.11Å; K330-V336 HydrophobicContact CD-CG2 4.21Å; G333-V336 WeakPolarHBondContact O-CB 3.32Å; G333-V336 PolarHBondContact O-N 2.81Å; V334-V336 VanDerWaalsContact C-N 3.33Å; V336-A340 PolarHBondContact O-N 3.3Å; V336-A340 VanDerWaalsContact O-N 3.14Å; V336-I399 HydrophobicContact CB-CD1 4.38Å; V336-I399 HydrophobicContact CG1-CD1 4.02Å |
| 337 | I | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 175.9 | -80.5 | 179.4 | 0 | 0 | 0 | 110.9 | G333 V334 G339 A340 L341 F386 A388 A397 I399 | G333-I337 PolarHBondContact O-N 2.89Å; V334-I337 PolarHBondContact O-N 3.4Å; I337-G339 VanDerWaalsContact C-N 3.34Å; I337-G339 PolarHBondContact O-N 2.88Å; I337-A340 WeakPolarHBondContact O-CB 3.37Å; I337-A340 PolarHBondContact O-N 2.98Å; I337-L341 HydrophobicContact CG2-CD1 3.71Å; I337-L341 HydrophobicContact CG2-CG 4.45Å; I337-L341 PolarHBondContact O-N 2.88Å; I337-F386 HydrophobicContact CD1-CD1 3.52Å; I337-F386 HydrophobicContact CD1-CE1 3.86Å; I337-F386 HydrophobicContact CG1-CD1 4.24Å; I337-A388 HydrophobicContact CD1-CB 3.71Å; I337-A388 HydrophobicContact CG2-CB 4.39Å; I337-A397 HydrophobicContact CD1-CB 4.26Å; I337-A397 HydrophobicContact CG1-CB 4.27Å; I337-A397 HydrophobicContact CG2-CB 3.69Å; I337-I399 HydrophobicContact CD1-CG1 4.3Å; I337-I399 HydrophobicContact CG1-CD1 4.08Å; I337-I399 HydrophobicContact CG1-CG1 3.99Å |
| 338 | N | 94.7 | Very high | 90.8 | Very high | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | -177.6 | -77.9 | -52.5 | 0 | 0 | 0 | 112.1 | V334 A340 L341 E342 G390 R391 | V334-N338 WeakPolarHBondContact CG1-ND2 3.49Å; V334-N338 WeakPolarHBondContact O-CB 3.2Å; V334-N338 PolarHBondContact O-N 3.2Å; V334-N338 PolarHBondContact O-ND2 2.88Å; N338-A340 VanDerWaalsContact C-N 3.33Å; N338-A340 PolarHBondContact O-N 2.81Å; N338-L341 PolarHBondContact O-N 2.84Å; N338-E342 WeakPolarHBondContact O-CB 3.34Å; N338-E342 WeakPolarHBondContact O-CG 3.39Å; N338-E342 PolarHBondContact O-N 3.31Å; N338-G390 VanDerWaalsContact OD1-CA 3.23Å; N338-G390 WeakPolarHBondContact OD1-CA 3.37Å; N338-R391 PolarHBondContact OD1-N 2.98Å |
| 339 | G | 94.4 | Very high | 90.1 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D335 I337 S343 | D335-G339 PolarHBondContact O-N 3.07Å; I337-G339 VanDerWaalsContact C-N 3.34Å; I337-G339 PolarHBondContact O-N 2.88Å; G339-S343 PolarHBondContact O-N 3.15Å; G339-S343 VanDerWaalsContact O-N 3.17Å |
| 340 | A | 94.6 | Very high | 89.6 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V326 V336 I337 N338 S343 V344 C409 M411 | V326-A340 HydrophobicContact CG2-CB 3.61Å; V336-A340 PolarHBondContact O-N 3.3Å; V336-A340 VanDerWaalsContact O-N 3.14Å; I337-A340 WeakPolarHBondContact O-CB 3.37Å; I337-A340 PolarHBondContact O-N 2.98Å; N338-A340 VanDerWaalsContact C-N 3.33Å; N338-A340 PolarHBondContact O-N 2.81Å; A340-S343 PolarHBondContact O-N 3.11Å; A340-V344 PolarHBondContact O-N 3.2Å; A340-C409 HydrophobicContact CB-CB 4.44Å; A340-M411 VanDerWaalsContact C-SD 3.53Å; A340-M411 HydrophobicContact CB-SD 3.77Å |
| 341 | L | 94.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 178 | -78.1 | 166.4 | 0 | 0 | 0 | 111.7 | L323 I337 N338 S343 V344 L345 T395 A397 M411 | L323-L341 HydrophobicContact CD1-CD2 4Å; I337-L341 HydrophobicContact CG2-CD1 3.71Å; I337-L341 HydrophobicContact CG2-CG 4.45Å; I337-L341 PolarHBondContact O-N 2.88Å; N338-L341 PolarHBondContact O-N 2.84Å; L341-S343 VanDerWaalsContact C-N 3.31Å; L341-S343 PolarHBondContact O-N 3.31Å; L341-V344 PolarHBondContact O-N 3.22Å; L341-V344 VanDerWaalsContact O-N 3.15Å; L341-L345 HydrophobicContact CB-CD1 4.5Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.15Å; L341-T395 HydrophobicContact CD2-CG2 4.41Å; L341-A397 HydrophobicContact CD1-CB 4.35Å; L341-M411 HydrophobicContact CD2-CB 3.72Å; L341-M411 HydrophobicContact CD2-CG 3.66Å; L341-M411 HydrophobicContact CD2-SD 4.06Å; L341-M411 HydrophobicContact CG-CG 4.06Å; L341-M411 HydrophobicContact CG-SD 4.2Å |
| 342 | E | 93.2 | Very high | 88.6 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 178.9 | -76.5 | 174.1 | -176.1 | 0 | 0 | 112.4 | N338 V344 S346 R391 | N338-E342 WeakPolarHBondContact O-CB 3.34Å; N338-E342 WeakPolarHBondContact O-CG 3.39Å; N338-E342 PolarHBondContact O-N 3.31Å; E342-V344 VanDerWaalsContact C-N 3.32Å; E342-V344 PolarHBondContact O-N 3.39Å; E342-S346 VanDerWaalsContact O-CB 3.24Å; E342-S346 WeakPolarHBondContact O-CB 3.35Å; E342-S346 PolarHBondContact O-N 3.44Å; E342-S346 PolarHBondContact O-OG 3.01Å; E342-R391 IonicContact OE1-CZ 3.83Å; E342-R391 IonicContact OE1-NE 3.69Å; E342-R391 IonicContact OE1-NH1 3.62Å; E342-R391 PolarHBondContact OE1-NH1 3.28Å; E342-R391 IonicContact OE2-NH1 3.98Å |
| 343 | S | 91.6 | Very high | 88.7 | Confident | 72 Ų | 72 | 56.1 Ų | 56.1 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 175.8 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | G339 A340 L341 S346 S347 | G339-S343 PolarHBondContact O-N 3.15Å; G339-S343 VanDerWaalsContact O-N 3.17Å; A340-S343 PolarHBondContact O-N 3.11Å; L341-S343 VanDerWaalsContact C-N 3.31Å; L341-S343 PolarHBondContact O-N 3.31Å; S343-S346 PolarHBondContact O-OG 3.47Å; S343-S347 WeakPolarHBondContact O-CB 3.34Å; S343-S347 PolarHBondContact O-N 2.69Å; S343-S347 PolarHBondContact O-OG 3.19Å |
| 344 | V | 91 | Very high | 89 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -78.1 | -42.9 | 179.8 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L323 V326 A340 L341 E342 S346 S347 S348 M411 | L323-V344 HydrophobicContact CB-CG1 4.02Å; L323-V344 HydrophobicContact CD2-CG1 4.32Å; V326-V344 HydrophobicContact CG1-CG2 4.38Å; A340-V344 PolarHBondContact O-N 3.2Å; L341-V344 PolarHBondContact O-N 3.22Å; L341-V344 VanDerWaalsContact O-N 3.15Å; E342-V344 VanDerWaalsContact C-N 3.32Å; E342-V344 PolarHBondContact O-N 3.39Å; V344-S346 VanDerWaalsContact C-N 3.29Å; V344-S346 PolarHBondContact O-N 3.2Å; V344-S347 PolarHBondContact O-N 3.07Å; V344-S347 PolarHBondContact O-OG 3.05Å; V344-S348 VanDerWaalsContact O-CB 3.26Å; V344-S348 WeakPolarHBondContact O-CB 3.43Å; V344-S348 PolarHBondContact O-N 3.37Å; V344-S348 PolarHBondContact O-OG 3.44Å; V344-M411 HydrophobicContact CG2-CE 3.62Å; V344-M411 HydrophobicContact CG2-SD 4.05Å |
| 345 | L | 90.4 | Very high | 89.2 | Confident | 59 Ų | 59 | 58 Ų | 58 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -28.7 | 180 | -66.2 | 172.3 | 0 | 0 | 0 | 112.9 | L323 L341 W353 T395 W413 | L323-L345 HydrophobicContact CD2-CD2 4.17Å; L341-L345 HydrophobicContact CB-CD1 4.5Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.15Å; L345-W353 HydrophobicContact CD2-CH2 3.82Å; L345-W353 HydrophobicContact CD2-CZ2 3.45Å; L345-W353 VanDerWaalsContact CD2-CZ2 3.45Å; L345-T395 HydrophobicContact CD1-CG2 4.03Å; L345-W413 HydrophobicContact CD2-CE3 4.33Å; L345-W413 HydrophobicContact CD2-CZ3 4.46Å |
| 346 | S | 88.5 | Confident | 89.5 | Confident | 102 Ų | 102 | 52.9 Ų | 52.9 | 71% | 0.713 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -81.2 | -26.4 | 175.2 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | E342 S343 V344 | E342-S346 VanDerWaalsContact O-CB 3.24Å; E342-S346 WeakPolarHBondContact O-CB 3.35Å; E342-S346 PolarHBondContact O-N 3.44Å; E342-S346 PolarHBondContact O-OG 3.01Å; S343-S346 PolarHBondContact O-OG 3.47Å; V344-S346 VanDerWaalsContact C-N 3.29Å; V344-S346 PolarHBondContact O-N 3.2Å |
| 347 | S | 83.4 | Confident | 89.5 | Confident | 85 Ų | 85 | 53 Ų | 53 | 59% | 0.594 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -96.4 | -26.1 | -176.6 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | S343 V344 | S343-S347 WeakPolarHBondContact O-CB 3.34Å; S343-S347 PolarHBondContact O-N 2.69Å; S343-S347 PolarHBondContact O-OG 3.19Å; V344-S347 PolarHBondContact O-N 3.07Å; V344-S347 PolarHBondContact O-OG 3.05Å |
| 348 | S | 81 | Confident | 89.6 | Confident | 32 Ų | 32 | 53.1 Ų | 53.1 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -114.4 | 125.8 | -172.6 | -51.4 | 0 | 0 | 0 | 0 | 110.6 | V344 | V344-S348 VanDerWaalsContact O-CB 3.26Å; V344-S348 WeakPolarHBondContact O-CB 3.43Å; V344-S348 PolarHBondContact O-N 3.37Å; V344-S348 PolarHBondContact O-OG 3.44Å |
| 349 | S | 81.6 | Confident | 89.6 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | trans | -75.3 | 155.8 | 171.2 | 77.1 | 0 | 0 | 0 | 0 | 110.6 | E351 Q352 W353 | S349-E351 WeakPolarHBondContact CB-OE2 3.24Å; S349-E351 PolarHBondContact O-N 3.39Å; S349-E351 VanDerWaalsContact O-N 3.1Å; S349-E351 PolarHBondContact OG-OE2 3.02Å; S349-Q352 WeakPolarHBondContact O-CB 3.12Å; S349-Q352 PolarHBondContact O-N 3.31Å; S349-Q352 PolarHBondContact OG-NE2 2.88Å; S349-W353 PolarHBondContact O-NE1 3.37Å | ||
| 350 | R | 78 | Confident | 89.7 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -61.2 | -23.6 | -173.4 | -170.6 | 162 | -178.8 | 166.5 | 1.9 | 113 | Q352 W353 E415 | R350-Q352 VanDerWaalsContact C-N 3.26Å; R350-Q352 PolarHBondContact O-N 2.93Å; R350-W353 HydrophobicContact CB-CD2 4.49Å; R350-W353 HydrophobicContact CB-CE3 4.43Å; R350-W353 HydrophobicContact CB-CH2 4.34Å; R350-W353 HydrophobicContact CB-CZ2 4.38Å; R350-W353 HydrophobicContact CB-CZ3 4.36Å; R350-W353 HydrophobicContact CG-CD2 4.24Å; R350-W353 HydrophobicContact CG-CE3 3.74Å; R350-W353 HydrophobicContact CG-CH2 4.06Å; R350-W353 HydrophobicContact CG-CZ3 3.64Å; R350-W353 PolarHBondContact O-N 3.26Å; R350-E415 IonicContact CZ-OE1 2.97Å; R350-E415 IonicContact NH2-OE1 3.66Å; R350-E415 PolarHBondContact NH2-OE1 3.11Å |
| 351 | E | 77.4 | Confident | 89.4 | Confident | 158 Ų | 158 | 51.8 Ų | 51.8 | 74% | 0.738 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -72.9 | -16.9 | 176.9 | -52.8 | 74.5 | -157.1 | 0 | 0 | 113.2 | S349 | S349-E351 WeakPolarHBondContact CB-OE2 3.24Å; S349-E351 PolarHBondContact O-N 3.39Å; S349-E351 VanDerWaalsContact O-N 3.1Å; S349-E351 PolarHBondContact OG-OE2 3.02Å |
| 352 | Q | 80.9 | Confident | 88.8 | Confident | 129 Ų | 129 | 53.5 Ų | 53.5 | 60% | 0.603 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -92.1 | -9.6 | 179.8 | -60.3 | 176.1 | 23.6 | 0 | 0 | 112.7 | S349 R350 | S349-Q352 WeakPolarHBondContact O-CB 3.12Å; S349-Q352 PolarHBondContact O-N 3.31Å; S349-Q352 PolarHBondContact OG-NE2 2.88Å; R350-Q352 VanDerWaalsContact C-N 3.26Å; R350-Q352 PolarHBondContact O-N 2.93Å |
| 353 | W | 91.3 | Very high | 88.4 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -74.2 | 137.1 | -179.3 | -54.8 | -13 | 0 | 0 | 0 | 110.5 | Y321 L323 L345 S349 R350 P355 W413 | Y321-W353 HydrophobicContact CD1-CB 4.27Å; Y321-W353 HydrophobicContact CG-CB 4.46Å; Y321-W353 HydrophobicContact CG-CE3 4.5Å; L323-W353 HydrophobicContact CD2-CD2 3.44Å; L323-W353 VanDerWaalsContact CD2-CD2 3.44Å; L323-W353 HydrophobicContact CD2-CE3 4.04Å; L323-W353 HydrophobicContact CD2-CG 3.68Å; L323-W353 HydrophobicContact CD2-CH2 4.4Å; L323-W353 HydrophobicContact CD2-CZ2 3.87Å; L323-W353 HydrophobicContact CD2-CZ3 4.47Å; L345-W353 HydrophobicContact CD2-CH2 3.82Å; L345-W353 HydrophobicContact CD2-CZ2 3.45Å; L345-W353 VanDerWaalsContact CD2-CZ2 3.45Å; S349-W353 PolarHBondContact O-NE1 3.37Å; R350-W353 HydrophobicContact CB-CD2 4.49Å; R350-W353 HydrophobicContact CB-CE3 4.43Å; R350-W353 HydrophobicContact CB-CH2 4.34Å; R350-W353 HydrophobicContact CB-CZ2 4.38Å; R350-W353 HydrophobicContact CB-CZ3 4.36Å; R350-W353 HydrophobicContact CG-CD2 4.24Å; R350-W353 HydrophobicContact CG-CE3 3.74Å; R350-W353 HydrophobicContact CG-CH2 4.06Å; R350-W353 HydrophobicContact CG-CZ3 3.64Å; R350-W353 PolarHBondContact O-N 3.26Å; W353-P355 VanDerWaalsContact O-CD 3.27Å; W353-P355 WeakPolarHBondContact O-CD 3.35Å; W353-W413 HydrophobicContact CE3-CB 4.01Å; W353-W413 HydrophobicContact CE3-CD2 4.48Å; W353-W413 HydrophobicContact CE3-CG 4.09Å; W353-W413 AromaticContact CH2-CD2 3.88Å; W353-W413 HydrophobicContact CH2-CD2 3.88Å; W353-W413 AromaticContact CH2-CE3 3.63Å; W353-W413 HydrophobicContact CH2-CE3 3.63Å; W353-W413 HydrophobicContact CH2-CG 4.32Å; W353-W413 HydrophobicContact CH2-CZ3 4.13Å; W353-W413 HydrophobicContact CZ3-CB 3.82Å; W353-W413 AromaticContact CZ3-CD2 3.46Å; W353-W413 HydrophobicContact CZ3-CD2 3.46Å; W353-W413 VanDerWaalsContact CZ3-CD2 3.46Å; W353-W413 AromaticContact CZ3-CE3 3.73Å; W353-W413 HydrophobicContact CZ3-CE3 3.73Å; W353-W413 AromaticContact CZ3-CG 3.49Å; W353-W413 HydrophobicContact CZ3-CG 3.49Å; W353-W413 VanDerWaalsContact CZ3-CG 3.49Å |
| 354 | T | 92.8 | Very high | 88.4 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 31% | 0.307 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 114.4 | -172.3 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | Y322 S356 H369 L376 | Y322-T354 PolarHBondContact N-O 2.94Å; Y322-T354 PolarHBondContact O-N 2.86Å; Y322-T354 VanDerWaalsContact O-N 3.1Å; T354-S356 PolarHBondContact O-N 2.8Å; T354-S356 PolarHBondContact O-OG 2.91Å; T354-H369 VanDerWaalsContact CG2-CD2 3.46Å; T354-H369 WeakPolarHBondContact CG2-CD2 3.4Å; T354-L376 HydrophobicContact CG2-CD1 3.75Å |
| 355 | P | 95.5 | Very high | 88.6 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 21% | 0.214 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 123.4 | 177.1 | -16.6 | 30.7 | 0 | 0 | 0 | 109.7 | Y321 W353 Q370 | Y321-P355 HydrophobicContact CD1-CB 4.26Å; Y321-P355 HydrophobicContact CD1-CG 4.2Å; Y321-P355 HydrophobicContact CE1-CB 4.12Å; Y321-P355 HydrophobicContact CE1-CG 4Å; W353-P355 VanDerWaalsContact O-CD 3.27Å; W353-P355 WeakPolarHBondContact O-CD 3.35Å; P355-Q370 HydrophobicContact CB-CB 4.05Å; P355-Q370 VanDerWaalsContact O-CB 3.24Å; P355-Q370 WeakPolarHBondContact O-CB 3.36Å; P355-Q370 PolarHBondContact O-N 3.49Å |
| 356 | S | 96.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162.7 | -166 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | V320 Y322 T354 L368 L376 | V320-S356 PolarHBondContact N-O 3.01Å; V320-S356 CarbonylContact O-C 3.54Å; V320-S356 WeakPolarHBondContact O-CA 3.47Å; V320-S356 PolarHBondContact O-N 3.26Å; Y322-S356 VanDerWaalsContact CB-OG 3.31Å; Y322-S356 WeakPolarHBondContact CB-OG 3.25Å; T354-S356 PolarHBondContact O-N 2.8Å; T354-S356 PolarHBondContact O-OG 2.91Å; S356-L368 CarbonylContact C-O 3.47Å; S356-L368 WeakPolarHBondContact CA-O 3.48Å; S356-L368 VanDerWaalsContact CB-O 3.31Å; S356-L368 WeakPolarHBondContact CB-O 3.29Å; S356-L376 WeakPolarHBondContact OG-CD1 3.25Å |
| 357 | H | 93.8 | Very high | 89.2 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138 | 164.8 | -61.7 | 105.7 | 0 | 0 | 0 | 110 | F318 Q319 L368 | F318-H357 CarbonylContact O-C 3.58Å; F318-H357 VanDerWaalsContact O-CA 3.23Å; F318-H357 WeakPolarHBondContact O-CA 3.48Å; Q319-H357 WeakPolarHBondContact CG-CD2 3.37Å; Q319-H357 WeakPolarHBondContact CG-NE2 3.34Å; H357-L368 PolarHBondContact N-O 2.8Å; H357-L368 PolarHBondContact O-N 3.41Å |
| 358 | V | 96.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.8 | 166.7 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | K317 F318 V320 V360 T366 F412 L421 | K317-V358 CarbonylContact C-O 3.59Å; K317-V358 WeakPolarHBondContact CA-O 3.39Å; F318-V358 PolarHBondContact N-O 3.45Å; F318-V358 PolarHBondContact O-N 3.49Å; V320-V358 HydrophobicContact CG2-CG2 3.62Å; V358-V360 HydrophobicContact CG1-CG2 4.03Å; V358-T366 WeakPolarHBondContact CA-O 3.49Å; V358-F412 HydrophobicContact CG2-CD1 3.76Å; V358-F412 HydrophobicContact CG2-CE1 3.5Å; V358-F412 VanDerWaalsContact CG2-CE1 3.5Å; V358-F412 HydrophobicContact CG2-CZ 4.23Å; V358-L421 HydrophobicContact CB-CD1 4.04Å; V358-L421 HydrophobicContact CG1-CD1 3.85Å; V358-L421 HydrophobicContact CG2-CD2 4.45Å |
| 359 | S | 95.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 108.5 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 109 | V315 Q316 L365 T366 | V315-S359 WeakPolarHBondContact CG1-OG 3.24Å; Q316-S359 CarbonylContact O-C 3.57Å; Q316-S359 WeakPolarHBondContact O-CA 3.48Å; S359-L365 WeakPolarHBondContact O-CA 3.49Å; S359-T366 PolarHBondContact N-O 3.46Å; S359-T366 PolarHBondContact O-N 3.37Å |
| 360 | V | 94.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 108.2 | -177.3 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | V315 Q316 F318 V358 L365 L421 A424 V425 A428 | V315-V360 WeakPolarHBondContact CA-O 3.42Å; Q316-V360 PolarHBondContact N-O 3.33Å; Q316-V360 VanDerWaalsContact N-O 3.15Å; Q316-V360 PolarHBondContact O-N 3.44Å; F318-V360 HydrophobicContact CD2-CG2 3.84Å; F318-V360 HydrophobicContact CE2-CB 4.22Å; F318-V360 HydrophobicContact CE2-CG2 3.69Å; V358-V360 HydrophobicContact CG1-CG2 4.03Å; V360-L365 HydrophobicContact CB-CD2 4.09Å; V360-L365 HydrophobicContact CG1-CD2 3.66Å; V360-L365 HydrophobicContact CG2-CD2 4.07Å; V360-L421 HydrophobicContact CG2-CD1 3.98Å; V360-A424 HydrophobicContact CB-CB 4.5Å; V360-A424 HydrophobicContact CG1-CB 4.25Å; V360-A424 HydrophobicContact CG2-CB 4.35Å; V360-V425 HydrophobicContact CG2-CG2 4.02Å; V360-A428 HydrophobicContact CG1-CB 4.02Å |
| 361 | A | 89.6 | Confident | 91.1 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | trans | -110.4 | 161.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V315 A363 T364 | V315-A361 HydrophobicContact CG2-CB 4.07Å; A361-A363 PolarHBondContact O-N 3.11Å; A361-T364 WeakPolarHBondContact CA-O 3.49Å; A361-T364 WeakPolarHBondContact CB-O 3.32Å; A361-T364 PolarHBondContact N-O 3.38Å; A361-T364 PolarHBondContact O-N 2.76Å; A361-T364 VanDerWaalsContact O-O 3.12Å | ||
| 362 | P | 81.8 | Confident | 91.6 | Very high | 39 Ų | 39 | 39.2 Ų | 39.2 | 25% | 0.253 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -58.3 | -23.1 | -174.4 | -27.5 | 35.6 | 0 | 0 | 0 | 115.7 | ||
| 363 | A | 84.9 | Confident | 91.9 | Very high | 42 Ų | 42 | 38.4 Ų | 38.4 | 35% | 0.347 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -118.4 | -16 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A361 V381 | A361-A363 PolarHBondContact O-N 3.11Å; A363-V381 VanDerWaalsContact C-CG2 3.47Å; A363-V381 PolarHBondContact O-N 3.46Å |
| 364 | T | 91.3 | Very high | 91.8 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 139.6 | -168.6 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | A361 E378 | A361-T364 WeakPolarHBondContact CA-O 3.49Å; A361-T364 WeakPolarHBondContact CB-O 3.32Å; A361-T364 PolarHBondContact N-O 3.38Å; A361-T364 PolarHBondContact O-N 2.76Å; A361-T364 VanDerWaalsContact O-O 3.12Å; T364-E378 HydrophobicContact CG2-CG 3.46Å; T364-E378 VanDerWaalsContact CG2-CG 3.46Å |
| 365 | L | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.9 | 166.5 | -45.7 | 177.5 | 0 | 0 | 0 | 107.7 | S359 V360 C379 V381 L384 F398 V425 | S359-L365 WeakPolarHBondContact O-CA 3.49Å; V360-L365 HydrophobicContact CB-CD2 4.09Å; V360-L365 HydrophobicContact CG1-CD2 3.66Å; V360-L365 HydrophobicContact CG2-CD2 4.07Å; L365-C379 HydrophobicContact CB-CB 4.21Å; L365-C379 PolarHBondContact N-O 3.19Å; L365-C379 PolarHBondContact O-N 3.06Å; L365-V381 HydrophobicContact CD2-CG2 4.27Å; L365-V381 HydrophobicContact CG-CG2 4.32Å; L365-L384 HydrophobicContact CD1-CD2 3.84Å; L365-F398 HydrophobicContact CD1-CD1 4.36Å; L365-F398 HydrophobicContact CD1-CE1 3.87Å; L365-F398 HydrophobicContact CD1-CZ 4.02Å; L365-V425 HydrophobicContact CD1-CG1 3.81Å; L365-V425 HydrophobicContact CD1-CG2 4.05Å; L365-V425 HydrophobicContact CD2-CG2 4.14Å |
| 366 | T | 95.8 | Very high | 91.6 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.9 | 177.8 | -48.2 | 0 | 0 | 0 | 0 | 109.5 | V358 S359 L368 V375 | V358-T366 WeakPolarHBondContact CA-O 3.49Å; S359-T366 PolarHBondContact N-O 3.46Å; S359-T366 PolarHBondContact O-N 3.37Å; T366-L368 HydrophobicContact CG2-CD2 3.9Å; T366-L368 HydrophobicContact CG2-CG 4.02Å; T366-V375 HydrophobicContact CG2-CG1 4.04Å; T366-V375 HydrophobicContact CG2-CG2 4.4Å |
| 367 | I | 96.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 119.3 | 176.6 | -48 | 167.6 | 0 | 0 | 0 | 106.8 | Y322 L376 G377 F412 | Y322-I367 HydrophobicContact CD1-CG2 4.28Å; Y322-I367 HydrophobicContact CD2-CD1 4.29Å; Y322-I367 HydrophobicContact CD2-CG2 4.14Å; Y322-I367 HydrophobicContact CE2-CD1 3.79Å; Y322-I367 HydrophobicContact CG-CG2 3.99Å; I367-L376 HydrophobicContact CB-CB 4.35Å; I367-L376 HydrophobicContact CG2-CB 4.08Å; I367-L376 HydrophobicContact CG2-CD1 4.36Å; I367-L376 PolarHBondContact O-N 3.02Å; I367-G377 PolarHBondContact N-O 3.44Å; I367-G377 PolarHBondContact O-N 2.86Å; I367-F412 HydrophobicContact CD1-CE1 3.8Å; I367-F412 HydrophobicContact CD1-CZ 3.6Å; I367-F412 HydrophobicContact CG1-CE1 3.95Å; I367-F412 HydrophobicContact CG1-CZ 4.02Å; I367-F412 HydrophobicContact CG2-CE1 4.14Å |
| 368 | L | 93.9 | Very high | 91.3 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139 | -173.9 | -63.1 | 162.7 | 0 | 0 | 0 | 109.5 | S356 H357 T366 E373 A374 V375 | S356-L368 CarbonylContact C-O 3.47Å; S356-L368 WeakPolarHBondContact CA-O 3.48Å; S356-L368 VanDerWaalsContact CB-O 3.31Å; S356-L368 WeakPolarHBondContact CB-O 3.29Å; H357-L368 PolarHBondContact N-O 2.8Å; H357-L368 PolarHBondContact O-N 3.41Å; T366-L368 HydrophobicContact CG2-CD2 3.9Å; T366-L368 HydrophobicContact CG2-CG 4.02Å; L368-E373 WeakPolarHBondContact CD2-O 3.4Å; L368-A374 CarbonylContact C-O 3.57Å; L368-A374 WeakPolarHBondContact CA-O 3.36Å; L368-V375 HydrophobicContact CD2-CB 4.42Å; L368-V375 HydrophobicContact CD2-CG2 3.73Å |
| 369 | H | 93.1 | Very high | 91.1 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 135.9 | 170.6 | -173.8 | -101.6 | 0 | 0 | 0 | 110.4 | T354 Q371 T372 E373 A374 L376 | T354-H369 VanDerWaalsContact CG2-CD2 3.46Å; T354-H369 WeakPolarHBondContact CG2-CD2 3.4Å; H369-Q371 VanDerWaalsContact C-N 3.33Å; H369-Q371 PolarHBondContact ND1-N 3.08Å; H369-Q371 PolarHBondContact O-N 3.01Å; H369-T372 WeakPolarHBondContact CB-OG1 3.5Å; H369-T372 PolarHBondContact ND1-N 3.21Å; H369-T372 PolarHBondContact ND1-OG1 3.43Å; H369-E373 VanDerWaalsContact O-CA 3.3Å; H369-E373 WeakPolarHBondContact O-CA 3.2Å; H369-E373 PolarHBondContact O-N 3.45Å; H369-A374 HydrophobicContact CB-CB 4.29Å; H369-A374 PolarHBondContact N-O 3.12Å; H369-L376 HydrophobicContact CB-CD1 4.19Å; H369-L376 HydrophobicContact CB-CD2 4.28Å; H369-L376 HydrophobicContact CB-CG 4.24Å |
| 370 | Q | 89.4 | Confident | 90.8 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 33% | 0.327 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -35.2 | -170.5 | 176.1 | 169.7 | 1.5 | 0 | 0 | 113.9 | P355 | P355-Q370 HydrophobicContact CB-CB 4.05Å; P355-Q370 VanDerWaalsContact O-CB 3.24Å; P355-Q370 WeakPolarHBondContact O-CB 3.36Å; P355-Q370 PolarHBondContact O-N 3.49Å |
| 371 | Q | 87.5 | Confident | 90.5 | Very high | 154 Ų | 154 | 52.9 Ų | 52.9 | 72% | 0.72 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -32.4 | -173 | -67.1 | 152.4 | 5 | 0 | 0 | 113.6 | H369 | H369-Q371 VanDerWaalsContact C-N 3.33Å; H369-Q371 PolarHBondContact ND1-N 3.08Å; H369-Q371 PolarHBondContact O-N 3.01Å |
| 372 | T | 87.9 | Confident | 90.3 | Very high | 97 Ų | 97 | 59.2 Ų | 59.2 | 60% | 0.595 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -8.1 | -173 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | H369 A374 | H369-T372 WeakPolarHBondContact CB-OG1 3.5Å; H369-T372 PolarHBondContact ND1-N 3.21Å; H369-T372 PolarHBondContact ND1-OG1 3.43Å; T372-A374 PolarHBondContact O-N 3.15Å; T372-A374 WeakPolarHBondContact OG1-CB 3.45Å; T372-A374 PolarHBondContact OG1-N 3.07Å |
| 373 | E | 87 | Confident | 90.6 | Very high | 112 Ų | 112 | 60.6 Ų | 60.6 | 52% | 0.523 | 31% | 0.31 | S | S | . | . | trans | 51.2 | 18.3 | -169.8 | -60.4 | -158.7 | 123.9 | 0 | 0 | 113.8 | K317 L368 H369 V375 | K317-E373 IonicContact NZ-OE1 2.81Å; L368-E373 WeakPolarHBondContact CD2-O 3.4Å; H369-E373 VanDerWaalsContact O-CA 3.3Å; H369-E373 WeakPolarHBondContact O-CA 3.2Å; H369-E373 PolarHBondContact O-N 3.45Å; E373-V375 PolarHBondContact O-N 3.29Å | ||
| 374 | A | 88.8 | Confident | 90.9 | Very high | 47 Ų | 47 | 58.9 Ų | 58.9 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | trans | -65.3 | 133.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L368 H369 T372 L376 | L368-A374 CarbonylContact C-O 3.57Å; L368-A374 WeakPolarHBondContact CA-O 3.36Å; H369-A374 HydrophobicContact CB-CB 4.29Å; H369-A374 PolarHBondContact N-O 3.12Å; T372-A374 PolarHBondContact O-N 3.15Å; T372-A374 WeakPolarHBondContact OG1-CB 3.45Å; T372-A374 PolarHBondContact OG1-N 3.07Å; A374-L376 PolarHBondContact O-N 2.95Å | ||
| 375 | V | 91.5 | Very high | 90.8 | Very high | 95 Ų | 95 | 57.5 Ų | 57.5 | 58% | 0.576 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 110.8 | 178.8 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | T366 L368 E373 | T366-V375 HydrophobicContact CG2-CG1 4.04Å; T366-V375 HydrophobicContact CG2-CG2 4.4Å; L368-V375 HydrophobicContact CD2-CB 4.42Å; L368-V375 HydrophobicContact CD2-CG2 3.73Å; E373-V375 PolarHBondContact O-N 3.29Å |
| 376 | L | 91.7 | Very high | 90.6 | Very high | 68 Ų | 68 | 57.7 Ų | 57.7 | 36% | 0.356 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -26.5 | 175.5 | -58.3 | 178.5 | 0 | 0 | 0 | 111.7 | Y322 T354 S356 I367 H369 A374 | Y322-L376 HydrophobicContact CD1-CB 4.46Å; Y322-L376 HydrophobicContact CD1-CD1 4.2Å; T354-L376 HydrophobicContact CG2-CD1 3.75Å; S356-L376 WeakPolarHBondContact OG-CD1 3.25Å; I367-L376 HydrophobicContact CB-CB 4.35Å; I367-L376 HydrophobicContact CG2-CB 4.08Å; I367-L376 HydrophobicContact CG2-CD1 4.36Å; I367-L376 PolarHBondContact O-N 3.02Å; H369-L376 HydrophobicContact CB-CD1 4.19Å; H369-L376 HydrophobicContact CB-CD2 4.28Å; H369-L376 HydrophobicContact CB-CG 4.24Å; A374-L376 PolarHBondContact O-N 2.95Å |
| 377 | G | 91.1 | Very high | 90.5 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | 146.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I367 | I367-G377 PolarHBondContact N-O 3.44Å; I367-G377 PolarHBondContact O-N 2.86Å |
| 378 | E | 92.7 | Very high | 90.3 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117 | 173.8 | -173.1 | -172.6 | 130.5 | 0 | 0 | 109.4 | T364 R380 | T364-E378 HydrophobicContact CG2-CG 3.46Å; T364-E378 VanDerWaalsContact CG2-CG 3.46Å; E378-R380 IonicContact OE1-NE 3.28Å; E378-R380 IonicContact OE1-NH2 2.72Å |
| 379 | C | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 113.6 | -175.4 | -52.3 | 0 | 0 | 0 | 0 | 109.4 | L365 L384 F398 M400 | L365-C379 HydrophobicContact CB-CB 4.21Å; L365-C379 PolarHBondContact N-O 3.19Å; L365-C379 PolarHBondContact O-N 3.06Å; C379-L384 HydrophobicContact CB-CD1 4.44Å; C379-F398 HydrophobicContact CB-CE2 3.85Å; C379-F398 HydrophobicContact CB-CZ 3.94Å; C379-M400 HydrophobicContact CB-SD 3.92Å; C379-M400 VanDerWaalsContact SG-SD 3.7Å |
| 380 | R | 89.6 | Confident | 90.1 | Very high | 126 Ų | 126 | 56.4 Ų | 56.4 | 48% | 0.475 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 131.3 | 178.5 | -60.2 | -174.5 | 174.6 | 123.9 | 3.5 | 110.7 | E378 R382 F383 L384 | E378-R380 IonicContact OE1-NE 3.28Å; E378-R380 IonicContact OE1-NH2 2.72Å; R380-R382 HydrophobicContact CB-CG 3.89Å; R380-R382 PolarHBondContact O-N 3.45Å; R380-F383 HydrophobicContact CB-CD2 3.8Å; R380-F383 HydrophobicContact CB-CE2 4.29Å; R380-F383 HydrophobicContact CG-CD2 4.46Å; R380-F383 PolarHBondContact O-N 3.44Å; R380-L384 WeakPolarHBondContact O-CD1 3.48Å |
| 381 | V | 89.3 | Confident | 90 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -54.9 | -33.1 | -177.8 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | A363 L365 F383 L384 A428 C429 R432 | A363-V381 VanDerWaalsContact C-CG2 3.47Å; A363-V381 PolarHBondContact O-N 3.46Å; L365-V381 HydrophobicContact CD2-CG2 4.27Å; L365-V381 HydrophobicContact CG-CG2 4.32Å; V381-F383 PolarHBondContact O-N 3.33Å; V381-L384 PolarHBondContact O-N 3.13Å; V381-A428 HydrophobicContact CG2-CB 4.32Å; V381-C429 HydrophobicContact CG1-CB 4.32Å; V381-R432 HydrophobicContact CG1-CB 4.1Å |
| 382 | R | 85.4 | Confident | 90.2 | Very high | 146 Ų | 146 | 57.4 Ų | 57.4 | 55% | 0.551 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -60.2 | -24.2 | 174.8 | 44.1 | -177 | -77.9 | 170.7 | -5.7 | 115.3 | R380 R432 | R380-R382 HydrophobicContact CB-CG 3.89Å; R380-R382 PolarHBondContact O-N 3.45Å; R382-R432 VanDerWaalsContact CB-NE 3.33Å |
| 383 | F | 87.7 | Confident | 90.4 | Very high | 67 Ų | 67 | 57 Ų | 57 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -102.6 | -3.3 | -174.8 | -61.6 | -53.8 | 0 | 0 | 0 | 112.1 | R380 V381 S385 M400 A401 | R380-F383 HydrophobicContact CB-CD2 3.8Å; R380-F383 HydrophobicContact CB-CE2 4.29Å; R380-F383 HydrophobicContact CG-CD2 4.46Å; R380-F383 PolarHBondContact O-N 3.44Å; V381-F383 PolarHBondContact O-N 3.33Å; F383-S385 PolarHBondContact O-N 3.36Å; F383-M400 CarbonylContact O-C 3.49Å; F383-M400 WeakPolarHBondContact O-CA 3.12Å; F383-A401 PolarHBondContact O-N 3.39Å |
| 384 | L | 91.6 | Very high | 90.7 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 128.4 | 169 | -85 | 60.2 | 0 | 0 | 0 | 108.2 | L8 L365 C379 R380 V381 F398 I399 M400 V425 | L8-L384 HydrophobicContact CD1-CB 4.27Å; L8-L384 WeakPolarHBondContact CD1-O 3.37Å; L365-L384 HydrophobicContact CD1-CD2 3.84Å; C379-L384 HydrophobicContact CB-CD1 4.44Å; R380-L384 WeakPolarHBondContact O-CD1 3.48Å; V381-L384 PolarHBondContact O-N 3.13Å; L384-F398 HydrophobicContact CD1-CD2 4.3Å; L384-F398 HydrophobicContact CD1-CE2 4.42Å; L384-F398 HydrophobicContact CD2-CB 4.49Å; L384-F398 HydrophobicContact CD2-CD2 4.34Å; L384-F398 HydrophobicContact CD2-CG 4.33Å; L384-F398 HydrophobicContact CG-CD2 4.01Å; L384-F398 HydrophobicContact CG-CG 4.43Å; L384-I399 WeakPolarHBondContact CA-O 3.44Å; L384-M400 HydrophobicContact CD1-CB 4.37Å; L384-V425 HydrophobicContact CD2-CG1 3.84Å |
| 385 | S | 87.5 | Confident | 91 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -28.4 | 177 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | P331 F383 I399 | P331-S385 VanDerWaalsContact O-CB 3.29Å; P331-S385 WeakPolarHBondContact O-CB 3.44Å; P331-S385 PolarHBondContact O-OG 3.25Å; F383-S385 PolarHBondContact O-N 3.36Å; S385-I399 PolarHBondContact N-O 2.89Å; S385-I399 WeakPolarHBondContact OG-CG2 3.26Å; S385-I399 PolarHBondContact OG-O 2.64Å |
| 386 | F | 91.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 150.8 | -177.7 | -163 | -116.3 | 0 | 0 | 0 | 111.2 | A9 P331 V332 G333 V334 I337 A388 F398 I399 | A9-F386 HydrophobicContact CB-CD2 4.17Å; A9-F386 HydrophobicContact CB-CE2 4.08Å; A9-F386 WeakPolarHBondContact O-CD2 3.21Å; A9-F386 WeakPolarHBondContact O-CE2 3.37Å; P331-F386 VanDerWaalsContact O-CB 3.3Å; P331-F386 WeakPolarHBondContact O-CB 3.38Å; V332-F386 HydrophobicContact CB-CB 4.32Å; V332-F386 HydrophobicContact CB-CD2 4Å; V332-F386 HydrophobicContact CB-CG 4.17Å; V332-F386 HydrophobicContact CG1-CB 4.1Å; V332-F386 HydrophobicContact CG1-CD2 4.09Å; V332-F386 HydrophobicContact CG1-CG 4.35Å; G333-F386 WeakPolarHBondContact O-CE1 3.36Å; V334-F386 HydrophobicContact CG2-CE1 3.95Å; V334-F386 HydrophobicContact CG2-CZ 3.63Å; I337-F386 HydrophobicContact CD1-CD1 3.52Å; I337-F386 HydrophobicContact CD1-CE1 3.86Å; I337-F386 HydrophobicContact CG1-CD1 4.24Å; F386-A388 HydrophobicContact CE1-CB 4.09Å; F386-F398 CarbonylContact O-C 3.54Å; F386-F398 VanDerWaalsContact O-CA 3.25Å; F386-F398 WeakPolarHBondContact O-CA 3.42Å; F386-F398 WeakPolarHBondContact O-CB 3.24Å; F386-I399 HydrophobicContact CB-CB 4.18Å; F386-I399 HydrophobicContact CB-CD1 4.22Å; F386-I399 HydrophobicContact CB-CG1 4.37Å; F386-I399 HydrophobicContact CD1-CD1 4.27Å; F386-I399 PolarHBondContact N-O 2.96Å; F386-I399 PolarHBondContact O-N 3.43Å |
| 387 | L | 94.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 146.4 | 172.3 | 66.8 | 100.2 | 0 | 0 | 0 | 109.4 | L8 F396 A397 F398 V425 | L8-L387 HydrophobicContact CD2-CD2 4.2Å; L387-F396 HydrophobicContact CB-CE2 4.34Å; L387-F396 HydrophobicContact CB-CZ 4.32Å; L387-F396 HydrophobicContact CD1-CE2 4.06Å; L387-F396 HydrophobicContact CD1-CZ 4.43Å; L387-A397 WeakPolarHBondContact CA-O 3.24Å; L387-F398 HydrophobicContact CB-CB 3.8Å; L387-V425 HydrophobicContact CD2-CG1 4.22Å |
| 388 | A | 91 | Very high | 91.8 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 151.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I337 F386 F396 A397 | I337-A388 HydrophobicContact CD1-CB 3.71Å; I337-A388 HydrophobicContact CG2-CB 4.39Å; F386-A388 HydrophobicContact CE1-CB 4.09Å; A388-F396 WeakPolarHBondContact O-CD2 3.24Å; A388-A397 PolarHBondContact N-O 2.77Å; A388-A397 PolarHBondContact O-N 2.92Å |
| 389 | V | 93.6 | Very high | 91.9 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 134.8 | 158.1 | -179.3 | 0 | 0 | 0 | 0 | 107 | T395 F396 A418 | V389-T395 CarbonylContact C-O 3.37Å; V389-T395 WeakPolarHBondContact CA-O 3.35Å; V389-T395 WeakPolarHBondContact CG1-O 3.42Å; V389-F396 HydrophobicContact CG2-CD2 4.4Å; V389-A418 HydrophobicContact CG1-CB 4.01Å; V389-A418 HydrophobicContact CG2-CB 3.94Å |
| 390 | G | 88.9 | Confident | 91.9 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | trans | -72.3 | -175.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N338 D392 T395 | N338-G390 VanDerWaalsContact OD1-CA 3.23Å; N338-G390 WeakPolarHBondContact OD1-CA 3.37Å; G390-D392 PolarHBondContact O-N 3.08Å; G390-T395 VanDerWaalsContact CA-OG1 3.24Å; G390-T395 WeakPolarHBondContact CA-OG1 3.3Å; G390-T395 PolarHBondContact N-O 3.42Å; G390-T395 PolarHBondContact N-OG1 3.13Å | ||
| 391 | R | 89 | Confident | 91.7 | Very high | 181 Ų | 181 | 34.5 Ų | 34.5 | 68% | 0.683 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -57 | -32.9 | 175.4 | -72.2 | 176.8 | 178.5 | 155.7 | 1.6 | 112.7 | N338 E342 | N338-R391 PolarHBondContact OD1-N 2.98Å; E342-R391 IonicContact OE1-CZ 3.83Å; E342-R391 IonicContact OE1-NE 3.69Å; E342-R391 IonicContact OE1-NH1 3.62Å; E342-R391 PolarHBondContact OE1-NH1 3.28Å; E342-R391 IonicContact OE2-NH1 3.98Å |
| 392 | D | 90.1 | Very high | 91.4 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 34% | 0.337 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -89.4 | 128.7 | 170.8 | -170.2 | -32.3 | 0 | 0 | 0 | 109.4 | G390 H394 T395 W413 | G390-D392 PolarHBondContact O-N 3.08Å; D392-H394 PolarHBondContact O-N 3.48Å; D392-H394 VanDerWaalsContact O-N 3.07Å; D392-H394 IonicContact OD1-CE1 3.67Å; D392-H394 IonicContact OD1-CG 2.57Å; D392-H394 PolarHBondContact OD1-N 3.13Å; D392-H394 IonicContact OD1-ND1 3.55Å; D392-H394 PolarHBondContact OD1-ND1 3.25Å; D392-H394 IonicContact OD2-ND1 3.49Å; D392-T395 HydrophobicContact CB-CG2 3.97Å; D392-T395 PolarHBondContact O-N 3.05Å; D392-T395 PolarHBondContact O-OG1 2.88Å; D392-W413 WeakPolarHBondContact OD2-CH2 3.35Å |
| 393 | V | 91.9 | Very high | 91.1 | Very high | 88 Ų | 88 | 32 Ų | 32 | 53% | 0.533 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.9 | 179.4 | -60.1 | 0 | 0 | 0 | 0 | 113.7 | N417 A418 | V393-N417 HydrophobicContact CB-CB 4.49Å; V393-N417 HydrophobicContact CG2-CB 4.44Å; V393-A418 VanDerWaalsContact O-CB 3.26Å; V393-A418 WeakPolarHBondContact O-CB 3.48Å; V393-A418 PolarHBondContact O-N 2.71Å |
| 394 | H | 93.9 | Very high | 90.6 | Very high | 50 Ų | 50 | 35.2 Ų | 35.2 | 23% | 0.231 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -15.6 | 175.5 | -53.5 | 87.3 | 0 | 0 | 0 | 112.4 | D392 W413 C414 P416 | D392-H394 PolarHBondContact O-N 3.48Å; D392-H394 VanDerWaalsContact O-N 3.07Å; D392-H394 IonicContact OD1-CE1 3.67Å; D392-H394 IonicContact OD1-CG 2.57Å; D392-H394 PolarHBondContact OD1-N 3.13Å; D392-H394 IonicContact OD1-ND1 3.55Å; D392-H394 PolarHBondContact OD1-ND1 3.25Å; D392-H394 IonicContact OD2-ND1 3.49Å; H394-W413 HydrophobicContact CB-CD2 3.93Å; H394-W413 HydrophobicContact CB-CE3 4.22Å; H394-W413 HydrophobicContact CB-CH2 3.79Å; H394-W413 HydrophobicContact CB-CZ2 3.48Å; H394-W413 VanDerWaalsContact CB-CZ2 3.48Å; H394-W413 HydrophobicContact CB-CZ3 4.15Å; H394-W413 AromaticContact CG-CZ2 3.68Å; H394-W413 CarbonylContact O-C 3.56Å; H394-W413 WeakPolarHBondContact O-CA 3.36Å; H394-C414 WeakPolarHBondContact CB-O 3.37Å; H394-C414 PolarHBondContact CD2-O 3.45Å; H394-C414 PolarHBondContact O-N 2.69Å; H394-P416 PolarHBondContact CD2-O 2.9Å; H394-P416 PolarHBondContact NE2-O 2.82Å; H394-P416 VanDerWaalsContact NE2-O 3.08Å |
| 395 | T | 94.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 131.3 | -175.6 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | L341 L345 V389 G390 D392 F412 W413 | L341-T395 HydrophobicContact CD2-CG2 4.41Å; L345-T395 HydrophobicContact CD1-CG2 4.03Å; V389-T395 CarbonylContact C-O 3.37Å; V389-T395 WeakPolarHBondContact CA-O 3.35Å; V389-T395 WeakPolarHBondContact CG1-O 3.42Å; G390-T395 VanDerWaalsContact CA-OG1 3.24Å; G390-T395 WeakPolarHBondContact CA-OG1 3.3Å; G390-T395 PolarHBondContact N-O 3.42Å; G390-T395 PolarHBondContact N-OG1 3.13Å; D392-T395 HydrophobicContact CB-CG2 3.97Å; D392-T395 PolarHBondContact O-N 3.05Å; D392-T395 PolarHBondContact O-OG1 2.88Å; T395-F412 WeakPolarHBondContact CA-O 3.42Å; T395-W413 HydrophobicContact CG2-CE3 3.74Å; T395-W413 HydrophobicContact CG2-CZ3 3.81Å |
| 396 | F | 97.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141.3 | 175.6 | 177.9 | -113.9 | 0 | 0 | 0 | 109.8 | L387 A388 V389 F398 F412 A418 L421 S422 V425 | L387-F396 HydrophobicContact CB-CE2 4.34Å; L387-F396 HydrophobicContact CB-CZ 4.32Å; L387-F396 HydrophobicContact CD1-CE2 4.06Å; L387-F396 HydrophobicContact CD1-CZ 4.43Å; A388-F396 WeakPolarHBondContact O-CD2 3.24Å; V389-F396 HydrophobicContact CG2-CD2 4.4Å; F396-F398 AromaticContact CE1-CD1 3.95Å; F396-F398 HydrophobicContact CE1-CD1 3.95Å; F396-F398 HydrophobicContact CZ-CD1 4.42Å; F396-F412 AromaticContact CD1-CD2 3.91Å; F396-F412 HydrophobicContact CD1-CD2 3.91Å; F396-F412 PolarHBondContact N-O 2.68Å; F396-F412 PolarHBondContact O-N 2.91Å; F396-A418 HydrophobicContact CB-CB 3.84Å; F396-L421 HydrophobicContact CD1-CD2 3.6Å; F396-L421 HydrophobicContact CD1-CG 3.84Å; F396-L421 HydrophobicContact CE1-CD2 4.11Å; F396-L421 HydrophobicContact CE1-CG 3.97Å; F396-L421 HydrophobicContact CG-CD2 4.42Å; F396-S422 VanDerWaalsContact CE2-CB 3.5Å; F396-V425 HydrophobicContact CE1-CG2 4.11Å; F396-V425 HydrophobicContact CZ-CB 4.1Å; F396-V425 HydrophobicContact CZ-CG1 4.31Å; F396-V425 HydrophobicContact CZ-CG2 4.2Å |
| 397 | A | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 157.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I337 L341 L387 A388 H410 M411 | I337-A397 HydrophobicContact CD1-CB 4.26Å; I337-A397 HydrophobicContact CG1-CB 4.27Å; I337-A397 HydrophobicContact CG2-CB 3.69Å; L341-A397 HydrophobicContact CD1-CB 4.35Å; L387-A397 WeakPolarHBondContact CA-O 3.24Å; A388-A397 PolarHBondContact N-O 2.77Å; A388-A397 PolarHBondContact O-N 2.92Å; A397-H410 WeakPolarHBondContact CA-O 3.19Å; A397-H410 VanDerWaalsContact CB-O 3.24Å; A397-H410 WeakPolarHBondContact CB-O 3.12Å; A397-M411 HydrophobicContact CB-CG 3.9Å |
| 398 | F | 96.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 149.1 | 169 | 61.3 | -100.9 | 0 | 0 | 0 | 111.2 | L365 C379 L384 F386 L387 F396 C409 H410 F412 | L365-F398 HydrophobicContact CD1-CD1 4.36Å; L365-F398 HydrophobicContact CD1-CE1 3.87Å; L365-F398 HydrophobicContact CD1-CZ 4.02Å; C379-F398 HydrophobicContact CB-CE2 3.85Å; C379-F398 HydrophobicContact CB-CZ 3.94Å; L384-F398 HydrophobicContact CD1-CD2 4.3Å; L384-F398 HydrophobicContact CD1-CE2 4.42Å; L384-F398 HydrophobicContact CD2-CB 4.49Å; L384-F398 HydrophobicContact CD2-CD2 4.34Å; L384-F398 HydrophobicContact CD2-CG 4.33Å; L384-F398 HydrophobicContact CG-CD2 4.01Å; L384-F398 HydrophobicContact CG-CG 4.43Å; F386-F398 CarbonylContact O-C 3.54Å; F386-F398 VanDerWaalsContact O-CA 3.25Å; F386-F398 WeakPolarHBondContact O-CA 3.42Å; F386-F398 WeakPolarHBondContact O-CB 3.24Å; L387-F398 HydrophobicContact CB-CB 3.8Å; F396-F398 AromaticContact CE1-CD1 3.95Å; F396-F398 HydrophobicContact CE1-CD1 3.95Å; F396-F398 HydrophobicContact CZ-CD1 4.42Å; F398-C409 CarbonylContact O-C 3.6Å; F398-C409 WeakPolarHBondContact O-CA 3.29Å; F398-H410 HydrophobicContact CD2-CB 4.27Å; F398-H410 HydrophobicContact CE1-CB 4.16Å; F398-H410 HydrophobicContact CE2-CB 3.74Å; F398-H410 AromaticContact CE2-CD2 3.87Å; F398-H410 AromaticContact CE2-CG 3.87Å; F398-H410 HydrophobicContact CZ-CB 3.68Å; F398-H410 PolarHBondContact N-O 2.92Å; F398-H410 VanDerWaalsContact N-O 3.07Å; F398-H410 PolarHBondContact O-N 3.44Å; F398-F412 AromaticContact CD1-CE2 3.88Å; F398-F412 HydrophobicContact CD1-CE2 3.88Å; F398-F412 HydrophobicContact CE1-CD2 4.48Å; F398-F412 AromaticContact CE1-CE2 3.36Å; F398-F412 HydrophobicContact CE1-CE2 3.36Å; F398-F412 AromaticContact CE1-CZ 3.72Å; F398-F412 HydrophobicContact CE1-CZ 3.72Å; F398-F412 HydrophobicContact CZ-CE2 4.09Å; F398-F412 HydrophobicContact CZ-CZ 4.13Å |
| 399 | I | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 131.8 | 174.4 | -55.7 | 176.4 | 0 | 0 | 0 | 108.1 | V328 V336 I337 L384 S385 F386 F407 C408 C409 | V328-I399 HydrophobicContact CG2-CD1 4.18Å; V328-I399 HydrophobicContact CG2-CG1 4.29Å; V328-I399 HydrophobicContact CG2-CG2 3.72Å; V336-I399 HydrophobicContact CB-CD1 4.38Å; V336-I399 HydrophobicContact CG1-CD1 4.02Å; I337-I399 HydrophobicContact CD1-CG1 4.3Å; I337-I399 HydrophobicContact CG1-CD1 4.08Å; I337-I399 HydrophobicContact CG1-CG1 3.99Å; L384-I399 WeakPolarHBondContact CA-O 3.44Å; S385-I399 PolarHBondContact N-O 2.89Å; S385-I399 WeakPolarHBondContact OG-CG2 3.26Å; S385-I399 PolarHBondContact OG-O 2.64Å; F386-I399 HydrophobicContact CB-CB 4.18Å; F386-I399 HydrophobicContact CB-CD1 4.22Å; F386-I399 HydrophobicContact CB-CG1 4.37Å; F386-I399 HydrophobicContact CD1-CD1 4.27Å; F386-I399 PolarHBondContact N-O 2.96Å; F386-I399 PolarHBondContact O-N 3.43Å; I399-F407 HydrophobicContact CG2-CB 3.81Å; I399-C408 CarbonylContact C-O 3.51Å; I399-C408 WeakPolarHBondContact CA-O 3.5Å; I399-C409 HydrophobicContact CG1-CB 4.32Å |
| 400 | M | 92.4 | Very high | 90.7 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.6 | 172.3 | 65.8 | 174.5 | -71.3 | 0 | 0 | 112.2 | C379 F383 L384 A402 F407 C408 | C379-M400 HydrophobicContact CB-SD 3.92Å; C379-M400 VanDerWaalsContact SG-SD 3.7Å; F383-M400 CarbonylContact O-C 3.49Å; F383-M400 WeakPolarHBondContact O-CA 3.12Å; L384-M400 HydrophobicContact CD1-CB 4.37Å; M400-A402 PolarHBondContact O-N 3.34Å; M400-F407 CarbonylContact O-C 3.57Å; M400-F407 VanDerWaalsContact O-CA 3.32Å; M400-F407 WeakPolarHBondContact O-CA 3.35Å; M400-C408 HydrophobicContact CG-CB 4.33Å; M400-C408 PolarHBondContact N-O 3.34Å; M400-C408 PolarHBondContact O-N 2.9Å |
| 401 | A | 86.9 | Confident | 91.1 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 116.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F383 F407 | F383-A401 PolarHBondContact O-N 3.39Å; A401-F407 HydrophobicContact CB-CD1 4.19Å; A401-F407 HydrophobicContact CB-CE1 4.25Å |
| 402 | A | 82.8 | Confident | 91.5 | Very high | 70 Ų | 70 | 32.6 Ų | 32.6 | 58% | 0.579 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -19 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M400 S406 | M400-A402 PolarHBondContact O-N 3.34Å; A402-S406 PolarHBondContact N-O 3.36Å |
| 403 | G | 78.5 | Confident | 91.8 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -176 | -175.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A405 S406 | G403-A405 PolarHBondContact O-N 2.84Å; G403-A405 VanDerWaalsContact O-N 3.07Å; G403-S406 PolarHBondContact N-O 3.17Å; G403-S406 PolarHBondContact O-N 2.88Å; G403-S406 VanDerWaalsContact O-N 3.1Å |
| 404 | P | 78.1 | Confident | 92 | Very high | 133 Ų | 133 | 26.6 Ų | 26.6 | 86% | 0.864 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 114.7 | 175.2 | -21.1 | 32.9 | 0 | 0 | 0 | 110.4 | S406 | P404-S406 PolarHBondContact O-N 3.16Å; P404-S406 VanDerWaalsContact O-N 3.12Å |
| 405 | A | 81.9 | Confident | 91.8 | Very high | 92 Ų | 92 | 28.5 Ų | 28.5 | 76% | 0.76 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 19.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G403 | G403-A405 PolarHBondContact O-N 2.84Å; G403-A405 VanDerWaalsContact O-N 3.07Å |
| 406 | S | 89.2 | Confident | 91.5 | Very high | 59 Ų | 59 | 33.2 Ų | 33.2 | 41% | 0.413 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.9 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | A402 G403 P404 | A402-S406 PolarHBondContact N-O 3.36Å; G403-S406 PolarHBondContact N-O 3.17Å; G403-S406 PolarHBondContact O-N 2.88Å; G403-S406 VanDerWaalsContact O-N 3.1Å; P404-S406 PolarHBondContact O-N 3.16Å; P404-S406 VanDerWaalsContact O-N 3.12Å |
| 407 | F | 92.6 | Very high | 91.3 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.6 | -176.5 | -49.2 | -73.6 | 0 | 0 | 0 | 110.6 | P327 V328 P331 I399 M400 A401 | P327-F407 CarbonylContact C-O 3.44Å; P327-F407 WeakPolarHBondContact CA-O 3.3Å; V328-F407 HydrophobicContact CG2-CB 3.63Å; V328-F407 PolarHBondContact N-O 3.38Å; P331-F407 HydrophobicContact CB-CD1 3.85Å; P331-F407 HydrophobicContact CB-CE1 3.56Å; P331-F407 HydrophobicContact CB-CE2 4.24Å; P331-F407 HydrophobicContact CB-CG 4.33Å; P331-F407 HydrophobicContact CB-CZ 3.76Å; P331-F407 HydrophobicContact CG-CE1 4.3Å; P331-F407 HydrophobicContact CG-CE2 4.33Å; P331-F407 HydrophobicContact CG-CZ 4Å; I399-F407 HydrophobicContact CG2-CB 3.81Å; M400-F407 CarbonylContact O-C 3.57Å; M400-F407 VanDerWaalsContact O-CA 3.32Å; M400-F407 WeakPolarHBondContact O-CA 3.35Å; A401-F407 HydrophobicContact CB-CD1 4.19Å; A401-F407 HydrophobicContact CB-CE1 4.25Å |
| 408 | C | 95.1 | Very high | 91.1 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.9 | 178.8 | -164.1 | 0 | 0 | 0 | 0 | 109.6 | N325 V326 I399 M400 | N325-C408 VanDerWaalsContact CB-SG 3.58Å; N325-C408 PolarHBondContact OD1-SG 2.94Å; V326-C408 WeakPolarHBondContact O-CA 3.41Å; I399-C408 CarbonylContact C-O 3.51Å; I399-C408 WeakPolarHBondContact CA-O 3.5Å; M400-C408 HydrophobicContact CG-CB 4.33Å; M400-C408 PolarHBondContact N-O 3.34Å; M400-C408 PolarHBondContact O-N 2.9Å |
| 409 | C | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 118.8 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | N325 V326 V328 A340 F398 I399 | N325-C409 CarbonylContact C-O 3.46Å; N325-C409 WeakPolarHBondContact CA-O 3.4Å; N325-C409 WeakPolarHBondContact CB-O 3.38Å; V326-C409 HydrophobicContact CG2-CB 4.17Å; V326-C409 PolarHBondContact N-O 3.2Å; V326-C409 PolarHBondContact O-N 3.45Å; V328-C409 HydrophobicContact CG1-CB 3.6Å; V328-C409 HydrophobicContact CG2-CB 4.36Å; A340-C409 HydrophobicContact CB-CB 4.44Å; F398-C409 CarbonylContact O-C 3.6Å; F398-C409 WeakPolarHBondContact O-CA 3.29Å; I399-C409 HydrophobicContact CG1-CB 4.32Å |
| 410 | H | 97.4 | Very high | 90.4 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 7% | 0.069 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.8 | 172.9 | -71.2 | -106.4 | 0 | 0 | 0 | 109.4 | Y322 A397 F398 F412 | Y322-H410 HydrophobicContact CE2-CB 4.43Å; Y322-H410 AromaticContact CZ-ND1 3.92Å; Y322-H410 PolarHBondContact OH-ND1 3.32Å; A397-H410 WeakPolarHBondContact CA-O 3.19Å; A397-H410 VanDerWaalsContact CB-O 3.24Å; A397-H410 WeakPolarHBondContact CB-O 3.12Å; F398-H410 HydrophobicContact CD2-CB 4.27Å; F398-H410 HydrophobicContact CE1-CB 4.16Å; F398-H410 HydrophobicContact CE2-CB 3.74Å; F398-H410 AromaticContact CE2-CD2 3.87Å; F398-H410 AromaticContact CE2-CG 3.87Å; F398-H410 HydrophobicContact CZ-CB 3.68Å; F398-H410 PolarHBondContact N-O 2.92Å; F398-H410 VanDerWaalsContact N-O 3.07Å; F398-H410 PolarHBondContact O-N 3.44Å; H410-F412 HydrophobicContact CB-CE2 3.85Å; H410-F412 HydrophobicContact CB-CZ 3.99Å |
| 411 | M | 97.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.6 | -170.7 | -66.1 | 163.1 | -69.5 | 0 | 0 | 111.6 | Y322 L323 G324 V326 A340 L341 V344 A397 | Y322-M411 WeakPolarHBondContact CD2-O 3.26Å; L323-M411 HydrophobicContact CB-CB 3.87Å; L323-M411 WeakPolarHBondContact CB-O 3.35Å; L323-M411 HydrophobicContact CD1-CB 3.99Å; L323-M411 PolarHBondContact N-O 2.9Å; G324-M411 PolarHBondContact O-N 3.25Å; G324-M411 VanDerWaalsContact O-N 3.09Å; V326-M411 HydrophobicContact CB-CE 4.33Å; V326-M411 HydrophobicContact CG1-CE 3.91Å; V326-M411 HydrophobicContact CG2-CE 3.72Å; V326-M411 HydrophobicContact CG2-SD 4.41Å; A340-M411 VanDerWaalsContact C-SD 3.53Å; A340-M411 HydrophobicContact CB-SD 3.77Å; L341-M411 HydrophobicContact CD2-CB 3.72Å; L341-M411 HydrophobicContact CD2-CG 3.66Å; L341-M411 HydrophobicContact CD2-SD 4.06Å; L341-M411 HydrophobicContact CG-CG 4.06Å; L341-M411 HydrophobicContact CG-SD 4.2Å; V344-M411 HydrophobicContact CG2-CE 3.62Å; V344-M411 HydrophobicContact CG2-SD 4.05Å; A397-M411 HydrophobicContact CB-CG 3.9Å |
| 412 | F | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 146.3 | -174.8 | -50.8 | -89.8 | 0 | 0 | 0 | 111.2 | V320 Y321 Y322 L323 V358 I367 T395 F396 F398 H410 | V320-F412 HydrophobicContact CG2-CD1 3.91Å; Y321-F412 WeakPolarHBondContact O-CA 3.46Å; Y322-F412 AromaticContact CD2-CD1 3.74Å; Y322-F412 HydrophobicContact CD2-CD1 3.74Å; Y322-F412 AromaticContact CD2-CE1 3.42Å; Y322-F412 HydrophobicContact CD2-CE1 3.42Å; Y322-F412 VanDerWaalsContact CD2-CE1 3.42Å; Y322-F412 HydrophobicContact CD2-CZ 4.08Å; Y322-F412 HydrophobicContact CE2-CD1 4.48Å; Y322-F412 AromaticContact CE2-CE1 3.86Å; Y322-F412 HydrophobicContact CE2-CE1 3.86Å; Y322-F412 HydrophobicContact CE2-CZ 4.05Å; Y322-F412 HydrophobicContact CG-CE1 4.43Å; L323-F412 VanDerWaalsContact CD1-C 3.49Å; V358-F412 HydrophobicContact CG2-CD1 3.76Å; V358-F412 HydrophobicContact CG2-CE1 3.5Å; V358-F412 VanDerWaalsContact CG2-CE1 3.5Å; V358-F412 HydrophobicContact CG2-CZ 4.23Å; I367-F412 HydrophobicContact CD1-CE1 3.8Å; I367-F412 HydrophobicContact CD1-CZ 3.6Å; I367-F412 HydrophobicContact CG1-CE1 3.95Å; I367-F412 HydrophobicContact CG1-CZ 4.02Å; I367-F412 HydrophobicContact CG2-CE1 4.14Å; T395-F412 WeakPolarHBondContact CA-O 3.42Å; F396-F412 AromaticContact CD1-CD2 3.91Å; F396-F412 HydrophobicContact CD1-CD2 3.91Å; F396-F412 PolarHBondContact N-O 2.68Å; F396-F412 PolarHBondContact O-N 2.91Å; F398-F412 AromaticContact CD1-CE2 3.88Å; F398-F412 HydrophobicContact CD1-CE2 3.88Å; F398-F412 HydrophobicContact CE1-CD2 4.48Å; F398-F412 AromaticContact CE1-CE2 3.36Å; F398-F412 HydrophobicContact CE1-CE2 3.36Å; F398-F412 AromaticContact CE1-CZ 3.72Å; F398-F412 HydrophobicContact CE1-CZ 3.72Å; F398-F412 HydrophobicContact CZ-CE2 4.09Å; F398-F412 HydrophobicContact CZ-CZ 4.13Å; H410-F412 HydrophobicContact CB-CE2 3.85Å; H410-F412 HydrophobicContact CB-CZ 3.99Å |
| 413 | W | 96.4 | Very high | 90.9 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.8 | 164.9 | -177 | -78.9 | 0 | 0 | 0 | 109.5 | V320 Y321 L323 L345 W353 D392 H394 T395 E415 | V320-W413 CarbonylContact C-O 3.54Å; V320-W413 WeakPolarHBondContact CA-O 3.23Å; V320-W413 WeakPolarHBondContact CB-O 3.22Å; Y321-W413 PolarHBondContact N-O 2.97Å; Y321-W413 PolarHBondContact O-N 2.93Å; L323-W413 HydrophobicContact CD1-CB 4.38Å; L345-W413 HydrophobicContact CD2-CE3 4.33Å; L345-W413 HydrophobicContact CD2-CZ3 4.46Å; W353-W413 HydrophobicContact CE3-CB 4.01Å; W353-W413 HydrophobicContact CE3-CD2 4.48Å; W353-W413 HydrophobicContact CE3-CG 4.09Å; W353-W413 AromaticContact CH2-CD2 3.88Å; W353-W413 HydrophobicContact CH2-CD2 3.88Å; W353-W413 AromaticContact CH2-CE3 3.63Å; W353-W413 HydrophobicContact CH2-CE3 3.63Å; W353-W413 HydrophobicContact CH2-CG 4.32Å; W353-W413 HydrophobicContact CH2-CZ3 4.13Å; W353-W413 HydrophobicContact CZ3-CB 3.82Å; W353-W413 AromaticContact CZ3-CD2 3.46Å; W353-W413 HydrophobicContact CZ3-CD2 3.46Å; W353-W413 VanDerWaalsContact CZ3-CD2 3.46Å; W353-W413 AromaticContact CZ3-CE3 3.73Å; W353-W413 HydrophobicContact CZ3-CE3 3.73Å; W353-W413 AromaticContact CZ3-CG 3.49Å; W353-W413 HydrophobicContact CZ3-CG 3.49Å; W353-W413 VanDerWaalsContact CZ3-CG 3.49Å; D392-W413 WeakPolarHBondContact OD2-CH2 3.35Å; H394-W413 HydrophobicContact CB-CD2 3.93Å; H394-W413 HydrophobicContact CB-CE3 4.22Å; H394-W413 HydrophobicContact CB-CH2 3.79Å; H394-W413 HydrophobicContact CB-CZ2 3.48Å; H394-W413 VanDerWaalsContact CB-CZ2 3.48Å; H394-W413 HydrophobicContact CB-CZ3 4.15Å; H394-W413 AromaticContact CG-CZ2 3.68Å; H394-W413 CarbonylContact O-C 3.56Å; H394-W413 WeakPolarHBondContact O-CA 3.36Å; T395-W413 HydrophobicContact CG2-CE3 3.74Å; T395-W413 HydrophobicContact CG2-CZ3 3.81Å; W413-E415 PolarHBondContact NE1-OE1 2.96Å |
| 414 | C | 94.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.7 | -172.1 | -52.3 | 0 | 0 | 0 | 0 | 110.4 | V320 H394 N417 A418 | V320-C414 HydrophobicContact CG1-CB 4.28Å; H394-C414 WeakPolarHBondContact CB-O 3.37Å; H394-C414 PolarHBondContact CD2-O 3.45Å; H394-C414 PolarHBondContact O-N 2.69Å; C414-N417 VanDerWaalsContact CB-O 3.24Å; C414-N417 WeakPolarHBondContact CB-O 3.45Å; C414-A418 HydrophobicContact CB-CB 4.34Å |
| 415 | E | 89.8 | Confident | 92.3 | Very high | 91 Ų | 91 | 36.1 Ų | 36.1 | 43% | 0.425 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -121.3 | 132.6 | 176.1 | -68.9 | -71.8 | 170.4 | 0 | 0 | 108.6 | R350 W413 | R350-E415 IonicContact CZ-OE1 2.97Å; R350-E415 IonicContact NH2-OE1 3.66Å; R350-E415 PolarHBondContact NH2-OE1 3.11Å; W413-E415 PolarHBondContact NE1-OE1 2.96Å |
| 416 | P | 89.8 | Confident | 92.5 | Very high | 101 Ų | 101 | 33.6 Ų | 33.6 | 66% | 0.656 | 19% | 0.194 | S | C | * | . | S | Bend | cis | -79.2 | -12.6 | 0.8 | 33.3 | -36.7 | 0 | 0 | 0 | 114.4 | H394 | H394-P416 PolarHBondContact CD2-O 2.9Å; H394-P416 PolarHBondContact NE2-O 2.82Å; H394-P416 VanDerWaalsContact NE2-O 3.08Å |
| 417 | N | 92.7 | Very high | 92.3 | Very high | 67 Ų | 67 | 32.4 Ų | 32.4 | 36% | 0.358 | 19% | 0.187 | S | C | . | . | trans | -164.7 | 177.1 | 172.4 | 59 | 53.5 | 0 | 0 | 0 | 110.1 | V393 C414 A419 | V393-N417 HydrophobicContact CB-CB 4.49Å; V393-N417 HydrophobicContact CG2-CB 4.44Å; C414-N417 VanDerWaalsContact CB-O 3.24Å; C414-N417 WeakPolarHBondContact CB-O 3.45Å; N417-A419 VanDerWaalsContact C-N 3.33Å; N417-A419 PolarHBondContact O-N 2.92Å; N417-A419 WeakPolarHBondContact OD1-CB 3.35Å; N417-A419 PolarHBondContact OD1-N 2.93Å | ||
| 418 | A | 92.4 | Very high | 92 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -78.8 | -5.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V389 V393 F396 C414 S420 L421 S422 | V389-A418 HydrophobicContact CG1-CB 4.01Å; V389-A418 HydrophobicContact CG2-CB 3.94Å; V393-A418 VanDerWaalsContact O-CB 3.26Å; V393-A418 WeakPolarHBondContact O-CB 3.48Å; V393-A418 PolarHBondContact O-N 2.71Å; F396-A418 HydrophobicContact CB-CB 3.84Å; C414-A418 HydrophobicContact CB-CB 4.34Å; A418-S420 PolarHBondContact O-N 2.89Å; A418-L421 PolarHBondContact O-N 3.07Å; A418-S422 VanDerWaalsContact O-CB 3.3Å; A418-S422 WeakPolarHBondContact O-CB 3.42Å; A418-S422 PolarHBondContact O-N 2.83Å; A418-S422 PolarHBondContact O-OG 3.33Å; A418-S422 VanDerWaalsContact O-OG 3.06Å |
| 419 | A | 86 | Confident | 91.5 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 41% | 0.413 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -57.3 | -54.7 | -168 | 0 | 0 | 0 | 0 | 0 | 111.9 | N417 L421 S422 E423 | N417-A419 VanDerWaalsContact C-N 3.33Å; N417-A419 PolarHBondContact O-N 2.92Å; N417-A419 WeakPolarHBondContact OD1-CB 3.35Å; N417-A419 PolarHBondContact OD1-N 2.93Å; A419-L421 PolarHBondContact O-N 2.83Å; A419-S422 PolarHBondContact O-N 2.99Å; A419-S422 PolarHBondContact O-OG 3.33Å; A419-E423 WeakPolarHBondContact O-CB 3.46Å; A419-E423 PolarHBondContact O-N 2.72Å |
| 420 | S | 90.1 | Very high | 90.8 | Very high | 71 Ų | 71 | 36 Ų | 36 | 50% | 0.497 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -40.3 | -175.6 | -50.1 | 0 | 0 | 0 | 0 | 113.3 | A418 A424 | A418-S420 PolarHBondContact O-N 2.89Å; S420-A424 WeakPolarHBondContact O-CB 3.36Å; S420-A424 PolarHBondContact O-N 3.41Å; S420-A424 VanDerWaalsContact O-N 3.11Å |
| 421 | L | 93.3 | Very high | 90 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.3 | -45 | 177.6 | 177.1 | 60 | 0 | 0 | 0 | 111 | F318 V320 V358 V360 F396 A418 A419 E423 A424 V425 | F318-L421 HydrophobicContact CB-CD1 4.13Å; F318-L421 HydrophobicContact CD1-CB 4.45Å; F318-L421 HydrophobicContact CD2-CD1 3.63Å; F318-L421 HydrophobicContact CE2-CD1 4.26Å; F318-L421 HydrophobicContact CG-CB 4.31Å; F318-L421 HydrophobicContact CG-CD1 3.93Å; V320-L421 HydrophobicContact CG1-CD2 3.85Å; V358-L421 HydrophobicContact CB-CD1 4.04Å; V358-L421 HydrophobicContact CG1-CD1 3.85Å; V358-L421 HydrophobicContact CG2-CD2 4.45Å; V360-L421 HydrophobicContact CG2-CD1 3.98Å; F396-L421 HydrophobicContact CD1-CD2 3.6Å; F396-L421 HydrophobicContact CD1-CG 3.84Å; F396-L421 HydrophobicContact CE1-CD2 4.11Å; F396-L421 HydrophobicContact CE1-CG 3.97Å; F396-L421 HydrophobicContact CG-CD2 4.42Å; A418-L421 PolarHBondContact O-N 3.07Å; A419-L421 PolarHBondContact O-N 2.83Å; L421-E423 VanDerWaalsContact C-N 3.34Å; L421-E423 PolarHBondContact O-N 3.06Å; L421-A424 PolarHBondContact O-N 3.48Å; L421-V425 HydrophobicContact CD1-CG2 3.98Å; L421-V425 HydrophobicContact CG-CG2 4.47Å; L421-V425 WeakPolarHBondContact O-CG2 3.36Å; L421-V425 PolarHBondContact O-N 3.14Å |
| 422 | S | 92.3 | Very high | 89 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 180 | 69.3 | 0 | 0 | 0 | 0 | 112 | F396 A418 A419 V425 Q426 | F396-S422 VanDerWaalsContact CE2-CB 3.5Å; A418-S422 VanDerWaalsContact O-CB 3.3Å; A418-S422 WeakPolarHBondContact O-CB 3.42Å; A418-S422 PolarHBondContact O-N 2.83Å; A418-S422 PolarHBondContact O-OG 3.33Å; A418-S422 VanDerWaalsContact O-OG 3.06Å; A419-S422 PolarHBondContact O-N 2.99Å; A419-S422 PolarHBondContact O-OG 3.33Å; S422-V425 PolarHBondContact O-N 3.19Å; S422-Q426 VanDerWaalsContact O-CB 3.24Å; S422-Q426 WeakPolarHBondContact O-CB 3.32Å; S422-Q426 PolarHBondContact O-N 3.47Å |
| 423 | E | 87.7 | Confident | 87.8 | Confident | 133 Ų | 133 | 49 Ų | 49 | 62% | 0.621 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 176.7 | -174.9 | 179.6 | -173.7 | 0 | 0 | 111.6 | A419 L421 V425 Q426 A427 | A419-E423 WeakPolarHBondContact O-CB 3.46Å; A419-E423 PolarHBondContact O-N 2.72Å; L421-E423 VanDerWaalsContact C-N 3.34Å; L421-E423 PolarHBondContact O-N 3.06Å; E423-V425 PolarHBondContact O-N 3.47Å; E423-Q426 PolarHBondContact O-N 2.94Å; E423-A427 WeakPolarHBondContact O-CB 3.3Å; E423-A427 PolarHBondContact O-N 3.12Å |
| 424 | A | 91.2 | Very high | 86.6 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F318 V360 S420 L421 A427 A428 | F318-A424 HydrophobicContact CE1-CB 4.43Å; F318-A424 HydrophobicContact CE2-CB 3.48Å; F318-A424 VanDerWaalsContact CE2-CB 3.48Å; F318-A424 HydrophobicContact CZ-CB 3.35Å; V360-A424 HydrophobicContact CB-CB 4.5Å; V360-A424 HydrophobicContact CG1-CB 4.25Å; V360-A424 HydrophobicContact CG2-CB 4.35Å; S420-A424 WeakPolarHBondContact O-CB 3.36Å; S420-A424 PolarHBondContact O-N 3.41Å; S420-A424 VanDerWaalsContact O-N 3.11Å; L421-A424 PolarHBondContact O-N 3.48Å; A424-A427 PolarHBondContact O-N 3.46Å; A424-A428 PolarHBondContact O-N 3.22Å |
| 425 | V | 94.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67 | -39.9 | 176.7 | 177 | 0 | 0 | 0 | 0 | 110.7 | V360 L365 L384 L387 F396 L421 S422 E423 A428 C429 | V360-V425 HydrophobicContact CG2-CG2 4.02Å; L365-V425 HydrophobicContact CD1-CG1 3.81Å; L365-V425 HydrophobicContact CD1-CG2 4.05Å; L365-V425 HydrophobicContact CD2-CG2 4.14Å; L384-V425 HydrophobicContact CD2-CG1 3.84Å; L387-V425 HydrophobicContact CD2-CG1 4.22Å; F396-V425 HydrophobicContact CE1-CG2 4.11Å; F396-V425 HydrophobicContact CZ-CB 4.1Å; F396-V425 HydrophobicContact CZ-CG1 4.31Å; F396-V425 HydrophobicContact CZ-CG2 4.2Å; L421-V425 HydrophobicContact CD1-CG2 3.98Å; L421-V425 HydrophobicContact CG-CG2 4.47Å; L421-V425 WeakPolarHBondContact O-CG2 3.36Å; L421-V425 PolarHBondContact O-N 3.14Å; S422-V425 PolarHBondContact O-N 3.19Å; E423-V425 PolarHBondContact O-N 3.47Å; V425-A428 PolarHBondContact O-N 3.18Å; V425-C429 PolarHBondContact O-N 2.9Å; V425-C429 PolarHBondContact O-SG 2.93Å |
| 426 | Q | 86.3 | Confident | 84.6 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61 | -48 | 174.4 | -179.8 | 177.7 | -22.2 | 0 | 0 | 111.4 | I10 S422 E423 A428 C429 M430 | I10-Q426 HydrophobicContact CD1-CG 3.88Å; S422-Q426 VanDerWaalsContact O-CB 3.24Å; S422-Q426 WeakPolarHBondContact O-CB 3.32Å; S422-Q426 PolarHBondContact O-N 3.47Å; E423-Q426 PolarHBondContact O-N 2.94Å; Q426-A428 VanDerWaalsContact C-N 3.32Å; Q426-A428 PolarHBondContact O-N 3.41Å; Q426-C429 WeakPolarHBondContact O-CB 3.27Å; Q426-C429 PolarHBondContact O-N 3.5Å; Q426-C429 VanDerWaalsContact O-N 3.11Å; Q426-M430 HydrophobicContact CG-CE 4.22Å; Q426-M430 HydrophobicContact CG-SD 4.44Å; Q426-M430 WeakPolarHBondContact O-CG 3.5Å; Q426-M430 PolarHBondContact O-N 2.84Å |
| 427 | A | 85.4 | Confident | 83.4 | Confident | 34 Ų | 34 | 55.7 Ų | 55.7 | 28% | 0.281 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E423 A424 C429 M430 L431 | E423-A427 WeakPolarHBondContact O-CB 3.3Å; E423-A427 PolarHBondContact O-N 3.12Å; A424-A427 PolarHBondContact O-N 3.46Å; A427-C429 VanDerWaalsContact C-N 3.33Å; A427-C429 PolarHBondContact O-N 2.87Å; A427-M430 PolarHBondContact O-N 2.57Å; A427-L431 WeakPolarHBondContact O-CB 3.28Å; A427-L431 WeakPolarHBondContact O-CG 3.4Å; A427-L431 PolarHBondContact O-N 2.95Å |
| 428 | A | 86.8 | Confident | 82.1 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V360 V381 A424 V425 Q426 R432 | V360-A428 HydrophobicContact CG1-CB 4.02Å; V381-A428 HydrophobicContact CG2-CB 4.32Å; A424-A428 PolarHBondContact O-N 3.22Å; V425-A428 PolarHBondContact O-N 3.18Å; Q426-A428 VanDerWaalsContact C-N 3.32Å; Q426-A428 PolarHBondContact O-N 3.41Å; A428-R432 WeakPolarHBondContact O-CB 3.41Å; A428-R432 PolarHBondContact O-N 2.76Å; A428-R432 VanDerWaalsContact O-N 3.15Å |
| 429 | C | 84.9 | Confident | 80.4 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.3 | -45 | 175.7 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | L8 V381 V425 Q426 A427 R432 Y433 | L8-C429 HydrophobicContact CD2-CB 3.68Å; V381-C429 HydrophobicContact CG1-CB 4.32Å; V425-C429 PolarHBondContact O-N 2.9Å; V425-C429 PolarHBondContact O-SG 2.93Å; Q426-C429 WeakPolarHBondContact O-CB 3.27Å; Q426-C429 PolarHBondContact O-N 3.5Å; Q426-C429 VanDerWaalsContact O-N 3.11Å; A427-C429 VanDerWaalsContact C-N 3.33Å; A427-C429 PolarHBondContact O-N 2.87Å; C429-R432 WeakPolarHBondContact O-CB 3.13Å; C429-R432 PolarHBondContact O-N 2.77Å; C429-Y433 PolarHBondContact O-N 3.46Å |
| 430 | M | 81.4 | Confident | 78.8 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 47% | 0.473 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 178.8 | -69.7 | -169.9 | -60.6 | 0 | 0 | 112.1 | Q426 A427 R432 Y433 Q434 | Q426-M430 HydrophobicContact CG-CE 4.22Å; Q426-M430 HydrophobicContact CG-SD 4.44Å; Q426-M430 WeakPolarHBondContact O-CG 3.5Å; Q426-M430 PolarHBondContact O-N 2.84Å; A427-M430 PolarHBondContact O-N 2.57Å; M430-R432 PolarHBondContact O-N 3.25Å; M430-Y433 PolarHBondContact O-N 3.39Å; M430-Y433 VanDerWaalsContact O-N 3.16Å; M430-Q434 PolarHBondContact O-N 3.09Å |
| 431 | L | 80.4 | Confident | 76.6 | Confident | 98 Ų | 98 | 63.3 Ų | 63.3 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -37.4 | 176.7 | -75.1 | 173.1 | 0 | 0 | 0 | 112 | A427 K435 | A427-L431 WeakPolarHBondContact O-CB 3.28Å; A427-L431 WeakPolarHBondContact O-CG 3.4Å; A427-L431 PolarHBondContact O-N 2.95Å; L431-K435 WeakPolarHBondContact O-CG 3.34Å; L431-K435 PolarHBondContact O-N 3.28Å; L431-K435 VanDerWaalsContact O-N 3.11Å |
| 432 | R | 76.4 | Confident | 74.2 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 175.9 | -174.6 | 177.6 | -171.1 | 93.1 | 13.4 | 111.6 | V381 R382 A428 C429 M430 K435 C436 | V381-R432 HydrophobicContact CG1-CB 4.1Å; R382-R432 VanDerWaalsContact CB-NE 3.33Å; A428-R432 WeakPolarHBondContact O-CB 3.41Å; A428-R432 PolarHBondContact O-N 2.76Å; A428-R432 VanDerWaalsContact O-N 3.15Å; C429-R432 WeakPolarHBondContact O-CB 3.13Å; C429-R432 PolarHBondContact O-N 2.77Å; M430-R432 PolarHBondContact O-N 3.25Å; R432-K435 PolarHBondContact O-N 3.3Å; R432-C436 PolarHBondContact O-N 3.35Å; R432-C436 VanDerWaalsContact O-N 3.13Å; R432-C436 PolarHBondContact O-SG 2.8Å |
| 433 | Y | 72.8 | Confident | 71.7 | Confident | 124 Ų | 124 | 74.3 Ų | 74.3 | 49% | 0.486 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 176.9 | 177.7 | -108.1 | 0 | 0 | 0 | 111.4 | C429 M430 K435 C436 L437 | C429-Y433 PolarHBondContact O-N 3.46Å; M430-Y433 PolarHBondContact O-N 3.39Å; M430-Y433 VanDerWaalsContact O-N 3.16Å; Y433-K435 VanDerWaalsContact C-N 3.35Å; Y433-K435 PolarHBondContact O-N 2.87Å; Y433-C436 WeakPolarHBondContact O-CB 3.49Å; Y433-C436 PolarHBondContact O-N 3.18Å; Y433-L437 HydrophobicContact CD1-CD1 3.94Å; Y433-L437 HydrophobicContact CD1-CG 4.37Å; Y433-L437 HydrophobicContact CE1-CD1 3.32Å; Y433-L437 HydrophobicContact CE1-CG 3.96Å; Y433-L437 HydrophobicContact CE2-CD1 4.48Å; Y433-L437 HydrophobicContact CE2-CD2 4.3Å; Y433-L437 HydrophobicContact CE2-CG 4.3Å; Y433-L437 PolarHBondContact O-N 2.87Å |
| 434 | Q | 71.3 | Confident | 69.6 | Low | 93 Ų | 93 | 72.7 Ų | 72.7 | 44% | 0.435 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57 | -47.1 | 176.5 | -172.5 | 60.1 | 48.2 | 0 | 0 | 111.6 | M430 C436 L437 D438 | M430-Q434 PolarHBondContact O-N 3.09Å; Q434-C436 VanDerWaalsContact C-N 3.25Å; Q434-C436 PolarHBondContact O-N 2.84Å; Q434-L437 PolarHBondContact O-N 3.09Å; Q434-L437 VanDerWaalsContact O-N 3.08Å; Q434-D438 PolarHBondContact NE2-OD1 3.16Å; Q434-D438 VanDerWaalsContact O-CG 3.24Å; Q434-D438 PolarHBondContact O-N 3.04Å |
| 435 | K | 71.2 | Confident | 67.3 | Low | 138 Ų | 138 | 78.1 Ų | 78.1 | 60% | 0.6 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.9 | -34.6 | 176.1 | -75.5 | 176.7 | 178.4 | 178.9 | 0 | 113.1 | L431 R432 Y433 A439 | L431-K435 WeakPolarHBondContact O-CG 3.34Å; L431-K435 PolarHBondContact O-N 3.28Å; L431-K435 VanDerWaalsContact O-N 3.11Å; R432-K435 PolarHBondContact O-N 3.3Å; Y433-K435 VanDerWaalsContact C-N 3.35Å; Y433-K435 PolarHBondContact O-N 2.87Å; K435-A439 WeakPolarHBondContact O-CB 3.42Å; K435-A439 PolarHBondContact O-N 2.97Å; K435-A439 VanDerWaalsContact O-N 3.13Å |
| 436 | C | 69.4 | Low | 64.4 | Low | 68 Ų | 68 | 81.2 Ų | 81.2 | 46% | 0.459 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71.5 | -38.1 | 175.4 | -71.8 | 0 | 0 | 0 | 0 | 112.4 | R432 Y433 Q434 R440 | R432-C436 PolarHBondContact O-N 3.35Å; R432-C436 VanDerWaalsContact O-N 3.13Å; R432-C436 PolarHBondContact O-SG 2.8Å; Y433-C436 WeakPolarHBondContact O-CB 3.49Å; Y433-C436 PolarHBondContact O-N 3.18Å; Q434-C436 VanDerWaalsContact C-N 3.25Å; Q434-C436 PolarHBondContact O-N 2.84Å; C436-R440 WeakPolarHBondContact O-CG 3.4Å; C436-R440 PolarHBondContact O-N 3.44Å |
| 437 | L | 66.3 | Low | 62 | Low | 57 Ų | 57 | 85.3 Ų | 85.3 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 174.1 | -69.3 | -176.8 | 0 | 0 | 0 | 111.8 | Y433 Q434 A439 R440 S441 | Y433-L437 HydrophobicContact CD1-CD1 3.94Å; Y433-L437 HydrophobicContact CD1-CG 4.37Å; Y433-L437 HydrophobicContact CE1-CD1 3.32Å; Y433-L437 HydrophobicContact CE1-CG 3.96Å; Y433-L437 HydrophobicContact CE2-CD1 4.48Å; Y433-L437 HydrophobicContact CE2-CD2 4.3Å; Y433-L437 HydrophobicContact CE2-CG 4.3Å; Y433-L437 PolarHBondContact O-N 2.87Å; Q434-L437 PolarHBondContact O-N 3.09Å; Q434-L437 VanDerWaalsContact O-N 3.08Å; L437-A439 VanDerWaalsContact C-N 3.32Å; L437-A439 PolarHBondContact O-N 3.06Å; L437-R440 CarbonylContact O-C 3.58Å; L437-R440 WeakPolarHBondContact O-CA 3.29Å; L437-R440 WeakPolarHBondContact O-CB 3.39Å; L437-R440 PolarHBondContact O-N 2.76Å; L437-S441 PolarHBondContact O-N 2.71Å |
| 438 | D | 64.8 | Low | 59.5 | Low | 72 Ų | 72 | 91.2 Ų | 91.2 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 179.2 | -64.3 | -22.7 | 0 | 0 | 0 | 111.8 | Q434 R440 S441 Q442 | Q434-D438 PolarHBondContact NE2-OD1 3.16Å; Q434-D438 VanDerWaalsContact O-CG 3.24Å; Q434-D438 PolarHBondContact O-N 3.04Å; D438-R440 VanDerWaalsContact C-N 3.3Å; D438-R440 PolarHBondContact O-N 2.84Å; D438-S441 WeakPolarHBondContact CA-OG 3.5Å; D438-S441 PolarHBondContact O-N 3.16Å; D438-S441 PolarHBondContact O-OG 3.17Å; D438-Q442 WeakPolarHBondContact O-CG 3.49Å; D438-Q442 PolarHBondContact O-N 3.35Å; D438-Q442 VanDerWaalsContact O-N 3.13Å |
| 439 | A | 57 | Low | 57 | Low | 57 Ų | 57 | 96.5 Ų | 96.5 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -31.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K435 L437 T443 | K435-A439 WeakPolarHBondContact O-CB 3.42Å; K435-A439 PolarHBondContact O-N 2.97Å; K435-A439 VanDerWaalsContact O-N 3.13Å; L437-A439 VanDerWaalsContact C-N 3.32Å; L437-A439 PolarHBondContact O-N 3.06Å; A439-T443 PolarHBondContact O-N 2.9Å; A439-T443 PolarHBondContact O-OG1 2.61Å |
| 440 | R | 52.3 | Low | 54.6 | Low | 161 Ų | 161 | 100.4 Ų | 100.4 | 61% | 0.608 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -77.2 | -34 | 175.7 | -79.5 | 174.5 | 66.1 | -174.9 | -1.7 | 112.8 | C436 L437 D438 T443 S444 | C436-R440 WeakPolarHBondContact O-CG 3.4Å; C436-R440 PolarHBondContact O-N 3.44Å; L437-R440 CarbonylContact O-C 3.58Å; L437-R440 WeakPolarHBondContact O-CA 3.29Å; L437-R440 WeakPolarHBondContact O-CB 3.39Å; L437-R440 PolarHBondContact O-N 2.76Å; D438-R440 VanDerWaalsContact C-N 3.3Å; D438-R440 PolarHBondContact O-N 2.84Å; R440-T443 VanDerWaalsContact CA-OG1 3.32Å; R440-T443 WeakPolarHBondContact CA-OG1 3.49Å; R440-T443 PolarHBondContact O-N 2.76Å; R440-T443 PolarHBondContact O-OG1 2.86Å; R440-S444 PolarHBondContact O-N 2.74Å |
| 441 | S | 43.7 | Very low | 52.6 | Low | 60 Ų | 60 | 101.2 Ų | 101.2 | 42% | 0.42 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.7 | -39 | 175.6 | 67.3 | 0 | 0 | 0 | 0 | 111.1 | L437 D438 T443 S444 T445 | L437-S441 PolarHBondContact O-N 2.71Å; D438-S441 WeakPolarHBondContact CA-OG 3.5Å; D438-S441 PolarHBondContact O-N 3.16Å; D438-S441 PolarHBondContact O-OG 3.17Å; S441-T443 VanDerWaalsContact C-N 3.27Å; S441-T443 PolarHBondContact O-N 2.98Å; S441-S444 PolarHBondContact O-N 3.39Å; S441-S444 VanDerWaalsContact O-N 3.12Å; S441-S444 PolarHBondContact O-OG 2.75Å; S441-T445 PolarHBondContact O-OG1 2.95Å |
| 442 | Q | 41.7 | Very low | 50.3 | Low | 147 Ų | 147 | 102.5 Ų | 102.5 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.9 | -26.4 | 174.2 | -72.1 | -170.4 | 2 | 0 | 0 | 114.2 | D438 | D438-Q442 WeakPolarHBondContact O-CG 3.49Å; D438-Q442 PolarHBondContact O-N 3.35Å; D438-Q442 VanDerWaalsContact O-N 3.13Å |
| 443 | T | 40.8 | Very low | 48.4 | Very low | 96 Ų | 96 | 104 Ų | 104 | 59% | 0.589 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -84 | -12.4 | 175.4 | 38.6 | 0 | 0 | 0 | 0 | 113.3 | A439 R440 S441 | A439-T443 PolarHBondContact O-N 2.9Å; A439-T443 PolarHBondContact O-OG1 2.61Å; R440-T443 VanDerWaalsContact CA-OG1 3.32Å; R440-T443 WeakPolarHBondContact CA-OG1 3.49Å; R440-T443 PolarHBondContact O-N 2.76Å; R440-T443 PolarHBondContact O-OG1 2.86Å; S441-T443 VanDerWaalsContact C-N 3.27Å; S441-T443 PolarHBondContact O-N 2.98Å |
| 444 | S | 43.7 | Very low | 46.6 | Very low | 98 Ų | 98 | 107 Ų | 107 | 69% | 0.685 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -86.9 | -12.4 | 175.9 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | R440 S441 | R440-S444 PolarHBondContact O-N 2.74Å; S441-S444 PolarHBondContact O-N 3.39Å; S441-S444 VanDerWaalsContact O-N 3.12Å; S441-S444 PolarHBondContact O-OG 2.75Å |
| 445 | T | 41.6 | Very low | 44.6 | Very low | 119 Ų | 119 | 107.8 Ų | 107.8 | 73% | 0.73 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -112.9 | 2.9 | 176.7 | 33 | 0 | 0 | 0 | 0 | 114.5 | S441 | S441-T445 PolarHBondContact O-OG1 2.95Š|
| 446 | S | 33.9 | Very low | 42.9 | Very low | 66 Ų | 66 | 108.4 Ų | 108.4 | 46% | 0.462 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -96.9 | 114.3 | 173 | 67.3 | 0 | 0 | 0 | 0 | 111.1 | L448 | S446-L448 PolarHBondContact O-N 3.2Å; S446-L448 VanDerWaalsContact O-N 3.15Å |
| 447 | C | 36.4 | Very low | 41.1 | Very low | 123 Ų | 123 | 110 Ų | 110 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | trans | -42.8 | 115.2 | 168.5 | -30.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 448 | L | 32.4 | Very low | 39.8 | Very low | 158 Ų | 158 | 118.6 Ų | 118.6 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 133.2 | 167.5 | -65.5 | 173.8 | 0 | 0 | 0 | 108.7 | S446 A450 | S446-L448 PolarHBondContact O-N 3.2Å; S446-L448 VanDerWaalsContact O-N 3.15Å; L448-A450 PolarHBondContact O-N 3.37Å |
| 449 | P | 34.9 | Very low | 38.4 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 133.7 | 158.8 | -12.4 | 26.4 | 0 | 0 | 0 | 108.1 | ||
| 450 | A | 34 | Very low | 37.4 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 137.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L448 | L448-A450 PolarHBondContact O-N 3.37Š|
| 451 | P | 39.3 | Very low | 36.4 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 147.5 | 172.4 | 27.1 | -32 | 0 | 0 | 0 | 109.7 | A453 | P451-A453 PolarHBondContact O-N 3.42Š|
| 452 | P | 33.2 | Very low | 35.6 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 136.5 | 178.3 | 25.5 | -31.1 | 0 | 0 | 0 | 109.8 | E454 | P452-E454 PolarHBondContact O-N 3.46Š|
| 453 | A | 36.7 | Very low | 35.2 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -69.4 | 110.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P451 | P451-A453 PolarHBondContact O-N 3.42Š| ||
| 454 | E | 33.4 | Very low | 34.7 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -169.1 | 145.8 | 141.5 | -108 | 172.6 | -162.5 | 0 | 0 | 111.4 | P452 | P452-E454 PolarHBondContact O-N 3.46Š| ||
| 455 | S | 29.7 | Very low | 34.2 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 88.2 | 75 | 169.6 | -56.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 456 | V | 36.6 | Very low | 33.8 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 92% | 0.915 | 81% | 0.812 | S | S | * | * | trans | 29.8 | 93 | 130.8 | -164.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 457 | A | 31.1 | Very low | 33.5 | Very low | 101 Ų | 101 | 148.1 Ų | 148.1 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -162 | 106.5 | 137.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 458 | R | 38.9 | Very low | 33.3 | Very low | 237 Ų | 237 | 149.3 Ų | 149.3 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | trans | -102.5 | 156.9 | 174.4 | -94.4 | -168 | -177.9 | 112.6 | -2.1 | 111 | ||||
| 459 | R | 36 | Very low | 33.3 | Very low | 235 Ų | 235 | 150.6 Ų | 150.6 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | 94.6 | 109.3 | 148.7 | -137.3 | -179 | -62.1 | -135.3 | 4.2 | 112.5 | ||||
| 460 | V | 35.3 | Very low | 33.3 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | -147.5 | 139 | 68.9 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 461 | G | 30.6 | Very low | 33.3 | Very low | 69 Ų | 69 | 153.8 Ų | 153.8 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | cis | 150 | 92 | 18.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 462 | W | 27.9 | Very low | 33 | Very low | 231 Ų | 231 | 160.6 Ų | 160.6 | 88% | 0.875 | 85% | 0.848 | S | S | * | * | trans | -80.3 | 120.6 | -175.3 | -178.3 | -48.7 | 0 | 0 | 0 | 110.8 | ||||
| 463 | T | 31.8 | Very low | 32.8 | Very low | 130 Ų | 130 | 158.3 Ų | 158.3 | 80% | 0.798 | 85% | 0.848 | S | S | * | * | trans | -144.9 | 109.9 | 160 | 40.4 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 464 | V | 31 | Very low | 32.6 | Very low | 126 Ų | 126 | 158.9 Ų | 158.9 | 76% | 0.764 | 85% | 0.846 | S | S | * | * | -167.4 | 118.5 | 87.1 | 161.4 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 465 | R | 32.8 | Very low | 32.5 | Very low | 230 Ų | 230 | 157.9 Ų | 157.9 | 87% | 0.868 | 85% | 0.846 | S | S | * | * | trans | -155 | 135.4 | 147.3 | -83 | -155 | 176.7 | -169.7 | -3 | 110.3 | ||||
| 466 | R | 34.6 | Very low | 32.7 | Very low | 252 Ų | 252 | 161.7 Ų | 161.7 | 95% | 0.951 | 85% | 0.848 | S | S | * | * | trans | 79.8 | 105.4 | 164.4 | -73.1 | -175.3 | -179.2 | -175.6 | 0.6 | 118.6 | ||||
| 467 | G | 28.1 | Very low | 32.8 | Very low | 74 Ų | 74 | 160.4 Ų | 160.4 | 76% | 0.763 | 84% | 0.843 | S | S | * | * | trans | -151.6 | 104.5 | 144.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 468 | V | 30.9 | Very low | 32.7 | Very low | 148 Ų | 148 | 163.5 Ų | 163.5 | 90% | 0.897 | 84% | 0.837 | S | S | * | * | trans | -175.1 | 93.1 | 141.9 | 167.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 469 | Q | 33.3 | Very low | 32.5 | Very low | 184 Ų | 184 | 162 Ų | 162 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -147.8 | 128.6 | 149.4 | -103.1 | -178.8 | -2.6 | 0 | 0 | 107.7 | ||||
| 470 | S | 35 | Very low | 32.2 | Very low | 115 Ų | 115 | 158 Ų | 158 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 64.4 | 103 | 158.3 | 57.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 471 | L | 32.3 | Very low | 31.9 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -37.8 | 130.8 | 140.2 | -75.7 | 141.1 | 0 | 0 | 0 | 113.7 | ||||
| 472 | W | 34.7 | Very low | 32.1 | Very low | 257 Ų | 257 | 156.5 Ų | 156.5 | 97% | 0.973 | 83% | 0.825 | S | S | * | * | 172.7 | 143.7 | 123.6 | -97.6 | 2.9 | 0 | 0 | 0 | 112 | |||||
| 473 | G | 29.4 | Very low | 32.5 | Very low | 77 Ų | 77 | 153.6 Ų | 153.6 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 109.8 | 81.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 474 | S | 30.6 | Very low | 32.6 | Very low | 111 Ų | 111 | 153 Ų | 153 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -54.8 | 142.5 | 156.6 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 475 | L | 32 | Very low | 33.6 | Very low | 165 Ų | 165 | 156.3 Ų | 156.3 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | 172.2 | 114.7 | 127 | -87.3 | 161.6 | 0 | 0 | 0 | 110.9 | |||||
| 476 | K | 35 | Very low | 33.6 | Very low | 192 Ų | 192 | 152.7 Ų | 152.7 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -85 | 155 | 157.2 | -71 | -177.8 | 174.7 | 175.6 | 0 | 108.5 | ||||
| 477 | P | 38.2 | Very low | 33.6 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 80% | 0.799 | 84% | 0.835 | S | S | * | * | -142.7 | 137.5 | 87.8 | 24.6 | -2.7 | 0 | 0 | 0 | 113.3 | |||||
| 478 | K | 28.8 | Very low | 33.9 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | 86.5 | 119.8 | 78 | -123.8 | -161.4 | -176.2 | 168.4 | 0 | 115 | |||||
| 479 | R | 33.7 | Very low | 34.1 | Very low | 206 Ų | 206 | 151.7 Ų | 151.7 | 78% | 0.777 | 84% | 0.836 | S | S | * | * | trans | 74.6 | 151.7 | 149.7 | -66.7 | -172.9 | 175.7 | -172.4 | 2.8 | 117.8 | ||||
| 480 | L | 29.6 | Very low | 34.1 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 80% | 0.796 | 83% | 0.834 | S | S | * | * | cis | -161.9 | 156.8 | -4.9 | -144 | 80.9 | 0 | 0 | 0 | 106.2 | ||||
| 481 | G | 30.7 | Very low | 34.1 | Very low | 82 Ų | 82 | 152 Ų | 152 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | trans | 167.4 | 79.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 482 | S | 34.5 | Very low | 34.2 | Very low | 104 Ų | 104 | 151.4 Ų | 151.4 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | trans | -103.3 | 151.1 | 168.5 | 54 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 483 | Q | 35.8 | Very low | 34.1 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 139 | 98.5 | 146.3 | -77.2 | -138 | 7.5 | 0 | 0 | 111.3 | ||||
| 484 | T | 33.2 | Very low | 34.5 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 72% | 0.718 | 83% | 0.828 | S | S | * | * | 97.8 | 159.8 | 82 | 36.3 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 485 | P | 52.6 | Low | 34.9 | Very low | 197 Ų | 197 | 152.2 Ų | 152.2 | 100% | 1.279 | 83% | 0.832 | S | S | * | * | cis | -103.1 | 0 | 15.1 | 25.3 | -6.6 | 0 | 0 | 0 | 116.9 |
Retrieved 485 of 485 residues in 204.9 ms
(Link to these results)