| 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 | 42 | Very low | 37.3 | Very low | 244 Ų | 244 | 139.5 Ų | 139.5 | 100% | 1.202 | 84% | 0.835 | S | S | * | * | 0 | 80.1 | 0 | -70 | 162.8 | 166.5 | 0 | 0 | 105.9 | |||||
| 2 | N | 33.5 | Very low | 37.6 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | 43 | 143.7 | 76.8 | -145.8 | 22.9 | 0 | 0 | 0 | 115.7 | |||||
| 3 | V | 37.5 | Very low | 37.8 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 79% | 0.788 | 83% | 0.829 | S | S | * | * | trans | 94.1 | 108.3 | 174.6 | -155.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 4 | G | 30.7 | Very low | 37.9 | Very low | 64 Ų | 64 | 136.9 Ų | 136.9 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | cis | 103.3 | 90.1 | 13.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 5 | V | 44.7 | Very low | 38.3 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | trans | -154.5 | 125.5 | 155.2 | -156.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 6 | P | 38.3 | Very low | 38.4 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 66% | 0.662 | 82% | 0.824 | S | S | * | * | trans | -116.6 | 161.5 | 174.1 | 40.5 | -30 | 0 | 0 | 0 | 114.5 | ||||
| 7 | F | 35.9 | Very low | 38.1 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 83% | 0.829 | 83% | 0.829 | S | S | * | * | trans | 70.7 | 149.4 | 159.3 | -73.1 | -62.4 | 0 | 0 | 0 | 118.3 | ||||
| 8 | P | 40.1 | Very low | 38.1 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | -143.1 | 168.7 | 51.1 | 36.5 | -13.4 | 0 | 0 | 0 | 119.4 | |||||
| 9 | T | 35.8 | Very low | 38.3 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -48.8 | 141.8 | 173.5 | 46.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 10 | G | 37 | Very low | 38.6 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -150.9 | 118.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 11 | N | 35 | Very low | 39.2 | Very low | 174 Ų | 174 | 144 Ų | 144 | 93% | 0.93 | 83% | 0.831 | S | S | * | * | trans | -49.7 | 135.8 | 179.5 | -88.6 | -20 | 0 | 0 | 0 | 114.2 | ||||
| 12 | A | 40.9 | Very low | 39.9 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -134 | 98.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 13 | N | 40.7 | Very low | 41 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | 5.7 | 121.5 | 155 | -65.8 | -25.5 | 0 | 0 | 0 | 118.7 | V15 | N13-V15 PolarHBondContact O-N 2.85Š| ||
| 14 | T | 39 | Very low | 42 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -42.1 | 120.4 | 153.2 | 47 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 15 | V | 43 | Very low | 43.3 | Very low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -88.3 | 125.9 | 166 | 177.1 | 0 | 0 | 0 | 0 | 107.5 | N13 E17 | N13-V15 PolarHBondContact O-N 2.85Å; V15-E17 PolarHBondContact O-N 3.31Å | ||
| 16 | P | 40.4 | Very low | 43.7 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -73.3 | 120.1 | 178.2 | 28.7 | -30.7 | 0 | 0 | 0 | 110.1 | N18 | P16-N18 PolarHBondContact O-N 2.84Š| ||
| 17 | E | 33.6 | Very low | 44.5 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -72.7 | 97.8 | 170.7 | -174.6 | 179 | -174.4 | 0 | 0 | 109 | V15 | V15-E17 PolarHBondContact O-N 3.31Š| ||
| 18 | N | 37 | Very low | 45.4 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -153.6 | 147.1 | 164.6 | -125.7 | -14.8 | 0 | 0 | 0 | 109.5 | P16 | P16-N18 PolarHBondContact O-N 2.84Š| ||
| 19 | D | 43.2 | Very low | 46.2 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | trans | 102 | 43.8 | 176.8 | -52.7 | -17.3 | 0 | 0 | 0 | 117.5 | ||||
| 20 | N | 44 | Very low | 47.2 | Very low | 175 Ų | 175 | 123.7 Ų | 123.7 | 94% | 0.936 | 73% | 0.726 | S | S | * | * | trans | -107.1 | 44.2 | 157.2 | -91.1 | -30 | 0 | 0 | 0 | 111.9 | ||||
| 21 | K | 51.9 | Low | 48 | Very low | 192 Ų | 192 | 123.1 Ų | 123.1 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 121.1 | 170.7 | -154.4 | 167.6 | -171.7 | 172.6 | 0 | 108.8 | L23 | K21-L23 PolarHBondContact O-N 3.31Š|
| 22 | P | 55.1 | Low | 49.1 | Very low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 131.1 | 178.9 | 23.2 | -31.6 | 0 | 0 | 0 | 109.6 | ||
| 23 | L | 56.9 | Low | 50.3 | Low | 126 Ų | 126 | 119.9 Ų | 119.9 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 138.7 | 174.9 | -69.3 | 169.7 | 0 | 0 | 0 | 109.1 | K21 | K21-L23 PolarHBondContact O-N 3.31Š|
| 24 | P | 59.1 | Low | 51.6 | Low | 77 Ų | 77 | 119.9 Ų | 119.9 | 50% | 0.5 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 145.2 | 178 | 24.4 | -32.9 | 0 | 0 | 0 | 109.8 | V26 | P24-V26 WeakPolarHBondContact O-CG2 3.35Å; P24-V26 PolarHBondContact O-N 3.17Å |
| 25 | P | 57.2 | Low | 52.9 | Low | 132 Ų | 132 | 119.4 Ų | 119.4 | 86% | 0.857 | 65% | 0.65 | S | S | * | * | trans | -60.7 | 108.1 | -180 | 24.5 | -32.6 | 0 | 0 | 0 | 109.4 | A27 | P25-A27 PolarHBondContact O-N 3.06Š| ||
| 26 | V | 54.5 | Low | 54.4 | Low | 59 Ų | 59 | 117.1 Ų | 117.1 | 36% | 0.358 | 63% | 0.633 | S | S | . | * | trans | -87.2 | 100.2 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | P24 I28 K187 L194 | P24-V26 WeakPolarHBondContact O-CG2 3.35Å; P24-V26 PolarHBondContact O-N 3.17Å; V26-I28 PolarHBondContact O-N 2.71Å; V26-K187 HydrophobicContact CG1-CD 3.56Å; V26-K187 VanDerWaalsContact CG1-CE 3.41Å; V26-K187 HydrophobicContact CG1-CG 4.5Å; V26-L194 HydrophobicContact CB-CD1 4.48Å; V26-L194 HydrophobicContact CG1-CD1 4.4Å; V26-L194 HydrophobicContact CG2-CD1 4.31Å | ||
| 27 | A | 53.2 | Low | 56.1 | Low | 74 Ų | 74 | 119 Ų | 119 | 61% | 0.612 | 63% | 0.626 | S | S | * | * | trans | -68.1 | 123.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | P25 K187 | P25-A27 PolarHBondContact O-N 3.06Å; A27-K187 PolarHBondContact O-NZ 3.3Å | ||
| 28 | I | 56.4 | Low | 58.2 | Low | 53 Ų | 53 | 112.4 Ų | 112.4 | 27% | 0.272 | 60% | 0.596 | S | S | . | * | trans | -92.1 | 103.8 | 165.6 | -57.4 | 176.6 | 0 | 0 | 0 | 103.9 | V26 D196 | V26-I28 PolarHBondContact O-N 2.71Å; I28-D196 HydrophobicContact CD1-CB 3.95Å; I28-D196 HydrophobicContact CG2-CB 4.5Å | ||
| 29 | E | 57.2 | Low | 60.3 | Low | 124 Ų | 124 | 110.3 Ų | 110.3 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 145.2 | 176.8 | -72.9 | -176.7 | 151 | 0 | 0 | 109.5 | R185 | E29-R185 VanDerWaalsContact O-CZ 3.26Å; E29-R185 PolarHBondContact O-NH1 3.09Å; E29-R185 PolarHBondContact O-NH2 3.36Å |
| 30 | S | 54.9 | Low | 61.9 | Low | 97 Ų | 97 | 105.8 Ų | 105.8 | 68% | 0.678 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 153 | 173.3 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | N32 | S30-N32 PolarHBondContact O-N 3.04Š|
| 31 | T | 55.4 | Low | 63.3 | Low | 67 Ų | 67 | 105.9 Ų | 105.9 | 41% | 0.411 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 141.4 | 171.3 | 18.4 | 0 | 0 | 0 | 0 | 108.2 | E33 | T31-E33 PolarHBondContact O-N 2.75Å; T31-E33 PolarHBondContact OG1-OE2 3.23Å |
| 32 | N | 57 | Low | 64.5 | Low | 88 Ų | 88 | 105.1 Ų | 105.1 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | trans | -71.6 | 70 | 162.9 | -119.1 | 10.2 | 0 | 0 | 0 | 106.5 | S30 P50 L51 | S30-N32 PolarHBondContact O-N 3.04Å; N32-P50 HydrophobicContact CB-CB 3.62Å; N32-P50 WeakPolarHBondContact O-CB 3.36Å; N32-P50 VanDerWaalsContact O-CG 3.24Å; N32-P50 WeakPolarHBondContact O-CG 3.29Å; N32-L51 PolarHBondContact ND2-O 2.84Å | ||
| 33 | E | 66.1 | Low | 65.3 | Low | 116 Ų | 116 | 102 Ų | 102 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | trans | -92.8 | 157.3 | 176.7 | 64 | -164.4 | -171 | 0 | 0 | 109.7 | T31 Q35 | T31-E33 PolarHBondContact O-N 2.75Å; T31-E33 PolarHBondContact OG1-OE2 3.23Å; E33-Q35 PolarHBondContact O-N 3.28Å | ||
| 34 | W | 68.3 | Low | 66 | Low | 145 Ų | 145 | 102.2 Ų | 102.2 | 55% | 0.549 | 55% | 0.545 | S | S | . | . | trans | -61.4 | 107.8 | 172.8 | -74.4 | 89.8 | 0 | 0 | 0 | 108.8 | Y47 L48 Q49 | W34-Y47 HydrophobicContact CB-CD1 4.06Å; W34-Y47 HydrophobicContact CB-CG 4.21Å; W34-Y47 VanDerWaalsContact CE3-CB 3.49Å; W34-L48 WeakPolarHBondContact CA-O 3.12Å; W34-Q49 VanDerWaalsContact CE3-CA 3.48Å; W34-Q49 HydrophobicContact CE3-CB 4.18Å; W34-Q49 HydrophobicContact CH2-CB 3.67Å; W34-Q49 HydrophobicContact CH2-CG 3.66Å; W34-Q49 HydrophobicContact CZ2-CB 4.34Å; W34-Q49 HydrophobicContact CZ2-CG 3.93Å; W34-Q49 HydrophobicContact CZ3-CB 3.57Å; W34-Q49 HydrophobicContact CZ3-CG 4.08Å | ||
| 35 | Q | 66.2 | Low | 67.1 | Low | 128 Ų | 128 | 102.4 Ų | 102.4 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 138.2 | 176.9 | -65.5 | -173.6 | -44.1 | 0 | 0 | 108.8 | E33 Y37 Y47 L48 | E33-Q35 PolarHBondContact O-N 3.28Å; Q35-Y37 PolarHBondContact O-N 3.03Å; Q35-Y47 CarbonylContact O-C 3.59Å; Q35-Y47 VanDerWaalsContact O-CA 3.31Å; Q35-Y47 WeakPolarHBondContact O-CA 3.46Å; Q35-L48 HydrophobicContact CB-CB 4.3Å; Q35-L48 HydrophobicContact CB-CD1 4.45Å; Q35-L48 PolarHBondContact N-O 3.47Å; Q35-L48 PolarHBondContact O-N 3.41Å |
| 36 | I | 73.9 | Confident | 68 | Low | 84 Ų | 84 | 102.6 Ų | 102.6 | 43% | 0.431 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 119.9 | 174.8 | -59.3 | 170.3 | 0 | 0 | 0 | 108 | I39 R46 Y47 | I36-I39 HydrophobicContact CG2-CG1 3.87Å; I36-R46 CarbonylContact C-O 3.41Å; I36-Y47 HydrophobicContact CG1-CD1 3.95Å; I36-Y47 HydrophobicContact CG1-CE1 3.75Å |
| 37 | Y | 77.2 | Confident | 69.2 | Low | 158 Ų | 158 | 105.4 Ų | 105.4 | 62% | 0.62 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -55.7 | 175.3 | -177.1 | -107.2 | 0 | 0 | 0 | 110.3 | Q35 R46 L48 | Q35-Y37 PolarHBondContact O-N 3.03Å; Y37-R46 WeakPolarHBondContact CB-O 3.33Å; Y37-R46 PolarHBondContact N-O 3.38Å; Y37-L48 HydrophobicContact CD2-CD1 3.83Å; Y37-L48 HydrophobicContact CD2-CD2 3.96Å; Y37-L48 HydrophobicContact CD2-CG 3.76Å; Y37-L48 HydrophobicContact CG-CG 4.32Å |
| 38 | D | 78.3 | Confident | 70.3 | Confident | 54 Ų | 54 | 105.7 Ų | 105.7 | 29% | 0.289 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 162.5 | 175.8 | 64.7 | -1.3 | 0 | 0 | 0 | 110.5 | R46 | D38-R46 PolarHBondContact O-N 2.96Å; D38-R46 WeakPolarHBondContact OD1-CB 3.46Å; D38-R46 WeakPolarHBondContact OD1-CD 3.16Å; D38-R46 WeakPolarHBondContact OD1-CG 3.43Å |
| 39 | I | 81 | Confident | 71.3 | Confident | 106 Ų | 106 | 110 Ų | 110 | 54% | 0.544 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115.2 | 172 | -53.8 | 177.7 | 0 | 0 | 0 | 105.9 | I36 E45 | I36-I39 HydrophobicContact CG2-CG1 3.87Å; I39-E45 HydrophobicContact CG1-CG 4.35Å |
| 40 | L | 75.8 | Confident | 72 | Confident | 52 Ų | 52 | 105.6 Ų | 105.6 | 27% | 0.272 | 52% | 0.52 | S | S | . | . | trans | -65 | 159.4 | -179.9 | -66.8 | 167.7 | 0 | 0 | 0 | 110.6 | H42 G43 Q44 R46 | L40-H42 PolarHBondContact O-N 3.47Å; L40-G43 WeakPolarHBondContact O-CA 3.23Å; L40-G43 PolarHBondContact O-N 3.48Å; L40-Q44 HydrophobicContact CB-CB 4.49Å; L40-Q44 WeakPolarHBondContact CB-O 3.27Å; L40-Q44 HydrophobicContact CD1-CB 4.16Å; L40-Q44 HydrophobicContact CD1-CG 4.45Å; L40-Q44 PolarHBondContact N-O 2.92Å; L40-R46 HydrophobicContact CD1-CG 4.34Å | ||
| 41 | L | 72.9 | Confident | 72.7 | Confident | 176 Ų | 176 | 103.6 Ų | 103.6 | 92% | 0.921 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -19.1 | 178.1 | -167.1 | 65.2 | 0 | 0 | 0 | 113 | G43 | L41-G43 VanDerWaalsContact C-N 3.32Š|
| 42 | H | 77.7 | Confident | 73.8 | Confident | 176 Ų | 176 | 105.9 Ų | 105.9 | 82% | 0.815 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 4.7 | 173.8 | -52.2 | -47.9 | 0 | 0 | 0 | 113.9 | L40 Q44 | L40-H42 PolarHBondContact O-N 3.47Å; H42-Q44 VanDerWaalsContact C-N 3.27Å; H42-Q44 PolarHBondContact O-N 3.24Å |
| 43 | G | 71.9 | Confident | 74.7 | Confident | 51 Ų | 51 | 109.3 Ų | 109.3 | 53% | 0.526 | 52% | 0.522 | S | S | . | . | S | Bend | trans | 78.3 | 4.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L40 L41 E45 | L40-G43 WeakPolarHBondContact O-CA 3.23Å; L40-G43 PolarHBondContact O-N 3.48Å; L41-G43 VanDerWaalsContact C-N 3.32Å; G43-E45 PolarHBondContact O-N 3.15Å |
| 44 | Q | 72.1 | Confident | 75.4 | Confident | 130 Ų | 130 | 107.7 Ų | 107.7 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 121.6 | 177.8 | -176.6 | 175.7 | -19.2 | 0 | 0 | 110.4 | L40 H42 | L40-Q44 HydrophobicContact CB-CB 4.49Å; L40-Q44 WeakPolarHBondContact CB-O 3.27Å; L40-Q44 HydrophobicContact CD1-CB 4.16Å; L40-Q44 HydrophobicContact CD1-CG 4.45Å; L40-Q44 PolarHBondContact N-O 2.92Å; H42-Q44 VanDerWaalsContact C-N 3.27Å; H42-Q44 PolarHBondContact O-N 3.24Å |
| 45 | E | 82.4 | Confident | 76.1 | Confident | 80 Ų | 80 | 104.7 Ų | 104.7 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 128.6 | 177.3 | -57.3 | -177.8 | 173.2 | 0 | 0 | 110 | I39 G43 Y47 | I39-E45 HydrophobicContact CG1-CG 4.35Å; G43-E45 PolarHBondContact O-N 3.15Å; E45-Y47 HydrophobicContact CB-CE1 4.22Å; E45-Y47 HydrophobicContact CB-CE2 4.01Å; E45-Y47 WeakPolarHBondContact OE2-CE1 3.36Å; E45-Y47 PolarHBondContact OE2-OH 3.07Å |
| 46 | R | 76.3 | Confident | 76.7 | Confident | 137 Ų | 137 | 100.4 Ų | 100.4 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 139.4 | 163.3 | -64 | -180 | 155.5 | 158.9 | -4.8 | 108.9 | I36 Y37 D38 L40 | I36-R46 CarbonylContact C-O 3.41Å; Y37-R46 WeakPolarHBondContact CB-O 3.33Å; Y37-R46 PolarHBondContact N-O 3.38Å; D38-R46 PolarHBondContact O-N 2.96Å; D38-R46 WeakPolarHBondContact OD1-CB 3.46Å; D38-R46 WeakPolarHBondContact OD1-CD 3.16Å; D38-R46 WeakPolarHBondContact OD1-CG 3.43Å; L40-R46 HydrophobicContact CD1-CG 4.34Å |
| 47 | Y | 78.7 | Confident | 77.1 | Confident | 117 Ų | 117 | 99.2 Ų | 99.2 | 46% | 0.459 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.3 | -176.9 | -56.3 | -86.1 | 0 | 0 | 0 | 112.2 | W34 Q35 I36 E45 | W34-Y47 HydrophobicContact CB-CD1 4.06Å; W34-Y47 HydrophobicContact CB-CG 4.21Å; W34-Y47 VanDerWaalsContact CE3-CB 3.49Å; Q35-Y47 CarbonylContact O-C 3.59Å; Q35-Y47 VanDerWaalsContact O-CA 3.31Å; Q35-Y47 WeakPolarHBondContact O-CA 3.46Å; I36-Y47 HydrophobicContact CG1-CD1 3.95Å; I36-Y47 HydrophobicContact CG1-CE1 3.75Å; E45-Y47 HydrophobicContact CB-CE1 4.22Å; E45-Y47 HydrophobicContact CB-CE2 4.01Å; E45-Y47 WeakPolarHBondContact OE2-CE1 3.36Å; E45-Y47 PolarHBondContact OE2-OH 3.07Å |
| 48 | L | 76.3 | Confident | 77.4 | Confident | 80 Ų | 80 | 93.5 Ų | 93.5 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.3 | 165 | -81.6 | 157.3 | 0 | 0 | 0 | 109.3 | W34 Q35 Y37 | W34-L48 WeakPolarHBondContact CA-O 3.12Å; Q35-L48 HydrophobicContact CB-CB 4.3Å; Q35-L48 HydrophobicContact CB-CD1 4.45Å; Q35-L48 PolarHBondContact N-O 3.47Å; Q35-L48 PolarHBondContact O-N 3.41Å; Y37-L48 HydrophobicContact CD2-CD1 3.83Å; Y37-L48 HydrophobicContact CD2-CD2 3.96Å; Y37-L48 HydrophobicContact CD2-CG 3.76Å; Y37-L48 HydrophobicContact CG-CG 4.32Å |
| 49 | Q | 77.7 | Confident | 77.6 | Confident | 145 Ų | 145 | 96.6 Ų | 96.6 | 68% | 0.678 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 130.4 | 173.5 | -171 | 176.5 | 8.6 | 0 | 0 | 109.8 | W34 | W34-Q49 VanDerWaalsContact CE3-CA 3.48Å; W34-Q49 HydrophobicContact CE3-CB 4.18Å; W34-Q49 HydrophobicContact CH2-CB 3.67Å; W34-Q49 HydrophobicContact CH2-CG 3.66Å; W34-Q49 HydrophobicContact CZ2-CB 4.34Å; W34-Q49 HydrophobicContact CZ2-CG 3.93Å; W34-Q49 HydrophobicContact CZ3-CB 3.57Å; W34-Q49 HydrophobicContact CZ3-CG 4.08Å |
| 50 | P | 71.5 | Confident | 77.7 | Confident | 31 Ų | 31 | 95.2 Ų | 95.2 | 20% | 0.201 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 145 | 172.5 | 24.7 | -32.1 | 0 | 0 | 0 | 110.6 | N32 N52 | N32-P50 HydrophobicContact CB-CB 3.62Å; N32-P50 WeakPolarHBondContact O-CB 3.36Å; N32-P50 VanDerWaalsContact O-CG 3.24Å; N32-P50 WeakPolarHBondContact O-CG 3.29Å; P50-N52 PolarHBondContact O-N 3.38Å |
| 51 | L | 70.5 | Confident | 78 | Confident | 55 Ų | 55 | 95.9 Ų | 95.9 | 29% | 0.288 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 139.6 | 177.9 | -106.5 | 71.4 | 0 | 0 | 0 | 110.7 | N32 D55 | N32-L51 PolarHBondContact ND2-O 2.84Å; L51-D55 HydrophobicContact CB-CB 4.11Å; L51-D55 HydrophobicContact CD2-CB 3.53Å; L51-D55 HydrophobicContact CG-CB 3.65Å |
| 52 | N | 78.7 | Confident | 78.4 | Confident | 115 Ų | 115 | 95.3 Ų | 95.3 | 62% | 0.615 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 158 | 172.1 | -158.9 | 0.2 | 0 | 0 | 0 | 109.6 | P50 S54 D55 H56 | P50-N52 PolarHBondContact O-N 3.38Å; N52-S54 PolarHBondContact O-N 3.49Å; N52-D55 WeakPolarHBondContact CB-OD2 3.26Å; N52-D55 PolarHBondContact N-OD2 2.98Å; N52-D55 PolarHBondContact O-N 2.86Å; N52-H56 PolarHBondContact O-N 2.92Å |
| 53 | F | 75.2 | Confident | 78.6 | Confident | 159 Ų | 159 | 93.8 Ų | 93.8 | 70% | 0.697 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -54.6 | -42.3 | -178.7 | 176.2 | -99.9 | 0 | 0 | 0 | 111.7 | D55 H56 V57 | F53-D55 VanDerWaalsContact C-N 3.32Å; F53-D55 PolarHBondContact O-N 3.39Å; F53-H56 PolarHBondContact O-N 3.33Å; F53-V57 HydrophobicContact CD1-CG2 4.19Å; F53-V57 HydrophobicContact CD2-CG2 4.4Å; F53-V57 HydrophobicContact CE1-CG2 3.72Å; F53-V57 HydrophobicContact CE2-CG2 3.96Å; F53-V57 HydrophobicContact CZ-CG2 3.6Å; F53-V57 WeakPolarHBondContact O-CG2 3.43Å; F53-V57 PolarHBondContact O-N 3.45Å |
| 54 | S | 81.9 | Confident | 79 | Confident | 82 Ų | 82 | 94.1 Ų | 94.1 | 57% | 0.573 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -57.9 | -43 | 175.7 | -170.9 | 0 | 0 | 0 | 0 | 112.5 | N52 V57 A58 | N52-S54 PolarHBondContact O-N 3.49Å; S54-V57 PolarHBondContact O-N 3.35Å; S54-A58 WeakPolarHBondContact O-CB 3.32Å; S54-A58 PolarHBondContact O-N 2.77Å |
| 55 | D | 82.1 | Confident | 79.2 | Confident | 83 Ų | 83 | 92.6 Ų | 92.6 | 44% | 0.444 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -71.5 | -37.3 | -179.4 | -54.4 | -34.3 | 0 | 0 | 0 | 111.1 | L51 N52 F53 A58 R59 | L51-D55 HydrophobicContact CB-CB 4.11Å; L51-D55 HydrophobicContact CD2-CB 3.53Å; L51-D55 HydrophobicContact CG-CB 3.65Å; N52-D55 WeakPolarHBondContact CB-OD2 3.26Å; N52-D55 PolarHBondContact N-OD2 2.98Å; N52-D55 PolarHBondContact O-N 2.86Å; F53-D55 VanDerWaalsContact C-N 3.32Å; F53-D55 PolarHBondContact O-N 3.39Å; D55-A58 PolarHBondContact O-N 3.49Å; D55-R59 WeakPolarHBondContact O-CB 3.46Å; D55-R59 PolarHBondContact O-N 3.05Å |
| 56 | H | 79.4 | Confident | 78.8 | Confident | 38 Ų | 38 | 95.5 Ų | 95.5 | 18% | 0.176 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.9 | -179.4 | 84.2 | 0 | 0 | 0 | 110.9 | N52 F53 R59 L60 | N52-H56 PolarHBondContact O-N 2.92Å; F53-H56 PolarHBondContact O-N 3.33Å; H56-R59 PolarHBondContact O-N 2.94Å; H56-L60 WeakPolarHBondContact NE2-CD1 3.34Å; H56-L60 WeakPolarHBondContact O-CG 3.49Å; H56-L60 PolarHBondContact O-N 3.25Å |
| 57 | V | 82.4 | Confident | 78.4 | Confident | 58 Ų | 58 | 96.9 Ų | 96.9 | 35% | 0.352 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | F53 S54 R59 L60 T61 | F53-V57 HydrophobicContact CD1-CG2 4.19Å; F53-V57 HydrophobicContact CD2-CG2 4.4Å; F53-V57 HydrophobicContact CE1-CG2 3.72Å; F53-V57 HydrophobicContact CE2-CG2 3.96Å; F53-V57 HydrophobicContact CZ-CG2 3.6Å; F53-V57 WeakPolarHBondContact O-CG2 3.43Å; F53-V57 PolarHBondContact O-N 3.45Å; S54-V57 PolarHBondContact O-N 3.35Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 2.86Å; V57-L60 WeakPolarHBondContact O-CB 3.45Å; V57-L60 PolarHBondContact O-N 3.29Å; V57-L60 VanDerWaalsContact O-N 3.09Å; V57-T61 PolarHBondContact O-N 3.08Å; V57-T61 PolarHBondContact O-OG1 3.49Å |
| 58 | A | 83.3 | Confident | 78.1 | Confident | 39 Ų | 39 | 95.9 Ų | 95.9 | 32% | 0.322 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57 | -45.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S54 D55 L60 T61 H62 | S54-A58 WeakPolarHBondContact O-CB 3.32Å; S54-A58 PolarHBondContact O-N 2.77Å; D55-A58 PolarHBondContact O-N 3.49Å; A58-L60 PolarHBondContact O-N 3.5Å; A58-T61 PolarHBondContact O-N 3.1Å; A58-H62 PolarHBondContact O-CD2 2.84Å; A58-H62 PolarHBondContact O-N 3.13Å |
| 59 | R | 82.5 | Confident | 77.4 | Confident | 118 Ų | 118 | 98.1 Ų | 98.1 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57 | -47.4 | 174.3 | -174.5 | -165.9 | -69.3 | 157.3 | -11.9 | 111.6 | D55 H56 V57 H62 M63 | D55-R59 WeakPolarHBondContact O-CB 3.46Å; D55-R59 PolarHBondContact O-N 3.05Å; H56-R59 PolarHBondContact O-N 2.94Å; V57-R59 VanDerWaalsContact C-N 3.32Å; V57-R59 PolarHBondContact O-N 2.86Å; R59-H62 PolarHBondContact O-N 2.91Å; R59-M63 WeakPolarHBondContact O-CG 3.4Å; R59-M63 PolarHBondContact O-N 3.35Å; R59-M63 VanDerWaalsContact O-N 3.13Å |
| 60 | L | 83 | Confident | 76.5 | Confident | 77 Ų | 77 | 95.1 Ų | 95.1 | 40% | 0.403 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 177 | -70.8 | 176.9 | 0 | 0 | 0 | 111.5 | H56 V57 A58 H62 M63 V64 | H56-L60 WeakPolarHBondContact NE2-CD1 3.34Å; H56-L60 WeakPolarHBondContact O-CG 3.49Å; H56-L60 PolarHBondContact O-N 3.25Å; V57-L60 WeakPolarHBondContact O-CB 3.45Å; V57-L60 PolarHBondContact O-N 3.29Å; V57-L60 VanDerWaalsContact O-N 3.09Å; A58-L60 PolarHBondContact O-N 3.5Å; L60-H62 VanDerWaalsContact C-N 3.26Å; L60-H62 PolarHBondContact O-N 3.42Å; L60-M63 WeakPolarHBondContact O-CB 3.22Å; L60-M63 PolarHBondContact O-N 2.73Å; L60-V64 PolarHBondContact O-N 2.78Å |
| 61 | T | 81.3 | Confident | 75.5 | Confident | 66 Ų | 66 | 95.5 Ų | 95.5 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -37.4 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 112 | V57 A58 M63 V64 W66 | V57-T61 PolarHBondContact O-N 3.08Å; V57-T61 PolarHBondContact O-OG1 3.49Å; A58-T61 PolarHBondContact O-N 3.1Å; T61-M63 VanDerWaalsContact C-N 3.33Å; T61-V64 PolarHBondContact O-N 3.45Å; T61-W66 HydrophobicContact CG2-CZ2 4.2Å; T61-W66 PolarHBondContact O-NE1 3.39Å |
| 62 | H | 81.1 | Confident | 74.5 | Confident | 165 Ų | 165 | 99 Ų | 99 | 76% | 0.764 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72 | -23.5 | 174.8 | -74.5 | -62.8 | 0 | 0 | 0 | 113.9 | A58 R59 L60 | A58-H62 PolarHBondContact O-CD2 2.84Å; A58-H62 PolarHBondContact O-N 3.13Å; R59-H62 PolarHBondContact O-N 2.91Å; L60-H62 VanDerWaalsContact C-N 3.26Å; L60-H62 PolarHBondContact O-N 3.42Å |
| 63 | M | 83.1 | Confident | 73.2 | Confident | 144 Ų | 144 | 101.9 Ų | 101.9 | 71% | 0.709 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -81.7 | -16.3 | 174.6 | -69.2 | 177.8 | 66.1 | 0 | 0 | 112.9 | R59 L60 T61 D65 | R59-M63 WeakPolarHBondContact O-CG 3.4Å; R59-M63 PolarHBondContact O-N 3.35Å; R59-M63 VanDerWaalsContact O-N 3.13Å; L60-M63 WeakPolarHBondContact O-CB 3.22Å; L60-M63 PolarHBondContact O-N 2.73Å; T61-M63 VanDerWaalsContact C-N 3.33Å; M63-D65 PolarHBondContact O-N 2.68Å |
| 64 | V | 79.1 | Confident | 71.8 | Confident | 58 Ų | 58 | 100 Ų | 100 | 35% | 0.352 | 54% | 0.538 | S | S | . | . | trans | -74.8 | 112.6 | 175.2 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | L60 T61 W66 | L60-V64 PolarHBondContact O-N 2.78Å; T61-V64 PolarHBondContact O-N 3.45Å; V64-W66 VanDerWaalsContact C-N 3.35Å; V64-W66 HydrophobicContact CB-CD2 4.28Å; V64-W66 HydrophobicContact CB-CH2 4.43Å; V64-W66 HydrophobicContact CB-CZ2 3.85Å; V64-W66 HydrophobicContact CG1-CD2 3.58Å; V64-W66 HydrophobicContact CG1-CE3 3.75Å; V64-W66 HydrophobicContact CG1-CG 4.15Å; V64-W66 HydrophobicContact CG1-CH2 3.92Å; V64-W66 HydrophobicContact CG1-CZ2 3.73Å; V64-W66 HydrophobicContact CG1-CZ3 3.92Å; V64-W66 HydrophobicContact CG2-CZ2 4.26Å; V64-W66 VanDerWaalsContact O-CD1 3.25Å; V64-W66 PolarHBondContact O-N 3.34Å; V64-W66 PolarHBondContact O-NE1 2.98Å | ||
| 65 | D | 76.3 | Confident | 69.8 | Low | 97 Ų | 97 | 99.1 Ų | 99.1 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | trans | -75.8 | 90.8 | 165.9 | -174.8 | -1.1 | 0 | 0 | 0 | 109.4 | M63 Q67 S68 L69 | M63-D65 PolarHBondContact O-N 2.68Å; D65-Q67 PolarHBondContact O-N 2.81Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.35Å; D65-Q67 PolarHBondContact OD1-N 3.3Å; D65-S68 PolarHBondContact O-N 2.84Å; D65-S68 VanDerWaalsContact O-N 3.14Å; D65-S68 PolarHBondContact OD1-N 2.95Å; D65-L69 PolarHBondContact O-N 3.47Å | ||
| 66 | W | 73.8 | Confident | 68.4 | Low | 142 Ų | 142 | 103.5 Ų | 103.5 | 54% | 0.538 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.6 | -25.8 | 178 | -59.4 | 101.4 | 0 | 0 | 0 | 112.2 | T61 V64 L69 V70 | T61-W66 HydrophobicContact CG2-CZ2 4.2Å; T61-W66 PolarHBondContact O-NE1 3.39Å; V64-W66 VanDerWaalsContact C-N 3.35Å; V64-W66 HydrophobicContact CB-CD2 4.28Å; V64-W66 HydrophobicContact CB-CH2 4.43Å; V64-W66 HydrophobicContact CB-CZ2 3.85Å; V64-W66 HydrophobicContact CG1-CD2 3.58Å; V64-W66 HydrophobicContact CG1-CE3 3.75Å; V64-W66 HydrophobicContact CG1-CG 4.15Å; V64-W66 HydrophobicContact CG1-CH2 3.92Å; V64-W66 HydrophobicContact CG1-CZ2 3.73Å; V64-W66 HydrophobicContact CG1-CZ3 3.92Å; V64-W66 HydrophobicContact CG2-CZ2 4.26Å; V64-W66 VanDerWaalsContact O-CD1 3.25Å; V64-W66 PolarHBondContact O-N 3.34Å; V64-W66 PolarHBondContact O-NE1 2.98Å; W66-L69 HydrophobicContact CE3-CD2 4.16Å; W66-L69 HydrophobicContact CZ3-CD2 4.07Å; W66-L69 PolarHBondContact O-N 3.3Å; W66-V70 WeakPolarHBondContact O-CB 3.46Å; W66-V70 WeakPolarHBondContact O-CG2 3.23Å; W66-V70 PolarHBondContact O-N 3.45Å |
| 67 | Q | 68.6 | Low | 66.7 | Low | 166 Ų | 166 | 107.4 Ų | 107.4 | 78% | 0.776 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.8 | -35.2 | 177.7 | -62.9 | -177.2 | -12.5 | 0 | 0 | 111.5 | D65 | D65-Q67 PolarHBondContact O-N 2.81Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.35Å; D65-Q67 PolarHBondContact OD1-N 3.3Å |
| 68 | S | 72 | Confident | 65 | Low | 95 Ų | 95 | 110.4 Ų | 110.4 | 66% | 0.664 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.1 | -32.8 | 172.2 | 178.1 | 0 | 0 | 0 | 0 | 112.7 | D65 | D65-S68 PolarHBondContact O-N 2.84Å; D65-S68 VanDerWaalsContact O-N 3.14Å; D65-S68 PolarHBondContact OD1-N 2.95Å |
| 69 | L | 61.5 | Low | 63.3 | Low | 128 Ų | 128 | 117.1 Ų | 117.1 | 67% | 0.67 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -81.8 | -34.4 | -175.2 | -164.3 | 71.9 | 0 | 0 | 0 | 112.7 | D65 W66 G71 | D65-L69 PolarHBondContact O-N 3.47Å; W66-L69 HydrophobicContact CE3-CD2 4.16Å; W66-L69 HydrophobicContact CZ3-CD2 4.07Å; W66-L69 PolarHBondContact O-N 3.3Å; L69-G71 VanDerWaalsContact C-N 3.3Å |
| 70 | V | 59.9 | Low | 61.6 | Low | 81 Ų | 81 | 119 Ų | 119 | 49% | 0.491 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -83.9 | -10.3 | -177.1 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | W66 L74 | W66-V70 WeakPolarHBondContact O-CB 3.46Å; W66-V70 WeakPolarHBondContact O-CG2 3.23Å; W66-V70 PolarHBondContact O-N 3.45Å; V70-L74 HydrophobicContact CG1-CB 4.24Å; V70-L74 HydrophobicContact CG1-CD1 4.01Å |
| 71 | G | 50.3 | Low | 59.6 | Low | 40 Ų | 40 | 120.2 Ų | 120.2 | 41% | 0.412 | 65% | 0.651 | S | S | . | * | trans | 66.4 | 137.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L69 K73 | L69-G71 VanDerWaalsContact C-N 3.3Å; G71-K73 PolarHBondContact O-N 2.93Å | ||
| 72 | S | 49 | Very low | 57.5 | Low | 127 Ų | 127 | 122 Ų | 122 | 89% | 0.888 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 28.3 | -176.4 | 75.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 73 | K | 51.1 | Low | 55.6 | Low | 177 Ų | 177 | 122.4 Ų | 122.4 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.4 | -9.7 | -174.3 | -76.5 | -171.5 | 176.3 | -176.5 | 0 | 115.5 | G71 S75 | G71-K73 PolarHBondContact O-N 2.93Å; K73-S75 PolarHBondContact O-N 3.26Å |
| 74 | L | 45.9 | Very low | 53.7 | Low | 118 Ų | 118 | 122.3 Ų | 122.3 | 62% | 0.618 | 67% | 0.671 | S | S | * | * | trans | -85.3 | 84.1 | 178.5 | -65.5 | 177.1 | 0 | 0 | 0 | 110.3 | V70 | V70-L74 HydrophobicContact CG1-CB 4.24Å; V70-L74 HydrophobicContact CG1-CD1 4.01Å | ||
| 75 | S | 40.4 | Very low | 52.2 | Low | 65 Ų | 65 | 129 Ų | 129 | 46% | 0.455 | 70% | 0.698 | S | S | . | * | trans | -61.2 | 134.4 | 156.6 | 80.3 | 0 | 0 | 0 | 0 | 107.6 | K73 T77 E78 | K73-S75 PolarHBondContact O-N 3.26Å; S75-T77 PolarHBondContact O-N 3.42Å; S75-E78 PolarHBondContact O-N 3.49Å | ||
| 76 | I | 51.7 | Low | 50.6 | Low | 174 Ų | 174 | 132.9 Ų | 132.9 | 89% | 0.892 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | -6.8 | -177.9 | -80.5 | 167 | 0 | 0 | 0 | 113.9 | ||
| 77 | T | 45.6 | Very low | 49.1 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -20.5 | -174.6 | -38.7 | 0 | 0 | 0 | 0 | 114.2 | S75 | S75-T77 PolarHBondContact O-N 3.42Š|
| 78 | E | 46.4 | Very low | 47.8 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 57% | 0.565 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -95.6 | 2.8 | -170.7 | -70 | 178.8 | 159.1 | 0 | 0 | 114.8 | S75 N80 | S75-E78 PolarHBondContact O-N 3.49Å; E78-N80 PolarHBondContact O-N 3.2Å |
| 79 | M | 47.1 | Very low | 46.2 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 6.1 | -176.3 | -147.4 | 160 | 169.2 | 0 | 0 | 114.2 | ||
| 80 | N | 47.3 | Very low | 45.6 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 7.1 | -174.9 | -81 | -16.5 | 0 | 0 | 0 | 114.9 | E78 | E78-N80 PolarHBondContact O-N 3.2Š|
| 81 | S | 39.6 | Very low | 45 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | -106.4 | 91.9 | 174 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 82 | S | 38.1 | Very low | 44.8 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -72.8 | 123.3 | 161.2 | 49.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 83 | E | 41.7 | Very low | 44.9 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | trans | -173.9 | 123.1 | 146.5 | -101.1 | 157.1 | -149.1 | 0 | 0 | 109.4 | ||||
| 84 | D | 43.6 | Very low | 45 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | 64.3 | 115.1 | 149 | -51.1 | -24.5 | 0 | 0 | 0 | 120.9 | ||||
| 85 | E | 46.9 | Very low | 45.3 | Very low | 197 Ų | 197 | 130.5 Ų | 130.5 | 92% | 0.921 | 73% | 0.729 | S | S | * | * | -177.5 | 136.4 | 103.6 | -95.3 | -178.7 | -173.1 | 0 | 0 | 112.4 | |||||
| 86 | E | 43.3 | Very low | 46.3 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | trans | -72.1 | 126.3 | 178.1 | -58.8 | 169.8 | 140.1 | 0 | 0 | 111.3 | ||||
| 87 | Q | 41.9 | Very low | 46.8 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 84% | 0.841 | 72% | 0.716 | S | S | * | * | trans | -179.7 | 153.3 | 139.4 | -133.1 | 64.8 | -29.5 | 0 | 0 | 111.4 | ||||
| 88 | E | 41.7 | Very low | 48 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 86% | 0.855 | 71% | 0.714 | S | S | * | * | trans | 86.8 | 63.6 | 174.9 | -64 | -167.7 | 149 | 0 | 0 | 117.8 | T90 | E88-T90 PolarHBondContact O-N 3.14Š| ||
| 89 | A | 36.7 | Very low | 49.2 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 106.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 90 | T | 49.1 | Very low | 50.3 | Low | 141 Ų | 141 | 125.6 Ų | 125.6 | 87% | 0.865 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.8 | -17.5 | 140.3 | 25.3 | 0 | 0 | 0 | 0 | 113.3 | E88 | E88-T90 PolarHBondContact O-N 3.14Š|
| 91 | D | 48.4 | Very low | 51.5 | Low | 139 Ų | 139 | 120.8 Ų | 120.8 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -101.1 | 1.6 | 174.6 | -85.8 | -20.3 | 0 | 0 | 0 | 114.3 | A93 S94 | D91-A93 VanDerWaalsContact C-N 3.28Å; D91-A93 PolarHBondContact O-N 3.38Å; D91-S94 PolarHBondContact O-OG 3.15Å |
| 92 | A | 46.1 | Very low | 53 | Low | 39 Ų | 39 | 118 Ų | 118 | 32% | 0.322 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.3 | -21.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S94 V95 H96 | A92-S94 VanDerWaalsContact C-N 3.3Å; A92-S94 PolarHBondContact O-N 3.17Å; A92-V95 PolarHBondContact O-N 3.23Å; A92-H96 PolarHBondContact O-CD2 2.68Å; A92-H96 PolarHBondContact O-N 3.05Å |
| 93 | A | 50.4 | Low | 54.6 | Low | 86 Ų | 86 | 120 Ų | 120 | 71% | 0.711 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.6 | -29.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D91 | D91-A93 VanDerWaalsContact C-N 3.28Å; D91-A93 PolarHBondContact O-N 3.38Å |
| 94 | S | 52.9 | Low | 56.1 | Low | 80 Ų | 80 | 118.6 Ų | 118.6 | 56% | 0.559 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -86.3 | -25.2 | 174.7 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | D91 A92 | D91-S94 PolarHBondContact O-OG 3.15Å; A92-S94 VanDerWaalsContact C-N 3.3Å; A92-S94 PolarHBondContact O-N 3.17Å |
| 95 | V | 53.3 | Low | 57.3 | Low | 84 Ų | 84 | 117.7 Ų | 117.7 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.2 | -40.3 | -179 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | A92 V97 W98 D99 | A92-V95 PolarHBondContact O-N 3.23Å; V95-V97 PolarHBondContact O-N 3.14Å; V95-V97 VanDerWaalsContact O-N 3.17Å; V95-W98 PolarHBondContact O-N 3.1Å; V95-W98 VanDerWaalsContact O-N 3.1Å; V95-D99 PolarHBondContact O-N 2.89Å |
| 96 | H | 60 | Low | 58.6 | Low | 109 Ų | 109 | 111.3 Ų | 111.3 | 51% | 0.505 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.3 | -19.5 | 178.2 | -68.2 | -49.2 | 0 | 0 | 0 | 115.6 | A92 W98 D99 | A92-H96 PolarHBondContact O-CD2 2.68Å; A92-H96 PolarHBondContact O-N 3.05Å; H96-W98 VanDerWaalsContact C-N 3.3Å; H96-D99 WeakPolarHBondContact CA-OD2 3.35Å; H96-D99 IonicContact CE1-OD2 3.44Å; H96-D99 IonicContact CG-OD2 3.9Å; H96-D99 IonicContact ND1-OD2 3.96Å; H96-D99 PolarHBondContact ND1-OD2 3.49Å |
| 97 | V | 62.8 | Low | 60.5 | Low | 93 Ų | 93 | 105 Ų | 105 | 56% | 0.564 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.5 | -38.1 | 175 | -177.7 | 0 | 0 | 0 | 0 | 110 | V95 | V95-V97 PolarHBondContact O-N 3.14Å; V95-V97 VanDerWaalsContact O-N 3.17Å |
| 98 | W | 71.5 | Confident | 62.5 | Low | 186 Ų | 186 | 100.6 Ų | 100.6 | 71% | 0.705 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -77.7 | -27.4 | 178.8 | -66.8 | 107 | 0 | 0 | 0 | 112.9 | V95 H96 N100 V101 G102 | V95-W98 PolarHBondContact O-N 3.1Å; V95-W98 VanDerWaalsContact O-N 3.1Å; H96-W98 VanDerWaalsContact C-N 3.3Å; W98-N100 PolarHBondContact O-N 3.1Å; W98-V101 HydrophobicContact CE3-CB 4.1Å; W98-V101 HydrophobicContact CE3-CG1 4.25Å; W98-V101 HydrophobicContact CE3-CG2 4.06Å; W98-V101 HydrophobicContact CZ3-CG1 4.39Å; W98-V101 HydrophobicContact CZ3-CG2 4.45Å; W98-V101 CarbonylContact O-C 3.45Å; W98-V101 WeakPolarHBondContact O-CB 3.31Å; W98-V101 PolarHBondContact O-N 2.77Å; W98-V101 VanDerWaalsContact O-N 3.08Å; W98-G102 PolarHBondContact O-N 3.1Å |
| 99 | D | 70.1 | Confident | 64.6 | Low | 75 Ų | 75 | 95 Ų | 95 | 40% | 0.401 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.6 | -38.6 | 173.1 | -68.1 | -22.6 | 0 | 0 | 0 | 111.7 | V95 H96 G102 K103 | V95-D99 PolarHBondContact O-N 2.89Å; H96-D99 WeakPolarHBondContact CA-OD2 3.35Å; H96-D99 IonicContact CE1-OD2 3.44Å; H96-D99 IonicContact CG-OD2 3.9Å; H96-D99 IonicContact ND1-OD2 3.96Å; H96-D99 PolarHBondContact ND1-OD2 3.49Å; D99-G102 PolarHBondContact O-N 3.28Å; D99-K103 PolarHBondContact O-N 3.3Å |
| 100 | N | 71.1 | Confident | 67 | Low | 95 Ų | 95 | 96.9 Ų | 96.9 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.6 | -38.4 | 176.3 | -69.3 | -23.7 | 0 | 0 | 0 | 111.8 | W98 G102 K103 E104 | W98-N100 PolarHBondContact O-N 3.1Å; N100-G102 VanDerWaalsContact C-N 3.27Å; N100-G102 PolarHBondContact O-N 2.95Å; N100-K103 PolarHBondContact O-N 2.85Å; N100-E104 WeakPolarHBondContact O-CG 3.19Å; N100-E104 PolarHBondContact O-N 2.8Å; N100-E104 VanDerWaalsContact O-N 3.15Å |
| 101 | V | 71.5 | Confident | 69 | Low | 57 Ų | 57 | 94.5 Ų | 94.5 | 35% | 0.345 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 172.5 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | W98 K103 E104 F105 | W98-V101 HydrophobicContact CE3-CB 4.1Å; W98-V101 HydrophobicContact CE3-CG1 4.25Å; W98-V101 HydrophobicContact CE3-CG2 4.06Å; W98-V101 HydrophobicContact CZ3-CG1 4.39Å; W98-V101 HydrophobicContact CZ3-CG2 4.45Å; W98-V101 CarbonylContact O-C 3.45Å; W98-V101 WeakPolarHBondContact O-CB 3.31Å; W98-V101 PolarHBondContact O-N 2.77Å; W98-V101 VanDerWaalsContact O-N 3.08Å; V101-K103 VanDerWaalsContact C-N 3.34Å; V101-K103 PolarHBondContact O-N 3.02Å; V101-E104 PolarHBondContact O-N 3.08Å; V101-F105 HydrophobicContact CG1-CD2 4.45Å; V101-F105 HydrophobicContact CG1-CE2 4Å; V101-F105 WeakPolarHBondContact O-CD2 3.34Å; V101-F105 PolarHBondContact O-N 3.3Å; V101-F105 VanDerWaalsContact O-N 3.14Å |
| 102 | G | 72.4 | Confident | 70.9 | Confident | 42 Ų | 42 | 92.3 Ų | 92.3 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -53 | -46.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113 | W98 D99 N100 F105 | W98-G102 PolarHBondContact O-N 3.1Å; D99-G102 PolarHBondContact O-N 3.28Å; N100-G102 VanDerWaalsContact C-N 3.27Å; N100-G102 PolarHBondContact O-N 2.95Å; G102-F105 WeakPolarHBondContact O-CB 3.33Å; G102-F105 PolarHBondContact O-N 3.1Å |
| 103 | K | 72 | Confident | 73.1 | Confident | 147 Ų | 147 | 94.8 Ų | 94.8 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.1 | -35.1 | 176.7 | -68.7 | 171.7 | -175.3 | 171.2 | 0 | 112.6 | D99 N100 V101 F105 S106 | D99-K103 PolarHBondContact O-N 3.3Å; N100-K103 PolarHBondContact O-N 2.85Å; V101-K103 VanDerWaalsContact C-N 3.34Å; V101-K103 PolarHBondContact O-N 3.02Å; K103-F105 PolarHBondContact O-N 3.45Å; K103-S106 VanDerWaalsContact O-CB 3.23Å; K103-S106 WeakPolarHBondContact O-CB 3.26Å; K103-S106 PolarHBondContact O-N 3.46Å; K103-S106 VanDerWaalsContact O-N 3.1Å; K103-S106 PolarHBondContact O-OG 3.17Å |
| 104 | E | 71.5 | Confident | 75.1 | Confident | 144 Ų | 144 | 95.4 Ų | 95.4 | 67% | 0.673 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.5 | -18.9 | 174.8 | -62.7 | -64.9 | 145.6 | 0 | 0 | 112.7 | N100 V101 S106 A107 | N100-E104 WeakPolarHBondContact O-CG 3.19Å; N100-E104 PolarHBondContact O-N 2.8Å; N100-E104 VanDerWaalsContact O-N 3.15Å; V101-E104 PolarHBondContact O-N 3.08Å; E104-S106 PolarHBondContact O-N 3.34Å; E104-S106 VanDerWaalsContact O-N 3.14Å; E104-A107 WeakPolarHBondContact O-CB 3.32Å; E104-A107 PolarHBondContact O-N 3.19Å |
| 105 | F | 70.8 | Confident | 76.9 | Confident | 123 Ų | 123 | 95.4 Ų | 95.4 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -6.5 | 168.4 | -78.4 | -74.2 | 0 | 0 | 0 | 113.4 | V101 G102 K103 A107 L108 S109 | V101-F105 HydrophobicContact CG1-CD2 4.45Å; V101-F105 HydrophobicContact CG1-CE2 4Å; V101-F105 WeakPolarHBondContact O-CD2 3.34Å; V101-F105 PolarHBondContact O-N 3.3Å; V101-F105 VanDerWaalsContact O-N 3.14Å; G102-F105 WeakPolarHBondContact O-CB 3.33Å; G102-F105 PolarHBondContact O-N 3.1Å; K103-F105 PolarHBondContact O-N 3.45Å; F105-A107 PolarHBondContact O-N 2.98Å; F105-L108 HydrophobicContact CD1-CD1 3.35Å; F105-L108 HydrophobicContact CD1-CG 3.83Å; F105-L108 HydrophobicContact CE1-CD1 3.71Å; F105-L108 HydrophobicContact CE1-CG 4.46Å; F105-L108 WeakPolarHBondContact O-CB 3.49Å; F105-L108 PolarHBondContact O-N 3.21Å; F105-S109 PolarHBondContact O-N 3.07Å |
| 106 | S | 74.1 | Confident | 78.6 | Confident | 63 Ų | 63 | 95.5 Ų | 95.5 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -54.3 | -29.9 | 162.8 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | K103 E104 L108 S109 E110 | K103-S106 VanDerWaalsContact O-CB 3.23Å; K103-S106 WeakPolarHBondContact O-CB 3.26Å; K103-S106 PolarHBondContact O-N 3.46Å; K103-S106 VanDerWaalsContact O-N 3.1Å; K103-S106 PolarHBondContact O-OG 3.17Å; E104-S106 PolarHBondContact O-N 3.34Å; E104-S106 VanDerWaalsContact O-N 3.14Å; S106-L108 PolarHBondContact O-N 2.77Å; S106-S109 PolarHBondContact O-N 3.27Å; S106-S109 VanDerWaalsContact O-N 3.1Å; S106-S109 PolarHBondContact O-OG 3.05Å; S106-E110 PolarHBondContact O-N 3.23Å; S106-E110 VanDerWaalsContact O-N 3.1Å |
| 107 | A | 82.5 | Confident | 80 | Confident | 47 Ų | 47 | 93.2 Ų | 93.2 | 39% | 0.388 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -30 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E104 F105 I111 | E104-A107 WeakPolarHBondContact O-CB 3.32Å; E104-A107 PolarHBondContact O-N 3.19Å; F105-A107 PolarHBondContact O-N 2.98Å; A107-I111 WeakPolarHBondContact O-CB 3.3Å; A107-I111 WeakPolarHBondContact O-CD1 3.35Å; A107-I111 WeakPolarHBondContact O-CG1 3.17Å; A107-I111 PolarHBondContact O-N 2.79Å |
| 108 | L | 83.8 | Confident | 81.2 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.9 | -35 | 173.8 | -73.4 | -170.9 | 0 | 0 | 0 | 112.1 | F105 S106 E110 I111 N112 | F105-L108 HydrophobicContact CD1-CD1 3.35Å; F105-L108 HydrophobicContact CD1-CG 3.83Å; F105-L108 HydrophobicContact CE1-CD1 3.71Å; F105-L108 HydrophobicContact CE1-CG 4.46Å; F105-L108 WeakPolarHBondContact O-CB 3.49Å; F105-L108 PolarHBondContact O-N 3.21Å; S106-L108 PolarHBondContact O-N 2.77Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-I111 HydrophobicContact CD2-CD1 4.34Å; L108-I111 PolarHBondContact O-N 3.46Å; L108-N112 WeakPolarHBondContact O-CB 3.3Å; L108-N112 VanDerWaalsContact O-CG 3.23Å; L108-N112 PolarHBondContact O-N 2.92Å; L108-N112 PolarHBondContact O-ND2 2.97Å |
| 109 | S | 85.4 | Confident | 81.9 | Confident | 67 Ų | 67 | 89.1 Ų | 89.1 | 47% | 0.469 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 175.1 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | F105 S106 N112 V113 | F105-S109 PolarHBondContact O-N 3.07Å; S106-S109 PolarHBondContact O-N 3.27Å; S106-S109 VanDerWaalsContact O-N 3.1Å; S106-S109 PolarHBondContact O-OG 3.05Å; S109-N112 PolarHBondContact O-N 3.36Å; S109-V113 VanDerWaalsContact O-CG2 3.31Å; S109-V113 WeakPolarHBondContact O-CG2 3.4Å; S109-V113 PolarHBondContact O-N 3.17Å |
| 110 | E | 87.9 | Confident | 82.7 | Confident | 130 Ų | 130 | 88.4 Ų | 88.4 | 61% | 0.607 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.6 | -45.6 | 171.8 | -68.3 | -178.2 | -177.2 | 0 | 0 | 112.3 | S106 L108 N112 V113 I114 | S106-E110 PolarHBondContact O-N 3.23Å; S106-E110 VanDerWaalsContact O-N 3.1Å; L108-E110 VanDerWaalsContact C-N 3.34Å; E110-N112 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 3.05Å; E110-V113 PolarHBondContact O-N 3.23Å; E110-I114 WeakPolarHBondContact O-CG1 3.28Å; E110-I114 PolarHBondContact O-N 3.1Å |
| 111 | I | 89.9 | Confident | 83.4 | Confident | 91 Ų | 91 | 84.1 Ų | 84.1 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.3 | -71.2 | 164.3 | 0 | 0 | 0 | 111.2 | A107 L108 I114 L115 | A107-I111 WeakPolarHBondContact O-CB 3.3Å; A107-I111 WeakPolarHBondContact O-CD1 3.35Å; A107-I111 WeakPolarHBondContact O-CG1 3.17Å; A107-I111 PolarHBondContact O-N 2.79Å; L108-I111 HydrophobicContact CD2-CD1 4.34Å; L108-I111 PolarHBondContact O-N 3.46Å; I111-I114 PolarHBondContact O-N 2.94Å; I111-L115 WeakPolarHBondContact O-CB 3Å; I111-L115 PolarHBondContact O-N 3.39Å |
| 112 | N | 89.5 | Confident | 84 | Confident | 92 Ų | 92 | 85.9 Ų | 85.9 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 177.5 | -75.9 | -29.1 | 0 | 0 | 0 | 111.8 | L108 S109 E110 I114 L115 D116 | L108-N112 WeakPolarHBondContact O-CB 3.3Å; L108-N112 VanDerWaalsContact O-CG 3.23Å; L108-N112 PolarHBondContact O-N 2.92Å; L108-N112 PolarHBondContact O-ND2 2.97Å; S109-N112 PolarHBondContact O-N 3.36Å; E110-N112 VanDerWaalsContact C-N 3.33Å; E110-N112 PolarHBondContact O-N 3.05Å; N112-I114 VanDerWaalsContact C-N 3.35Å; N112-I114 PolarHBondContact O-N 2.84Å; N112-L115 WeakPolarHBondContact O-CB 3.36Å; N112-L115 PolarHBondContact O-N 2.79Å; N112-D116 PolarHBondContact O-N 2.94Å |
| 113 | V | 91.7 | Very high | 84.4 | Confident | 91 Ų | 91 | 88.6 Ų | 88.6 | 55% | 0.552 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.2 | -45 | 174.2 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | S109 E110 L115 D116 V117 | S109-V113 VanDerWaalsContact O-CG2 3.31Å; S109-V113 WeakPolarHBondContact O-CG2 3.4Å; S109-V113 PolarHBondContact O-N 3.17Å; E110-V113 PolarHBondContact O-N 3.23Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 3.48Å; V113-D116 PolarHBondContact O-N 2.78Å; V113-V117 WeakPolarHBondContact O-CG2 3.4Å; V113-V117 PolarHBondContact O-N 3.34Å |
| 114 | I | 91.8 | Very high | 84.6 | Confident | 100 Ų | 100 | 89.1 Ų | 89.1 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.6 | -68.5 | 166.3 | 0 | 0 | 0 | 110.8 | E110 I111 N112 D116 V117 I118 | E110-I114 WeakPolarHBondContact O-CG1 3.28Å; E110-I114 PolarHBondContact O-N 3.1Å; I111-I114 PolarHBondContact O-N 2.94Å; N112-I114 VanDerWaalsContact C-N 3.35Å; N112-I114 PolarHBondContact O-N 2.84Å; I114-D116 VanDerWaalsContact C-N 3.32Å; I114-D116 PolarHBondContact O-N 2.9Å; I114-V117 PolarHBondContact O-N 3.19Å; I114-I118 HydrophobicContact CG2-CD1 3.9Å; I114-I118 HydrophobicContact CG2-CG1 4.5Å; I114-I118 VanDerWaalsContact O-CG1 3.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.4Å; I114-I118 PolarHBondContact O-N 3.42Å |
| 115 | L | 90.9 | Very high | 84.6 | Confident | 79 Ų | 79 | 90.6 Ų | 90.6 | 41% | 0.414 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 179.5 | -153.7 | 159 | 0 | 0 | 0 | 111.1 | I111 N112 V113 I118 K119 | I111-L115 WeakPolarHBondContact O-CB 3Å; I111-L115 PolarHBondContact O-N 3.39Å; N112-L115 WeakPolarHBondContact O-CB 3.36Å; N112-L115 PolarHBondContact O-N 2.79Å; V113-L115 VanDerWaalsContact C-N 3.3Å; V113-L115 PolarHBondContact O-N 3.48Å; L115-I118 PolarHBondContact O-N 3.37Å; L115-K119 HydrophobicContact CD2-CD 3.9Å; L115-K119 HydrophobicContact CD2-CG 4.21Å; L115-K119 WeakPolarHBondContact O-CG 3.44Å; L115-K119 PolarHBondContact O-N 3.22Å |
| 116 | D | 90.5 | Very high | 85 | Confident | 86 Ų | 86 | 93.4 Ų | 93.4 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 174.8 | -71.4 | -18.6 | 0 | 0 | 0 | 112.2 | N112 V113 I114 I118 K119 V120 | N112-D116 PolarHBondContact O-N 2.94Å; V113-D116 PolarHBondContact O-N 2.78Å; I114-D116 VanDerWaalsContact C-N 3.32Å; I114-D116 PolarHBondContact O-N 2.9Å; D116-I118 VanDerWaalsContact C-N 3.31Å; D116-I118 PolarHBondContact O-N 2.92Å; D116-K119 PolarHBondContact O-N 2.87Å; D116-K119 IonicContact OD1-NZ 2.87Å; D116-V120 WeakPolarHBondContact O-CG2 3.35Å; D116-V120 PolarHBondContact O-N 3.18Å |
| 117 | V | 89.3 | Confident | 85.2 | Confident | 62 Ų | 62 | 95 Ų | 95 | 38% | 0.376 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 172.1 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | V113 I114 V120 T121 M127 | V113-V117 WeakPolarHBondContact O-CG2 3.4Å; V113-V117 PolarHBondContact O-N 3.34Å; I114-V117 PolarHBondContact O-N 3.19Å; V117-V120 PolarHBondContact O-N 2.92Å; V117-T121 HydrophobicContact CG1-CG2 4.29Å; V117-T121 WeakPolarHBondContact O-CB 3.46Å; V117-T121 VanDerWaalsContact O-CG2 3.26Å; V117-T121 WeakPolarHBondContact O-CG2 3.49Å; V117-T121 PolarHBondContact O-N 2.93Å; V117-T121 PolarHBondContact O-OG1 3.19Å; V117-M127 HydrophobicContact CG1-SD 4.43Å |
| 118 | I | 87.5 | Confident | 85 | Confident | 85 Ų | 85 | 98.6 Ų | 98.6 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.5 | -67.9 | 167.1 | 0 | 0 | 0 | 111 | I114 L115 D116 V120 T121 T122 | I114-I118 HydrophobicContact CG2-CD1 3.9Å; I114-I118 HydrophobicContact CG2-CG1 4.5Å; I114-I118 VanDerWaalsContact O-CG1 3.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.4Å; I114-I118 PolarHBondContact O-N 3.42Å; L115-I118 PolarHBondContact O-N 3.37Å; D116-I118 VanDerWaalsContact C-N 3.31Å; D116-I118 PolarHBondContact O-N 2.92Å; I118-V120 PolarHBondContact O-N 3.36Å; I118-T121 VanDerWaalsContact CA-OG1 3.3Å; I118-T121 WeakPolarHBondContact CA-OG1 3.36Å; I118-T121 PolarHBondContact O-N 3.28Å; I118-T121 PolarHBondContact O-OG1 2.92Å; I118-T122 HydrophobicContact CG2-CG2 4.15Å; I118-T122 WeakPolarHBondContact O-CB 3.38Å; I118-T122 WeakPolarHBondContact O-CG2 3.5Å; I118-T122 PolarHBondContact O-N 3.46Å; I118-T122 PolarHBondContact O-OG1 2.9Å |
| 119 | K | 86.3 | Confident | 84.6 | Confident | 107 Ų | 107 | 101.4 Ų | 101.4 | 47% | 0.465 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 176.4 | -76.8 | 170.7 | 177.4 | 161.2 | 0 | 112.8 | L115 D116 T122 Q123 | L115-K119 HydrophobicContact CD2-CD 3.9Å; L115-K119 HydrophobicContact CD2-CG 4.21Å; L115-K119 WeakPolarHBondContact O-CG 3.44Å; L115-K119 PolarHBondContact O-N 3.22Å; D116-K119 PolarHBondContact O-N 2.87Å; D116-K119 IonicContact OD1-NZ 2.87Å; K119-T122 WeakPolarHBondContact CA-OG1 3.27Å; K119-T122 PolarHBondContact O-OG1 3.19Å; K119-Q123 WeakPolarHBondContact O-CG 3.47Å; K119-Q123 PolarHBondContact O-N 3.42Å |
| 120 | V | 86.8 | Confident | 84.2 | Confident | 60 Ų | 60 | 104.6 Ų | 104.6 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71 | -42.9 | 179.3 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | D116 V117 I118 Q123 Y126 M127 | D116-V120 WeakPolarHBondContact O-CG2 3.35Å; D116-V120 PolarHBondContact O-N 3.18Å; V117-V120 PolarHBondContact O-N 2.92Å; I118-V120 PolarHBondContact O-N 3.36Å; V120-Q123 PolarHBondContact O-N 3.47Å; V120-Y126 HydrophobicContact CG1-CD2 4.5Å; V120-M127 HydrophobicContact CG1-CB 4.28Å |
| 121 | T | 85.3 | Confident | 83.6 | Confident | 6 Ų | 6 | 104.5 Ų | 104.5 | 4% | 0.037 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 179.2 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | V117 I118 Q123 K124 M127 F129 | V117-T121 HydrophobicContact CG1-CG2 4.29Å; V117-T121 WeakPolarHBondContact O-CB 3.46Å; V117-T121 VanDerWaalsContact O-CG2 3.26Å; V117-T121 WeakPolarHBondContact O-CG2 3.49Å; V117-T121 PolarHBondContact O-N 2.93Å; V117-T121 PolarHBondContact O-OG1 3.19Å; I118-T121 VanDerWaalsContact CA-OG1 3.3Å; I118-T121 WeakPolarHBondContact CA-OG1 3.36Å; I118-T121 PolarHBondContact O-N 3.28Å; I118-T121 PolarHBondContact O-OG1 2.92Å; T121-Q123 VanDerWaalsContact C-N 3.27Å; T121-Q123 PolarHBondContact O-N 3.2Å; T121-K124 PolarHBondContact O-N 3.43Å; T121-K124 VanDerWaalsContact O-N 3.1Å; T121-M127 HydrophobicContact CG2-CB 3.8Å; T121-M127 HydrophobicContact CG2-CG 3.7Å; T121-M127 HydrophobicContact CG2-SD 3.62Å; T121-F129 HydrophobicContact CG2-CE1 4.11Å; T121-F129 HydrophobicContact CG2-CE2 4.04Å; T121-F129 HydrophobicContact CG2-CZ 3.81Å; T121-F129 VanDerWaalsContact OG1-CE2 3.26Å; T121-F129 WeakPolarHBondContact OG1-CE2 3.39Å; T121-F129 VanDerWaalsContact OG1-CZ 3.32Å; T121-F129 WeakPolarHBondContact OG1-CZ 3.29Å |
| 122 | T | 83.3 | Confident | 82.4 | Confident | 94 Ų | 94 | 105.9 Ų | 105.9 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.1 | -29.8 | 176.6 | 47.6 | 0 | 0 | 0 | 0 | 113 | I118 K119 K124 | I118-T122 HydrophobicContact CG2-CG2 4.15Å; I118-T122 WeakPolarHBondContact O-CB 3.38Å; I118-T122 WeakPolarHBondContact O-CG2 3.5Å; I118-T122 PolarHBondContact O-N 3.46Å; I118-T122 PolarHBondContact O-OG1 2.9Å; K119-T122 WeakPolarHBondContact CA-OG1 3.27Å; K119-T122 PolarHBondContact O-OG1 3.19Å; T122-K124 VanDerWaalsContact C-N 3.25Å; T122-K124 PolarHBondContact O-N 3.49Å |
| 123 | Q | 81.7 | Confident | 81 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 46% | 0.458 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.8 | 176.1 | -69.3 | 179.9 | 26.4 | 0 | 0 | 113.5 | K119 V120 T121 R125 | K119-Q123 WeakPolarHBondContact O-CG 3.47Å; K119-Q123 PolarHBondContact O-N 3.42Å; V120-Q123 PolarHBondContact O-N 3.47Å; T121-Q123 VanDerWaalsContact C-N 3.27Å; T121-Q123 PolarHBondContact O-N 3.2Å; Q123-R125 WeakPolarHBondContact O-CG 3.45Å; Q123-R125 PolarHBondContact O-N 3.41Å |
| 124 | K | 76.1 | Confident | 79.1 | Confident | 159 Ų | 159 | 112.3 Ų | 112.3 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | trans | 54.1 | 5.6 | -179.9 | -58.3 | -173.6 | -178.8 | -178.3 | 0 | 116.3 | T121 T122 L128 | T121-K124 PolarHBondContact O-N 3.43Å; T121-K124 VanDerWaalsContact O-N 3.1Å; T122-K124 VanDerWaalsContact C-N 3.25Å; T122-K124 PolarHBondContact O-N 3.49Å; K124-L128 HydrophobicContact CB-CD2 3.85Å; K124-L128 HydrophobicContact CD-CD2 4.26Å; K124-L128 HydrophobicContact CG-CD2 3.82Å | ||
| 125 | R | 71.7 | Confident | 76.9 | Confident | 175 Ų | 175 | 114.2 Ų | 114.2 | 66% | 0.66 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -82.9 | -27.3 | -175.6 | -74.9 | -170.2 | -74.3 | -176.1 | -1.4 | 113.3 | Q123 | Q123-R125 WeakPolarHBondContact O-CG 3.45Å; Q123-R125 PolarHBondContact O-N 3.41Å |
| 126 | Y | 78.2 | Confident | 75.3 | Confident | 181 Ų | 181 | 116.3 Ų | 116.3 | 71% | 0.71 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -130.9 | -25.1 | -171.4 | -56.1 | -73.4 | 0 | 0 | 0 | 113.7 | V120 | V120-Y126 HydrophobicContact CG1-CD2 4.5Š|
| 127 | M | 78.3 | Confident | 73.4 | Confident | 98 Ų | 98 | 117.4 Ų | 117.4 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | trans | -148.1 | 142.1 | -176.2 | -161.6 | 176.6 | -175.6 | 0 | 0 | 109.9 | V117 V120 T121 | V117-M127 HydrophobicContact CG1-SD 4.43Å; V120-M127 HydrophobicContact CG1-CB 4.28Å; T121-M127 HydrophobicContact CG2-CB 3.8Å; T121-M127 HydrophobicContact CG2-CG 3.7Å; T121-M127 HydrophobicContact CG2-SD 3.62Å | ||
| 128 | L | 78.7 | Confident | 71.5 | Confident | 122 Ų | 122 | 121 Ų | 121 | 64% | 0.639 | 61% | 0.614 | S | S | * | * | trans | -128.3 | 141.1 | 175.9 | -68.5 | 167.5 | 0 | 0 | 0 | 108 | K124 D130 | K124-L128 HydrophobicContact CB-CD2 3.85Å; K124-L128 HydrophobicContact CD-CD2 4.26Å; K124-L128 HydrophobicContact CG-CD2 3.82Å; L128-D130 PolarHBondContact O-N 2.93Å | ||
| 129 | F | 75.6 | Confident | 69.6 | Low | 147 Ų | 147 | 123.9 Ų | 123.9 | 65% | 0.645 | 63% | 0.626 | S | S | * | * | trans | -71.9 | 112.6 | 170.9 | -70 | -66.9 | 0 | 0 | 0 | 108.7 | T121 | T121-F129 HydrophobicContact CG2-CE1 4.11Å; T121-F129 HydrophobicContact CG2-CE2 4.04Å; T121-F129 HydrophobicContact CG2-CZ 3.81Å; T121-F129 VanDerWaalsContact OG1-CE2 3.26Å; T121-F129 WeakPolarHBondContact OG1-CE2 3.39Å; T121-F129 VanDerWaalsContact OG1-CZ 3.32Å; T121-F129 WeakPolarHBondContact OG1-CZ 3.29Å | ||
| 130 | D | 77.7 | Confident | 68 | Low | 133 Ų | 133 | 125.2 Ų | 125.2 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | trans | -83 | 131 | 170.3 | -167.9 | 13.1 | 0 | 0 | 0 | 109.5 | L128 V132 | L128-D130 PolarHBondContact O-N 2.93Å; D130-V132 VanDerWaalsContact C-N 3.35Å; D130-V132 PolarHBondContact O-N 2.95Å | ||
| 131 | T | 74.4 | Confident | 66.4 | Low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | trans | -82.7 | 83.7 | 177.8 | 53.5 | 0 | 0 | 0 | 0 | 108.6 | S133 | T131-S133 PolarHBondContact O-N 2.94Š| ||
| 132 | V | 66.1 | Low | 65 | Low | 120 Ų | 120 | 135.9 Ų | 135.9 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -77 | 117.2 | 169.9 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | D130 R134 | D130-V132 VanDerWaalsContact C-N 3.35Å; D130-V132 PolarHBondContact O-N 2.95Å; V132-R134 PolarHBondContact O-N 2.84Å | ||
| 133 | S | 58.1 | Low | 63.6 | Low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | trans | -54.3 | 109.6 | 170.9 | -56.6 | 0 | 0 | 0 | 0 | 109.4 | T131 D135 | T131-S133 PolarHBondContact O-N 2.94Å; S133-D135 PolarHBondContact O-N 3.36Å | ||
| 134 | R | 52.1 | Low | 62.5 | Low | 206 Ų | 206 | 137.5 Ų | 137.5 | 78% | 0.777 | 69% | 0.692 | S | S | * | * | trans | -68 | 111.5 | 175.2 | -177.9 | 176.8 | -179.7 | 171.2 | 0.5 | 108.7 | V132 | V132-R134 PolarHBondContact O-N 2.84Š| ||
| 135 | D | 46.3 | Very low | 61.6 | Low | 140 Ų | 140 | 137.9 Ų | 137.9 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | trans | -57.5 | 126.9 | 163.9 | -93.6 | -42.1 | 0 | 0 | 0 | 108.5 | S133 S137 | S133-D135 PolarHBondContact O-N 3.36Å; D135-S137 PolarHBondContact O-N 2.86Å | ||
| 136 | P | 56.7 | Low | 61 | Low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 17.1 | -172.6 | 27.5 | -34.6 | 0 | 0 | 0 | 114.7 | ||
| 137 | S | 51.4 | Low | 60.1 | Low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 5.6 | -165.7 | -161 | 0 | 0 | 0 | 0 | 116.3 | D135 | D135-S137 PolarHBondContact O-N 2.86Š|
| 138 | E | 48.9 | Very low | 59.2 | Low | 136 Ų | 136 | 136.9 Ų | 136.9 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -120.8 | 64.9 | 176.7 | -75.8 | -99.4 | 154.4 | 0 | 0 | 110.2 | N140 | E138-N140 PolarHBondContact O-N 3.49Å; E138-N140 PolarHBondContact OE2-ND2 2.85Å | ||
| 139 | E | 47.3 | Very low | 58.6 | Low | 147 Ų | 147 | 135.6 Ų | 135.6 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | trans | -77.5 | 79.1 | 165.3 | -166.9 | -178.7 | 147.3 | 0 | 0 | 108.8 | R141 | E139-R141 HydrophobicContact CG-CG 4.32Å; E139-R141 PolarHBondContact O-N 3.4Å; E139-R141 IonicContact OE1-NE 3.51Å | ||
| 140 | N | 53.1 | Low | 58 | Low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | trans | -64 | 87.3 | 165.6 | -94.7 | -64.9 | 0 | 0 | 0 | 108.7 | E138 P142 | E138-N140 PolarHBondContact O-N 3.49Å; E138-N140 PolarHBondContact OE2-ND2 2.85Å; N140-P142 WeakPolarHBondContact O-CD 3.44Å | ||
| 141 | R | 53.6 | Low | 57.5 | Low | 197 Ų | 197 | 136.9 Ų | 136.9 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | trans | -60.2 | 118 | 171.1 | -76.5 | -176.4 | 175.1 | 175.1 | 0.9 | 108.3 | E139 N143 | E139-R141 HydrophobicContact CG-CG 4.32Å; E139-R141 PolarHBondContact O-N 3.4Å; E139-R141 IonicContact OE1-NE 3.51Å; R141-N143 PolarHBondContact O-N 2.99Å | ||
| 142 | P | 55.5 | Low | 57.3 | Low | 93 Ų | 93 | 138.3 Ų | 138.3 | 60% | 0.604 | 68% | 0.684 | S | S | * | * | trans | -61.4 | 133.4 | 177.7 | 24.4 | -31.7 | 0 | 0 | 0 | 108.8 | N140 N144 | N140-P142 WeakPolarHBondContact O-CD 3.44Å; P142-N144 PolarHBondContact O-N 3.14Å | ||
| 143 | N | 54.5 | Low | 57.7 | Low | 130 Ų | 130 | 140.8 Ų | 140.8 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | trans | -66.9 | 71.9 | 175.9 | -97.7 | -27.9 | 0 | 0 | 0 | 110.5 | R141 K145 Q146 | R141-N143 PolarHBondContact O-N 2.99Å; N143-K145 PolarHBondContact O-N 3.25Å; N143-Q146 PolarHBondContact O-N 3.32Å | ||
| 144 | N | 58.4 | Low | 58.4 | Low | 96 Ų | 96 | 141.7 Ų | 141.7 | 51% | 0.513 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -60.6 | -9.4 | -178.9 | -71.6 | -25.2 | 0 | 0 | 0 | 113.5 | P142 Q146 L147 R148 | P142-N144 PolarHBondContact O-N 3.14Å; N144-Q146 VanDerWaalsContact C-N 3.33Å; N144-Q146 PolarHBondContact O-N 3.27Å; N144-L147 PolarHBondContact O-N 2.81Å; N144-R148 PolarHBondContact O-N 2.76Å; N144-R148 VanDerWaalsContact O-N 3.15Å |
| 145 | K | 57.8 | Low | 59.5 | Low | 166 Ų | 166 | 135.9 Ų | 135.9 | 72% | 0.722 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.9 | -38.1 | 175.1 | -64.6 | -177.8 | -178.6 | 176.5 | 0 | 112 | N143 T149 | N143-K145 PolarHBondContact O-N 3.25Å; K145-T149 PolarHBondContact O-N 2.98Å; K145-T149 PolarHBondContact O-OG1 3.36Å |
| 146 | Q | 58.5 | Low | 60.6 | Low | 136 Ų | 136 | 132.7 Ų | 132.7 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.7 | -39.3 | 179.5 | -67 | -167.8 | 11.2 | 0 | 0 | 112.2 | N143 N144 T149 R150 | N143-Q146 PolarHBondContact O-N 3.32Å; N144-Q146 VanDerWaalsContact C-N 3.33Å; N144-Q146 PolarHBondContact O-N 3.27Å; Q146-T149 PolarHBondContact O-N 2.93Å; Q146-R150 PolarHBondContact O-N 2.79Å |
| 147 | L | 59.4 | Low | 61.2 | Low | 104 Ų | 104 | 132.5 Ų | 132.5 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.4 | -39.8 | 179.9 | -150 | 77.1 | 0 | 0 | 0 | 111.9 | N144 R150 H151 | N144-L147 PolarHBondContact O-N 2.81Å; L147-R150 PolarHBondContact O-N 3.04Å; L147-H151 PolarHBondContact O-N 3.43Å; L147-H151 PolarHBondContact O-ND1 3.43Å |
| 148 | R | 59.9 | Low | 61.7 | Low | 193 Ų | 193 | 131.8 Ų | 131.8 | 73% | 0.728 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.1 | -41.2 | 173.8 | -77 | -175.8 | 165.4 | -167.2 | -3.6 | 112.3 | N144 H151 F152 | N144-R148 PolarHBondContact O-N 2.76Å; N144-R148 VanDerWaalsContact O-N 3.15Å; R148-H151 PolarHBondContact O-N 3.43Å; R148-F152 PolarHBondContact O-N 2.85Å |
| 149 | T | 64.9 | Low | 62.5 | Low | 96 Ų | 96 | 132.6 Ų | 132.6 | 59% | 0.589 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.8 | -41.2 | 179.1 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | K145 Q146 F152 Y153 | K145-T149 PolarHBondContact O-N 2.98Å; K145-T149 PolarHBondContact O-OG1 3.36Å; Q146-T149 PolarHBondContact O-N 2.93Å; T149-F152 PolarHBondContact O-N 2.72Å; T149-Y153 PolarHBondContact O-N 3.39Å |
| 150 | R | 64 | Low | 63.1 | Low | 186 Ų | 186 | 130.9 Ų | 130.9 | 70% | 0.702 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.9 | -41.9 | 174.9 | -74.8 | -173.9 | 176.3 | 177.9 | 0.1 | 112.7 | Q146 L147 Y153 F154 | Q146-R150 PolarHBondContact O-N 2.79Å; L147-R150 PolarHBondContact O-N 3.04Å; R150-Y153 PolarHBondContact O-N 3.01Å; R150-F154 WeakPolarHBondContact O-CB 3.48Å; R150-F154 PolarHBondContact O-N 2.9Å |
| 151 | H | 66.3 | Low | 63.2 | Low | 120 Ų | 120 | 129.8 Ų | 129.8 | 56% | 0.556 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61 | -45 | 174.6 | -81.8 | 80.9 | 0 | 0 | 0 | 111.5 | L147 R148 Y153 F154 V155 | L147-H151 PolarHBondContact O-N 3.43Å; L147-H151 PolarHBondContact O-ND1 3.43Å; R148-H151 PolarHBondContact O-N 3.43Å; H151-Y153 PolarHBondContact O-N 2.81Å; H151-F154 PolarHBondContact O-N 2.98Å; H151-V155 WeakPolarHBondContact O-CB 3.22Å; H151-V155 VanDerWaalsContact O-CG2 3.27Å; H151-V155 WeakPolarHBondContact O-CG2 3.45Å; H151-V155 PolarHBondContact O-N 3.15Å |
| 152 | F | 71 | Confident | 63.3 | Low | 158 Ų | 158 | 124.4 Ų | 124.4 | 69% | 0.693 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.4 | -44.2 | 176.3 | -104.8 | -83.6 | 0 | 0 | 0 | 112.3 | R148 T149 F154 V155 E156 | R148-F152 PolarHBondContact O-N 2.85Å; T149-F152 PolarHBondContact O-N 2.72Å; F152-F154 VanDerWaalsContact C-N 3.35Å; F152-F154 PolarHBondContact O-N 3.22Å; F152-V155 PolarHBondContact O-N 3.27Å; F152-E156 VanDerWaalsContact O-CB 3.23Å; F152-E156 WeakPolarHBondContact O-CB 3.5Å; F152-E156 PolarHBondContact O-N 3.46Å |
| 153 | Y | 73.3 | Confident | 63.4 | Low | 173 Ų | 173 | 124.8 Ų | 124.8 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65 | -38.2 | 178.1 | -164.4 | -93.5 | 0 | 0 | 0 | 112.2 | T149 R150 H151 K157 | T149-Y153 PolarHBondContact O-N 3.39Å; R150-Y153 PolarHBondContact O-N 3.01Å; H151-Y153 PolarHBondContact O-N 2.81Å; Y153-K157 WeakPolarHBondContact O-CB 3.37Å; Y153-K157 PolarHBondContact O-N 3.01Å |
| 154 | F | 73.7 | Confident | 62.9 | Low | 131 Ų | 131 | 120.4 Ų | 120.4 | 58% | 0.575 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.2 | -48.2 | 174.9 | 177.9 | -96.6 | 0 | 0 | 0 | 112 | R150 H151 F152 E156 K157 Q158 | R150-F154 WeakPolarHBondContact O-CB 3.48Å; R150-F154 PolarHBondContact O-N 2.9Å; H151-F154 PolarHBondContact O-N 2.98Å; F152-F154 VanDerWaalsContact C-N 3.35Å; F152-F154 PolarHBondContact O-N 3.22Å; F154-E156 PolarHBondContact O-N 2.87Å; F154-K157 PolarHBondContact O-N 2.73Å; F154-Q158 VanDerWaalsContact O-CB 3.29Å; F154-Q158 WeakPolarHBondContact O-CB 3.36Å; F154-Q158 PolarHBondContact O-N 3.36Å |
| 155 | V | 74.2 | Confident | 62.4 | Low | 84 Ų | 84 | 125.3 Ų | 125.3 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.4 | -41.9 | 178.3 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | H151 F152 Q158 R159 | H151-V155 WeakPolarHBondContact O-CB 3.22Å; H151-V155 VanDerWaalsContact O-CG2 3.27Å; H151-V155 WeakPolarHBondContact O-CG2 3.45Å; H151-V155 PolarHBondContact O-N 3.15Å; F152-V155 PolarHBondContact O-N 3.27Å; V155-Q158 PolarHBondContact O-N 2.99Å; V155-R159 WeakPolarHBondContact O-CB 3.04Å; V155-R159 PolarHBondContact O-N 3.25Å |
| 156 | E | 70.7 | Confident | 62.1 | Low | 73 Ų | 73 | 121 Ų | 121 | 34% | 0.341 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.1 | -40.2 | 177.9 | -165.5 | 63.1 | -156.4 | 0 | 0 | 111.3 | F152 F154 Q158 R159 Q160 | F152-E156 VanDerWaalsContact O-CB 3.23Å; F152-E156 WeakPolarHBondContact O-CB 3.5Å; F152-E156 PolarHBondContact O-N 3.46Å; F154-E156 PolarHBondContact O-N 2.87Å; E156-Q158 VanDerWaalsContact C-N 3.34Å; E156-Q158 PolarHBondContact O-N 2.83Å; E156-R159 PolarHBondContact O-N 2.96Å; E156-R159 IonicContact OE1-NH1 3.62Å; E156-R159 IonicContact OE2-NH1 3.5Å; E156-Q160 WeakPolarHBondContact O-CB 3.45Å; E156-Q160 WeakPolarHBondContact O-CG 3.37Å; E156-Q160 PolarHBondContact O-N 3.09Å |
| 157 | K | 69 | Low | 62 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.8 | -39.2 | 172.6 | -171.8 | 177.1 | -177.9 | 180 | 0 | 111.5 | Y153 F154 Q160 M161 | Y153-K157 WeakPolarHBondContact O-CB 3.37Å; Y153-K157 PolarHBondContact O-N 3.01Å; F154-K157 PolarHBondContact O-N 2.73Å; K157-Q160 PolarHBondContact O-N 3.33Å; K157-M161 HydrophobicContact CG-CE 4.43Å; K157-M161 WeakPolarHBondContact O-CB 3.35Å; K157-M161 WeakPolarHBondContact O-CG 3.21Å; K157-M161 PolarHBondContact O-N 3.23Å |
| 158 | Q | 62.6 | Low | 61.9 | Low | 95 Ų | 95 | 120.2 Ų | 120.2 | 44% | 0.444 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66 | -40.1 | 175.3 | -175 | 176.3 | -24.1 | 0 | 0 | 111.2 | F154 V155 E156 M161 S162 | F154-Q158 VanDerWaalsContact O-CB 3.29Å; F154-Q158 WeakPolarHBondContact O-CB 3.36Å; F154-Q158 PolarHBondContact O-N 3.36Å; V155-Q158 PolarHBondContact O-N 2.99Å; E156-Q158 VanDerWaalsContact C-N 3.34Å; E156-Q158 PolarHBondContact O-N 2.83Å; Q158-M161 PolarHBondContact O-N 3.37Å; Q158-S162 WeakPolarHBondContact O-CB 3.46Å; Q158-S162 PolarHBondContact O-N 3.41Å; Q158-S162 PolarHBondContact O-OG 2.81Å |
| 159 | R | 63.8 | Low | 62.1 | Low | 153 Ų | 153 | 112.4 Ų | 112.4 | 58% | 0.577 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.4 | -41.4 | 174.2 | -178.7 | -177.9 | 158.5 | -156.9 | -1.9 | 111.9 | V155 E156 S162 S163 | V155-R159 WeakPolarHBondContact O-CB 3.04Å; V155-R159 PolarHBondContact O-N 3.25Å; E156-R159 PolarHBondContact O-N 2.96Å; E156-R159 IonicContact OE1-NH1 3.62Å; E156-R159 IonicContact OE2-NH1 3.5Å; R159-S162 CarbonylContact O-C 3.47Å; R159-S162 PolarHBondContact O-N 2.88Å; R159-S162 VanDerWaalsContact O-N 3.1Å; R159-S163 WeakPolarHBondContact O-CB 3.48Å; R159-S163 PolarHBondContact O-N 2.92Å |
| 160 | Q | 59.9 | Low | 62.1 | Low | 110 Ų | 110 | 111.7 Ų | 111.7 | 51% | 0.514 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.1 | -48.6 | 172.7 | -75 | -179.5 | 40.7 | 0 | 0 | 110 | E156 K157 S162 S163 G164 | E156-Q160 WeakPolarHBondContact O-CB 3.45Å; E156-Q160 WeakPolarHBondContact O-CG 3.37Å; E156-Q160 PolarHBondContact O-N 3.09Å; K157-Q160 PolarHBondContact O-N 3.33Å; Q160-S162 PolarHBondContact O-N 3.07Å; Q160-S162 VanDerWaalsContact O-N 3.13Å; Q160-S163 PolarHBondContact O-N 2.79Å; Q160-S163 VanDerWaalsContact O-N 3.08Å; Q160-G164 CarbonylContact O-C 3.42Å; Q160-G164 WeakPolarHBondContact O-CA 3.5Å; Q160-G164 PolarHBondContact O-N 2.78Å |
| 161 | M | 55.6 | Low | 62.2 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 56% | 0.557 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58.6 | -30 | 173.3 | -71.7 | -164.8 | -68.6 | 0 | 0 | 112.9 | K157 Q158 L166 | K157-M161 HydrophobicContact CG-CE 4.43Å; K157-M161 WeakPolarHBondContact O-CB 3.35Å; K157-M161 WeakPolarHBondContact O-CG 3.21Å; K157-M161 PolarHBondContact O-N 3.23Å; Q158-M161 PolarHBondContact O-N 3.37Å; M161-L166 WeakPolarHBondContact O-CD1 3.36Å |
| 162 | S | 57.2 | Low | 62.4 | Low | 84 Ų | 84 | 102.4 Ų | 102.4 | 59% | 0.587 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -84.6 | -21.6 | 177.9 | -52.4 | 0 | 0 | 0 | 0 | 114.1 | Q158 R159 Q160 | Q158-S162 WeakPolarHBondContact O-CB 3.46Å; Q158-S162 PolarHBondContact O-N 3.41Å; Q158-S162 PolarHBondContact O-OG 2.81Å; R159-S162 CarbonylContact O-C 3.47Å; R159-S162 PolarHBondContact O-N 2.88Å; R159-S162 VanDerWaalsContact O-N 3.1Å; Q160-S162 PolarHBondContact O-N 3.07Å; Q160-S162 VanDerWaalsContact O-N 3.13Å |
| 163 | S | 55.8 | Low | 62.8 | Low | 101 Ų | 101 | 95.7 Ų | 95.7 | 71% | 0.706 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -131.1 | -9.2 | -165.6 | -171.9 | 0 | 0 | 0 | 0 | 114.8 | R159 Q160 | R159-S163 WeakPolarHBondContact O-CB 3.48Å; R159-S163 PolarHBondContact O-N 2.92Å; Q160-S163 PolarHBondContact O-N 2.79Å; Q160-S163 VanDerWaalsContact O-N 3.08Å |
| 164 | G | 44.9 | Very low | 63 | Low | 37 Ų | 37 | 90.6 Ų | 90.6 | 38% | 0.381 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -155.6 | 130.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q160 | Q160-G164 CarbonylContact O-C 3.42Å; Q160-G164 WeakPolarHBondContact O-CA 3.5Å; Q160-G164 PolarHBondContact O-N 2.78Å |
| 165 | Q | 48.3 | Very low | 63.2 | Low | 199 Ų | 199 | 91.7 Ų | 91.7 | 93% | 0.93 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 79.2 | 6.7 | 179.5 | -62 | -172.8 | -30 | 0 | 0 | 118.9 | V167 | Q165-V167 PolarHBondContact O-N 2.8Š|
| 166 | L | 52.2 | Low | 63.5 | Low | 77 Ų | 77 | 88.6 Ų | 88.6 | 40% | 0.403 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -79.6 | 122.8 | 157.6 | -63.9 | 172.7 | 0 | 0 | 0 | 107.4 | M161 Y170 | M161-L166 WeakPolarHBondContact O-CD1 3.36Å; L166-Y170 HydrophobicContact CB-CD1 3.78Å; L166-Y170 HydrophobicContact CB-CG 4.01Å; L166-Y170 HydrophobicContact CD1-CD1 3.54Å; L166-Y170 HydrophobicContact CD1-CE1 3.72Å; L166-Y170 HydrophobicContact CD2-CD1 3.9Å; L166-Y170 HydrophobicContact CD2-CE1 3.89Å; L166-Y170 HydrophobicContact CD2-CG 4.35Å; L166-Y170 HydrophobicContact CG-CD1 3.94Å; L166-Y170 HydrophobicContact CG-CE1 4.28Å |
| 167 | V | 56.1 | Low | 64.1 | Low | 96 Ų | 96 | 85.7 Ų | 85.7 | 58% | 0.582 | 46% | 0.455 | S | S | * | . | trans | -33.7 | 133.2 | -179.7 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | Q165 G169 Y170 | Q165-V167 PolarHBondContact O-N 2.8Å; V167-G169 PolarHBondContact O-N 2.72Å; V167-Y170 WeakPolarHBondContact O-CB 3.15Å; V167-Y170 PolarHBondContact O-N 3.02Å | ||
| 168 | P | 56.1 | Low | 64.5 | Low | 127 Ų | 127 | 83.8 Ų | 83.8 | 83% | 0.825 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | 115 | 175.8 | -24.4 | 32.1 | 0 | 0 | 0 | 109.7 | ||
| 169 | G | 64.3 | Low | 65.4 | Low | 29 Ų | 29 | 83.4 Ų | 83.4 | 30% | 0.299 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | -1.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | V167 S172 F173 | V167-G169 PolarHBondContact O-N 2.72Å; G169-S172 VanDerWaalsContact CA-OG 3.28Å; G169-S172 WeakPolarHBondContact CA-OG 3.41Å; G169-S172 PolarHBondContact O-N 3.33Å; G169-S172 PolarHBondContact O-OG 3.35Å; G169-F173 VanDerWaalsContact O-CB 3.27Å; G169-F173 WeakPolarHBondContact O-CB 3.49Å; G169-F173 PolarHBondContact O-N 3.01Å |
| 170 | Y | 65.9 | Low | 66.3 | Low | 80 Ų | 80 | 76.1 Ų | 76.1 | 31% | 0.314 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.9 | -40 | 175.5 | -175.4 | -93.8 | 0 | 0 | 0 | 112.2 | L166 V167 S172 F173 L174 | L166-Y170 HydrophobicContact CB-CD1 3.78Å; L166-Y170 HydrophobicContact CB-CG 4.01Å; L166-Y170 HydrophobicContact CD1-CD1 3.54Å; L166-Y170 HydrophobicContact CD1-CE1 3.72Å; L166-Y170 HydrophobicContact CD2-CD1 3.9Å; L166-Y170 HydrophobicContact CD2-CE1 3.89Å; L166-Y170 HydrophobicContact CD2-CG 4.35Å; L166-Y170 HydrophobicContact CG-CD1 3.94Å; L166-Y170 HydrophobicContact CG-CE1 4.28Å; V167-Y170 WeakPolarHBondContact O-CB 3.15Å; V167-Y170 PolarHBondContact O-N 3.02Å; Y170-S172 VanDerWaalsContact C-N 3.34Å; Y170-S172 PolarHBondContact O-N 3.31Å; Y170-F173 WeakPolarHBondContact O-CB 3.35Å; Y170-F173 PolarHBondContact O-N 2.9Å; Y170-L174 HydrophobicContact CD1-CD1 3.79Å; Y170-L174 HydrophobicContact CD1-CG 4.04Å; Y170-L174 HydrophobicContact CE1-CD1 3.19Å; Y170-L174 HydrophobicContact CE1-CD2 4.36Å; Y170-L174 HydrophobicContact CE1-CG 3.7Å; Y170-L174 WeakPolarHBondContact O-CG 3.4Å; Y170-L174 PolarHBondContact O-N 3.26Å |
| 171 | C | 65 | Low | 67.3 | Low | 84 Ų | 84 | 78.2 Ų | 78.2 | 57% | 0.568 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.4 | -36.3 | 173.9 | -64.7 | 0 | 0 | 0 | 0 | 112 | R175 | C171-R175 VanDerWaalsContact O-CB 3.29Å; C171-R175 WeakPolarHBondContact O-CB 3.34Å; C171-R175 PolarHBondContact O-N 3.21Å |
| 172 | S | 71.9 | Confident | 68.4 | Low | 28 Ų | 28 | 80.9 Ų | 80.9 | 20% | 0.196 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -70.6 | -39.7 | 174.7 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | G169 Y170 R175 E176 T233 | G169-S172 VanDerWaalsContact CA-OG 3.28Å; G169-S172 WeakPolarHBondContact CA-OG 3.41Å; G169-S172 PolarHBondContact O-N 3.33Å; G169-S172 PolarHBondContact O-OG 3.35Å; Y170-S172 VanDerWaalsContact C-N 3.34Å; Y170-S172 PolarHBondContact O-N 3.31Å; S172-R175 PolarHBondContact O-N 3.34Å; S172-E176 WeakPolarHBondContact O-CG 3.36Å; S172-E176 PolarHBondContact O-N 3.29Å; S172-T233 WeakPolarHBondContact CB-OG1 3.24Å; S172-T233 PolarHBondContact OG-OG1 2.9Å |
| 173 | F | 78.7 | Confident | 69.2 | Low | 17 Ų | 17 | 79.9 Ų | 79.9 | 8% | 0.075 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.3 | -50.9 | 171.1 | 169.9 | -95.9 | 0 | 0 | 0 | 111.6 | G169 Y170 R175 E176 L177 I193 Q209 T233 L234 | G169-F173 VanDerWaalsContact O-CB 3.27Å; G169-F173 WeakPolarHBondContact O-CB 3.49Å; G169-F173 PolarHBondContact O-N 3.01Å; Y170-F173 WeakPolarHBondContact O-CB 3.35Å; Y170-F173 PolarHBondContact O-N 2.9Å; F173-R175 VanDerWaalsContact C-N 3.32Å; F173-R175 PolarHBondContact O-N 3.22Å; F173-E176 PolarHBondContact O-N 3.48Å; F173-L177 HydrophobicContact CE1-CD2 3.96Å; F173-L177 HydrophobicContact CZ-CD2 4.14Å; F173-L177 WeakPolarHBondContact O-CB 3.41Å; F173-L177 PolarHBondContact O-N 3.08Å; F173-I193 HydrophobicContact CZ-CD1 4.18Å; F173-Q209 HydrophobicContact CB-CG 4.36Å; F173-Q209 HydrophobicContact CD2-CB 3.68Å; F173-Q209 HydrophobicContact CD2-CG 3.7Å; F173-Q209 HydrophobicContact CE2-CB 3.7Å; F173-Q209 HydrophobicContact CE2-CG 4.25Å; F173-Q209 HydrophobicContact CG-CB 4.39Å; F173-Q209 HydrophobicContact CG-CG 4.09Å; F173-Q209 HydrophobicContact CZ-CB 4.42Å; F173-T233 HydrophobicContact CB-CG2 3.97Å; F173-L234 HydrophobicContact CD2-CD2 3.35Å; F173-L234 HydrophobicContact CE2-CD2 3.28Å; F173-L234 HydrophobicContact CG-CD2 4.35Å; F173-L234 HydrophobicContact CZ-CD2 4.25Å |
| 174 | L | 76.5 | Confident | 70.2 | Confident | 66 Ų | 66 | 76.2 Ų | 76.2 | 35% | 0.346 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | 179.6 | -74.2 | -172.4 | 0 | 0 | 0 | 112.4 | Y170 L177 T178 | Y170-L174 HydrophobicContact CD1-CD1 3.79Å; Y170-L174 HydrophobicContact CD1-CG 4.04Å; Y170-L174 HydrophobicContact CE1-CD1 3.19Å; Y170-L174 HydrophobicContact CE1-CD2 4.36Å; Y170-L174 HydrophobicContact CE1-CG 3.7Å; Y170-L174 WeakPolarHBondContact O-CG 3.4Å; Y170-L174 PolarHBondContact O-N 3.26Å; L174-L177 HydrophobicContact CD2-CD2 4.34Å; L174-L177 PolarHBondContact O-N 3.48Å; L174-T178 WeakPolarHBondContact O-CB 3.49Å; L174-T178 PolarHBondContact O-N 3.23Å; L174-T178 PolarHBondContact O-OG1 3.07Å |
| 175 | R | 78.3 | Confident | 71.7 | Confident | 153 Ų | 153 | 78.4 Ų | 78.4 | 58% | 0.577 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.8 | -51.6 | 174.9 | 178.2 | -178.2 | 59.2 | 173.4 | -1 | 111.2 | C171 S172 F173 L177 T178 E179 | C171-R175 VanDerWaalsContact O-CB 3.29Å; C171-R175 WeakPolarHBondContact O-CB 3.34Å; C171-R175 PolarHBondContact O-N 3.21Å; S172-R175 PolarHBondContact O-N 3.34Å; F173-R175 VanDerWaalsContact C-N 3.32Å; F173-R175 PolarHBondContact O-N 3.22Å; R175-L177 VanDerWaalsContact C-N 3.3Å; R175-L177 PolarHBondContact O-N 2.9Å; R175-T178 WeakPolarHBondContact O-CB 3.28Å; R175-T178 PolarHBondContact O-N 3.17Å; R175-T178 VanDerWaalsContact O-N 3.15Å; R175-E179 PolarHBondContact O-N 3.13Å |
| 176 | E | 81.5 | Confident | 73.2 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 176.3 | -73.2 | 178.3 | -139.5 | 0 | 0 | 111.4 | S172 F173 T178 E179 L180 S232 T233 L234 | S172-E176 WeakPolarHBondContact O-CG 3.36Å; S172-E176 PolarHBondContact O-N 3.29Å; F173-E176 PolarHBondContact O-N 3.48Å; E176-T178 VanDerWaalsContact C-N 3.28Å; E176-T178 PolarHBondContact O-N 3.42Å; E176-E179 PolarHBondContact O-N 2.92Å; E176-L180 WeakPolarHBondContact O-CB 3.37Å; E176-L180 PolarHBondContact O-N 3.27Å; E176-S232 WeakPolarHBondContact OE2-CA 3.12Å; E176-S232 WeakPolarHBondContact OE2-CB 3.11Å; E176-T233 VanDerWaalsContact CD-N 3.28Å; E176-T233 WeakPolarHBondContact OE1-CB 3.23Å; E176-T233 PolarHBondContact OE1-N 3.49Å; E176-T233 PolarHBondContact OE1-OG1 2.84Å; E176-T233 PolarHBondContact OE2-N 3.25Å; E176-L234 HydrophobicContact CB-CD1 3.54Å; E176-L234 HydrophobicContact CB-CG 3.64Å; E176-L234 WeakPolarHBondContact OE2-CG 3.49Å; E176-L234 PolarHBondContact OE2-N 2.92Å |
| 177 | L | 82.2 | Confident | 74.4 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.3 | -34.2 | 175.8 | -172.6 | 69.4 | 0 | 0 | 0 | 111.8 | F173 L174 R175 L180 R181 L186 I193 V207 | F173-L177 HydrophobicContact CE1-CD2 3.96Å; F173-L177 HydrophobicContact CZ-CD2 4.14Å; F173-L177 WeakPolarHBondContact O-CB 3.41Å; F173-L177 PolarHBondContact O-N 3.08Å; L174-L177 HydrophobicContact CD2-CD2 4.34Å; L174-L177 PolarHBondContact O-N 3.48Å; R175-L177 VanDerWaalsContact C-N 3.3Å; R175-L177 PolarHBondContact O-N 2.9Å; L177-L180 HydrophobicContact CD1-CD2 4.24Å; L177-R181 WeakPolarHBondContact O-CB 3.42Å; L177-R181 PolarHBondContact O-N 2.82Å; L177-L186 HydrophobicContact CD1-CD1 3.82Å; L177-I193 HydrophobicContact CD1-CD1 3.95Å; L177-I193 HydrophobicContact CD1-CG2 4.44Å; L177-I193 HydrophobicContact CD2-CD1 3.85Å; L177-V207 HydrophobicContact CD1-CG1 4.28Å |
| 178 | T | 78 | Confident | 75.5 | Confident | 78 Ų | 78 | 74.3 Ų | 74.3 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 174.6 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | L174 R175 E176 R181 K182 | L174-T178 WeakPolarHBondContact O-CB 3.49Å; L174-T178 PolarHBondContact O-N 3.23Å; L174-T178 PolarHBondContact O-OG1 3.07Å; R175-T178 WeakPolarHBondContact O-CB 3.28Å; R175-T178 PolarHBondContact O-N 3.17Å; R175-T178 VanDerWaalsContact O-N 3.15Å; E176-T178 VanDerWaalsContact C-N 3.28Å; E176-T178 PolarHBondContact O-N 3.42Å; T178-R181 PolarHBondContact O-N 2.99Å; T178-K182 WeakPolarHBondContact O-CG 3.45Å; T178-K182 PolarHBondContact O-N 3.5Å |
| 179 | E | 82.2 | Confident | 76.2 | Confident | 87 Ų | 87 | 69.4 Ų | 69.4 | 41% | 0.407 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 173.4 | -71.6 | 171.9 | -177.6 | 0 | 0 | 111.7 | R175 E176 R181 K182 W284 | R175-E179 PolarHBondContact O-N 3.13Å; E176-E179 PolarHBondContact O-N 2.92Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 2.85Å; E179-K182 WeakPolarHBondContact O-CB 3.25Å; E179-K182 PolarHBondContact O-N 2.78Å; E179-K182 VanDerWaalsContact O-N 3.07Å; E179-W284 HydrophobicContact CB-CH2 4.13Å; E179-W284 HydrophobicContact CB-CZ2 3.78Å |
| 180 | L | 82.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 175.1 | -178.1 | 70.1 | 0 | 0 | 0 | 111.3 | E176 L177 K182 G183 W184 L186 F205 V207 L234 I236 W284 L288 | E176-L180 WeakPolarHBondContact O-CB 3.37Å; E176-L180 PolarHBondContact O-N 3.27Å; L177-L180 HydrophobicContact CD1-CD2 4.24Å; L180-K182 PolarHBondContact O-N 2.75Å; L180-G183 PolarHBondContact O-N 2.81Å; L180-W184 HydrophobicContact CD1-CB 4.11Å; L180-W184 HydrophobicContact CD1-CG 3.9Å; L180-W184 HydrophobicContact CG-CB 4.4Å; L180-W184 WeakPolarHBondContact O-CB 3.48Å; L180-W184 PolarHBondContact O-N 3.24Å; L180-L186 HydrophobicContact CB-CD1 4.31Å; L180-L186 HydrophobicContact CD2-CD1 3.69Å; L180-L186 HydrophobicContact CD2-CD2 3.71Å; L180-L186 HydrophobicContact CD2-CG 4.32Å; L180-L186 HydrophobicContact CG-CD1 3.87Å; L180-L186 HydrophobicContact CG-CD2 4.01Å; L180-L186 HydrophobicContact CG-CG 4.4Å; L180-F205 HydrophobicContact CD1-CE2 4.31Å; L180-F205 HydrophobicContact CD1-CZ 4.2Å; L180-F205 HydrophobicContact CD2-CE2 4.2Å; L180-V207 HydrophobicContact CD2-CG1 4.28Å; L180-V207 HydrophobicContact CD2-CG2 3.72Å; L180-L234 HydrophobicContact CB-CD1 4.32Å; L180-L234 HydrophobicContact CD2-CD1 4.23Å; L180-I236 HydrophobicContact CD1-CD1 4.3Å; L180-W284 HydrophobicContact CB-CE3 4.41Å; L180-W284 HydrophobicContact CB-CH2 4.03Å; L180-W284 HydrophobicContact CB-CZ2 4.37Å; L180-W284 HydrophobicContact CB-CZ3 4.05Å; L180-W284 HydrophobicContact CD1-CD2 4.3Å; L180-W284 HydrophobicContact CD1-CE3 3.42Å; L180-W284 VanDerWaalsContact CD1-CE3 3.42Å; L180-W284 HydrophobicContact CD1-CH2 4.25Å; L180-W284 HydrophobicContact CD1-CZ3 3.41Å; L180-W284 VanDerWaalsContact CD1-CZ3 3.41Å; L180-W284 HydrophobicContact CG-CE3 4.48Å; L180-W284 HydrophobicContact CG-CZ3 4.33Å; L180-L288 HydrophobicContact CD1-CD1 3.36Å |
| 181 | R | 79.7 | Confident | 76.9 | Confident | 155 Ų | 155 | 81.9 Ų | 81.9 | 59% | 0.585 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.1 | -21.6 | 178.2 | -178.4 | 174.6 | -82.5 | 136.5 | -5.9 | 113.6 | L177 T178 E179 G183 L186 | L177-R181 WeakPolarHBondContact O-CB 3.42Å; L177-R181 PolarHBondContact O-N 2.82Å; T178-R181 PolarHBondContact O-N 2.99Å; E179-R181 VanDerWaalsContact C-N 3.31Å; E179-R181 PolarHBondContact O-N 2.85Å; R181-G183 VanDerWaalsContact C-N 3.33Å; R181-L186 HydrophobicContact CB-CD1 4.12Å |
| 182 | K | 78.6 | Confident | 77.5 | Confident | 169 Ų | 169 | 79.9 Ų | 79.9 | 74% | 0.735 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.5 | -31.7 | 177.5 | -67.5 | 175.5 | -177.4 | 175.8 | 0 | 112.7 | T178 E179 L180 | T178-K182 WeakPolarHBondContact O-CG 3.45Å; T178-K182 PolarHBondContact O-N 3.5Å; E179-K182 WeakPolarHBondContact O-CB 3.25Å; E179-K182 PolarHBondContact O-N 2.78Å; E179-K182 VanDerWaalsContact O-N 3.07Å; L180-K182 PolarHBondContact O-N 2.75Å |
| 183 | G | 75.1 | Confident | 77.9 | Confident | 62 Ų | 62 | 80.1 Ų | 80.1 | 64% | 0.639 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -113.6 | -21.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | L180 R181 | L180-G183 PolarHBondContact O-N 2.81Å; R181-G183 VanDerWaalsContact C-N 3.33Å |
| 184 | W | 77.4 | Confident | 78.1 | Confident | 25 Ų | 25 | 80.5 Ų | 80.5 | 10% | 0.095 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -125.7 | 142.8 | -170.7 | -56.2 | 86.4 | 0 | 0 | 0 | 111.5 | L180 L186 L197 F205 L288 Q292 | L180-W184 HydrophobicContact CD1-CB 4.11Å; L180-W184 HydrophobicContact CD1-CG 3.9Å; L180-W184 HydrophobicContact CG-CB 4.4Å; L180-W184 WeakPolarHBondContact O-CB 3.48Å; L180-W184 PolarHBondContact O-N 3.24Å; W184-L186 HydrophobicContact CB-CD2 4.46Å; W184-L186 PolarHBondContact O-N 2.96Å; W184-L197 HydrophobicContact CE3-CD2 4.07Å; W184-L197 HydrophobicContact CH2-CD2 4.02Å; W184-L197 HydrophobicContact CZ3-CB 4.39Å; W184-L197 HydrophobicContact CZ3-CD2 3.39Å; W184-L197 HydrophobicContact CZ3-CG 4.43Å; W184-F205 HydrophobicContact CB-CE1 4.39Å; W184-F205 HydrophobicContact CB-CZ 4Å; W184-F205 HydrophobicContact CD2-CE1 4.48Å; W184-F205 HydrophobicContact CD2-CZ 4.49Å; W184-F205 AromaticContact CE3-CE1 4Å; W184-F205 HydrophobicContact CE3-CE1 4Å; W184-F205 HydrophobicContact CE3-CZ 4.45Å; W184-F205 HydrophobicContact CG-CZ 4.31Å; W184-L288 HydrophobicContact CD2-CB 4.36Å; W184-L288 HydrophobicContact CD2-CD1 3.74Å; W184-L288 HydrophobicContact CE3-CD1 4.34Å; W184-L288 HydrophobicContact CG-CD1 3.97Å; W184-L288 HydrophobicContact CH2-CB 3.4Å; W184-L288 VanDerWaalsContact CH2-CB 3.4Å; W184-L288 HydrophobicContact CH2-CG 4.44Å; W184-L288 WeakPolarHBondContact CH2-O 3.28Å; W184-L288 HydrophobicContact CZ2-CB 3.22Å; W184-L288 HydrophobicContact CZ2-CD1 4.01Å; W184-L288 HydrophobicContact CZ2-CG 4.24Å; W184-L288 HydrophobicContact CZ3-CB 4.1Å; W184-Q292 HydrophobicContact CH2-CB 4.27Å; W184-Q292 HydrophobicContact CH2-CG 3.42Å; W184-Q292 VanDerWaalsContact CH2-CG 3.42Å; W184-Q292 HydrophobicContact CZ3-CG 3.61Å |
| 185 | R | 75.2 | Confident | 78.3 | Confident | 82 Ų | 82 | 77.4 Ų | 77.4 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.6 | -179.6 | -46.7 | -180 | 69.6 | -157.4 | -2.6 | 108.3 | E29 G195 D196 | E29-R185 VanDerWaalsContact O-CZ 3.26Å; E29-R185 PolarHBondContact O-NH1 3.09Å; E29-R185 PolarHBondContact O-NH2 3.36Å; R185-G195 CarbonylContact O-C 3.49Å; R185-G195 WeakPolarHBondContact O-CA 3.35Å; R185-D196 HydrophobicContact CB-CB 4.15Å; R185-D196 IonicContact NH1-OD2 3.02Å; R185-D196 PolarHBondContact O-N 3.19Å |
| 186 | L | 80.6 | Confident | 78.4 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.4 | -177.3 | -53.9 | 178 | 0 | 0 | 0 | 111.3 | L177 L180 R181 W184 I193 L194 F205 V207 | L177-L186 HydrophobicContact CD1-CD1 3.82Å; L180-L186 HydrophobicContact CB-CD1 4.31Å; L180-L186 HydrophobicContact CD2-CD1 3.69Å; L180-L186 HydrophobicContact CD2-CD2 3.71Å; L180-L186 HydrophobicContact CD2-CG 4.32Å; L180-L186 HydrophobicContact CG-CD1 3.87Å; L180-L186 HydrophobicContact CG-CD2 4.01Å; L180-L186 HydrophobicContact CG-CG 4.4Å; R181-L186 HydrophobicContact CB-CD1 4.12Å; W184-L186 HydrophobicContact CB-CD2 4.46Å; W184-L186 PolarHBondContact O-N 2.96Å; L186-I193 HydrophobicContact CB-CG2 4.21Å; L186-L194 CarbonylContact C-O 3.59Å; L186-L194 VanDerWaalsContact CA-O 3.28Å; L186-L194 WeakPolarHBondContact CA-O 3.45Å; L186-F205 HydrophobicContact CD2-CE2 4.11Å; L186-F205 HydrophobicContact CD2-CZ 3.8Å; L186-V207 HydrophobicContact CD2-CG2 4.46Å |
| 187 | K | 76.7 | Confident | 78.1 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 37% | 0.365 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126 | 174.1 | -178.7 | 164.6 | 176.7 | 169.2 | 0 | 110 | V26 A27 L194 | V26-K187 HydrophobicContact CG1-CD 3.56Å; V26-K187 VanDerWaalsContact CG1-CE 3.41Å; V26-K187 HydrophobicContact CG1-CG 4.5Å; A27-K187 PolarHBondContact O-NZ 3.3Å; K187-L194 PolarHBondContact N-O 2.93Å; K187-L194 PolarHBondContact O-N 3.34Å |
| 188 | K | 78.7 | Confident | 77.3 | Confident | 170 Ų | 170 | 71.3 Ų | 71.3 | 74% | 0.739 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 123.1 | 171.9 | -173 | -177.3 | 176.9 | -173.3 | 0 | 108.9 | R190 | K188-R190 WeakPolarHBondContact CE-O 3.36Å |
| 189 | A | 71.7 | Confident | 76.3 | Confident | 23 Ų | 23 | 72 Ų | 72 | 19% | 0.19 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 108.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | N191 I192 L194 | A189-N191 PolarHBondContact O-N 3.32Å; A189-N191 VanDerWaalsContact O-N 3.09Å; A189-I192 CarbonylContact C-O 3.44Å; A189-I192 HydrophobicContact CB-CG1 4.24Å; A189-I192 PolarHBondContact N-O 2.8Å; A189-I192 WeakPolarHBondContact O-CG1 3.44Å; A189-I192 PolarHBondContact O-N 3.05Å; A189-I192 VanDerWaalsContact O-O 3.08Å; A189-L194 HydrophobicContact CB-CD1 3.94Å |
| 190 | R | 71.5 | Confident | 75 | Confident | 204 Ų | 204 | 79.2 Ų | 79.2 | 77% | 0.77 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -113.6 | -173.7 | -59.8 | 179.4 | 176.7 | -174.1 | -3.6 | 111.5 | K188 | K188-R190 WeakPolarHBondContact CE-O 3.36Š|
| 191 | N | 74 | Confident | 73.4 | Confident | 168 Ų | 168 | 83.1 Ų | 83.1 | 90% | 0.898 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 7.6 | -178.1 | -65.6 | -10.6 | 0 | 0 | 0 | 113.2 | A189 | A189-N191 PolarHBondContact O-N 3.32Å; A189-N191 VanDerWaalsContact O-N 3.09Å |
| 192 | I | 77.2 | Confident | 71.9 | Confident | 41 Ų | 41 | 82.2 Ų | 82.2 | 21% | 0.21 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 147.1 | 179.9 | 60.4 | 167.1 | 0 | 0 | 0 | 110.9 | A189 L194 L206 | A189-I192 CarbonylContact C-O 3.44Å; A189-I192 HydrophobicContact CB-CG1 4.24Å; A189-I192 PolarHBondContact N-O 2.8Å; A189-I192 WeakPolarHBondContact O-CG1 3.44Å; A189-I192 PolarHBondContact O-N 3.05Å; A189-I192 VanDerWaalsContact O-O 3.08Å; I192-L194 HydrophobicContact CD1-CD1 4.45Å; I192-L194 HydrophobicContact CD1-CD2 3.93Å; I192-L194 HydrophobicContact CD1-CG 4.13Å; I192-L206 HydrophobicContact CB-CD1 4.07Å; I192-L206 HydrophobicContact CB-CG 4.41Å; I192-L206 HydrophobicContact CD1-CD1 3.78Å; I192-L206 HydrophobicContact CG2-CD1 4.09Å |
| 193 | I | 80 | Confident | 71 | Confident | 33 Ų | 33 | 76 Ų | 76 | 17% | 0.169 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.7 | 171.2 | -61.8 | 171.3 | 0 | 0 | 0 | 106.4 | F173 L177 L186 V207 | F173-I193 HydrophobicContact CZ-CD1 4.18Å; L177-I193 HydrophobicContact CD1-CD1 3.95Å; L177-I193 HydrophobicContact CD1-CG2 4.44Å; L177-I193 HydrophobicContact CD2-CD1 3.85Å; L186-I193 HydrophobicContact CB-CG2 4.21Å; I193-V207 HydrophobicContact CB-CB 4.02Å; I193-V207 HydrophobicContact CG2-CB 4.09Å; I193-V207 HydrophobicContact CG2-CG2 4.3Å; I193-V207 PolarHBondContact O-N 3.01Å |
| 194 | L | 81.5 | Confident | 70.4 | Confident | 26 Ų | 26 | 75 Ų | 75 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 142.5 | 173.7 | -64.5 | 170.2 | 0 | 0 | 0 | 108.4 | V26 L186 K187 A189 I192 F205 L206 | V26-L194 HydrophobicContact CB-CD1 4.48Å; V26-L194 HydrophobicContact CG1-CD1 4.4Å; V26-L194 HydrophobicContact CG2-CD1 4.31Å; L186-L194 CarbonylContact C-O 3.59Å; L186-L194 VanDerWaalsContact CA-O 3.28Å; L186-L194 WeakPolarHBondContact CA-O 3.45Å; K187-L194 PolarHBondContact N-O 2.93Å; K187-L194 PolarHBondContact O-N 3.34Å; A189-L194 HydrophobicContact CB-CD1 3.94Å; I192-L194 HydrophobicContact CD1-CD1 4.45Å; I192-L194 HydrophobicContact CD1-CD2 3.93Å; I192-L194 HydrophobicContact CD1-CG 4.13Å; L194-F205 CarbonylContact C-O 3.48Å; L194-F205 WeakPolarHBondContact CA-O 3.44Å; L194-L206 HydrophobicContact CD2-CB 4.39Å; L194-L206 HydrophobicContact CD2-CD1 4.34Å |
| 195 | G | 81.9 | Confident | 70 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 155 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R185 A204 F205 | R185-G195 CarbonylContact O-C 3.49Å; R185-G195 WeakPolarHBondContact O-CA 3.35Å; G195-A204 CarbonylContact O-C 3.56Å; G195-A204 WeakPolarHBondContact O-CA 3.46Å; G195-F205 VanDerWaalsContact CA-CE1 3.44Å; G195-F205 PolarHBondContact N-O 3.39Å; G195-F205 VanDerWaalsContact O-CD1 3.23Å; G195-F205 WeakPolarHBondContact O-CD1 3.43Å; G195-F205 PolarHBondContact O-N 3Å |
| 196 | D | 80 | Confident | 69.5 | Low | 28 Ų | 28 | 71.4 Ų | 71.4 | 15% | 0.15 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.5 | 174.5 | -175.5 | 9.4 | 0 | 0 | 0 | 110 | I28 R185 G198 | I28-D196 HydrophobicContact CD1-CB 3.95Å; I28-D196 HydrophobicContact CG2-CB 4.5Å; R185-D196 HydrophobicContact CB-CB 4.15Å; R185-D196 IonicContact NH1-OD2 3.02Å; R185-D196 PolarHBondContact O-N 3.19Å; D196-G198 VanDerWaalsContact C-N 3.34Å; D196-G198 PolarHBondContact OD1-N 3.49Å |
| 197 | L | 75.8 | Confident | 69.1 | Low | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | trans | -80.6 | -14.3 | 176.6 | -72.5 | 171.2 | 0 | 0 | 0 | 113.6 | W184 N203 F205 L238 L242 L288 A291 Q292 | W184-L197 HydrophobicContact CE3-CD2 4.07Å; W184-L197 HydrophobicContact CH2-CD2 4.02Å; W184-L197 HydrophobicContact CZ3-CB 4.39Å; W184-L197 HydrophobicContact CZ3-CD2 3.39Å; W184-L197 HydrophobicContact CZ3-CG 4.43Å; L197-N203 HydrophobicContact CB-CB 4.15Å; L197-N203 PolarHBondContact N-O 3.48Å; L197-F205 HydrophobicContact CD2-CD1 3.76Å; L197-F205 HydrophobicContact CD2-CE1 4.11Å; L197-F205 HydrophobicContact CD2-CG 4.49Å; L197-F205 HydrophobicContact CG-CD1 3.75Å; L197-F205 HydrophobicContact CG-CE1 4.4Å; L197-L238 HydrophobicContact CD1-CD2 3.78Å; L197-L238 HydrophobicContact CD2-CD2 4.38Å; L197-L242 HydrophobicContact CD1-CD1 3.46Å; L197-L242 VanDerWaalsContact CD1-CD1 3.46Å; L197-L288 HydrophobicContact CD2-CB 4.39Å; L197-L288 HydrophobicContact CD2-CD2 3.52Å; L197-A291 HydrophobicContact CD1-CB 3.95Å; L197-A291 HydrophobicContact CD2-CB 4.16Å; L197-Q292 VanDerWaalsContact O-CG 3.24Å; L197-Q292 WeakPolarHBondContact O-CG 3.29Å; L197-Q292 PolarHBondContact O-NE2 3.09Å | ||
| 198 | G | 64.1 | Low | 68.8 | Low | 29 Ų | 29 | 70.6 Ų | 70.6 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | trans | 69.1 | 108.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D196 | D196-G198 VanDerWaalsContact C-N 3.34Å; D196-G198 PolarHBondContact OD1-N 3.49Å | ||
| 199 | F | 57.5 | Low | 68 | Low | 91 Ų | 91 | 66 Ų | 66 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 170.1 | 103.5 | 146.4 | -94.8 | -72.3 | 0 | 0 | 0 | 105.4 | S201 L295 L296 E299 | F199-S201 PolarHBondContact O-N 3.06Å; F199-L295 HydrophobicContact CB-CD2 3.87Å; F199-L295 HydrophobicContact CB-CG 4.21Å; F199-L296 HydrophobicContact CE1-CD1 4.27Å; F199-L296 HydrophobicContact CE2-CB 4.3Å; F199-L296 HydrophobicContact CE2-CD1 4.01Å; F199-L296 HydrophobicContact CZ-CD1 3.79Å; F199-E299 HydrophobicContact CB-CG 4.33Å; F199-E299 VanDerWaalsContact CD1-OE2 3.29Å; F199-E299 WeakPolarHBondContact CD1-OE2 3.4Å |
| 200 | R | 54.9 | Low | 67.4 | Low | 239 Ų | 239 | 69.7 Ų | 69.7 | 90% | 0.902 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 38.5 | -2.2 | 170.3 | -66.8 | -164.7 | 172 | -143.8 | -1.5 | 122 | ||
| 201 | S | 49.4 | Very low | 66.4 | Low | 83 Ų | 83 | 64 Ų | 64 | 58% | 0.58 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -158.3 | 113.3 | 179.8 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | F199 N203 | F199-S201 PolarHBondContact O-N 3.06Å; S201-N203 VanDerWaalsContact C-N 3.33Å; S201-N203 PolarHBondContact O-N 3.39Å; S201-N203 PolarHBondContact O-ND2 2.93Å |
| 202 | C | 48.6 | Very low | 65 | Low | 135 Ų | 135 | 60.2 Ų | 60.2 | 91% | 0.912 | 34% | 0.341 | S | S | * | . | trans | 22.1 | 53.5 | 158.4 | -58.3 | 0 | 0 | 0 | 0 | 118.8 | A204 | C202-A204 PolarHBondContact O-N 3.14Š| ||
| 203 | N | 59.9 | Low | 63.1 | Low | 38 Ų | 38 | 64 Ų | 64 | 20% | 0.203 | 37% | 0.366 | C | S | . | . | trans | -101.2 | 75.8 | 176.4 | -68.2 | -50.1 | 0 | 0 | 0 | 109.6 | L197 S201 L295 | L197-N203 HydrophobicContact CB-CB 4.15Å; L197-N203 PolarHBondContact N-O 3.48Å; S201-N203 VanDerWaalsContact C-N 3.33Å; S201-N203 PolarHBondContact O-N 3.39Å; S201-N203 PolarHBondContact O-ND2 2.93Å; N203-L295 HydrophobicContact CB-CD2 4Å; N203-L295 WeakPolarHBondContact ND2-CD1 3.38Å; N203-L295 WeakPolarHBondContact ND2-CD2 3.38Å | ||
| 204 | A | 61.8 | Low | 60.9 | Low | 41 Ų | 41 | 68.1 Ų | 68.1 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G195 C202 | G195-A204 CarbonylContact O-C 3.56Å; G195-A204 WeakPolarHBondContact O-CA 3.46Å; C202-A204 PolarHBondContact O-N 3.14Å |
| 205 | F | 69.1 | Low | 58.9 | Low | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.009 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 158.2 | 164.2 | 67 | -87.5 | 0 | 0 | 0 | 109.8 | L180 W184 L186 L194 G195 L197 V207 I236 L238 L288 | L180-F205 HydrophobicContact CD1-CE2 4.31Å; L180-F205 HydrophobicContact CD1-CZ 4.2Å; L180-F205 HydrophobicContact CD2-CE2 4.2Å; W184-F205 HydrophobicContact CB-CE1 4.39Å; W184-F205 HydrophobicContact CB-CZ 4Å; W184-F205 HydrophobicContact CD2-CE1 4.48Å; W184-F205 HydrophobicContact CD2-CZ 4.49Å; W184-F205 AromaticContact CE3-CE1 4Å; W184-F205 HydrophobicContact CE3-CE1 4Å; W184-F205 HydrophobicContact CE3-CZ 4.45Å; W184-F205 HydrophobicContact CG-CZ 4.31Å; L186-F205 HydrophobicContact CD2-CE2 4.11Å; L186-F205 HydrophobicContact CD2-CZ 3.8Å; L194-F205 CarbonylContact C-O 3.48Å; L194-F205 WeakPolarHBondContact CA-O 3.44Å; G195-F205 VanDerWaalsContact CA-CE1 3.44Å; G195-F205 PolarHBondContact N-O 3.39Å; G195-F205 VanDerWaalsContact O-CD1 3.23Å; G195-F205 WeakPolarHBondContact O-CD1 3.43Å; G195-F205 PolarHBondContact O-N 3Å; L197-F205 HydrophobicContact CD2-CD1 3.76Å; L197-F205 HydrophobicContact CD2-CE1 4.11Å; L197-F205 HydrophobicContact CD2-CG 4.49Å; L197-F205 HydrophobicContact CG-CD1 3.75Å; L197-F205 HydrophobicContact CG-CE1 4.4Å; F205-V207 HydrophobicContact CD2-CG2 3.75Å; F205-V207 HydrophobicContact CE2-CG2 3.46Å; F205-V207 VanDerWaalsContact CE2-CG2 3.46Å; F205-I236 HydrophobicContact CB-CG2 4.33Å; F205-I236 HydrophobicContact CD2-CD1 4.34Å; F205-I236 HydrophobicContact CD2-CG2 3.83Å; F205-I236 HydrophobicContact CE2-CD1 4.09Å; F205-I236 HydrophobicContact CG-CG2 4.41Å; F205-L238 HydrophobicContact CB-CD2 3.85Å; F205-L288 HydrophobicContact CB-CD2 4.46Å; F205-L288 HydrophobicContact CD1-CD2 3.96Å; F205-L288 HydrophobicContact CD2-CD2 3.86Å; F205-L288 HydrophobicContact CE1-CD2 3.97Å; F205-L288 HydrophobicContact CE2-CD1 4.08Å; F205-L288 HydrophobicContact CE2-CD2 3.89Å; F205-L288 HydrophobicContact CG-CD2 3.86Å; F205-L288 HydrophobicContact CZ-CD1 3.89Å; F205-L288 HydrophobicContact CZ-CD2 3.93Å |
| 206 | L | 65.5 | Low | 56.5 | Low | 30 Ų | 30 | 78.4 Ų | 78.4 | 16% | 0.157 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.9 | -179.8 | -175.9 | 151.4 | 0 | 0 | 0 | 109.9 | I192 L194 K208 I236 M237 | I192-L206 HydrophobicContact CB-CD1 4.07Å; I192-L206 HydrophobicContact CB-CG 4.41Å; I192-L206 HydrophobicContact CD1-CD1 3.78Å; I192-L206 HydrophobicContact CG2-CD1 4.09Å; L194-L206 HydrophobicContact CD2-CB 4.39Å; L194-L206 HydrophobicContact CD2-CD1 4.34Å; L206-K208 HydrophobicContact CD2-CD 3.85Å; L206-K208 HydrophobicContact CD2-CG 3.54Å; L206-I236 WeakPolarHBondContact O-CA 3.18Å; L206-M237 HydrophobicContact CB-CB 4.22Å; L206-M237 HydrophobicContact CD2-CB 4.34Å; L206-M237 PolarHBondContact N-O 2.98Å; L206-M237 PolarHBondContact O-N 3.22Å |
| 207 | V | 71.3 | Confident | 54.5 | Low | 4 Ų | 4 | 81.6 Ų | 81.6 | 2% | 0.024 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.2 | -179.1 | -177 | 0 | 0 | 0 | 0 | 108.8 | L177 L180 L186 I193 F205 L234 | L177-V207 HydrophobicContact CD1-CG1 4.28Å; L180-V207 HydrophobicContact CD2-CG1 4.28Å; L180-V207 HydrophobicContact CD2-CG2 3.72Å; L186-V207 HydrophobicContact CD2-CG2 4.46Å; I193-V207 HydrophobicContact CB-CB 4.02Å; I193-V207 HydrophobicContact CG2-CB 4.09Å; I193-V207 HydrophobicContact CG2-CG2 4.3Å; I193-V207 PolarHBondContact O-N 3.01Å; F205-V207 HydrophobicContact CD2-CG2 3.75Å; F205-V207 HydrophobicContact CE2-CG2 3.46Å; F205-V207 VanDerWaalsContact CE2-CG2 3.46Å; V207-L234 HydrophobicContact CG1-CD2 3.84Å |
| 208 | K | 70.3 | Confident | 52.4 | Low | 96 Ų | 96 | 87.5 Ų | 87.5 | 42% | 0.417 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 151.7 | 173.3 | -76.9 | 177 | 178.6 | -172.3 | 0 | 110.1 | L206 E235 M237 | L206-K208 HydrophobicContact CD2-CD 3.85Å; L206-K208 HydrophobicContact CD2-CG 3.54Å; K208-E235 HydrophobicContact CB-CB 4.46Å; K208-E235 PolarHBondContact N-O 3.33Å; K208-E235 PolarHBondContact O-N 3.13Å; K208-M237 HydrophobicContact CD-CE 4.41Å |
| 209 | Q | 61.7 | Low | 50.8 | Low | 74 Ų | 74 | 89.6 Ų | 89.6 | 35% | 0.346 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.9 | 129.5 | 164.5 | -173.7 | 173.1 | 7.5 | 0 | 0 | 108 | F173 A211 | F173-Q209 HydrophobicContact CB-CG 4.36Å; F173-Q209 HydrophobicContact CD2-CB 3.68Å; F173-Q209 HydrophobicContact CD2-CG 3.7Å; F173-Q209 HydrophobicContact CE2-CB 3.7Å; F173-Q209 HydrophobicContact CE2-CG 4.25Å; F173-Q209 HydrophobicContact CG-CB 4.39Å; F173-Q209 HydrophobicContact CG-CG 4.09Å; F173-Q209 HydrophobicContact CZ-CB 4.42Å; Q209-A211 PolarHBondContact O-N 3.44Å; Q209-A211 VanDerWaalsContact O-N 3.14Å |
| 210 | Q | 60 | Low | 49.8 | Very low | 101 Ų | 101 | 91.9 Ų | 91.9 | 47% | 0.472 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 116.8 | 174.4 | -166.8 | 172.7 | 28.2 | 0 | 0 | 108.6 | A212 S232 T233 | Q210-A212 PolarHBondContact O-N 3.35Å; Q210-S232 PolarHBondContact OE1-O 3.48Å; Q210-T233 WeakPolarHBondContact CB-O 3.38Å; Q210-T233 PolarHBondContact N-O 2.86Å |
| 211 | A | 50.3 | Low | 48.8 | Very low | 84 Ų | 84 | 86.3 Ų | 86.3 | 69% | 0.694 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -66 | 118.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q209 T213 | Q209-A211 PolarHBondContact O-N 3.44Å; Q209-A211 VanDerWaalsContact O-N 3.14Å; A211-T213 PolarHBondContact O-N 2.76Å |
| 212 | A | 43.3 | Very low | 48.1 | Very low | 89 Ų | 89 | 90 Ų | 90 | 74% | 0.736 | 58% | 0.577 | S | S | * | * | trans | -59.1 | 107.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q210 P214 | Q210-A212 PolarHBondContact O-N 3.35Å; A212-P214 WeakPolarHBondContact O-CD 3.38Å | ||
| 213 | T | 37.9 | Very low | 47.3 | Very low | 120 Ų | 120 | 91 Ų | 91 | 74% | 0.736 | 57% | 0.572 | S | S | * | * | trans | -62.4 | 123.3 | 167.1 | 42.3 | 0 | 0 | 0 | 0 | 106.3 | A211 S215 | A211-T213 PolarHBondContact O-N 2.76Å; T213-S215 PolarHBondContact O-N 2.99Å | ||
| 214 | P | 35.3 | Very low | 46.2 | Very low | 120 Ų | 120 | 94.9 Ų | 94.9 | 78% | 0.779 | 60% | 0.599 | S | S | * | * | trans | -65.9 | 94.9 | 169.1 | 26.3 | -30.1 | 0 | 0 | 0 | 106.1 | A212 T216 | A212-P214 WeakPolarHBondContact O-CD 3.38Å; P214-T216 PolarHBondContact O-N 3.41Å | ||
| 215 | S | 37.7 | Very low | 44.8 | Very low | 98 Ų | 98 | 98 Ų | 98 | 69% | 0.685 | 62% | 0.619 | S | S | * | * | trans | -65.7 | 105 | 166.5 | 30.5 | 0 | 0 | 0 | 0 | 106.1 | T213 S217 | T213-S215 PolarHBondContact O-N 2.99Å; S215-S217 PolarHBondContact O-N 2.93Å | ||
| 216 | T | 31.8 | Very low | 43 | Very low | 143 Ų | 143 | 106 Ų | 106 | 88% | 0.877 | 66% | 0.661 | S | S | * | * | trans | -61.4 | 88.1 | 162.9 | -57.9 | 0 | 0 | 0 | 0 | 107.7 | P214 | P214-T216 PolarHBondContact O-N 3.41Š| ||
| 217 | S | 37.8 | Very low | 41.2 | Very low | 95 Ų | 95 | 108.2 Ų | 108.2 | 66% | 0.664 | 69% | 0.69 | S | S | * | * | trans | -146.2 | 94.8 | 159.8 | 58.5 | 0 | 0 | 0 | 0 | 108.5 | S215 | S215-S217 PolarHBondContact O-N 2.93Š| ||
| 218 | S | 32.1 | Very low | 39.2 | Very low | 126 Ų | 126 | 112 Ų | 112 | 88% | 0.881 | 73% | 0.73 | S | S | * | * | trans | -30.5 | 131 | 155.6 | -29.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 219 | G | 31.2 | Very low | 37.6 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | 147.8 | 83.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 220 | V | 35.4 | Very low | 36.9 | Very low | 139 Ų | 139 | 116 Ų | 116 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | trans | -16.3 | 126.8 | 150.8 | -169.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 221 | T | 33.4 | Very low | 36.7 | Very low | 122 Ų | 122 | 115.2 Ų | 115.2 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 169.6 | 127.5 | 116 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | L223 | T221-L223 PolarHBondContact O-N 3.03Š| |||
| 222 | L | 35.5 | Very low | 37.3 | Very low | 161 Ų | 161 | 112.4 Ų | 112.4 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -53.6 | 123.7 | 169.8 | -62.8 | 152.7 | 0 | 0 | 0 | 111.1 | ||||
| 223 | L | 32.9 | Very low | 38.6 | Very low | 157 Ų | 157 | 109.4 Ų | 109.4 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | trans | -172.1 | 132.9 | 144.7 | -114.5 | 109.6 | 0 | 0 | 0 | 108.5 | T221 S225 | T221-L223 PolarHBondContact O-N 3.03Å; L223-S225 PolarHBondContact O-N 2.88Å | ||
| 224 | P | 36 | Very low | 40.3 | Very low | 118 Ų | 118 | 103.9 Ų | 103.9 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | trans | -78.2 | 94.6 | 174.7 | 31.5 | -28.1 | 0 | 0 | 0 | 108.1 | L226 | P224-L226 PolarHBondContact O-N 3.35Š| ||
| 225 | S | 33.3 | Very low | 42.3 | Very low | 108 Ų | 108 | 102.9 Ų | 102.9 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | trans | -73.7 | 110.7 | 171 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | L223 G227 | L223-S225 PolarHBondContact O-N 2.88Å; S225-G227 PolarHBondContact O-N 3.11Å | ||
| 226 | L | 30.3 | Very low | 44.4 | Very low | 170 Ų | 170 | 99 Ų | 99 | 89% | 0.89 | 64% | 0.636 | S | S | * | * | trans | -52.2 | 129.8 | 152.8 | -87 | 70.4 | 0 | 0 | 0 | 109 | P224 | P224-L226 PolarHBondContact O-N 3.35Š| ||
| 227 | G | 28 | Very low | 46.7 | Very low | 75 Ų | 75 | 96.3 Ų | 96.3 | 77% | 0.773 | 62% | 0.615 | S | S | * | * | trans | 102.8 | 123.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S225 | S225-G227 PolarHBondContact O-N 3.11Š| ||
| 228 | G | 29.3 | Very low | 48.7 | Very low | 83 Ų | 83 | 92.3 Ų | 92.3 | 86% | 0.856 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 107.4 | 69.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 229 | S | 35.8 | Very low | 50.8 | Low | 93 Ų | 93 | 89.2 Ų | 89.2 | 65% | 0.65 | 56% | 0.563 | S | S | * | * | 154.7 | 101.6 | 129 | -167.5 | 0 | 0 | 0 | 0 | 107.2 | S231 | S229-S231 PolarHBondContact O-N 2.59Š| |||
| 230 | Q | 47 | Very low | 53 | Low | 161 Ų | 161 | 89.3 Ų | 89.3 | 75% | 0.752 | 56% | 0.557 | S | S | * | * | trans | -67.2 | 83.3 | 172.7 | -63.2 | -168.4 | 68 | 0 | 0 | 108.2 | ||||
| 231 | S | 56.5 | Low | 54.8 | Low | 85 Ų | 85 | 86.8 Ų | 86.8 | 59% | 0.594 | 54% | 0.539 | S | S | * | . | trans | -95.1 | 109.2 | 162.4 | 56 | 0 | 0 | 0 | 0 | 106.7 | S229 | S229-S231 PolarHBondContact O-N 2.59Š| ||
| 232 | S | 62.2 | Low | 56.8 | Low | 25 Ų | 25 | 81.2 Ų | 81.2 | 18% | 0.175 | 50% | 0.504 | C | S | . | . | trans | -55.9 | 139.3 | 174 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | E176 Q210 L234 | E176-S232 WeakPolarHBondContact OE2-CA 3.12Å; E176-S232 WeakPolarHBondContact OE2-CB 3.11Å; Q210-S232 PolarHBondContact OE1-O 3.48Å; S232-L234 PolarHBondContact O-N 2.87Å; S232-L234 PolarHBondContact OG-O 2.84Å | ||
| 233 | T | 70.4 | Confident | 58.6 | Low | 26 Ų | 26 | 79.8 Ų | 79.8 | 16% | 0.16 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -70.4 | -22.9 | 172.1 | -39.4 | 0 | 0 | 0 | 0 | 111 | S172 F173 E176 Q210 | S172-T233 WeakPolarHBondContact CB-OG1 3.24Å; S172-T233 PolarHBondContact OG-OG1 2.9Å; F173-T233 HydrophobicContact CB-CG2 3.97Å; E176-T233 VanDerWaalsContact CD-N 3.28Å; E176-T233 WeakPolarHBondContact OE1-CB 3.23Å; E176-T233 PolarHBondContact OE1-N 3.49Å; E176-T233 PolarHBondContact OE1-OG1 2.84Å; E176-T233 PolarHBondContact OE2-N 3.25Å; Q210-T233 WeakPolarHBondContact CB-O 3.38Å; Q210-T233 PolarHBondContact N-O 2.86Å |
| 234 | L | 73.7 | Confident | 60.6 | Low | 4 Ų | 4 | 79.6 Ų | 79.6 | 2% | 0.021 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 129.9 | 174.3 | -64.9 | -178.5 | 0 | 0 | 0 | 112.3 | F173 E176 L180 V207 S232 W284 | F173-L234 HydrophobicContact CD2-CD2 3.35Å; F173-L234 HydrophobicContact CE2-CD2 3.28Å; F173-L234 HydrophobicContact CG-CD2 4.35Å; F173-L234 HydrophobicContact CZ-CD2 4.25Å; E176-L234 HydrophobicContact CB-CD1 3.54Å; E176-L234 HydrophobicContact CB-CG 3.64Å; E176-L234 WeakPolarHBondContact OE2-CG 3.49Å; E176-L234 PolarHBondContact OE2-N 2.92Å; L180-L234 HydrophobicContact CB-CD1 4.32Å; L180-L234 HydrophobicContact CD2-CD1 4.23Å; V207-L234 HydrophobicContact CG1-CD2 3.84Å; S232-L234 PolarHBondContact O-N 2.87Å; S232-L234 PolarHBondContact OG-O 2.84Å; L234-W284 HydrophobicContact CB-CG 4.36Å; L234-W284 HydrophobicContact CD1-CD2 4.37Å; L234-W284 HydrophobicContact CD1-CG 4.19Å |
| 235 | E | 78.7 | Confident | 62.4 | Low | 99 Ų | 99 | 77.2 Ų | 77.2 | 46% | 0.463 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.7 | 166.2 | -172 | -178.1 | 176.8 | 0 | 0 | 109.3 | K208 | K208-E235 HydrophobicContact CB-CB 4.46Å; K208-E235 PolarHBondContact N-O 3.33Å; K208-E235 PolarHBondContact O-N 3.13Å |
| 236 | I | 80.1 | Confident | 64.4 | Low | 17 Ų | 17 | 75.2 Ų | 75.2 | 9% | 0.087 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 124.7 | 177 | -63.2 | -164.2 | 0 | 0 | 0 | 109.9 | L180 F205 L206 L238 W284 M287 L288 | L180-I236 HydrophobicContact CD1-CD1 4.3Å; F205-I236 HydrophobicContact CB-CG2 4.33Å; F205-I236 HydrophobicContact CD2-CD1 4.34Å; F205-I236 HydrophobicContact CD2-CG2 3.83Å; F205-I236 HydrophobicContact CE2-CD1 4.09Å; F205-I236 HydrophobicContact CG-CG2 4.41Å; L206-I236 WeakPolarHBondContact O-CA 3.18Å; I236-L238 HydrophobicContact CG2-CD2 4.39Å; I236-L238 HydrophobicContact CG2-CG 4.16Å; I236-W284 HydrophobicContact CD1-CB 3.57Å; I236-W284 HydrophobicContact CD1-CG 4.42Å; I236-W284 HydrophobicContact CG1-CB 3.93Å; I236-M287 HydrophobicContact CB-SD 4.23Å; I236-M287 HydrophobicContact CG2-SD 4.4Å; I236-L288 HydrophobicContact CD1-CD1 3.48Å; I236-L288 VanDerWaalsContact CD1-CD1 3.48Å; I236-L288 HydrophobicContact CD1-CD2 3.83Å; I236-L288 HydrophobicContact CD1-CG 3.58Å; I236-L288 HydrophobicContact CG2-CD2 3.83Å |
| 237 | M | 80.3 | Confident | 66.6 | Low | 87 Ų | 87 | 69.5 Ų | 69.5 | 43% | 0.429 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 107.7 | 175.6 | -173.4 | -177.6 | -61.4 | 0 | 0 | 109.7 | L206 K208 | L206-M237 HydrophobicContact CB-CB 4.22Å; L206-M237 HydrophobicContact CD2-CB 4.34Å; L206-M237 PolarHBondContact N-O 2.98Å; L206-M237 PolarHBondContact O-N 3.22Å; K208-M237 HydrophobicContact CD-CE 4.41Å |
| 238 | L | 79.9 | Confident | 69 | Low | 11 Ų | 11 | 68.7 Ų | 68.7 | 6% | 0.058 | 39% | 0.39 | C | S | . | . | trans | -95.1 | 145.2 | 173.7 | -69.4 | 171.6 | 0 | 0 | 0 | 111.4 | L197 F205 I236 K243 M287 L288 A291 | L197-L238 HydrophobicContact CD1-CD2 3.78Å; L197-L238 HydrophobicContact CD2-CD2 4.38Å; F205-L238 HydrophobicContact CB-CD2 3.85Å; I236-L238 HydrophobicContact CG2-CD2 4.39Å; I236-L238 HydrophobicContact CG2-CG 4.16Å; L238-K243 HydrophobicContact CB-CG 4.36Å; L238-K243 VanDerWaalsContact O-CE 3.25Å; L238-K243 WeakPolarHBondContact O-CE 3.18Å; L238-M287 HydrophobicContact CD1-CG 3.53Å; L238-M287 HydrophobicContact CD1-SD 4Å; L238-M287 HydrophobicContact CG-SD 4.49Å; L238-L288 HydrophobicContact CD2-CD2 4.27Å; L238-A291 HydrophobicContact CD1-CB 3.83Å; L238-A291 HydrophobicContact CD2-CB 3.96Å | ||
| 239 | P | 77.8 | Confident | 71.3 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | trans | -49.4 | 142 | 163.8 | -26.4 | 33.5 | 0 | 0 | 0 | 111.9 | D241 L242 | P239-D241 PolarHBondContact O-N 2.89Å; P239-D241 VanDerWaalsContact O-N 3.07Å; P239-L242 HydrophobicContact CB-CD1 4.43Å; P239-L242 HydrophobicContact CG-CD1 4.15Å; P239-L242 PolarHBondContact O-N 2.99Å | ||
| 240 | A | 75.7 | Confident | 73.3 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 61% | 0.612 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -54.2 | -34.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L242 K243 | A240-L242 VanDerWaalsContact C-N 3.32Å; A240-L242 PolarHBondContact O-N 3.44Å; A240-K243 PolarHBondContact O-N 3.13Å |
| 241 | D | 74.1 | Confident | 74.7 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60 | -35.8 | 176.2 | -89.8 | 23.3 | 0 | 0 | 0 | 114.7 | P239 R298 | P239-D241 PolarHBondContact O-N 2.89Å; P239-D241 VanDerWaalsContact O-N 3.07Å; D241-R298 IonicContact OD2-CZ 2.98Å; D241-R298 IonicContact OD2-NH1 2.71Å; D241-R298 PolarHBondContact OD2-NH1 3.19Å; D241-R298 IonicContact OD2-NH2 3.91Å; D241-R298 PolarHBondContact OD2-NH2 2.89Å |
| 242 | L | 76.1 | Confident | 75.8 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -89.2 | -8 | -175.7 | -65 | 174.9 | 0 | 0 | 0 | 112.8 | L197 P239 A240 K244 A291 T294 L295 | L197-L242 HydrophobicContact CD1-CD1 3.46Å; L197-L242 VanDerWaalsContact CD1-CD1 3.46Å; P239-L242 HydrophobicContact CB-CD1 4.43Å; P239-L242 HydrophobicContact CG-CD1 4.15Å; P239-L242 PolarHBondContact O-N 2.99Å; A240-L242 VanDerWaalsContact C-N 3.32Å; A240-L242 PolarHBondContact O-N 3.44Å; L242-K244 VanDerWaalsContact C-N 3.27Å; L242-A291 HydrophobicContact CB-CB 4.26Å; L242-T294 HydrophobicContact CD2-CG2 4.39Å; L242-L295 HydrophobicContact CD2-CB 4.41Å |
| 243 | K | 72.5 | Confident | 76.6 | Confident | 130 Ų | 130 | 71.2 Ų | 71.2 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70 | -28 | 173.5 | -62.6 | -175.9 | -179.4 | -178.5 | 0 | 111.6 | L238 A240 K290 | L238-K243 HydrophobicContact CB-CG 4.36Å; L238-K243 VanDerWaalsContact O-CE 3.25Å; L238-K243 WeakPolarHBondContact O-CE 3.18Å; A240-K243 PolarHBondContact O-N 3.13Å; K243-K290 PolarHBondContact O-NZ 3.21Å |
| 244 | K | 74.6 | Confident | 76.9 | Confident | 153 Ų | 153 | 74.4 Ų | 74.4 | 67% | 0.665 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -77.8 | 141.8 | 177.8 | -62.3 | -177.9 | -178 | 178.8 | 0 | 110 | L242 T294 | L242-K244 VanDerWaalsContact C-N 3.27Å; K244-T294 VanDerWaalsContact O-CG2 3.27Å; K244-T294 WeakPolarHBondContact O-CG2 3.36Å; K244-T294 PolarHBondContact O-OG1 2.93Å; K244-T294 VanDerWaalsContact O-OG1 3.08Å |
| 245 | Q | 73.4 | Confident | 76.8 | Confident | 69 Ų | 69 | 82.2 Ų | 82.2 | 32% | 0.322 | 43% | 0.434 | S | S | . | . | trans | -85.9 | 128 | 171.3 | -158.4 | 161.7 | -22.3 | 0 | 0 | 109.1 | I247 K290 | Q245-I247 HydrophobicContact CG-CG1 4.34Å; Q245-K290 HydrophobicContact CG-CG 4.23Å; Q245-K290 VanDerWaalsContact OE1-CE 3.29Å | ||
| 246 | L | 75.4 | Confident | 76.4 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 34% | 0.34 | 45% | 0.452 | S | S | . | . | trans | -106 | 137.5 | 167 | -67.1 | 170.7 | 0 | 0 | 0 | 109.2 | T294 C297 R298 | L246-T294 HydrophobicContact CB-CG2 4.03Å; L246-T294 HydrophobicContact CD1-CG2 3.7Å; L246-T294 HydrophobicContact CG-CG2 3.79Å; L246-T294 PolarHBondContact N-OG1 3.37Å; L246-C297 HydrophobicContact CB-CB 4.04Å; L246-R298 HydrophobicContact CD1-CG 3.6Å | ||
| 247 | I | 77.1 | Confident | 75.6 | Confident | 51 Ų | 51 | 84.4 Ų | 84.4 | 26% | 0.262 | 46% | 0.457 | S | S | . | . | trans | -129 | 121.5 | 175.9 | -59.6 | 176.7 | 0 | 0 | 0 | 106.8 | Q245 K249 L273 | Q245-I247 HydrophobicContact CG-CG1 4.34Å; I247-K249 HydrophobicContact CG2-CG 4.21Å; I247-L273 HydrophobicContact CD1-CB 3.78Å; I247-L273 VanDerWaalsContact CD1-O 3.3Å; I247-L273 WeakPolarHBondContact CD1-O 3.45Å | ||
| 248 | L | 77.5 | Confident | 75.1 | Confident | 57 Ų | 57 | 85.8 Ų | 85.8 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | trans | -83.6 | 123 | 171.3 | 178.9 | 68.1 | 0 | 0 | 0 | 108.5 | L300 F301 | L248-L300 HydrophobicContact CD2-CB 4.25Å; L248-L300 HydrophobicContact CD2-CD1 4.23Å; L248-F301 HydrophobicContact CB-CE2 4.17Å; L248-F301 HydrophobicContact CD1-CD1 4.17Å; L248-F301 HydrophobicContact CD1-CD2 4.07Å; L248-F301 HydrophobicContact CD1-CE1 3.56Å; L248-F301 HydrophobicContact CD1-CE2 3.44Å; L248-F301 VanDerWaalsContact CD1-CE2 3.44Å; L248-F301 HydrophobicContact CD1-CG 4.41Å; L248-F301 HydrophobicContact CD1-CZ 3.16Å; L248-F301 HydrophobicContact CG-CE2 4.39Å; L248-F301 HydrophobicContact CG-CZ 4.44Å | ||
| 249 | K | 77.6 | Confident | 74.8 | Confident | 66 Ų | 66 | 91.5 Ų | 91.5 | 29% | 0.287 | 50% | 0.496 | S | S | . | . | trans | -116.1 | 130.8 | 169.1 | -69.2 | -170.7 | 179.6 | -173.4 | 0 | 108.8 | I247 F251 V269 | I247-K249 HydrophobicContact CG2-CG 4.21Å; K249-F251 HydrophobicContact CB-CE2 4.13Å; K249-F251 HydrophobicContact CB-CZ 4.12Å; K249-F251 HydrophobicContact CD-CZ 4.32Å; K249-V269 HydrophobicContact CD-CB 4.35Å; K249-V269 HydrophobicContact CD-CG1 3.88Å; K249-V269 HydrophobicContact CD-CG2 3.73Å; K249-V269 VanDerWaalsContact NZ-CA 3.35Å | ||
| 250 | C | 77.7 | Confident | 74.5 | Confident | 106 Ų | 106 | 94.3 Ų | 94.3 | 72% | 0.716 | 50% | 0.504 | S | S | * | . | trans | -114.5 | 136.5 | 176.4 | -63.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 251 | F | 78 | Confident | 74.2 | Confident | 83 Ų | 83 | 95.4 Ų | 95.4 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | trans | -123.1 | 135.7 | 179.7 | -63.7 | -64.6 | 0 | 0 | 0 | 108.5 | K249 I253 L265 V269 | K249-F251 HydrophobicContact CB-CE2 4.13Å; K249-F251 HydrophobicContact CB-CZ 4.12Å; K249-F251 HydrophobicContact CD-CZ 4.32Å; F251-I253 HydrophobicContact CB-CG1 4.44Å; F251-L265 HydrophobicContact CB-CD2 3.48Å; F251-L265 VanDerWaalsContact CB-CD2 3.48Å; F251-L265 HydrophobicContact CB-CG 4.28Å; F251-L265 HydrophobicContact CD1-CD1 3.51Å; F251-L265 HydrophobicContact CD1-CD2 3.37Å; F251-L265 HydrophobicContact CD1-CG 3.25Å; F251-L265 HydrophobicContact CD2-CD2 4.33Å; F251-L265 HydrophobicContact CD2-CG 4.29Å; F251-L265 HydrophobicContact CE1-CD1 3.54Å; F251-L265 HydrophobicContact CE1-CD2 4.13Å; F251-L265 HydrophobicContact CE1-CG 3.46Å; F251-L265 VanDerWaalsContact CE1-CG 3.46Å; F251-L265 HydrophobicContact CE2-CG 4.46Å; F251-L265 HydrophobicContact CG-CD1 4.41Å; F251-L265 HydrophobicContact CG-CD2 3.46Å; F251-L265 VanDerWaalsContact CG-CD2 3.46Å; F251-L265 HydrophobicContact CG-CG 3.68Å; F251-L265 HydrophobicContact CZ-CD1 4.47Å; F251-L265 HydrophobicContact CZ-CG 4.07Å; F251-V269 HydrophobicContact CE2-CG2 4.43Å; F251-V269 HydrophobicContact CZ-CG2 3.81Å | ||
| 252 | I | 79.9 | Confident | 74.1 | Confident | 169 Ų | 169 | 93.9 Ų | 93.9 | 87% | 0.867 | 49% | 0.491 | S | S | * | . | trans | -100.7 | 111.8 | 171.6 | -58.4 | 174.4 | 0 | 0 | 0 | 105.6 | ||||
| 253 | I | 77.7 | Confident | 74 | Confident | 77 Ų | 77 | 96.4 Ų | 96.4 | 40% | 0.395 | 51% | 0.509 | S | S | . | . | trans | -104.4 | 123.5 | -178 | -60.9 | 164.8 | 0 | 0 | 0 | 107 | F251 A257 I262 L265 | F251-I253 HydrophobicContact CB-CG1 4.44Å; I253-A257 HydrophobicContact CG2-CB 3.27Å; I253-I262 HydrophobicContact CD1-CD1 4.35Å; I253-I262 HydrophobicContact CD1-CG1 4.08Å; I253-I262 HydrophobicContact CD1-CG2 4.39Å; I253-I262 HydrophobicContact CG2-CG1 4.41Å; I253-L265 HydrophobicContact CG1-CD2 4.31Å | ||
| 254 | P | 77.8 | Confident | 74 | Confident | 92 Ų | 92 | 95.6 Ų | 95.6 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | trans | -67.9 | 148.2 | 172.3 | 29 | -32.6 | 0 | 0 | 0 | 110.1 | V256 A257 | P254-V256 PolarHBondContact O-N 2.98Å; P254-A257 HydrophobicContact CG-CB 4.43Å; P254-A257 WeakPolarHBondContact O-CB 3.24Å; P254-A257 PolarHBondContact O-N 3.36Å | ||
| 255 | D | 70.9 | Confident | 73.9 | Confident | 169 Ų | 169 | 90.9 Ų | 90.9 | 90% | 0.904 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.7 | -174.4 | -164.2 | 30.9 | 0 | 0 | 0 | 114.1 | A257 | D255-A257 VanDerWaalsContact C-N 3.31Å; D255-A257 PolarHBondContact O-N 2.94Å |
| 256 | V | 70.6 | Confident | 73.9 | Confident | 138 Ų | 138 | 92.6 Ų | 92.6 | 84% | 0.836 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 29 | 179.9 | -159.2 | 0 | 0 | 0 | 0 | 111.9 | P254 | P254-V256 PolarHBondContact O-N 2.98Š|
| 257 | A | 63.2 | Low | 73.6 | Confident | 23 Ų | 23 | 97 Ų | 97 | 19% | 0.19 | 52% | 0.516 | C | S | . | . | trans | -89.7 | 122.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I253 P254 D255 L261 | I253-A257 HydrophobicContact CG2-CB 3.27Å; P254-A257 HydrophobicContact CG-CB 4.43Å; P254-A257 WeakPolarHBondContact O-CB 3.24Å; P254-A257 PolarHBondContact O-N 3.36Å; D255-A257 VanDerWaalsContact C-N 3.31Å; D255-A257 PolarHBondContact O-N 2.94Å; A257-L261 HydrophobicContact CB-CD1 4.23Å | ||
| 258 | D | 68.9 | Low | 73.2 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 62% | 0.62 | 53% | 0.53 | S | S | * | . | trans | -64 | 147.1 | 168 | -67.2 | -38.2 | 0 | 0 | 0 | 110.9 | E260 L261 I262 | D258-E260 PolarHBondContact O-N 3.39Å; D258-L261 WeakPolarHBondContact O-CB 3.3Å; D258-L261 PolarHBondContact O-N 3.28Å; D258-I262 PolarHBondContact O-N 2.76Å | ||
| 259 | D | 73.8 | Confident | 72.6 | Confident | 131 Ų | 131 | 96.5 Ų | 96.5 | 70% | 0.701 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -51.7 | -24.6 | 175.4 | -76.2 | -26.9 | 0 | 0 | 0 | 113.1 | I262 S263 | D259-I262 PolarHBondContact O-N 3.41Å; D259-S263 WeakPolarHBondContact O-CB 3.43Å; D259-S263 PolarHBondContact O-N 3.07Å; D259-S263 PolarHBondContact O-OG 3.16Å |
| 260 | E | 72.5 | Confident | 71.9 | Confident | 121 Ų | 121 | 97.1 Ų | 97.1 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69 | -35.6 | 175.9 | -154.7 | -170.4 | 146.5 | 0 | 0 | 112.6 | D258 S263 K264 | D258-E260 PolarHBondContact O-N 3.39Å; E260-S263 PolarHBondContact O-N 2.83Å; E260-K264 WeakPolarHBondContact O-CB 3.42Å; E260-K264 WeakPolarHBondContact O-CG 3.48Å; E260-K264 PolarHBondContact O-N 3.25Å; E260-K264 WeakPolarHBondContact OE1-CE 3.48Å; E260-K264 IonicContact OE1-NZ 3.68Å; E260-K264 PolarHBondContact OE1-NZ 2.99Å |
| 261 | L | 69.9 | Low | 71.1 | Confident | 96 Ų | 96 | 96.2 Ų | 96.2 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 174.7 | -68.4 | 175.7 | 0 | 0 | 0 | 110.9 | A257 D258 S263 K264 L265 | A257-L261 HydrophobicContact CB-CD1 4.23Å; D258-L261 WeakPolarHBondContact O-CB 3.3Å; D258-L261 PolarHBondContact O-N 3.28Å; L261-S263 VanDerWaalsContact C-N 3.33Å; L261-K264 PolarHBondContact O-N 3.02Å; L261-L265 VanDerWaalsContact O-CB 3.24Å; L261-L265 WeakPolarHBondContact O-CB 3.13Å; L261-L265 PolarHBondContact O-N 3.26Å |
| 262 | I | 71.1 | Confident | 70.1 | Confident | 54 Ų | 54 | 95.1 Ų | 95.1 | 28% | 0.277 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 174.9 | -54.6 | -177.7 | 0 | 0 | 0 | 109.7 | I253 D258 D259 L265 I266 | I253-I262 HydrophobicContact CD1-CD1 4.35Å; I253-I262 HydrophobicContact CD1-CG1 4.08Å; I253-I262 HydrophobicContact CD1-CG2 4.39Å; I253-I262 HydrophobicContact CG2-CG1 4.41Å; D258-I262 PolarHBondContact O-N 2.76Å; D259-I262 PolarHBondContact O-N 3.41Å; I262-L265 PolarHBondContact O-N 3.42Å; I262-I266 HydrophobicContact CG2-CD1 3.95Å; I262-I266 WeakPolarHBondContact O-CG1 3.27Å; I262-I266 PolarHBondContact O-N 3.47Å |
| 263 | S | 73.1 | Confident | 68.8 | Low | 58 Ų | 58 | 90.9 Ų | 90.9 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | D259 E260 L261 L265 I266 Q267 | D259-S263 WeakPolarHBondContact O-CB 3.43Å; D259-S263 PolarHBondContact O-N 3.07Å; D259-S263 PolarHBondContact O-OG 3.16Å; E260-S263 PolarHBondContact O-N 2.83Å; L261-S263 VanDerWaalsContact C-N 3.33Å; S263-L265 VanDerWaalsContact C-N 3.3Å; S263-L265 PolarHBondContact O-N 2.99Å; S263-I266 PolarHBondContact O-N 3.41Å; S263-Q267 WeakPolarHBondContact O-CB 3.11Å; S263-Q267 VanDerWaalsContact O-CG 3.28Å; S263-Q267 WeakPolarHBondContact O-CG 3.38Å; S263-Q267 PolarHBondContact O-N 3.07Å |
| 264 | K | 74.3 | Confident | 67.6 | Low | 114 Ų | 114 | 92.9 Ų | 92.9 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 174.3 | -76.4 | 172.6 | -174.7 | 163.1 | 0 | 112 | E260 L261 Q267 S268 | E260-K264 WeakPolarHBondContact O-CB 3.42Å; E260-K264 WeakPolarHBondContact O-CG 3.48Å; E260-K264 PolarHBondContact O-N 3.25Å; E260-K264 WeakPolarHBondContact OE1-CE 3.48Å; E260-K264 IonicContact OE1-NZ 3.68Å; E260-K264 PolarHBondContact OE1-NZ 2.99Å; L261-K264 PolarHBondContact O-N 3.02Å; K264-Q267 CarbonylContact O-C 3.59Å; K264-Q267 PolarHBondContact O-N 2.69Å; K264-S268 WeakPolarHBondContact O-CB 3.49Å; K264-S268 PolarHBondContact O-N 3.27Å |
| 265 | L | 71.7 | Confident | 66 | Low | 54 Ų | 54 | 95.8 Ų | 95.8 | 28% | 0.283 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 180 | -168.9 | 59.5 | 0 | 0 | 0 | 111.7 | F251 I253 L261 I262 S263 Q267 S268 | F251-L265 HydrophobicContact CB-CD2 3.48Å; F251-L265 VanDerWaalsContact CB-CD2 3.48Å; F251-L265 HydrophobicContact CB-CG 4.28Å; F251-L265 HydrophobicContact CD1-CD1 3.51Å; F251-L265 HydrophobicContact CD1-CD2 3.37Å; F251-L265 HydrophobicContact CD1-CG 3.25Å; F251-L265 HydrophobicContact CD2-CD2 4.33Å; F251-L265 HydrophobicContact CD2-CG 4.29Å; F251-L265 HydrophobicContact CE1-CD1 3.54Å; F251-L265 HydrophobicContact CE1-CD2 4.13Å; F251-L265 HydrophobicContact CE1-CG 3.46Å; F251-L265 VanDerWaalsContact CE1-CG 3.46Å; F251-L265 HydrophobicContact CE2-CG 4.46Å; F251-L265 HydrophobicContact CG-CD1 4.41Å; F251-L265 HydrophobicContact CG-CD2 3.46Å; F251-L265 VanDerWaalsContact CG-CD2 3.46Å; F251-L265 HydrophobicContact CG-CG 3.68Å; F251-L265 HydrophobicContact CZ-CD1 4.47Å; F251-L265 HydrophobicContact CZ-CG 4.07Å; I253-L265 HydrophobicContact CG1-CD2 4.31Å; L261-L265 VanDerWaalsContact O-CB 3.24Å; L261-L265 WeakPolarHBondContact O-CB 3.13Å; L261-L265 PolarHBondContact O-N 3.26Å; I262-L265 PolarHBondContact O-N 3.42Å; S263-L265 VanDerWaalsContact C-N 3.3Å; S263-L265 PolarHBondContact O-N 2.99Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; L265-S268 PolarHBondContact O-N 3.14Å; L265-S268 PolarHBondContact O-OG 3.42Å |
| 266 | I | 72.3 | Confident | 64.7 | Low | 105 Ų | 105 | 90.6 Ų | 90.6 | 54% | 0.538 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 172.1 | -65.9 | 166.7 | 0 | 0 | 0 | 111.1 | I262 S263 V269 | I262-I266 HydrophobicContact CG2-CD1 3.95Å; I262-I266 WeakPolarHBondContact O-CG1 3.27Å; I262-I266 PolarHBondContact O-N 3.47Å; S263-I266 PolarHBondContact O-N 3.41Å; I266-V269 WeakPolarHBondContact O-CB 3.22Å; I266-V269 WeakPolarHBondContact O-CG2 2.98Å |
| 267 | Q | 70.8 | Confident | 63.3 | Low | 156 Ų | 156 | 87.3 Ų | 87.3 | 73% | 0.729 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -78.3 | -24.3 | 178.1 | -70.9 | 175 | 12.8 | 0 | 0 | 113.7 | S263 K264 L265 V269 | S263-Q267 WeakPolarHBondContact O-CB 3.11Å; S263-Q267 VanDerWaalsContact O-CG 3.28Å; S263-Q267 WeakPolarHBondContact O-CG 3.38Å; S263-Q267 PolarHBondContact O-N 3.07Å; K264-Q267 CarbonylContact O-C 3.59Å; K264-Q267 PolarHBondContact O-N 2.69Å; L265-Q267 VanDerWaalsContact C-N 3.34Å; Q267-V269 PolarHBondContact O-N 2.78Å |
| 268 | S | 68 | Low | 62.4 | Low | 79 Ų | 79 | 94.3 Ų | 94.3 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -9.4 | 173.4 | 77.7 | 0 | 0 | 0 | 0 | 112.8 | K264 L265 D270 | K264-S268 WeakPolarHBondContact O-CB 3.49Å; K264-S268 PolarHBondContact O-N 3.27Å; L265-S268 PolarHBondContact O-N 3.14Å; L265-S268 PolarHBondContact O-OG 3.42Å; S268-D270 PolarHBondContact O-N 3.03Å |
| 269 | V | 65 | Low | 61.2 | Low | 19 Ų | 19 | 96.9 Ų | 96.9 | 12% | 0.115 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -67.2 | 96.3 | 174.9 | 176.7 | 0 | 0 | 0 | 0 | 109 | K249 F251 I266 Q267 P271 Y274 | K249-V269 HydrophobicContact CD-CB 4.35Å; K249-V269 HydrophobicContact CD-CG1 3.88Å; K249-V269 HydrophobicContact CD-CG2 3.73Å; K249-V269 VanDerWaalsContact NZ-CA 3.35Å; F251-V269 HydrophobicContact CE2-CG2 4.43Å; F251-V269 HydrophobicContact CZ-CG2 3.81Å; I266-V269 WeakPolarHBondContact O-CB 3.22Å; I266-V269 WeakPolarHBondContact O-CG2 2.98Å; Q267-V269 PolarHBondContact O-N 2.78Å; V269-P271 WeakPolarHBondContact O-CD 3.36Å; V269-Y274 HydrophobicContact CG1-CE2 3.35Å; V269-Y274 WeakPolarHBondContact CG1-OH 3.31Å |
| 270 | D | 62.9 | Low | 59.7 | Low | 80 Ų | 80 | 100.9 Ų | 100.9 | 43% | 0.428 | 52% | 0.515 | S | S | . | . | trans | -49.3 | 114.3 | 178 | -170.1 | -8.2 | 0 | 0 | 0 | 111.5 | S268 S272 L273 | S268-D270 PolarHBondContact O-N 3.03Å; D270-S272 PolarHBondContact O-N 3.06Å; D270-S272 VanDerWaalsContact O-N 3.14Å; D270-S272 WeakPolarHBondContact OD1-CB 3.38Å; D270-S272 PolarHBondContact OD1-N 2.82Å; D270-S272 PolarHBondContact OD1-OG 3.14Å; D270-S272 PolarHBondContact OD2-OG 2.94Å; D270-L273 HydrophobicContact CB-CD1 4.33Å; D270-L273 HydrophobicContact CB-CG 4.42Å; D270-L273 WeakPolarHBondContact O-CB 3.29Å; D270-L273 PolarHBondContact O-N 2.86Å; D270-L273 VanDerWaalsContact O-N 3.16Å | ||
| 271 | P | 60.2 | Low | 58.5 | Low | 87 Ų | 87 | 97.2 Ų | 97.2 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -59.6 | -21.8 | 177.3 | -22.4 | 33 | 0 | 0 | 0 | 113 | V269 L273 Y274 Q275 | V269-P271 WeakPolarHBondContact O-CD 3.36Å; P271-L273 PolarHBondContact O-N 2.84Å; P271-Y274 PolarHBondContact O-N 3.08Å; P271-Q275 PolarHBondContact O-N 2.69Å |
| 272 | S | 57.3 | Low | 57.9 | Low | 60 Ų | 60 | 96 Ų | 96 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -61.8 | -26.5 | 178.3 | 82 | 0 | 0 | 0 | 0 | 112.5 | D270 Y274 Q275 | D270-S272 PolarHBondContact O-N 3.06Å; D270-S272 VanDerWaalsContact O-N 3.14Å; D270-S272 WeakPolarHBondContact OD1-CB 3.38Å; D270-S272 PolarHBondContact OD1-N 2.82Å; D270-S272 PolarHBondContact OD1-OG 3.14Å; D270-S272 PolarHBondContact OD2-OG 2.94Å; S272-Y274 VanDerWaalsContact C-N 3.27Å; S272-Y274 PolarHBondContact O-N 3.32Å; S272-Q275 PolarHBondContact O-N 3.3Å |
| 273 | L | 52.7 | Low | 58.1 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 42% | 0.419 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -71.5 | -23 | 176 | -67.3 | 170.4 | 0 | 0 | 0 | 112.6 | I247 D270 P271 | I247-L273 HydrophobicContact CD1-CB 3.78Å; I247-L273 VanDerWaalsContact CD1-O 3.3Å; I247-L273 WeakPolarHBondContact CD1-O 3.45Å; D270-L273 HydrophobicContact CB-CD1 4.33Å; D270-L273 HydrophobicContact CB-CG 4.42Å; D270-L273 WeakPolarHBondContact O-CB 3.29Å; D270-L273 PolarHBondContact O-N 2.86Å; D270-L273 VanDerWaalsContact O-N 3.16Å; P271-L273 PolarHBondContact O-N 2.84Å |
| 274 | Y | 52.4 | Low | 58.5 | Low | 119 Ų | 119 | 92.9 Ų | 92.9 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -14.1 | 174.6 | -55.3 | -68 | 0 | 0 | 0 | 112.9 | V269 P271 S272 C276 | V269-Y274 HydrophobicContact CG1-CE2 3.35Å; V269-Y274 WeakPolarHBondContact CG1-OH 3.31Å; P271-Y274 PolarHBondContact O-N 3.08Å; S272-Y274 VanDerWaalsContact C-N 3.27Å; S272-Y274 PolarHBondContact O-N 3.32Å; Y274-C276 PolarHBondContact O-N 2.87Å |
| 275 | Q | 44.5 | Very low | 59 | Low | 152 Ų | 152 | 91.8 Ų | 91.8 | 71% | 0.71 | 48% | 0.479 | S | S | * | . | trans | -73.7 | 84.2 | 170.4 | -81.8 | 179.9 | 7.3 | 0 | 0 | 108.8 | P271 S272 S277 | P271-Q275 PolarHBondContact O-N 2.69Å; S272-Q275 PolarHBondContact O-N 3.3Å; Q275-S277 PolarHBondContact O-N 3.32Å | ||
| 276 | C | 43.1 | Very low | 59.5 | Low | 61 Ų | 61 | 93.9 Ų | 93.9 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | trans | -58.5 | 101.2 | 151.9 | -169.1 | 0 | 0 | 0 | 0 | 106.2 | Y274 N278 K290 | Y274-C276 PolarHBondContact O-N 2.87Å; C276-N278 PolarHBondContact O-N 2.72Å; C276-K290 VanDerWaalsContact SG-CE 3.59Å; C276-K290 PolarHBondContact SG-NZ 3.02Å | ||
| 277 | S | 41.8 | Very low | 59.9 | Low | 69 Ų | 69 | 92 Ų | 92 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | trans | -54.4 | 119 | 175.1 | 64.4 | 0 | 0 | 0 | 0 | 106.9 | Q275 K279 | Q275-S277 PolarHBondContact O-N 3.32Å; S277-K279 PolarHBondContact O-N 2.93Å | ||
| 278 | N | 43.6 | Very low | 60.7 | Low | 169 Ų | 169 | 84.6 Ų | 84.6 | 90% | 0.904 | 44% | 0.442 | S | S | * | . | trans | -63.4 | 15.3 | 169.4 | -99.3 | -17.5 | 0 | 0 | 0 | 112.6 | C276 R280 | C276-N278 PolarHBondContact O-N 2.72Å; N278-R280 PolarHBondContact O-N 3.18Å; N278-R280 VanDerWaalsContact O-N 3.07Å | ||
| 279 | K | 43.7 | Very low | 61.4 | Low | 171 Ų | 171 | 84.2 Ų | 84.2 | 74% | 0.743 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -59.9 | 113.1 | 161.7 | -63.3 | 179.1 | -177.8 | -176.9 | 0 | 104.7 | S277 A281 | S277-K279 PolarHBondContact O-N 2.93Å; K279-A281 PolarHBondContact O-N 3.48Å |
| 280 | R | 43.4 | Very low | 62.3 | Low | 214 Ų | 214 | 85.2 Ų | 85.2 | 81% | 0.808 | 44% | 0.435 | S | S | * | . | trans | -32.4 | 112.1 | 173.1 | -76.9 | -178.8 | -87.7 | -177.9 | -5.9 | 107.7 | N278 T282 | N278-R280 PolarHBondContact O-N 3.18Å; N278-R280 VanDerWaalsContact O-N 3.07Å; R280-T282 WeakPolarHBondContact O-CA 3.49Å; R280-T282 PolarHBondContact O-N 2.99Å | ||
| 281 | A | 46.5 | Very low | 63.3 | Low | 44 Ų | 44 | 81.4 Ų | 81.4 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | trans | -48.4 | 111.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | K279 S283 M287 | K279-A281 PolarHBondContact O-N 3.48Å; A281-S283 PolarHBondContact O-N 3.39Å; A281-M287 HydrophobicContact CB-CB 4.27Å; A281-M287 HydrophobicContact CB-CE 3.94Å | ||
| 282 | T | 56.7 | Low | 64.5 | Low | 71 Ų | 71 | 80.4 Ų | 80.4 | 44% | 0.436 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -76.2 | -9.7 | -161.7 | 20.6 | 0 | 0 | 0 | 0 | 112.4 | R280 E286 | R280-T282 WeakPolarHBondContact O-CA 3.49Å; R280-T282 PolarHBondContact O-N 2.99Å; T282-E286 PolarHBondContact OG1-OE2 3.07Å |
| 283 | S | 75.3 | Confident | 65.8 | Low | 26 Ų | 26 | 83.3 Ų | 83.3 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -143.7 | 143.3 | 168.7 | 62.8 | 0 | 0 | 0 | 0 | 109.5 | A281 Q285 E286 M287 | A281-S283 PolarHBondContact O-N 3.39Å; S283-Q285 PolarHBondContact O-N 2.91Å; S283-Q285 VanDerWaalsContact O-N 3.08Å; S283-E286 PolarHBondContact O-N 2.96Å; S283-E286 WeakPolarHBondContact OG-CG 3.18Å; S283-E286 PolarHBondContact OG-N 3.46Å; S283-M287 PolarHBondContact O-N 3.11Å |
| 284 | W | 82.6 | Confident | 67.3 | Low | 20 Ų | 20 | 79.5 Ų | 79.5 | 8% | 0.076 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -52.6 | -26.9 | 169.4 | 55.4 | -102.6 | 0 | 0 | 0 | 111.9 | E179 L180 L234 I236 M287 L288 | E179-W284 HydrophobicContact CB-CH2 4.13Å; E179-W284 HydrophobicContact CB-CZ2 3.78Å; L180-W284 HydrophobicContact CB-CE3 4.41Å; L180-W284 HydrophobicContact CB-CH2 4.03Å; L180-W284 HydrophobicContact CB-CZ2 4.37Å; L180-W284 HydrophobicContact CB-CZ3 4.05Å; L180-W284 HydrophobicContact CD1-CD2 4.3Å; L180-W284 HydrophobicContact CD1-CE3 3.42Å; L180-W284 VanDerWaalsContact CD1-CE3 3.42Å; L180-W284 HydrophobicContact CD1-CH2 4.25Å; L180-W284 HydrophobicContact CD1-CZ3 3.41Å; L180-W284 VanDerWaalsContact CD1-CZ3 3.41Å; L180-W284 HydrophobicContact CG-CE3 4.48Å; L180-W284 HydrophobicContact CG-CZ3 4.33Å; L234-W284 HydrophobicContact CB-CG 4.36Å; L234-W284 HydrophobicContact CD1-CD2 4.37Å; L234-W284 HydrophobicContact CD1-CG 4.19Å; I236-W284 HydrophobicContact CD1-CB 3.57Å; I236-W284 HydrophobicContact CD1-CG 4.42Å; I236-W284 HydrophobicContact CG1-CB 3.93Å; W284-M287 PolarHBondContact O-N 2.53Å; W284-L288 HydrophobicContact CE3-CD1 4.02Å; W284-L288 HydrophobicContact CZ3-CD1 4.45Å; W284-L288 WeakPolarHBondContact O-CG 3.42Å; W284-L288 PolarHBondContact O-N 3.21Å; W284-L288 VanDerWaalsContact O-N 3.13Å |
| 285 | Q | 83.5 | Confident | 68.8 | Low | 92 Ų | 92 | 74.3 Ų | 74.3 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.2 | -52.1 | 178.5 | -176.4 | 178.9 | -26 | 0 | 0 | 112.2 | S283 M287 L288 E289 | S283-Q285 PolarHBondContact O-N 2.91Å; S283-Q285 VanDerWaalsContact O-N 3.08Å; Q285-M287 PolarHBondContact O-N 2.77Å; Q285-L288 PolarHBondContact O-N 2.91Å; Q285-E289 WeakPolarHBondContact CG-OE1 3.08Å; Q285-E289 PolarHBondContact NE2-OE1 3.4Å; Q285-E289 WeakPolarHBondContact O-CG 3.48Å; Q285-E289 PolarHBondContact O-N 3.23Å |
| 286 | E | 82.3 | Confident | 70.6 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.5 | -39 | 177.9 | -73.9 | 166.2 | -160.7 | 0 | 0 | 111.8 | T282 S283 K290 | T282-E286 PolarHBondContact OG1-OE2 3.07Å; S283-E286 PolarHBondContact O-N 2.96Å; S283-E286 WeakPolarHBondContact OG-CG 3.18Å; S283-E286 PolarHBondContact OG-N 3.46Å; E286-K290 WeakPolarHBondContact O-CB 3.36Å; E286-K290 PolarHBondContact O-N 3.39Å |
| 287 | M | 82.1 | Confident | 72.6 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 178.3 | -178.4 | 177.8 | -67.4 | 0 | 0 | 111.6 | I236 L238 A281 S283 W284 Q285 A291 | I236-M287 HydrophobicContact CB-SD 4.23Å; I236-M287 HydrophobicContact CG2-SD 4.4Å; L238-M287 HydrophobicContact CD1-CG 3.53Å; L238-M287 HydrophobicContact CD1-SD 4Å; L238-M287 HydrophobicContact CG-SD 4.49Å; A281-M287 HydrophobicContact CB-CB 4.27Å; A281-M287 HydrophobicContact CB-CE 3.94Å; S283-M287 PolarHBondContact O-N 3.11Å; W284-M287 PolarHBondContact O-N 2.53Å; Q285-M287 PolarHBondContact O-N 2.77Å; M287-A291 PolarHBondContact O-N 2.9Å; M287-A291 VanDerWaalsContact O-N 3.13Å |
| 288 | L | 85.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.5 | -40.9 | 179.1 | -67.8 | 175.1 | 0 | 0 | 0 | 112.4 | L180 W184 L197 F205 I236 L238 W284 Q285 K290 A291 Q292 | L180-L288 HydrophobicContact CD1-CD1 3.36Å; W184-L288 HydrophobicContact CD2-CB 4.36Å; W184-L288 HydrophobicContact CD2-CD1 3.74Å; W184-L288 HydrophobicContact CE3-CD1 4.34Å; W184-L288 HydrophobicContact CG-CD1 3.97Å; W184-L288 HydrophobicContact CH2-CB 3.4Å; W184-L288 VanDerWaalsContact CH2-CB 3.4Å; W184-L288 HydrophobicContact CH2-CG 4.44Å; W184-L288 WeakPolarHBondContact CH2-O 3.28Å; W184-L288 HydrophobicContact CZ2-CB 3.22Å; W184-L288 HydrophobicContact CZ2-CD1 4.01Å; W184-L288 HydrophobicContact CZ2-CG 4.24Å; W184-L288 HydrophobicContact CZ3-CB 4.1Å; L197-L288 HydrophobicContact CD2-CB 4.39Å; L197-L288 HydrophobicContact CD2-CD2 3.52Å; F205-L288 HydrophobicContact CB-CD2 4.46Å; F205-L288 HydrophobicContact CD1-CD2 3.96Å; F205-L288 HydrophobicContact CD2-CD2 3.86Å; F205-L288 HydrophobicContact CE1-CD2 3.97Å; F205-L288 HydrophobicContact CE2-CD1 4.08Å; F205-L288 HydrophobicContact CE2-CD2 3.89Å; F205-L288 HydrophobicContact CG-CD2 3.86Å; F205-L288 HydrophobicContact CZ-CD1 3.89Å; F205-L288 HydrophobicContact CZ-CD2 3.93Å; I236-L288 HydrophobicContact CD1-CD1 3.48Å; I236-L288 VanDerWaalsContact CD1-CD1 3.48Å; I236-L288 HydrophobicContact CD1-CD2 3.83Å; I236-L288 HydrophobicContact CD1-CG 3.58Å; I236-L288 HydrophobicContact CG2-CD2 3.83Å; L238-L288 HydrophobicContact CD2-CD2 4.27Å; W284-L288 HydrophobicContact CE3-CD1 4.02Å; W284-L288 HydrophobicContact CZ3-CD1 4.45Å; W284-L288 WeakPolarHBondContact O-CG 3.42Å; W284-L288 PolarHBondContact O-N 3.21Å; W284-L288 VanDerWaalsContact O-N 3.13Å; Q285-L288 PolarHBondContact O-N 2.91Å; L288-K290 VanDerWaalsContact C-N 3.27Å; L288-K290 PolarHBondContact O-N 2.92Å; L288-A291 WeakPolarHBondContact O-CB 3.21Å; L288-A291 PolarHBondContact O-N 3.07Å; L288-A291 VanDerWaalsContact O-N 3.11Å; L288-Q292 PolarHBondContact O-N 3.42Å |
| 289 | E | 84.1 | Confident | 76.4 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 175.3 | -74.8 | -179.3 | -163 | 0 | 0 | 111.7 | Q285 Q292 K293 | Q285-E289 WeakPolarHBondContact CG-OE1 3.08Å; Q285-E289 PolarHBondContact NE2-OE1 3.4Å; Q285-E289 WeakPolarHBondContact O-CG 3.48Å; Q285-E289 PolarHBondContact O-N 3.23Å; E289-Q292 PolarHBondContact O-N 2.79Å; E289-K293 WeakPolarHBondContact O-CG 3.33Å; E289-K293 PolarHBondContact O-N 2.97Å |
| 290 | K | 83.4 | Confident | 78.4 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174.7 | -171.6 | -169.1 | 178.6 | -151.3 | 0 | 112 | K243 Q245 C276 E286 L288 K293 T294 | K243-K290 PolarHBondContact O-NZ 3.21Å; Q245-K290 HydrophobicContact CG-CG 4.23Å; Q245-K290 VanDerWaalsContact OE1-CE 3.29Å; C276-K290 VanDerWaalsContact SG-CE 3.59Å; C276-K290 PolarHBondContact SG-NZ 3.02Å; E286-K290 WeakPolarHBondContact O-CB 3.36Å; E286-K290 PolarHBondContact O-N 3.39Å; L288-K290 VanDerWaalsContact C-N 3.27Å; L288-K290 PolarHBondContact O-N 2.92Å; K290-K293 PolarHBondContact O-N 2.91Å; K290-T294 WeakPolarHBondContact O-CB 3.35Å; K290-T294 PolarHBondContact O-N 3.49Å; K290-T294 PolarHBondContact O-OG1 2.93Å |
| 291 | A | 85.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L197 L238 L242 M287 L288 T294 L295 | L197-A291 HydrophobicContact CD1-CB 3.95Å; L197-A291 HydrophobicContact CD2-CB 4.16Å; L238-A291 HydrophobicContact CD1-CB 3.83Å; L238-A291 HydrophobicContact CD2-CB 3.96Å; L242-A291 HydrophobicContact CB-CB 4.26Å; M287-A291 PolarHBondContact O-N 2.9Å; M287-A291 VanDerWaalsContact O-N 3.13Å; L288-A291 WeakPolarHBondContact O-CB 3.21Å; L288-A291 PolarHBondContact O-N 3.07Å; L288-A291 VanDerWaalsContact O-N 3.11Å; A291-T294 WeakPolarHBondContact O-CB 3.2Å; A291-T294 PolarHBondContact O-N 2.9Å; A291-L295 WeakPolarHBondContact O-CB 3.48Å; A291-L295 PolarHBondContact O-N 2.68Å |
| 292 | Q | 85.3 | Confident | 82 | Confident | 66 Ų | 66 | 54.6 Ų | 54.6 | 31% | 0.308 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.7 | -49 | 174.3 | -95.9 | -178.3 | -16.1 | 0 | 0 | 112.9 | W184 L197 L288 E289 T294 L295 L296 | W184-Q292 HydrophobicContact CH2-CB 4.27Å; W184-Q292 HydrophobicContact CH2-CG 3.42Å; W184-Q292 VanDerWaalsContact CH2-CG 3.42Å; W184-Q292 HydrophobicContact CZ3-CG 3.61Å; L197-Q292 VanDerWaalsContact O-CG 3.24Å; L197-Q292 WeakPolarHBondContact O-CG 3.29Å; L197-Q292 PolarHBondContact O-NE2 3.09Å; L288-Q292 PolarHBondContact O-N 3.42Å; E289-Q292 PolarHBondContact O-N 2.79Å; Q292-T294 PolarHBondContact O-N 3.5Å; Q292-L295 PolarHBondContact O-N 3.32Å; Q292-L295 VanDerWaalsContact O-N 3.14Å; Q292-L296 WeakPolarHBondContact O-CB 3.43Å; Q292-L296 PolarHBondContact O-N 3.38Å |
| 293 | K | 83.7 | Confident | 83.4 | Confident | 121 Ų | 121 | 55.6 Ų | 55.6 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 177.1 | -73.4 | 170.7 | -177.7 | 168.9 | 0 | 111.7 | E289 K290 L296 C297 | E289-K293 WeakPolarHBondContact O-CG 3.33Å; E289-K293 PolarHBondContact O-N 2.97Å; K290-K293 PolarHBondContact O-N 2.91Å; K293-L296 PolarHBondContact O-N 3.49Å; K293-C297 PolarHBondContact O-N 3.43Å; K293-C297 PolarHBondContact O-SG 3.48Å |
| 294 | T | 84.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 177.5 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | L242 K244 L246 K290 A291 Q292 C297 R298 | L242-T294 HydrophobicContact CD2-CG2 4.39Å; K244-T294 VanDerWaalsContact O-CG2 3.27Å; K244-T294 WeakPolarHBondContact O-CG2 3.36Å; K244-T294 PolarHBondContact O-OG1 2.93Å; K244-T294 VanDerWaalsContact O-OG1 3.08Å; L246-T294 HydrophobicContact CB-CG2 4.03Å; L246-T294 HydrophobicContact CD1-CG2 3.7Å; L246-T294 HydrophobicContact CG-CG2 3.79Å; L246-T294 PolarHBondContact N-OG1 3.37Å; K290-T294 WeakPolarHBondContact O-CB 3.35Å; K290-T294 PolarHBondContact O-N 3.49Å; K290-T294 PolarHBondContact O-OG1 2.93Å; A291-T294 WeakPolarHBondContact O-CB 3.2Å; A291-T294 PolarHBondContact O-N 2.9Å; Q292-T294 PolarHBondContact O-N 3.5Å; T294-C297 PolarHBondContact O-N 3.43Å; T294-R298 PolarHBondContact O-N 3.42Å; T294-R298 VanDerWaalsContact O-N 3.11Å |
| 295 | L | 83.5 | Confident | 83.8 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 177.2 | -178.1 | 63 | 0 | 0 | 0 | 112.1 | F199 N203 L242 A291 Q292 C297 R298 E299 | F199-L295 HydrophobicContact CB-CD2 3.87Å; F199-L295 HydrophobicContact CB-CG 4.21Å; N203-L295 HydrophobicContact CB-CD2 4Å; N203-L295 WeakPolarHBondContact ND2-CD1 3.38Å; N203-L295 WeakPolarHBondContact ND2-CD2 3.38Å; L242-L295 HydrophobicContact CD2-CB 4.41Å; A291-L295 WeakPolarHBondContact O-CB 3.48Å; A291-L295 PolarHBondContact O-N 2.68Å; Q292-L295 PolarHBondContact O-N 3.32Å; Q292-L295 VanDerWaalsContact O-N 3.14Å; L295-C297 VanDerWaalsContact C-N 3.31Å; L295-C297 PolarHBondContact O-N 2.92Å; L295-R298 WeakPolarHBondContact O-CB 3.2Å; L295-R298 PolarHBondContact O-N 2.94Å; L295-E299 PolarHBondContact O-N 2.94Å |
| 296 | L | 83.8 | Confident | 83.8 | Confident | 69 Ų | 69 | 68.1 Ų | 68.1 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.9 | -45 | 174.7 | 177.2 | 65.2 | 0 | 0 | 0 | 111.3 | F199 Q292 K293 R298 E299 L300 | F199-L296 HydrophobicContact CE1-CD1 4.27Å; F199-L296 HydrophobicContact CE2-CB 4.3Å; F199-L296 HydrophobicContact CE2-CD1 4.01Å; F199-L296 HydrophobicContact CZ-CD1 3.79Å; Q292-L296 WeakPolarHBondContact O-CB 3.43Å; Q292-L296 PolarHBondContact O-N 3.38Å; K293-L296 PolarHBondContact O-N 3.49Å; L296-R298 VanDerWaalsContact C-N 3.31Å; L296-R298 PolarHBondContact O-N 3.38Å; L296-E299 PolarHBondContact O-N 2.9Å; L296-L300 HydrophobicContact CD1-CD1 4.4Å; L296-L300 HydrophobicContact CD1-CG 4.39Å; L296-L300 HydrophobicContact CG-CD1 4.12Å; L296-L300 WeakPolarHBondContact O-CG 3.24Å; L296-L300 PolarHBondContact O-N 3.22Å |
| 297 | C | 83.6 | Confident | 83.7 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 11% | 0.108 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.8 | -69.3 | 0 | 0 | 0 | 0 | 111.5 | L246 K293 T294 L295 L300 F301 | L246-C297 HydrophobicContact CB-CB 4.04Å; K293-C297 PolarHBondContact O-N 3.43Å; K293-C297 PolarHBondContact O-SG 3.48Å; T294-C297 PolarHBondContact O-N 3.43Å; L295-C297 VanDerWaalsContact C-N 3.31Å; L295-C297 PolarHBondContact O-N 2.92Å; C297-L300 PolarHBondContact O-N 3.04Å; C297-F301 WeakPolarHBondContact O-CB 3.29Å; C297-F301 WeakPolarHBondContact O-CD2 3.21Å; C297-F301 PolarHBondContact O-N 3.34Å |
| 298 | R | 83.3 | Confident | 83.3 | Confident | 101 Ų | 101 | 66.7 Ų | 66.7 | 38% | 0.381 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 176.2 | -75.5 | 179.6 | 162.6 | -165.2 | -7.8 | 112.2 | D241 L246 T294 L295 L296 F301 S302 | D241-R298 IonicContact OD2-CZ 2.98Å; D241-R298 IonicContact OD2-NH1 2.71Å; D241-R298 PolarHBondContact OD2-NH1 3.19Å; D241-R298 IonicContact OD2-NH2 3.91Å; D241-R298 PolarHBondContact OD2-NH2 2.89Å; L246-R298 HydrophobicContact CD1-CG 3.6Å; T294-R298 PolarHBondContact O-N 3.42Å; T294-R298 VanDerWaalsContact O-N 3.11Å; L295-R298 WeakPolarHBondContact O-CB 3.2Å; L295-R298 PolarHBondContact O-N 2.94Å; L296-R298 VanDerWaalsContact C-N 3.31Å; L296-R298 PolarHBondContact O-N 3.38Å; R298-F301 PolarHBondContact O-N 3.44Å; R298-S302 WeakPolarHBondContact O-CB 3.36Å; R298-S302 PolarHBondContact O-N 3.03Å |
| 299 | E | 83 | Confident | 82.3 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 25% | 0.248 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 176.2 | -69.6 | -139 | 142.1 | 0 | 0 | 111.7 | F199 L295 L296 F301 S302 I303 | F199-E299 HydrophobicContact CB-CG 4.33Å; F199-E299 VanDerWaalsContact CD1-OE2 3.29Å; F199-E299 WeakPolarHBondContact CD1-OE2 3.4Å; L295-E299 PolarHBondContact O-N 2.94Å; L296-E299 PolarHBondContact O-N 2.9Å; E299-F301 PolarHBondContact O-N 3.18Å; E299-S302 WeakPolarHBondContact O-CB 3.47Å; E299-S302 PolarHBondContact O-N 3.49Å; E299-S302 VanDerWaalsContact O-N 3.09Å; E299-I303 WeakPolarHBondContact O-CG1 3.32Å; E299-I303 PolarHBondContact O-N 2.71Å |
| 300 | L | 85.6 | Confident | 81.1 | Confident | 70 Ų | 70 | 80.8 Ų | 80.8 | 37% | 0.366 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.9 | -47 | 176.5 | -71.9 | 171.9 | 0 | 0 | 0 | 111.6 | L248 L296 C297 S302 I303 V304 | L248-L300 HydrophobicContact CD2-CB 4.25Å; L248-L300 HydrophobicContact CD2-CD1 4.23Å; L296-L300 HydrophobicContact CD1-CD1 4.4Å; L296-L300 HydrophobicContact CD1-CG 4.39Å; L296-L300 HydrophobicContact CG-CD1 4.12Å; L296-L300 WeakPolarHBondContact O-CG 3.24Å; L296-L300 PolarHBondContact O-N 3.22Å; C297-L300 PolarHBondContact O-N 3.04Å; L300-S302 VanDerWaalsContact C-N 3.3Å; L300-S302 PolarHBondContact O-N 2.8Å; L300-I303 PolarHBondContact O-N 3.4Å; L300-V304 WeakPolarHBondContact O-CG2 3.47Å; L300-V304 PolarHBondContact O-N 3.46Å |
| 301 | F | 83 | Confident | 79.5 | Confident | 106 Ų | 106 | 82.3 Ų | 82.3 | 47% | 0.465 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 175.1 | -89.7 | -68.6 | 0 | 0 | 0 | 112.5 | L248 C297 R298 E299 V304 R305 | L248-F301 HydrophobicContact CB-CE2 4.17Å; L248-F301 HydrophobicContact CD1-CD1 4.17Å; L248-F301 HydrophobicContact CD1-CD2 4.07Å; L248-F301 HydrophobicContact CD1-CE1 3.56Å; L248-F301 HydrophobicContact CD1-CE2 3.44Å; L248-F301 VanDerWaalsContact CD1-CE2 3.44Å; L248-F301 HydrophobicContact CD1-CG 4.41Å; L248-F301 HydrophobicContact CD1-CZ 3.16Å; L248-F301 HydrophobicContact CG-CE2 4.39Å; L248-F301 HydrophobicContact CG-CZ 4.44Å; C297-F301 WeakPolarHBondContact O-CB 3.29Å; C297-F301 WeakPolarHBondContact O-CD2 3.21Å; C297-F301 PolarHBondContact O-N 3.34Å; R298-F301 PolarHBondContact O-N 3.44Å; E299-F301 PolarHBondContact O-N 3.18Å; F301-V304 PolarHBondContact O-N 2.86Å; F301-R305 VanDerWaalsContact O-CB 3.29Å; F301-R305 WeakPolarHBondContact O-CB 3.48Å; F301-R305 PolarHBondContact O-N 3.03Å |
| 302 | S | 83 | Confident | 77.6 | Confident | 50 Ų | 50 | 87 Ų | 87 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 176.2 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | R298 E299 L300 R305 K306 | R298-S302 WeakPolarHBondContact O-CB 3.36Å; R298-S302 PolarHBondContact O-N 3.03Å; E299-S302 WeakPolarHBondContact O-CB 3.47Å; E299-S302 PolarHBondContact O-N 3.49Å; E299-S302 VanDerWaalsContact O-N 3.09Å; L300-S302 VanDerWaalsContact C-N 3.3Å; L300-S302 PolarHBondContact O-N 2.8Å; S302-R305 PolarHBondContact O-N 3.26Å; S302-K306 VanDerWaalsContact O-CG 3.29Å; S302-K306 WeakPolarHBondContact O-CG 3.49Å; S302-K306 PolarHBondContact O-N 2.99Å |
| 303 | I | 84.6 | Confident | 75.9 | Confident | 92 Ų | 92 | 89.1 Ų | 89.1 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.4 | -51 | 175.5 | -66.2 | 164.7 | 0 | 0 | 0 | 110.2 | E299 L300 R305 K306 T307 | E299-I303 WeakPolarHBondContact O-CG1 3.32Å; E299-I303 PolarHBondContact O-N 2.71Å; L300-I303 PolarHBondContact O-N 3.4Å; I303-R305 VanDerWaalsContact C-N 3.3Å; I303-R305 PolarHBondContact O-N 3.28Å; I303-K306 WeakPolarHBondContact O-CB 3.49Å; I303-K306 PolarHBondContact O-N 2.93Å; I303-T307 HydrophobicContact CG2-CG2 4.31Å; I303-T307 PolarHBondContact O-N 2.85Å; I303-T307 PolarHBondContact O-OG1 3.42Å |
| 304 | V | 84.5 | Confident | 73.6 | Confident | 89 Ų | 89 | 92.2 Ų | 92.2 | 54% | 0.539 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 178.7 | 173 | 0 | 0 | 0 | 0 | 111.4 | L300 F301 K306 T307 G308 | L300-V304 WeakPolarHBondContact O-CG2 3.47Å; L300-V304 PolarHBondContact O-N 3.46Å; F301-V304 PolarHBondContact O-N 2.86Å; V304-K306 VanDerWaalsContact C-N 3.33Å; V304-K306 PolarHBondContact O-N 2.94Å; V304-T307 WeakPolarHBondContact CA-OG1 3.42Å; V304-T307 PolarHBondContact O-N 3.01Å; V304-T307 PolarHBondContact O-OG1 3.46Å; V304-T307 VanDerWaalsContact O-OG1 3.04Å; V304-G308 PolarHBondContact O-N 3.49Å |
| 305 | R | 81.5 | Confident | 71.1 | Confident | 173 Ų | 173 | 101 Ų | 101 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -36.4 | 175.6 | -174.9 | -178.9 | 175.7 | 107.3 | -5 | 112.3 | F301 S302 I303 R309 | F301-R305 VanDerWaalsContact O-CB 3.29Å; F301-R305 WeakPolarHBondContact O-CB 3.48Å; F301-R305 PolarHBondContact O-N 3.03Å; S302-R305 PolarHBondContact O-N 3.26Å; I303-R305 VanDerWaalsContact C-N 3.3Å; I303-R305 PolarHBondContact O-N 3.28Å; R305-R309 PolarHBondContact O-N 2.94Å |
| 306 | K | 84.4 | Confident | 68.8 | Low | 139 Ų | 139 | 112.6 Ų | 112.6 | 60% | 0.604 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73.3 | -41.3 | 177.5 | -75 | 173.5 | -177.5 | 178.2 | 0 | 112.1 | S302 I303 V304 | S302-K306 VanDerWaalsContact O-CG 3.29Å; S302-K306 WeakPolarHBondContact O-CG 3.49Å; S302-K306 PolarHBondContact O-N 2.99Å; I303-K306 WeakPolarHBondContact O-CB 3.49Å; I303-K306 PolarHBondContact O-N 2.93Å; V304-K306 VanDerWaalsContact C-N 3.33Å; V304-K306 PolarHBondContact O-N 2.94Å |
| 307 | T | 79.4 | Confident | 68 | Low | 82 Ų | 82 | 114.8 Ų | 114.8 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.1 | -39.2 | 177.7 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | I303 V304 R309 K310 A311 | I303-T307 HydrophobicContact CG2-CG2 4.31Å; I303-T307 PolarHBondContact O-N 2.85Å; I303-T307 PolarHBondContact O-OG1 3.42Å; V304-T307 WeakPolarHBondContact CA-OG1 3.42Å; V304-T307 PolarHBondContact O-N 3.01Å; V304-T307 PolarHBondContact O-OG1 3.46Å; V304-T307 VanDerWaalsContact O-OG1 3.04Å; T307-R309 VanDerWaalsContact C-N 3.27Å; T307-R309 PolarHBondContact O-N 3.06Å; T307-K310 WeakPolarHBondContact O-CA 3.21Å; T307-K310 PolarHBondContact O-N 3.02Å; T307-A311 PolarHBondContact O-N 3.47Å |
| 308 | G | 75.1 | Confident | 67.2 | Low | 51 Ų | 51 | 120 Ų | 120 | 53% | 0.526 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.4 | -31.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | V304 K310 | V304-G308 PolarHBondContact O-N 3.49Å; G308-K310 VanDerWaalsContact C-N 3.32Å |
| 309 | R | 63.6 | Low | 66.3 | Low | 188 Ų | 188 | 121.1 Ų | 121.1 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -20.6 | 172.8 | -72.4 | -177.6 | -174 | -171.7 | -2.5 | 114 | R305 T307 | R305-R309 PolarHBondContact O-N 2.94Å; T307-R309 VanDerWaalsContact C-N 3.27Å; T307-R309 PolarHBondContact O-N 3.06Å |
| 310 | K | 59.4 | Low | 65.3 | Low | 180 Ų | 180 | 125.1 Ų | 125.1 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -2.9 | -179.4 | -72.6 | -171 | 177 | -172.1 | 0 | 113.2 | T307 G308 P312 | T307-K310 WeakPolarHBondContact O-CA 3.21Å; T307-K310 PolarHBondContact O-N 3.02Å; G308-K310 VanDerWaalsContact C-N 3.32Å; K310-P312 WeakPolarHBondContact O-CD 2.93Å |
| 311 | A | 50.6 | Low | 64 | Low | 71 Ų | 71 | 128.5 Ų | 128.5 | 59% | 0.587 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -82.2 | 98.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | T307 A313 | T307-A311 PolarHBondContact O-N 3.47Å; A311-A313 PolarHBondContact O-N 3.41Å |
| 312 | P | 45.2 | Very low | 62.8 | Low | 99 Ų | 99 | 130 Ų | 130 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | trans | -61.4 | 138.2 | 165.8 | 28.9 | -34.4 | 0 | 0 | 0 | 107.8 | K310 K314 | K310-P312 WeakPolarHBondContact O-CD 2.93Å; P312-K314 PolarHBondContact O-N 2.72Å | ||
| 313 | A | 48.1 | Very low | 61.3 | Low | 111 Ų | 111 | 135.7 Ų | 135.7 | 92% | 0.917 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -52.3 | 85.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A311 | A311-A313 PolarHBondContact O-N 3.41Š|
| 314 | K | 35.1 | Very low | 59.6 | Low | 186 Ų | 186 | 139.1 Ų | 139.1 | 81% | 0.809 | 73% | 0.732 | S | S | * | * | trans | -131.7 | 73.3 | 170 | -84.7 | -168.2 | 174.7 | -176.3 | 0 | 107.3 | P312 | P312-K314 PolarHBondContact O-N 2.72Š| ||
| 315 | M | 33.6 | Very low | 57.5 | Low | 185 Ų | 185 | 143.3 Ų | 143.3 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | trans | -170.6 | 117.2 | 150.3 | -107.3 | 178 | 175 | 0 | 0 | 107.2 | ||||
| 316 | L | 33.6 | Very low | 55.3 | Low | 254 Ų | 254 | 140.5 Ų | 140.5 | 100% | 1.33 | 76% | 0.757 | S | S | * | * | trans | 81.3 | 0 | -172.6 | -60.3 | 168.1 | 0 | 0 | 0 | 115.8 |
Retrieved 316 of 316 residues in 158.8 ms
(Link to these results)