| 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 | 36.5 | Very low | 33.4 | Very low | 247 Ų | 247 | 153.3 Ų | 153.3 | 100% | 1.217 | 85% | 0.85 | S | S | * | * | 0 | 114.5 | 0 | -71 | 170.7 | 174.9 | 0 | 0 | 107.2 | |||||
| 2 | M | 27.7 | Very low | 33.1 | Very low | 182 Ų | 182 | 156.2 Ų | 156.2 | 90% | 0.897 | 85% | 0.848 | S | S | * | * | trans | -57.6 | 154.5 | 172.6 | -80.7 | 85.2 | 150.1 | 0 | 0 | 110.8 | ||||
| 3 | L | 35.7 | Very low | 33.3 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 84% | 0.838 | 85% | 0.845 | S | S | * | * | trans | 164.3 | 105.5 | 137 | -84.1 | 161.7 | 0 | 0 | 0 | 106.7 | ||||
| 4 | K | 34.3 | Very low | 33.3 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 74% | 0.743 | 84% | 0.838 | S | S | * | * | 111.4 | 109.6 | 67.2 | -152.9 | 118.5 | 172.5 | -179.5 | 0 | 107.1 | |||||
| 5 | Q | 31.3 | Very low | 33 | Very low | 198 Ų | 198 | 148.2 Ų | 148.2 | 93% | 0.925 | 84% | 0.838 | S | S | * | * | trans | -92.6 | 115.4 | 169.1 | -77.4 | -179.2 | -26.8 | 0 | 0 | 107.7 | ||||
| 6 | D | 35.9 | Very low | 33 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 83% | 0.832 | S | S | * | * | trans | -112.8 | 126.5 | 159.4 | -57.3 | -57.8 | 0 | 0 | 0 | 104.3 | ||||
| 7 | G | 29.1 | Very low | 33.1 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 83% | 0.833 | S | S | * | * | cis | 111.4 | 97.5 | 32.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 8 | S | 36.9 | Very low | 32.8 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 84% | 0.836 | S | S | * | * | trans | -178.3 | 95 | 149.4 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 9 | D | 33.5 | Very low | 32.7 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | 47.5 | 107.3 | 128.6 | -66.1 | -56.7 | 0 | 0 | 0 | 123.3 | |||||
| 10 | S | 32.4 | Very low | 32.8 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | 34.9 | 108.2 | 110.2 | -63.3 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 11 | T | 34.8 | Very low | 32.8 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | -150.8 | 113.4 | 129.4 | 27.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 12 | K | 29.3 | Very low | 32.6 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 122.9 | 172.8 | 179 | -173.2 | -175.2 | -172.7 | 0 | 108.2 | T14 | K12-T14 PolarHBondContact O-N 3.08Š|
| 13 | P | 35.3 | Very low | 32.7 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 118 | 167.5 | 30.1 | -27.7 | 0 | 0 | 0 | 109.3 | ||
| 14 | T | 34.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 148.5 | 166.5 | 45.1 | 0 | 0 | 0 | 0 | 111.1 | K12 | K12-T14 PolarHBondContact O-N 3.08Š|
| 15 | A | 28.9 | Very low | 32.3 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 132.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 16 | S | 33.1 | Very low | 32.2 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -141.7 | 117.3 | 149.3 | 78.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 17 | T | 33.7 | Very low | 31.9 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | 22.2 | 119.9 | 139.4 | 41.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 18 | G | 28.7 | Very low | 32 | Very low | 87 Ų | 87 | 139 Ų | 139 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | 84.1 | 79.7 | 135.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 19 | G | 31.3 | Very low | 31.8 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 178.8 | 115.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 20 | K | 34.2 | Very low | 32 | Very low | 208 Ų | 208 | 136.6 Ų | 136.6 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -56.8 | 125.9 | -179.9 | -60.7 | 167.9 | -178.5 | -178.4 | 0 | 110 | L22 | K20-L22 PolarHBondContact O-N 2.77Å; K20-L22 VanDerWaalsContact O-N 3.14Å | ||
| 21 | P | 32.7 | Very low | 32.4 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -74 | 110.2 | 175.6 | 27.6 | -31.1 | 0 | 0 | 0 | 110.2 | F23 | P21-F23 PolarHBondContact O-N 3.44Š| ||
| 22 | L | 32.2 | Very low | 32.5 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | trans | -57.1 | 119.9 | 162.1 | -97.6 | 149.1 | 0 | 0 | 0 | 108.9 | K20 R24 | K20-L22 PolarHBondContact O-N 2.77Å; K20-L22 VanDerWaalsContact O-N 3.14Å; L22-R24 PolarHBondContact O-N 3.11Å | ||
| 23 | F | 30 | Very low | 32.7 | Very low | 210 Ų | 210 | 123.4 Ų | 123.4 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | trans | -55.3 | 104.4 | 173.2 | -108 | -99.2 | 0 | 0 | 0 | 110.1 | P21 | P21-F23 PolarHBondContact O-N 3.44Š| ||
| 24 | R | 29.6 | Very low | 32.7 | Very low | 227 Ų | 227 | 121.6 Ų | 121.6 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | trans | -76.5 | 129.2 | 165.8 | -72.8 | 168.7 | 74.3 | -143.3 | 5.8 | 108.7 | L22 | L22-R24 PolarHBondContact O-N 3.11Š| ||
| 25 | P | 30.8 | Very low | 32.9 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | trans | -81.4 | 141.1 | -178.6 | 32.8 | -30.8 | 0 | 0 | 0 | 110.7 | ||||
| 26 | W | 29 | Very low | 33.1 | Very low | 172 Ų | 172 | 118.2 Ų | 118.2 | 65% | 0.652 | 68% | 0.68 | S | S | * | * | trans | 36.9 | 105.3 | 159.3 | -72.7 | -0.3 | 0 | 0 | 0 | 118.1 | A50 | W26-A50 HydrophobicContact CE3-CB 4.04Å; W26-A50 HydrophobicContact CZ3-CB 3.91Å | ||
| 27 | C | 31.5 | Very low | 33.2 | Very low | 122 Ų | 122 | 115 Ų | 115 | 82% | 0.824 | 67% | 0.665 | S | S | * | * | trans | -86.9 | 120 | 158.1 | -69.5 | 0 | 0 | 0 | 0 | 108.9 | A29 | C27-A29 PolarHBondContact O-N 3.44Š| ||
| 28 | D | 30.5 | Very low | 33.4 | Very low | 123 Ų | 123 | 116.6 Ų | 116.6 | 66% | 0.658 | 67% | 0.668 | S | S | * | * | trans | -55.7 | 121 | 156.9 | -61.7 | -71.1 | 0 | 0 | 0 | 108.5 | ||||
| 29 | A | 33.3 | Very low | 34.2 | Very low | 62 Ų | 62 | 120.2 Ų | 120.2 | 51% | 0.512 | 67% | 0.667 | S | S | . | * | trans | -109 | 90.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | C27 | C27-A29 PolarHBondContact O-N 3.44Š| ||
| 30 | E | 37.3 | Very low | 34.6 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 70% | 0.696 | 67% | 0.668 | S | S | * | * | trans | -73.5 | 128.9 | 168.4 | -57.2 | -176.1 | 127.2 | 0 | 0 | 108.3 | ||||
| 31 | T | 40.1 | Very low | 34.6 | Very low | 41 Ų | 41 | 119.9 Ų | 119.9 | 25% | 0.252 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 110.1 | 174.7 | -51.2 | 0 | 0 | 0 | 0 | 109 | V33 V46 L59 | T31-V33 HydrophobicContact CG2-CG2 4.4Å; T31-V46 PolarHBondContact O-N 3.06Å; T31-V46 VanDerWaalsContact O-N 3.16Å; T31-L59 HydrophobicContact CG2-CD2 4.02Å; T31-L59 WeakPolarHBondContact OG1-CD2 3.27Å |
| 32 | T | 36.7 | Very low | 34.9 | Very low | 75 Ų | 75 | 117.5 Ų | 117.5 | 46% | 0.46 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.1 | 169.4 | 48.2 | 0 | 0 | 0 | 0 | 108.8 | T45 | T32-T45 HydrophobicContact CG2-CG2 4Å |
| 33 | V | 34.1 | Very low | 35.1 | Very low | 47 Ų | 47 | 116.5 Ų | 116.5 | 29% | 0.285 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 116.6 | 168.7 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | T31 V35 L44 | T31-V33 HydrophobicContact CG2-CG2 4.4Å; V33-V35 HydrophobicContact CG1-CG2 4.26Å; V33-L44 PolarHBondContact N-O 2.82Å; V33-L44 PolarHBondContact O-N 2.91Å; V33-L44 VanDerWaalsContact O-O 3.06Å |
| 34 | V | 35.9 | Very low | 35.2 | Very low | 87 Ų | 87 | 111.5 Ų | 111.5 | 53% | 0.527 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 114 | 172.4 | -176.7 | 0 | 0 | 0 | 0 | 106.9 | K43 | V34-K43 HydrophobicContact CG2-CG 4.32Å |
| 35 | V | 36.6 | Very low | 35.4 | Very low | 68 Ų | 68 | 104.4 Ų | 104.4 | 41% | 0.412 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 109.5 | 170.4 | -176.5 | 0 | 0 | 0 | 0 | 106.6 | V33 S42 L44 | V33-V35 HydrophobicContact CG1-CG2 4.26Å; V35-S42 PolarHBondContact N-O 3.48Å; V35-L44 HydrophobicContact CG2-CD1 4.43Å |
| 36 | A | 34 | Very low | 35.7 | Very low | 84 Ų | 84 | 101.8 Ų | 101.8 | 69% | 0.694 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 106.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 37 | G | 34.4 | Very low | 35.9 | Very low | 40 Ų | 40 | 97.6 Ų | 97.6 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 142.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | D39 Q40 | G37-D39 PolarHBondContact O-N 2.81Å; G37-Q40 PolarHBondContact O-N 3.14Å; G37-Q40 VanDerWaalsContact O-N 3.14Å |
| 38 | D | 39.6 | Very low | 36.2 | Very low | 169 Ų | 169 | 98.1 Ų | 98.1 | 90% | 0.904 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -10 | -156.4 | -73.9 | -71.5 | 0 | 0 | 0 | 118.3 | ||
| 39 | D | 44.2 | Very low | 36.2 | Very low | 162 Ų | 162 | 95.5 Ų | 95.5 | 87% | 0.866 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 1.3 | 175.8 | -72.4 | -53.8 | 0 | 0 | 0 | 116.4 | G37 | G37-D39 PolarHBondContact O-N 2.81Š|
| 40 | Q | 39.7 | Very low | 36.2 | Very low | 162 Ų | 162 | 95.6 Ų | 95.6 | 76% | 0.757 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -151.8 | 119 | 168.7 | -71 | -157.1 | -0.5 | 0 | 0 | 112.3 | G37 S42 | G37-Q40 PolarHBondContact O-N 3.14Å; G37-Q40 VanDerWaalsContact O-N 3.14Å; Q40-S42 PolarHBondContact O-N 3.01Å; Q40-S42 VanDerWaalsContact O-N 3.11Å |
| 41 | T | 34.9 | Very low | 36.2 | Very low | 110 Ų | 110 | 90.7 Ų | 90.7 | 68% | 0.675 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.5 | 94.4 | 173.1 | 45.5 | 0 | 0 | 0 | 0 | 110.4 | K43 | T41-K43 PolarHBondContact O-N 3.43Å |
| 42 | S | 38.8 | Very low | 36.3 | Very low | 73 Ų | 73 | 94.6 Ų | 94.6 | 51% | 0.51 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84 | 111 | 170.4 | -70.3 | 0 | 0 | 0 | 0 | 109.8 | V35 Q40 L44 | V35-S42 PolarHBondContact N-O 3.48Å; Q40-S42 PolarHBondContact O-N 3.01Å; Q40-S42 VanDerWaalsContact O-N 3.11Å; S42-L44 PolarHBondContact O-N 3.02Å |
| 43 | K | 35.7 | Very low | 36.5 | Very low | 146 Ų | 146 | 100.6 Ų | 100.6 | 64% | 0.635 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 107.7 | 178.6 | -159.8 | 172.7 | -171.3 | 179.9 | 0 | 109.2 | V34 T41 | V34-K43 HydrophobicContact CG2-CG 4.32Å; T41-K43 PolarHBondContact O-N 3.43Å |
| 44 | L | 33.5 | Very low | 37 | Very low | 104 Ų | 104 | 101 Ų | 101 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 107.9 | 173.7 | -92.2 | 149.3 | 0 | 0 | 0 | 108.9 | V33 V35 S42 | V33-L44 PolarHBondContact N-O 2.82Å; V33-L44 PolarHBondContact O-N 2.91Å; V33-L44 VanDerWaalsContact O-O 3.06Å; V35-L44 HydrophobicContact CG2-CD1 4.43Å; S42-L44 PolarHBondContact O-N 3.02Å |
| 45 | T | 33.7 | Very low | 36.9 | Very low | 78 Ų | 78 | 98.7 Ų | 98.7 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.2 | 172.7 | -52.1 | 0 | 0 | 0 | 0 | 108.7 | T32 | T32-T45 HydrophobicContact CG2-CG2 4Å |
| 46 | V | 36.6 | Very low | 36.9 | Very low | 63 Ų | 63 | 106.5 Ų | 106.5 | 38% | 0.382 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.2 | 104.6 | 171.8 | -175.6 | 0 | 0 | 0 | 0 | 108 | T31 Y48 | T31-V46 PolarHBondContact O-N 3.06Å; T31-V46 VanDerWaalsContact O-N 3.16Å; V46-Y48 HydrophobicContact CB-CE2 4.36Å; V46-Y48 HydrophobicContact CG1-CD2 4.06Å; V46-Y48 HydrophobicContact CG1-CE2 3.5Å; V46-Y48 VanDerWaalsContact CG1-CE2 3.5Å |
| 47 | S | 33.2 | Very low | 37.1 | Very low | 85 Ų | 85 | 110.6 Ų | 110.6 | 59% | 0.594 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 117.8 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 48 | Y | 37.5 | Very low | 37.4 | Very low | 133 Ų | 133 | 112.6 Ų | 112.6 | 52% | 0.522 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -91.4 | 123.9 | 169.1 | -71.4 | -89.5 | 0 | 0 | 0 | 109.1 | V46 | V46-Y48 HydrophobicContact CB-CE2 4.36Å; V46-Y48 HydrophobicContact CG1-CD2 4.06Å; V46-Y48 HydrophobicContact CG1-CE2 3.5Å; V46-Y48 VanDerWaalsContact CG1-CE2 3.5Å |
| 49 | G | 31.2 | Very low | 37.5 | Very low | 67 Ų | 67 | 107.6 Ų | 107.6 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 140.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | G51 | G49-G51 PolarHBondContact O-N 3.04Š|
| 50 | A | 33 | Very low | 37.2 | Very low | 64 Ų | 64 | 103.2 Ų | 103.2 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.7 | 116.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W26 | W26-A50 HydrophobicContact CE3-CB 4.04Å; W26-A50 HydrophobicContact CZ3-CB 3.91Å |
| 51 | G | 37.3 | Very low | 37.1 | Very low | 46 Ų | 46 | 97.9 Ų | 97.9 | 47% | 0.474 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 154.6 | -11.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G49 | G49-G51 PolarHBondContact O-N 3.04Š|
| 52 | H | 41.1 | Very low | 37.4 | Very low | 123 Ų | 123 | 95.1 Ų | 95.1 | 57% | 0.569 | 54% | 0.543 | S | S | * | . | trans | -97.8 | 121.3 | -171.5 | -118.8 | -98.3 | 0 | 0 | 0 | 112.6 | V54 | H52-V54 HydrophobicContact CB-CG2 3.72Å; H52-V54 PolarHBondContact O-N 3.16Å | ||
| 53 | Q | 42.1 | Very low | 37.3 | Very low | 201 Ų | 201 | 94.2 Ų | 94.2 | 94% | 0.939 | 54% | 0.54 | S | S | * | . | trans | -72.6 | 74.4 | 162.5 | -81.5 | -112.5 | -28.3 | 0 | 0 | 108.6 | G55 | Q53-G55 PolarHBondContact O-N 3.48Š| ||
| 54 | V | 44.1 | Very low | 37.5 | Very low | 56 Ų | 56 | 90.6 Ų | 90.6 | 34% | 0.339 | 54% | 0.537 | S | S | . | . | trans | -80.7 | 98.1 | 169 | -167.2 | 0 | 0 | 0 | 0 | 106.4 | H52 R56 H58 L59 | H52-V54 HydrophobicContact CB-CG2 3.72Å; H52-V54 PolarHBondContact O-N 3.16Å; V54-R56 PolarHBondContact O-N 3.43Å; V54-H58 HydrophobicContact CG1-CB 3.37Å; V54-L59 HydrophobicContact CG1-CG 4.31Å | ||
| 55 | G | 34.3 | Very low | 38 | Very low | 39 Ų | 39 | 90.8 Ų | 90.8 | 40% | 0.402 | 55% | 0.547 | S | S | . | . | trans | -53.5 | 140.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q53 H57 H58 | Q53-G55 PolarHBondContact O-N 3.48Å; G55-H57 PolarHBondContact O-N 3.01Å; G55-H58 PolarHBondContact O-N 3.48Å | ||
| 56 | R | 36.7 | Very low | 38.4 | Very low | 232 Ų | 232 | 93.4 Ų | 93.4 | 88% | 0.875 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -46.6 | -22.4 | -176.9 | -79.1 | 179.1 | 169.3 | 178.4 | -5.2 | 114.9 | V54 | V54-R56 PolarHBondContact O-N 3.43Å |
| 57 | H | 38.7 | Very low | 38.6 | Very low | 170 Ų | 170 | 96.5 Ų | 96.5 | 79% | 0.787 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.9 | -22.6 | 176.2 | -65.9 | -80.2 | 0 | 0 | 0 | 115 | G55 | G55-H57 PolarHBondContact O-N 3.01Å |
| 58 | H | 40.2 | Very low | 38.6 | Very low | 82 Ų | 82 | 95.7 Ų | 95.7 | 38% | 0.38 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -81.7 | -22.9 | 179.8 | -71.2 | -66.8 | 0 | 0 | 0 | 113.3 | V54 G55 A60 F271 | V54-H58 HydrophobicContact CG1-CB 3.37Å; G55-H58 PolarHBondContact O-N 3.48Å; H58-A60 VanDerWaalsContact C-N 3.32Å; H58-F271 AromaticContact CE1-CD1 3.59Å; H58-F271 AromaticContact CE1-CG 3.5Å; H58-F271 VanDerWaalsContact CE1-CG 3.5Å; H58-F271 WeakPolarHBondContact CE1-CG 3.48Å; H58-F271 AromaticContact ND1-CD1 3.98Å |
| 59 | L | 40.7 | Very low | 38.5 | Very low | 64 Ų | 64 | 98.1 Ų | 98.1 | 34% | 0.335 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.4 | -28.6 | 175.6 | -94.7 | 153.1 | 0 | 0 | 0 | 112.8 | T31 V54 | T31-L59 HydrophobicContact CG2-CD2 4.02Å; T31-L59 WeakPolarHBondContact OG1-CD2 3.27Å; V54-L59 HydrophobicContact CG1-CG 4.31Å |
| 60 | A | 38.9 | Very low | 38.5 | Very low | 70 Ų | 70 | 98.9 Ų | 98.9 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -79.7 | -30.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H58 | H58-A60 VanDerWaalsContact C-N 3.32Å |
| 61 | A | 38.1 | Very low | 38.6 | Very low | 49 Ų | 49 | 102.8 Ų | 102.8 | 41% | 0.405 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -76.8 | -28.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A63 A64 S65 | A61-A63 VanDerWaalsContact C-N 3.32Å; A61-A63 PolarHBondContact O-N 3.02Å; A61-A64 PolarHBondContact O-N 3.45Å; A61-S65 PolarHBondContact O-OG 3.2Å |
| 62 | A | 39.5 | Very low | 38.4 | Very low | 53 Ų | 53 | 109 Ų | 109 | 44% | 0.438 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.1 | -26.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 63 | A | 37.8 | Very low | 37.9 | Very low | 53 Ų | 53 | 106.3 Ų | 106.3 | 44% | 0.438 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -78 | -26.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A61 | A61-A63 VanDerWaalsContact C-N 3.32Å; A61-A63 PolarHBondContact O-N 3.02Å |
| 64 | A | 39.4 | Very low | 37.5 | Very low | 70 Ų | 70 | 102.4 Ų | 102.4 | 58% | 0.579 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85 | -16.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A61 I66 | A61-A64 PolarHBondContact O-N 3.45Å; A64-I66 PolarHBondContact O-N 3.34Å |
| 65 | S | 44.4 | Very low | 36.7 | Very low | 108 Ų | 108 | 106.4 Ų | 106.4 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 1.6 | -172.5 | -56.1 | 0 | 0 | 0 | 0 | 114.7 | A61 | A61-S65 PolarHBondContact O-OG 3.2Š|
| 66 | I | 42.3 | Very low | 36.7 | Very low | 133 Ų | 133 | 109.9 Ų | 109.9 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -10.1 | -180 | -56.2 | 175.6 | 0 | 0 | 0 | 111.4 | A64 | A64-I66 PolarHBondContact O-N 3.34Š|
| 67 | V | 39.8 | Very low | 36.5 | Very low | 129 Ų | 129 | 104.7 Ų | 104.7 | 78% | 0.782 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -112.8 | 88.4 | -177.3 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 68 | G | 33.3 | Very low | 36.1 | Very low | 67 Ų | 67 | 101.6 Ų | 101.6 | 69% | 0.691 | 68% | 0.677 | S | S | * | * | trans | -175.9 | 34.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 69 | L | 36.3 | Very low | 35.7 | Very low | 185 Ų | 185 | 108.9 Ų | 108.9 | 97% | 0.969 | 70% | 0.701 | S | S | * | * | trans | -150.2 | 108.4 | 166.4 | -76.6 | 172.8 | 0 | 0 | 0 | 108 | ||||
| 70 | G | 31.6 | Very low | 35.2 | Very low | 83 Ų | 83 | 113.8 Ų | 113.8 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | trans | 166.2 | 67.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 71 | D | 33.7 | Very low | 34.7 | Very low | 146 Ų | 146 | 118.4 Ų | 118.4 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | -136.6 | 148.6 | 153.1 | -151.9 | -68.9 | 0 | 0 | 0 | 107 | ||||
| 72 | Q | 33.9 | Very low | 34.4 | Very low | 175 Ų | 175 | 126.7 Ų | 126.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 85.3 | 106.1 | -166.5 | -47.2 | -64.5 | -13.7 | 0 | 0 | 115.3 | ||
| 73 | G | 31.4 | Very low | 34.2 | Very low | 68 Ų | 68 | 129.8 Ų | 129.8 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -73.1 | -167.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 74 | S | 32 | Very low | 34 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | 89.9 | 113.3 | -171.5 | 81.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 75 | V | 28.1 | Very low | 34 | Very low | 140 Ų | 140 | 133 Ų | 133 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -65 | 137.5 | 177.6 | 176 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 76 | P | 33.7 | Very low | 33.5 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -131.4 | 115.8 | 132 | 32.2 | -19.7 | 0 | 0 | 0 | 111.7 | ||||
| 77 | T | 33.5 | Very low | 33.5 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 10.4 | 120.8 | 138 | 5.9 | 0 | 0 | 0 | 0 | 117.3 | R79 | T77-R79 PolarHBondContact O-N 3.38Å; T77-R79 VanDerWaalsContact O-N 3.08Å | ||
| 78 | A | 29 | Very low | 33.4 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 88% | 0.876 | 76% | 0.757 | S | S | * | * | trans | -3 | 91.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 79 | R | 32.4 | Very low | 33.8 | Very low | 234 Ų | 234 | 128.7 Ų | 128.7 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -147.5 | 106.6 | 156.6 | -105.7 | -179.6 | 172.3 | -174.7 | -2.5 | 109.4 | T77 L81 | T77-R79 PolarHBondContact O-N 3.38Å; T77-R79 VanDerWaalsContact O-N 3.08Å; R79-L81 PolarHBondContact O-N 3.4Å | ||
| 80 | Q | 30.5 | Very low | 33.9 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | 29.1 | 92.9 | 145.3 | -69.2 | -98.7 | -20.4 | 0 | 0 | 114.7 | R82 | Q80-R82 PolarHBondContact O-N 2.99Š| ||
| 81 | L | 28.8 | Very low | 34.3 | Very low | 166 Ų | 166 | 126 Ų | 126 | 87% | 0.869 | 71% | 0.709 | S | S | * | * | trans | -69.4 | 84.3 | 160.1 | -130.6 | 88 | 0 | 0 | 0 | 107.4 | R79 L83 | R79-L81 PolarHBondContact O-N 3.4Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.15Å | ||
| 82 | R | 31.4 | Very low | 34.7 | Very low | 223 Ų | 223 | 129.4 Ų | 129.4 | 84% | 0.842 | 71% | 0.711 | S | S | * | * | trans | -61.7 | 101.4 | 160.3 | -89.1 | -179.8 | 176.3 | 161.7 | -1.7 | 105.9 | Q80 | Q80-R82 PolarHBondContact O-N 2.99Š| ||
| 83 | L | 36.2 | Very low | 35.2 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 62% | 0.618 | 71% | 0.706 | S | S | * | * | trans | -53.2 | 140.3 | 158.5 | -82.7 | 90.3 | 0 | 0 | 0 | 107.3 | L81 A85 L90 | L81-L83 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.15Å; L83-A85 PolarHBondContact O-N 3.4Å; L83-L90 HydrophobicContact CD2-CD2 4.28Å | ||
| 84 | P | 32.1 | Very low | 35.8 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 53% | 0.532 | 70% | 0.703 | S | S | . | * | trans | -53.6 | 123.4 | 178.5 | 22.6 | -31.9 | 0 | 0 | 0 | 108.1 | D86 | P84-D86 PolarHBondContact O-N 3.31Š| ||
| 85 | A | 39.4 | Very low | 36.5 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 89% | 0.893 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -68 | 22 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L83 P87 | L83-A85 PolarHBondContact O-N 3.4Å; A85-P87 VanDerWaalsContact O-CD 3.27Å; A85-P87 WeakPolarHBondContact O-CD 3.33Å |
| 86 | D | 33.8 | Very low | 37.2 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 52% | 0.519 | 67% | 0.674 | S | S | . | * | trans | -98.9 | 100.8 | -176.9 | -132.5 | -35.8 | 0 | 0 | 0 | 108.6 | P84 A88 L89 | P84-D86 PolarHBondContact O-N 3.31Å; D86-A88 PolarHBondContact O-N 3.37Å; D86-L89 PolarHBondContact O-N 3.37Å | ||
| 87 | P | 42.9 | Very low | 37.5 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 57% | 0.565 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -57.6 | -24.7 | -175.5 | 22.1 | -32.1 | 0 | 0 | 0 | 112.1 | A85 L89 L90 F91 | A85-P87 VanDerWaalsContact O-CD 3.27Å; A85-P87 WeakPolarHBondContact O-CD 3.33Å; P87-L89 VanDerWaalsContact C-N 3.34Å; P87-L89 PolarHBondContact O-N 3.5Å; P87-L90 PolarHBondContact O-N 3.09Å; P87-F91 WeakPolarHBondContact O-CD2 3Å; P87-F91 PolarHBondContact O-N 3.42Å |
| 88 | A | 38.3 | Very low | 37.6 | Very low | 65 Ų | 65 | 122.5 Ų | 122.5 | 54% | 0.537 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.3 | -28.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | D86 | D86-A88 PolarHBondContact O-N 3.37Å |
| 89 | L | 41.9 | Very low | 38.3 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 52% | 0.518 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -85.2 | -31.3 | 179.8 | -75.3 | 179.7 | 0 | 0 | 0 | 113.1 | D86 P87 F91 R92 | D86-L89 PolarHBondContact O-N 3.37Å; P87-L89 VanDerWaalsContact C-N 3.34Å; P87-L89 PolarHBondContact O-N 3.5Å; L89-F91 VanDerWaalsContact C-N 3.26Å; L89-F91 PolarHBondContact O-N 3.48Å; L89-R92 PolarHBondContact O-N 3.46Å; L89-R92 VanDerWaalsContact O-N 3.15Å |
| 90 | L | 37.9 | Very low | 38.6 | Very low | 89 Ų | 89 | 118.6 Ų | 118.6 | 47% | 0.466 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.9 | -33.4 | 172.4 | -75.4 | 171.3 | 0 | 0 | 0 | 111.8 | L83 P87 R92 L93 F94 | L83-L90 HydrophobicContact CD2-CD2 4.28Å; P87-L90 PolarHBondContact O-N 3.09Å; L90-R92 PolarHBondContact O-N 3.46Å; L90-L93 PolarHBondContact O-N 3.3Å; L90-F94 PolarHBondContact O-N 2.97Å |
| 91 | F | 40.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 113.7 Ų | 113.7 | 54% | 0.535 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.5 | -23.7 | 174.5 | -96.5 | -91.1 | 0 | 0 | 0 | 114.2 | P87 L89 A98 | P87-F91 WeakPolarHBondContact O-CD2 3Å; P87-F91 PolarHBondContact O-N 3.42Å; L89-F91 VanDerWaalsContact C-N 3.26Å; L89-F91 PolarHBondContact O-N 3.48Å; F91-A98 HydrophobicContact CD1-CB 4.34Å; F91-A98 HydrophobicContact CE1-CB 3.31Å; F91-A98 HydrophobicContact CE2-CB 4.17Å; F91-A98 HydrophobicContact CZ-CB 3.22Å |
| 92 | R | 42.8 | Very low | 39.1 | Very low | 218 Ų | 218 | 110.8 Ų | 110.8 | 82% | 0.823 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -86.5 | -25.2 | 179 | -74 | -155.1 | 164.9 | 167.9 | -0.2 | 114.2 | L89 L90 | L89-R92 PolarHBondContact O-N 3.46Å; L89-R92 VanDerWaalsContact O-N 3.15Å; L90-R92 PolarHBondContact O-N 3.46Å |
| 93 | L | 43.3 | Very low | 39.2 | Very low | 136 Ų | 136 | 104 Ų | 104 | 71% | 0.712 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -93.6 | -29.3 | 177.4 | -69.2 | 166.3 | 0 | 0 | 0 | 112.2 | L90 | L90-L93 PolarHBondContact O-N 3.3Å |
| 94 | F | 44.1 | Very low | 39.1 | Very low | 145 Ų | 145 | 101.3 Ų | 101.3 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | trans | -139.6 | 78.5 | -176.9 | -73.1 | -88.6 | 0 | 0 | 0 | 111.9 | L90 M96 A97 | L90-F94 PolarHBondContact O-N 2.97Å; F94-M96 PolarHBondContact O-N 3.18Å; F94-A97 PolarHBondContact O-N 2.84Å | ||
| 95 | P | 45.8 | Very low | 39.1 | Very low | 78 Ų | 78 | 104.5 Ų | 104.5 | 51% | 0.506 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | -1.3 | -179.8 | 27.2 | -34.2 | 0 | 0 | 0 | 114.3 | ||
| 96 | M | 43 | Very low | 38.9 | Very low | 114 Ų | 114 | 108.4 Ų | 108.4 | 56% | 0.562 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -6.8 | 179.5 | -69.3 | -67.1 | 139.1 | 0 | 0 | 114.3 | F94 A98 W269 | F94-M96 PolarHBondContact O-N 3.18Å; M96-A98 VanDerWaalsContact C-N 3.29Å; M96-A98 PolarHBondContact O-N 3.44Å; M96-W269 HydrophobicContact CE-CD2 4.46Å; M96-W269 HydrophobicContact CE-CE3 3.77Å; M96-W269 HydrophobicContact CE-CH2 3.22Å; M96-W269 HydrophobicContact CE-CZ2 3.96Å; M96-W269 HydrophobicContact CE-CZ3 3.11Å; M96-W269 HydrophobicContact SD-CH2 3.66Å; M96-W269 HydrophobicContact SD-CZ3 3.99Å |
| 97 | A | 39.8 | Very low | 38.9 | Very low | 65 Ų | 65 | 114.9 Ų | 114.9 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -75.8 | -16.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F94 V99 | F94-A97 PolarHBondContact O-N 2.84Å; A97-V99 PolarHBondContact O-N 2.81Å |
| 98 | A | 36.4 | Very low | 38.3 | Very low | 52 Ų | 52 | 119 Ų | 119 | 43% | 0.43 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -89.5 | 3.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116 | F91 M96 | F91-A98 HydrophobicContact CD1-CB 4.34Å; F91-A98 HydrophobicContact CE1-CB 3.31Å; F91-A98 HydrophobicContact CE2-CB 4.17Å; F91-A98 HydrophobicContact CZ-CB 3.22Å; M96-A98 VanDerWaalsContact C-N 3.29Å; M96-A98 PolarHBondContact O-N 3.44Å |
| 99 | V | 43.9 | Very low | 37.9 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 74% | 0.739 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -100.6 | 1.1 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 112.5 | A97 G101 | A97-V99 PolarHBondContact O-N 2.81Å; V99-G101 PolarHBondContact O-N 2.97Å |
| 100 | M | 38.6 | Very low | 37.5 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -95.1 | 95.1 | 164.9 | -77.2 | -153.1 | -70.8 | 0 | 0 | 109 | A102 Y105 | M100-A102 PolarHBondContact O-N 3.25Å; M100-Y105 WeakPolarHBondContact CB-OH 2.94Å; M100-Y105 HydrophobicContact CE-CE1 4.22Å; M100-Y105 PolarHBondContact O-OH 3.1Å; M100-Y105 VanDerWaalsContact O-OH 3.09Å |
| 101 | G | 32.7 | Very low | 37.3 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | trans | -45.5 | 137.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V99 G103 | V99-G101 PolarHBondContact O-N 2.97Å; G101-G103 PolarHBondContact O-N 3.32Å | ||
| 102 | A | 36.5 | Very low | 36.9 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 88% | 0.876 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -50 | 108.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | M100 | M100-A102 PolarHBondContact O-N 3.25Š|
| 103 | G | 34.1 | Very low | 36.5 | Very low | 79 Ų | 79 | 121.5 Ų | 121.5 | 81% | 0.814 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 176.6 | -6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | G101 | G101-G103 PolarHBondContact O-N 3.32Š|
| 104 | G | 34.3 | Very low | 36.1 | Very low | 62 Ų | 62 | 120.9 Ų | 120.9 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | trans | -130.2 | -3.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q106 | G104-Q106 VanDerWaalsContact C-N 3.33Å; G104-Q106 PolarHBondContact O-N 2.9Å | ||
| 105 | Y | 32.2 | Very low | 35.6 | Very low | 150 Ų | 150 | 120.4 Ų | 120.4 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 60.6 | -169.7 | -48.6 | -82.6 | 0 | 0 | 0 | 112.4 | M100 | M100-Y105 WeakPolarHBondContact CB-OH 2.94Å; M100-Y105 HydrophobicContact CE-CE1 4.22Å; M100-Y105 PolarHBondContact O-OH 3.1Å; M100-Y105 VanDerWaalsContact O-OH 3.09Å |
| 106 | Q | 34.6 | Very low | 35 | Very low | 190 Ų | 190 | 122.7 Ų | 122.7 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.9 | 18.5 | 175 | -140.8 | 159.8 | 18.5 | 0 | 0 | 115.5 | G104 | G104-Q106 VanDerWaalsContact C-N 3.33Å; G104-Q106 PolarHBondContact O-N 2.9Å |
| 107 | R | 33.5 | Very low | 34.4 | Very low | 232 Ų | 232 | 123.6 Ų | 123.6 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -138.4 | 149.2 | 165.2 | -72.6 | -166.6 | 167.6 | -151.2 | -2.9 | 108.1 | ||
| 108 | L | 30.3 | Very low | 33.9 | Very low | 173 Ų | 173 | 127 Ų | 127 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | 97.5 | 44 | -174.8 | -47.4 | 175.2 | 0 | 0 | 0 | 114.9 | ||||
| 109 | L | 29.9 | Very low | 33.7 | Very low | 173 Ų | 173 | 131 Ų | 131 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -129.3 | 76.5 | 148.2 | -90 | 158.6 | 0 | 0 | 0 | 106.7 | ||||
| 110 | T | 34.4 | Very low | 33 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -162.3 | 122.7 | 160.5 | 18.2 | 0 | 0 | 0 | 0 | 108.8 | ||
| 111 | T | 33.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 132 Ų | 132 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -48.4 | 139.3 | 175 | 44.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 112 | A | 31.3 | Very low | 32.5 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -58.4 | 163.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 113 | P | 34.9 | Very low | 32.6 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | -150.4 | 160.4 | 66.5 | 34.3 | -11.3 | 0 | 0 | 0 | 118.3 | |||||
| 114 | T | 35.2 | Very low | 32.4 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | 73.5 | 125.2 | 144.6 | 53 | 0 | 0 | 0 | 0 | 123 | ||||
| 115 | T | 32.7 | Very low | 32.2 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 104.3 | 122.2 | 152.3 | 66.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 116 | P | 32.5 | Very low | 32.2 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -97.2 | 130.9 | 175.9 | 35.6 | -27.2 | 0 | 0 | 0 | 111 | ||||
| 117 | T | 31.3 | Very low | 31.7 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -120.1 | 118.6 | 161 | 40.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 118 | T | 29.1 | Very low | 31.8 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | trans | -47.6 | 133.1 | 167.1 | 42.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 119 | T | 31.5 | Very low | 31.9 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -144 | 118.3 | 153.6 | -9.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 120 | T | 29.2 | Very low | 31.9 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -76.2 | 131.9 | 170.8 | 48 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 121 | N | 32.1 | Very low | 32.1 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | -149.6 | 107.8 | 151.1 | 52.8 | -8 | 0 | 0 | 0 | 110.1 | ||||
| 122 | N | 28.7 | Very low | 32.2 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -70.2 | 138.4 | 153.7 | 56.2 | -6.4 | 0 | 0 | 0 | 108.6 | ||||
| 123 | S | 38.1 | Very low | 32.5 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -167.1 | 119 | 144.3 | 10.3 | 0 | 0 | 0 | 0 | 108.1 | G125 | S123-G125 PolarHBondContact O-N 3.24Š| ||
| 124 | N | 30.2 | Very low | 32.7 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -51.5 | 131.1 | 161.3 | -63.1 | -42.4 | 0 | 0 | 0 | 109 | ||||
| 125 | G | 30.6 | Very low | 32.7 | Very low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -167.5 | 104.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S123 | S123-G125 PolarHBondContact O-N 3.24Š| ||
| 126 | A | 31.8 | Very low | 33.5 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 65.6 | 107.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | A128 | A126-A128 PolarHBondContact O-N 3.47Š| ||
| 127 | F | 25.6 | Very low | 34 | Very low | 216 Ų | 216 | 134 Ų | 134 | 95% | 0.947 | 77% | 0.774 | S | S | * | * | trans | -45.8 | 115.1 | 151.6 | -86.1 | -108.8 | 0 | 0 | 0 | 111.4 | ||||
| 128 | A | 34.8 | Very low | 34.1 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -108.6 | 120 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | A126 F130 | A126-A128 PolarHBondContact O-N 3.47Å; A128-F130 PolarHBondContact O-N 2.87Å | ||
| 129 | N | 32.3 | Very low | 34.7 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -57 | 101.8 | 172.8 | -76.4 | -68.4 | 0 | 0 | 0 | 109.9 | V131 | N129-V131 PolarHBondContact O-N 3.5Å; N129-V131 VanDerWaalsContact O-N 3.1Å | ||
| 130 | F | 30.3 | Very low | 34.7 | Very low | 196 Ų | 196 | 132 Ų | 132 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -74.3 | 99.7 | 169.6 | -111.6 | -91.5 | 0 | 0 | 0 | 108.8 | A128 K132 | A128-F130 PolarHBondContact O-N 2.87Å; F130-K132 PolarHBondContact O-N 3.23Å | ||
| 131 | V | 37.9 | Very low | 35.4 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 120.8 | 163.3 | 176.6 | 0 | 0 | 0 | 0 | 107.5 | N129 | N129-V131 PolarHBondContact O-N 3.5Å; N129-V131 VanDerWaalsContact O-N 3.1Å |
| 132 | K | 37.1 | Very low | 36 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 124.3 | -177.1 | 178 | 179.3 | 175.6 | -169.7 | 0 | 110.4 | F130 | F130-K132 PolarHBondContact O-N 3.23Š|
| 133 | P | 37.6 | Very low | 36.8 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 141 | 168 | 26.7 | -31.9 | 0 | 0 | 0 | 109.7 | S135 | P133-S135 PolarHBondContact O-N 2.92Š|
| 134 | P | 37.2 | Very low | 36.9 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 139.5 | 176.9 | 24.4 | -32.3 | 0 | 0 | 0 | 110.6 | ||
| 135 | S | 35.7 | Very low | 37.4 | Very low | 53 Ų | 53 | 117.9 Ų | 117.9 | 37% | 0.371 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -68 | 126.9 | 178.5 | 171.7 | 0 | 0 | 0 | 0 | 109.5 | P133 Y137 | P133-S135 PolarHBondContact O-N 2.92Å; S135-Y137 PolarHBondContact O-N 3.3Å |
| 136 | P | 49.1 | Very low | 38 | Very low | 101 Ų | 101 | 118.3 Ų | 118.3 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 22 | -177.9 | 25.8 | -31.1 | 0 | 0 | 0 | 114.9 | ||
| 137 | Y | 43.5 | Very low | 38.5 | Very low | 184 Ų | 184 | 117.4 Ų | 117.4 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 11.9 | -175.5 | -59.1 | -70 | 0 | 0 | 0 | 114.7 | S135 T139 | S135-Y137 PolarHBondContact O-N 3.3Å; Y137-T139 PolarHBondContact O-N 3.19Å |
| 138 | D | 34.1 | Very low | 39.3 | Very low | 142 Ų | 142 | 111.3 Ų | 111.3 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | trans | -90 | 51.6 | 167 | -65.4 | -60.4 | 0 | 0 | 0 | 110.2 | ||||
| 139 | T | 41.8 | Very low | 39.6 | Very low | 93 Ų | 93 | 111.8 Ų | 111.8 | 57% | 0.571 | 69% | 0.69 | S | S | * | * | trans | -121.1 | 107.1 | 166.3 | 54.2 | 0 | 0 | 0 | 0 | 107.7 | Y137 | Y137-T139 PolarHBondContact O-N 3.19Š| ||
| 140 | D | 30.1 | Very low | 39.9 | Very low | 127 Ų | 127 | 108.7 Ų | 108.7 | 68% | 0.679 | 69% | 0.687 | S | S | * | * | trans | -48.4 | 134.8 | 168.5 | -76 | -63 | 0 | 0 | 0 | 109.5 | A142 S143 | D140-A142 PolarHBondContact O-N 2.92Å; D140-S143 PolarHBondContact O-N 3.16Å; D140-S143 PolarHBondContact O-OG 3.45Å | ||
| 141 | P | 45.6 | Very low | 40.3 | Very low | 123 Ų | 123 | 104.2 Ų | 104.2 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -1.6 | -179.2 | 24.2 | -33.1 | 0 | 0 | 0 | 114.1 | ||
| 142 | A | 43.9 | Very low | 40.1 | Very low | 87 Ų | 87 | 103 Ų | 103 | 72% | 0.719 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -20.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | D140 | D140-A142 PolarHBondContact O-N 2.92Š|
| 143 | S | 45.2 | Very low | 40 | Very low | 65 Ų | 65 | 99.6 Ų | 99.6 | 46% | 0.455 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.1 | -23.1 | -176.5 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | D140 A145 | D140-S143 PolarHBondContact O-N 3.16Å; D140-S143 PolarHBondContact O-OG 3.45Å; S143-A145 PolarHBondContact O-N 3.17Å |
| 144 | A | 40.8 | Very low | 40 | Very low | 67 Ų | 67 | 99.5 Ų | 99.5 | 55% | 0.554 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -17.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 145 | A | 41.1 | Very low | 40.2 | Very low | 79 Ų | 79 | 98.9 Ų | 98.9 | 65% | 0.653 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -20.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S143 | S143-A145 PolarHBondContact O-N 3.17Š|
| 146 | A | 42 | Very low | 40.4 | Very low | 81 Ų | 81 | 99.5 Ų | 99.5 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -22.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 147 | A | 42 | Very low | 39.7 | Very low | 82 Ų | 82 | 102.5 Ų | 102.5 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -84.6 | -12.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 148 | A | 42.6 | Very low | 39.4 | Very low | 88 Ų | 88 | 100.6 Ų | 100.6 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -87.5 | -3.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 149 | A | 41.5 | Very low | 39.7 | Very low | 92 Ų | 92 | 101 Ų | 101 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -97.5 | -0.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 150 | A | 39.2 | Very low | 40 | Very low | 95 Ų | 95 | 102 Ų | 102 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -111.3 | 9.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 151 | A | 37.9 | Very low | 40.8 | Very low | 101 Ų | 101 | 102.4 Ų | 102.4 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | -117.5 | 15.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 152 | A | 35.1 | Very low | 40.7 | Very low | 107 Ų | 107 | 102.6 Ų | 102.6 | 88% | 0.884 | 75% | 0.746 | S | S | * | * | trans | -107.3 | 18 | -171 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 153 | A | 34.5 | Very low | 40.5 | Very low | 100 Ų | 100 | 105.4 Ų | 105.4 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -128.3 | 74.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 154 | A | 37 | Very low | 40.4 | Very low | 100 Ų | 100 | 107.2 Ų | 107.2 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -178.2 | 84.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 155 | A | 41.9 | Very low | 40.2 | Very low | 109 Ų | 109 | 107.7 Ų | 107.7 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -172.4 | 99.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 156 | G | 39 | Very low | 40.2 | Very low | 66 Ų | 66 | 108.8 Ų | 108.8 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | -85.8 | 161.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 157 | L | 34.6 | Very low | 40.1 | Very low | 165 Ų | 165 | 110.3 Ų | 110.3 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | 71.4 | 145.9 | 141.4 | -79.9 | 117.2 | 0 | 0 | 0 | 120.7 | ||||
| 158 | L | 38.5 | Very low | 39.9 | Very low | 144 Ų | 144 | 110.1 Ų | 110.1 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | trans | 90.9 | 118.4 | 168.4 | -53.9 | -177 | 0 | 0 | 0 | 113.3 | ||||
| 159 | M | 40.2 | Very low | 39.8 | Very low | 151 Ų | 151 | 111.8 Ų | 111.8 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | cis | -164.8 | 149.9 | 12.9 | -94.6 | -69.5 | -163.3 | 0 | 0 | 109.9 | ||||
| 160 | T | 46.9 | Very low | 39.9 | Very low | 112 Ų | 112 | 112.3 Ų | 112.3 | 69% | 0.687 | 81% | 0.814 | S | S | * | * | trans | 63 | 95.7 | 142.8 | 61.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 161 | T | 48.4 | Very low | 39.6 | Very low | 136 Ų | 136 | 119 Ų | 119 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | 46.9 | 144.4 | 122.5 | 56.6 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 162 | P | 43 | Very low | 39.6 | Very low | 127 Ų | 127 | 121 Ų | 121 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -113.1 | 170.9 | -163.5 | 40 | -24.3 | 0 | 0 | 0 | 115 | ||||
| 163 | V | 40.2 | Very low | 40 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -129.7 | 138.5 | 158.6 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 164 | A | 41.7 | Very low | 39.9 | Very low | 103 Ų | 103 | 122 Ų | 122 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -77.5 | 152.4 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 165 | G | 38.1 | Very low | 40.2 | Very low | 76 Ų | 76 | 123.8 Ų | 123.8 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | -179.8 | 92.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 166 | A | 40.4 | Very low | 40.1 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | 59.7 | 100.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 167 | A | 40.2 | Very low | 40 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | trans | 32.5 | 112.7 | 131.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 168 | G | 37.4 | Very low | 40 | Very low | 79 Ų | 79 | 127.7 Ų | 127.7 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | 165 | 102.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 169 | S | 40.9 | Very low | 40 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -64.3 | 150.6 | -175.1 | -57.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 170 | P | 42.8 | Very low | 40 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 68% | 0.675 | 83% | 0.825 | S | S | * | * | trans | -95.2 | -170.8 | -176.7 | 36.8 | -30.2 | 0 | 0 | 0 | 113.3 | ||||
| 171 | W | 33.1 | Very low | 39.5 | Very low | 235 Ų | 235 | 130.2 Ų | 130.2 | 89% | 0.89 | 83% | 0.834 | S | S | * | * | trans | 87.6 | 100 | 177.5 | -48.5 | 91.4 | 0 | 0 | 0 | 116.3 | ||||
| 172 | T | 38.1 | Very low | 39 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | 174.8 | 131.3 | 105 | 28 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 173 | V | 43.3 | Very low | 38.7 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | trans | -88.4 | 114 | 180 | -153.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 174 | G | 32.9 | Very low | 38.6 | Very low | 73 Ų | 73 | 126.3 Ų | 126.3 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | 47 | 91.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 175 | T | 42.1 | Very low | 38.5 | Very low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -109 | 124.3 | 147.4 | 17.5 | 0 | 0 | 0 | 0 | 109.3 | L177 | T175-L177 PolarHBondContact O-N 3.12Š| ||
| 176 | V | 39.6 | Very low | 38.5 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 87% | 0.873 | 83% | 0.833 | S | S | * | * | trans | -76 | 111.9 | 174.5 | -171.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 177 | L | 37.5 | Very low | 38.4 | Very low | 157 Ų | 157 | 132 Ų | 132 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | trans | -99.2 | 122.5 | 169.6 | -143 | 90.5 | 0 | 0 | 0 | 108 | T175 | T175-L177 PolarHBondContact O-N 3.12Š| ||
| 178 | S | 34.8 | Very low | 38.4 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -114.6 | 104.8 | 160.7 | -77.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 179 | A | 39.2 | Very low | 38.4 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | trans | -145.1 | 92.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 180 | N | 40.2 | Very low | 38.2 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -101.1 | 138.2 | 150.6 | -68.8 | -24.4 | 0 | 0 | 0 | 103.2 | ||||
| 181 | Y | 35.4 | Very low | 37.9 | Very low | 225 Ų | 225 | 130.7 Ų | 130.7 | 88% | 0.882 | 83% | 0.834 | S | S | * | * | cis | -169.8 | 137.7 | 46 | 43.3 | -88.4 | 0 | 0 | 0 | 106.8 | ||||
| 182 | A | 37.5 | Very low | 37.9 | Very low | 96 Ų | 96 | 124 Ų | 124 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | trans | -147.5 | 110.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 183 | T | 37.8 | Very low | 38 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -170.1 | 138.3 | 164 | 44.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 184 | A | 37.2 | Very low | 37.7 | Very low | 88 Ų | 88 | 122.3 Ų | 122.3 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | cis | -170.2 | 177.5 | 3.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 185 | Q | 40.4 | Very low | 38.1 | Very low | 182 Ų | 182 | 125 Ų | 125 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | 101.5 | 94.3 | 156.5 | -59.4 | -176.4 | -9.7 | 0 | 0 | 120.2 | ||||
| 186 | T | 36.9 | Very low | 37.6 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | 12.2 | 137.9 | 127.6 | 55.3 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 187 | G | 38.6 | Very low | 37.8 | Very low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 143.4 | 86.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 188 | A | 40.2 | Very low | 37.9 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | 70.5 | 120.3 | 94.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 189 | G | 37.8 | Very low | 37.9 | Very low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 114.3 | 107.9 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 190 | A | 36.2 | Very low | 37.9 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | 87.3 | 113 | 128.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 191 | A | 37.2 | Very low | 37.9 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | 88.8 | 123.5 | 120.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 192 | A | 32.4 | Very low | 38.2 | Very low | 93 Ų | 93 | 118.9 Ų | 118.9 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -73.3 | 153.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 193 | T | 40.1 | Very low | 37.9 | Very low | 141 Ų | 141 | 117.6 Ų | 117.6 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -159.5 | 121.3 | 145.1 | 1.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 194 | T | 37.1 | Very low | 38 | Very low | 123 Ų | 123 | 119 Ų | 119 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -66.5 | 167.1 | 175.6 | 45.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 195 | P | 41.8 | Very low | 37.7 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | -135.2 | 139.2 | 120.2 | 33.3 | -20.7 | 0 | 0 | 0 | 114.7 | |||||
| 196 | T | 31.9 | Very low | 37.7 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | -88.5 | 167.5 | 163.5 | -59.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 197 | V | 42.9 | Very low | 38.2 | Very low | 119 Ų | 119 | 115.2 Ų | 115.2 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | trans | 87.5 | 138.8 | 170.6 | -53.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 198 | N | 40.8 | Very low | 38.1 | Very low | 149 Ų | 149 | 117.8 Ų | 117.8 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | cis | -165.8 | 152.8 | 13.8 | 7.4 | -5 | 0 | 0 | 0 | 109.9 | ||||
| 199 | N | 34.8 | Very low | 38.4 | Very low | 173 Ų | 173 | 117.4 Ų | 117.4 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 147.9 | -171.9 | -63.5 | -49.5 | 0 | 0 | 0 | 116.2 | ||||
| 200 | G | 38.6 | Very low | 39 | Very low | 74 Ų | 74 | 124.9 Ų | 124.9 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | 172.7 | 98.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 201 | A | 40.3 | Very low | 39.2 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | 46.4 | 96.8 | 151 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 202 | N | 41.5 | Very low | 39.4 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | 172.2 | 119 | 121.1 | -84.6 | -30.8 | 0 | 0 | 0 | 109.7 | |||||
| 203 | G | 32.3 | Very low | 39.9 | Very low | 68 Ų | 68 | 130.6 Ų | 130.6 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -69.3 | 171.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 204 | L | 38.7 | Very low | 40.3 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | 91.9 | 78.6 | -177.5 | -60.8 | 136.1 | 0 | 0 | 0 | 114.7 | S206 | L204-S206 PolarHBondContact O-N 3.34Š| ||
| 205 | S | 30.8 | Very low | 40.6 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -45.2 | 97.6 | 154.4 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 206 | S | 41.8 | Very low | 40.8 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -82.7 | 125.1 | 166.3 | -88.4 | 0 | 0 | 0 | 0 | 109.6 | L204 | L204-S206 PolarHBondContact O-N 3.34Š| ||
| 207 | P | 45.9 | Very low | 41.4 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | trans | -67.3 | 156.6 | 176.9 | 30.2 | -34 | 0 | 0 | 0 | 110.1 | A209 | P207-A209 PolarHBondContact O-N 2.96Š| ||
| 208 | P | 37.3 | Very low | 41.7 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -66.5 | 99.4 | -174.4 | 26.9 | -33.5 | 0 | 0 | 0 | 110.9 | R210 | P208-R210 PolarHBondContact O-N 2.88Š| ||
| 209 | A | 46.5 | Very low | 42 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | trans | -78.9 | 85.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | P207 | P207-A209 PolarHBondContact O-N 2.96Š| ||
| 210 | R | 49.7 | Very low | 43 | Very low | 234 Ų | 234 | 117.7 Ų | 117.7 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | trans | 11.7 | 124.8 | 146.6 | -59.9 | 178.4 | -170.5 | -101.8 | -1.4 | 117.1 | P208 | P208-R210 PolarHBondContact O-N 2.88Š| ||
| 211 | K | 42 | Very low | 43.7 | Very low | 205 Ų | 205 | 118.8 Ų | 118.8 | 89% | 0.891 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 0.2 | 126.9 | 155.8 | -61.6 | 169.2 | -174.3 | -178.8 | 0 | 115.6 | R213 | K211-R213 PolarHBondContact O-N 3.48Š|
| 212 | C | 41.1 | Very low | 44.4 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | trans | -38.3 | 124.7 | -171.4 | -167.8 | 0 | 0 | 0 | 0 | 114.6 | R214 | C212-R214 PolarHBondContact O-N 2.83Å; C212-R214 WeakPolarHBondContact SG-CB 3.5Å | ||
| 213 | R | 42.3 | Very low | 44.9 | Very low | 103 Ų | 103 | 115 Ų | 115 | 39% | 0.389 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.6 | 5.6 | 175 | -112.6 | 173.4 | -155.9 | -79.9 | -2.5 | 114.9 | K211 C220 | K211-R213 PolarHBondContact O-N 3.48Å; R213-C220 PolarHBondContact O-SG 3.21Å |
| 214 | R | 47.7 | Very low | 45.8 | Very low | 155 Ų | 155 | 119.8 Ų | 119.8 | 59% | 0.585 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -34 | -164 | -174.1 | 61.2 | 79.2 | -178.1 | 5.6 | 113.9 | C212 | C212-R214 PolarHBondContact O-N 2.83Å; C212-R214 WeakPolarHBondContact SG-CB 3.5Å |
| 215 | C | 43.6 | Very low | 46.7 | Very low | 86 Ų | 86 | 114 Ų | 114 | 58% | 0.581 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -169.6 | 17.3 | -176.6 | 36.5 | 0 | 0 | 0 | 0 | 121.5 | ||
| 216 | Q | 45.6 | Very low | 47.9 | Very low | 192 Ų | 192 | 111.5 Ų | 111.5 | 90% | 0.897 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -104.6 | 40.4 | 177.9 | -70 | 172.6 | 5.4 | 0 | 0 | 115.7 | ||
| 217 | C | 45.1 | Very low | 48.7 | Very low | 78 Ų | 78 | 109.9 Ų | 109.9 | 53% | 0.527 | 59% | 0.59 | S | S | . | * | trans | 58.9 | 180 | 167.9 | -58 | 0 | 0 | 0 | 0 | 118.4 | A260 | C217-A260 HydrophobicContact CB-CB 4.32Š| ||
| 218 | P | 48.8 | Very low | 49.4 | Very low | 54 Ų | 54 | 107.4 Ų | 107.4 | 35% | 0.351 | 57% | 0.572 | S | S | . | * | S | Bend | cis | -102.7 | 10.3 | -38.3 | 6 | 15.4 | 0 | 0 | 0 | 112.3 | A260 | P218-A260 HydrophobicContact CB-CB 4Š|
| 219 | N | 48.4 | Very low | 50.5 | Low | 95 Ų | 95 | 107.8 Ų | 107.8 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | trans | -145.7 | 52.7 | -161.4 | -134.1 | -14.3 | 0 | 0 | 0 | 113.8 | L221 | N219-L221 HydrophobicContact CB-CD1 4.46Å; N219-L221 PolarHBondContact O-N 2.98Å; N219-L221 VanDerWaalsContact OD1-CD1 3.31Å; N219-L221 WeakPolarHBondContact OD1-CD1 3.38Å | ||
| 220 | C | 54.5 | Low | 51.3 | Low | 23 Ų | 23 | 106.7 Ų | 106.7 | 16% | 0.155 | 56% | 0.561 | C | S | . | * | trans | -68.5 | 73.5 | -180 | -75.6 | 0 | 0 | 0 | 0 | 113.4 | R213 K222 L256 | R213-C220 PolarHBondContact O-SG 3.21Å; C220-K222 VanDerWaalsContact C-N 3.31Å; C220-K222 PolarHBondContact O-N 3.08Å; C220-L256 HydrophobicContact CB-CD1 4.01Å | ||
| 221 | L | 53.7 | Low | 51.9 | Low | 97 Ų | 97 | 98.7 Ų | 98.7 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | 12.5 | 178.1 | -96.9 | 131.6 | 0 | 0 | 0 | 118.3 | N219 K253 | N219-L221 HydrophobicContact CB-CD1 4.46Å; N219-L221 PolarHBondContact O-N 2.98Å; N219-L221 VanDerWaalsContact OD1-CD1 3.31Å; N219-L221 WeakPolarHBondContact OD1-CD1 3.38Å; L221-K253 VanDerWaalsContact CG-CE 3.49Å |
| 222 | K | 54.2 | Low | 52.8 | Low | 152 Ų | 152 | 97.1 Ų | 97.1 | 66% | 0.661 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.6 | 49.1 | 172.3 | -51 | 170.6 | -175.4 | -169.1 | 0 | 109.1 | C220 E224 | C220-K222 VanDerWaalsContact C-N 3.31Å; C220-K222 PolarHBondContact O-N 3.08Å; K222-E224 PolarHBondContact O-N 3.16Å |
| 223 | A | 52.2 | Low | 54.1 | Low | 24 Ų | 24 | 98.4 Ų | 98.4 | 20% | 0.198 | 53% | 0.532 | C | S | . | . | trans | -69.5 | 106.4 | 155.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | L252 | A223-L252 HydrophobicContact CB-CD2 3.79Š| ||
| 224 | E | 52.3 | Low | 55.3 | Low | 169 Ų | 169 | 95.1 Ų | 95.1 | 79% | 0.79 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -54 | 135.8 | 172.6 | -66.1 | -164.1 | 115.9 | 0 | 0 | 108.4 | K222 T226 | K222-E224 PolarHBondContact O-N 3.16Å; E224-T226 PolarHBondContact O-N 3.43Å |
| 225 | P | 56.4 | Low | 56.4 | Low | 52 Ų | 52 | 89 Ų | 89 | 34% | 0.338 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127.2 | -176.3 | 32.7 | -40 | 0 | 0 | 0 | 111 | K233 M234 | P225-K233 HydrophobicContact CB-CB 4.13Å; P225-K233 HydrophobicContact CB-CD 3.93Å; P225-K233 HydrophobicContact CB-CG 3.02Å; P225-K233 HydrophobicContact CG-CD 3.98Å; P225-K233 VanDerWaalsContact CG-CE 3.4Å; P225-K233 HydrophobicContact CG-CG 3.56Å; P225-M234 CarbonylContact C-O 3.49Å; P225-M234 WeakPolarHBondContact CA-O 3.48Å |
| 226 | T | 57.6 | Low | 57.7 | Low | 71 Ų | 71 | 87 Ų | 87 | 44% | 0.436 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.9 | 162 | 58.2 | 0 | 0 | 0 | 0 | 107.4 | E224 M234 V236 | E224-T226 PolarHBondContact O-N 3.43Å; T226-M234 PolarHBondContact N-O 2.87Å; T226-M234 WeakPolarHBondContact O-CA 3.46Å; T226-M234 VanDerWaalsContact O-CB 3.28Å; T226-M234 WeakPolarHBondContact O-CB 3.47Å; T226-M234 PolarHBondContact O-N 3.48Å; T226-V236 HydrophobicContact CG2-CG2 3.67Å; T226-V236 WeakPolarHBondContact OG1-CG2 3.47Å |
| 227 | A | 58.7 | Low | 59 | Low | 78 Ų | 78 | 78.2 Ų | 78.2 | 65% | 0.645 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 228 | D | 60.1 | Low | 60.2 | Low | 50 Ų | 50 | 75.9 Ų | 75.9 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 158.5 | 162.5 | -177.1 | -92 | 0 | 0 | 0 | 109.9 | S230 G231 R232 M234 | D228-S230 PolarHBondContact O-N 3.43Å; D228-S230 VanDerWaalsContact OD1-CB 3.25Å; D228-S230 WeakPolarHBondContact OD1-CB 3.43Å; D228-S230 PolarHBondContact OD1-N 2.8Å; D228-S230 PolarHBondContact OD1-OG 3.01Å; D228-G231 PolarHBondContact O-N 3.29Å; D228-R232 PolarHBondContact N-O 3.14Å; D228-R232 VanDerWaalsContact N-O 3.15Å; D228-M234 HydrophobicContact CB-CE 3.34Å; D228-M234 HydrophobicContact CB-CG 4.1Å; D228-M234 HydrophobicContact CB-SD 3.78Å; D228-M234 VanDerWaalsContact CG-CE 3.43Å; D228-M234 VanDerWaalsContact OD2-CE 3.22Å; D228-M234 WeakPolarHBondContact OD2-CE 3.13Å |
| 229 | P | 61.1 | Low | 61 | Low | 136 Ų | 136 | 75 Ų | 75 | 88% | 0.883 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -20.5 | 169.9 | 15.3 | -31.2 | 0 | 0 | 0 | 114.4 | G231 | P229-G231 VanDerWaalsContact C-N 3.34Š|
| 230 | S | 63 | Low | 61.7 | Low | 77 Ų | 77 | 75.6 Ų | 75.6 | 54% | 0.538 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 8.1 | 173.7 | -42.6 | 0 | 0 | 0 | 0 | 115.3 | D228 R232 | D228-S230 PolarHBondContact O-N 3.43Å; D228-S230 VanDerWaalsContact OD1-CB 3.25Å; D228-S230 WeakPolarHBondContact OD1-CB 3.43Å; D228-S230 PolarHBondContact OD1-N 2.8Å; D228-S230 PolarHBondContact OD1-OG 3.01Å; S230-R232 PolarHBondContact O-N 3.32Å |
| 231 | G | 61.4 | Low | 62.2 | Low | 65 Ų | 65 | 78.9 Ų | 78.9 | 67% | 0.67 | 47% | 0.469 | S | S | * | . | trans | 70.5 | 9.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | D228 P229 | D228-G231 PolarHBondContact O-N 3.29Å; P229-G231 VanDerWaalsContact C-N 3.34Å | ||
| 232 | R | 61.7 | Low | 63 | Low | 173 Ų | 173 | 75.4 Ų | 75.4 | 65% | 0.653 | 45% | 0.452 | S | S | * | . | trans | -84.9 | 130.7 | -179.8 | -75.5 | -172.1 | -114.8 | -121.2 | -1.1 | 111.3 | D228 S230 M234 | D228-R232 PolarHBondContact N-O 3.14Å; D228-R232 VanDerWaalsContact N-O 3.15Å; S230-R232 PolarHBondContact O-N 3.32Å; R232-M234 WeakPolarHBondContact O-CG 3.46Å; R232-M234 PolarHBondContact O-N 2.92Å | ||
| 233 | K | 66.9 | Low | 63.8 | Low | 137 Ų | 137 | 71.5 Ų | 71.5 | 60% | 0.596 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 106.3 | 173.8 | -164.4 | 177.6 | 173.7 | 119.6 | 0 | 109.9 | P225 | P225-K233 HydrophobicContact CB-CB 4.13Å; P225-K233 HydrophobicContact CB-CD 3.93Å; P225-K233 HydrophobicContact CB-CG 3.02Å; P225-K233 HydrophobicContact CG-CD 3.98Å; P225-K233 VanDerWaalsContact CG-CE 3.4Å; P225-K233 HydrophobicContact CG-CG 3.56Å |
| 234 | M | 68.2 | Low | 65 | Low | 34 Ų | 34 | 75.3 Ų | 75.3 | 17% | 0.167 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.1 | -179 | -58.8 | -159.8 | 165.1 | 0 | 0 | 112.8 | P225 T226 D228 R232 S245 | P225-M234 CarbonylContact C-O 3.49Å; P225-M234 WeakPolarHBondContact CA-O 3.48Å; T226-M234 PolarHBondContact N-O 2.87Å; T226-M234 WeakPolarHBondContact O-CA 3.46Å; T226-M234 VanDerWaalsContact O-CB 3.28Å; T226-M234 WeakPolarHBondContact O-CB 3.47Å; T226-M234 PolarHBondContact O-N 3.48Å; D228-M234 HydrophobicContact CB-CE 3.34Å; D228-M234 HydrophobicContact CB-CG 4.1Å; D228-M234 HydrophobicContact CB-SD 3.78Å; D228-M234 VanDerWaalsContact CG-CE 3.43Å; D228-M234 VanDerWaalsContact OD2-CE 3.22Å; D228-M234 WeakPolarHBondContact OD2-CE 3.13Å; R232-M234 WeakPolarHBondContact O-CG 3.46Å; R232-M234 PolarHBondContact O-N 2.92Å; M234-S245 PolarHBondContact SD-OG 2.85Å |
| 235 | H | 71.6 | Confident | 66.2 | Low | 25 Ų | 25 | 69.9 Ų | 69.9 | 12% | 0.116 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 111.1 | 176.2 | -61.2 | -73.1 | 0 | 0 | 0 | 110.5 | S245 Y246 T249 L252 | H235-S245 CarbonylContact O-C 3.56Å; H235-S245 WeakPolarHBondContact O-CA 3.35Å; H235-Y246 WeakPolarHBondContact CB-O 3.47Å; H235-Y246 PolarHBondContact CD2-O 3.3Å; H235-Y246 PolarHBondContact N-O 3.46Å; H235-Y246 PolarHBondContact O-N 3.26Å; H235-T249 PolarHBondContact CD2-N 3.5Å; H235-T249 WeakPolarHBondContact CE1-CG2 3.43Å; H235-T249 WeakPolarHBondContact NE2-CG2 3.49Å; H235-L252 HydrophobicContact CB-CB 3.95Å; H235-L252 HydrophobicContact CB-CD2 3.64Å; H235-L252 HydrophobicContact CB-CG 4.31Å |
| 236 | V | 70.7 | Confident | 67.2 | Low | 45 Ų | 45 | 70.1 Ų | 70.1 | 27% | 0.273 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.5 | -176 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | T226 C238 | T226-V236 HydrophobicContact CG2-CG2 3.67Å; T226-V236 WeakPolarHBondContact OG1-CG2 3.47Å; V236-C238 PolarHBondContact O-N 2.73Å |
| 237 | C | 73.2 | Confident | 68.2 | Low | 7 Ų | 7 | 69.3 Ų | 69.3 | 5% | 0.047 | 45% | 0.448 | C | S | . | . | trans | -68.4 | 123.7 | 170.3 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | V239 C242 K244 L252 H255 | C237-V239 PolarHBondContact O-N 3.35Å; C237-C242 HydrophobicContact CB-CB 4.26Å; C237-K244 WeakPolarHBondContact CB-O 3.19Å; C237-K244 PolarHBondContact N-O 2.81Å; C237-L252 HydrophobicContact CB-CD1 4.1Å; C237-H255 WeakPolarHBondContact CB-NE2 3.27Å; C237-H255 VanDerWaalsContact SG-CD2 3.58Å; C237-H255 PolarHBondContact SG-NE2 3.45Å | ||
| 238 | C | 68.7 | Low | 69.1 | Low | 29 Ų | 29 | 71.9 Ų | 71.9 | 20% | 0.196 | 44% | 0.444 | C | S | . | . | trans | -78.7 | -4.1 | -178.5 | 69.6 | 0 | 0 | 0 | 0 | 114 | V236 | V236-C238 PolarHBondContact O-N 2.73Š| ||
| 239 | V | 66.4 | Low | 69.9 | Low | 36 Ų | 36 | 72.9 Ų | 72.9 | 22% | 0.218 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -74.6 | 122.2 | -177 | -179.8 | 0 | 0 | 0 | 0 | 110 | C237 G241 C242 H259 | C237-V239 PolarHBondContact O-N 3.35Å; V239-G241 PolarHBondContact O-N 3.12Å; V239-C242 HydrophobicContact CB-CB 4.26Å; V239-C242 PolarHBondContact O-N 2.77Å; V239-C242 VanDerWaalsContact O-N 3.13Å; V239-H259 HydrophobicContact CG2-CB 4.07Å |
| 240 | P | 62.9 | Low | 70.7 | Confident | 108 Ų | 108 | 69.4 Ų | 69.4 | 70% | 0.701 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 129.5 | 176.6 | 22.8 | -30.8 | 0 | 0 | 0 | 110 | ||
| 241 | G | 65.9 | Low | 71.3 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 94% | 0.938 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | -5.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V239 | V239-G241 PolarHBondContact O-N 3.12Š|
| 242 | C | 69.8 | Low | 72 | Confident | 25 Ų | 25 | 67 Ų | 67 | 17% | 0.169 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -48.6 | 177.5 | -165.8 | 0 | 0 | 0 | 0 | 113.6 | C237 V239 K244 H255 H259 | C237-C242 HydrophobicContact CB-CB 4.26Å; V239-C242 HydrophobicContact CB-CB 4.26Å; V239-C242 PolarHBondContact O-N 2.77Å; V239-C242 VanDerWaalsContact O-N 3.13Å; C242-K244 PolarHBondContact O-N 3.49Å; C242-H255 PolarHBondContact SG-CE1 3.01Å; C242-H255 PolarHBondContact SG-NE2 3.43Å; C242-H259 PolarHBondContact SG-NE2 3.49Å; C242-H259 VanDerWaalsContact SG-NE2 3.39Å |
| 243 | G | 72 | Confident | 72.5 | Confident | 69 Ų | 69 | 62.1 Ų | 62.1 | 71% | 0.711 | 38% | 0.378 | S | S | * | . | trans | 61.1 | 4.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 244 | K | 75.6 | Confident | 72.8 | Confident | 104 Ų | 104 | 56.2 Ų | 56.2 | 45% | 0.452 | 35% | 0.354 | S | S | . | . | trans | -80.2 | 133.2 | -175 | -67.7 | 178.1 | -169.9 | 176.4 | 0 | 111.7 | C237 C242 Y246 | C237-K244 WeakPolarHBondContact CB-O 3.19Å; C237-K244 PolarHBondContact N-O 2.81Å; C242-K244 PolarHBondContact O-N 3.49Å; K244-Y246 HydrophobicContact CB-CE2 3.84Å | ||
| 245 | S | 79.2 | Confident | 73.2 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 148 | 174.3 | 65.2 | 0 | 0 | 0 | 0 | 111.1 | M234 H235 | M234-S245 PolarHBondContact SD-OG 2.85Å; H235-S245 CarbonylContact O-C 3.56Å; H235-S245 WeakPolarHBondContact O-CA 3.35Å |
| 246 | Y | 77.7 | Confident | 73 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 130.1 | -176.5 | -63.4 | -81.6 | 0 | 0 | 0 | 111.1 | H235 K244 K248 H251 L252 H255 | H235-Y246 WeakPolarHBondContact CB-O 3.47Å; H235-Y246 PolarHBondContact CD2-O 3.3Å; H235-Y246 PolarHBondContact N-O 3.46Å; H235-Y246 PolarHBondContact O-N 3.26Å; K244-Y246 HydrophobicContact CB-CE2 3.84Å; Y246-K248 PolarHBondContact O-N 3.25Å; Y246-K248 VanDerWaalsContact O-N 3.12Å; Y246-H251 HydrophobicContact CD1-CB 3.7Å; Y246-H251 HydrophobicContact CE1-CB 4.49Å; Y246-H251 HydrophobicContact CG-CB 3.93Å; Y246-L252 HydrophobicContact CD2-CB 4.18Å; Y246-L252 HydrophobicContact CD2-CD1 3.98Å; Y246-L252 HydrophobicContact CE2-CD1 4.42Å; Y246-H255 HydrophobicContact CD2-CB 4.4Å; Y246-H255 HydrophobicContact CE2-CB 3.55Å; Y246-H255 AromaticContact CE2-CD2 3.6Å; Y246-H255 AromaticContact CE2-CG 3.46Å; Y246-H255 VanDerWaalsContact CE2-CG 3.46Å; Y246-H255 AromaticContact CZ-CG 3.75Å; Y246-H255 PolarHBondContact OH-ND1 3.43Å |
| 247 | G | 78.6 | Confident | 72.9 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 55% | 0.546 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -67.9 | -8.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 248 | K | 77.4 | Confident | 72.6 | Confident | 132 Ų | 132 | 63.6 Ų | 63.6 | 57% | 0.574 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -128.3 | 135.5 | 178.1 | -66.4 | -175.2 | 179.9 | -177.6 | 0 | 110.9 | Y246 S250 H251 L252 | Y246-K248 PolarHBondContact O-N 3.25Å; Y246-K248 VanDerWaalsContact O-N 3.12Å; K248-S250 PolarHBondContact O-N 3.29Å; K248-H251 PolarHBondContact O-N 2.83Å; K248-H251 VanDerWaalsContact O-N 3.12Å; K248-L252 PolarHBondContact O-N 2.94Å |
| 249 | T | 76 | Confident | 72.5 | Confident | 72 Ų | 72 | 65.1 Ų | 65.1 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.3 | -35.4 | 174.9 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | H235 H251 L252 K253 | H235-T249 PolarHBondContact CD2-N 3.5Å; H235-T249 WeakPolarHBondContact CE1-CG2 3.43Å; H235-T249 WeakPolarHBondContact NE2-CG2 3.49Å; T249-H251 VanDerWaalsContact C-N 3.3Å; T249-H251 PolarHBondContact O-N 3.35Å; T249-L252 PolarHBondContact O-N 2.71Å; T249-K253 WeakPolarHBondContact O-CG 3.36Å; T249-K253 PolarHBondContact O-N 2.82Å |
| 250 | S | 77.3 | Confident | 72.2 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 44% | 0.441 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.6 | -35.8 | 178.2 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | K248 A254 | K248-S250 PolarHBondContact O-N 3.29Å; S250-A254 PolarHBondContact O-N 3.3Å |
| 251 | H | 76.5 | Confident | 72 | Confident | 84 Ų | 84 | 62 Ų | 62 | 39% | 0.389 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73 | -42.2 | 177.1 | -67.7 | -171.3 | 0 | 0 | 0 | 110.9 | Y246 K248 T249 K253 A254 H255 | Y246-H251 HydrophobicContact CD1-CB 3.7Å; Y246-H251 HydrophobicContact CE1-CB 4.49Å; Y246-H251 HydrophobicContact CG-CB 3.93Å; K248-H251 PolarHBondContact O-N 2.83Å; K248-H251 VanDerWaalsContact O-N 3.12Å; T249-H251 VanDerWaalsContact C-N 3.3Å; T249-H251 PolarHBondContact O-N 3.35Å; H251-K253 VanDerWaalsContact C-N 3.34Å; H251-K253 PolarHBondContact O-N 3.17Å; H251-A254 PolarHBondContact O-N 3.45Å; H251-H255 WeakPolarHBondContact O-CB 3.36Å; H251-H255 PolarHBondContact O-N 2.54Å |
| 252 | L | 75.7 | Confident | 71.2 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 172.9 | -179.6 | 66.2 | 0 | 0 | 0 | 111 | A223 H235 C237 Y246 K248 T249 A254 H255 L256 | A223-L252 HydrophobicContact CB-CD2 3.79Å; H235-L252 HydrophobicContact CB-CB 3.95Å; H235-L252 HydrophobicContact CB-CD2 3.64Å; H235-L252 HydrophobicContact CB-CG 4.31Å; C237-L252 HydrophobicContact CB-CD1 4.1Å; Y246-L252 HydrophobicContact CD2-CB 4.18Å; Y246-L252 HydrophobicContact CD2-CD1 3.98Å; Y246-L252 HydrophobicContact CE2-CD1 4.42Å; K248-L252 PolarHBondContact O-N 2.94Å; T249-L252 PolarHBondContact O-N 2.71Å; L252-A254 PolarHBondContact O-N 3.21Å; L252-H255 CarbonylContact O-C 3.58Å; L252-H255 WeakPolarHBondContact O-CB 3.45Å; L252-H255 PolarHBondContact O-N 3.23Å; L252-L256 HydrophobicContact CD1-CD1 4.43Å; L252-L256 HydrophobicContact CD1-CG 4.23Å; L252-L256 HydrophobicContact CD2-CD1 4.36Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 HydrophobicContact CG-CG 4.23Å; L252-L256 WeakPolarHBondContact O-CB 3.42Å; L252-L256 WeakPolarHBondContact O-CG 3.3Å; L252-L256 PolarHBondContact O-N 2.82Å |
| 253 | K | 73.1 | Confident | 70.6 | Confident | 71 Ų | 71 | 65.4 Ų | 65.4 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 175.5 | -76.3 | -179.5 | 177.9 | -176.2 | 0 | 112.7 | L221 T249 H251 H255 L256 R257 | L221-K253 VanDerWaalsContact CG-CE 3.49Å; T249-K253 WeakPolarHBondContact O-CG 3.36Å; T249-K253 PolarHBondContact O-N 2.82Å; H251-K253 VanDerWaalsContact C-N 3.34Å; H251-K253 PolarHBondContact O-N 3.17Å; K253-H255 VanDerWaalsContact C-N 3.28Å; K253-H255 PolarHBondContact O-N 2.83Å; K253-L256 PolarHBondContact O-N 3.21Å; K253-R257 PolarHBondContact O-N 3.21Å; K253-R257 VanDerWaalsContact O-N 3.17Å |
| 254 | A | 72.2 | Confident | 70.2 | Confident | 12 Ų | 12 | 66 Ų | 66 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.5 | -34.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | S250 H251 L252 R278 | S250-A254 PolarHBondContact O-N 3.3Å; H251-A254 PolarHBondContact O-N 3.45Å; L252-A254 PolarHBondContact O-N 3.21Å; A254-R278 HydrophobicContact CB-CG 4.5Å |
| 255 | H | 77 | Confident | 69.4 | Low | 16 Ų | 16 | 64 Ų | 64 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.4 | -42.5 | 174.6 | 171.3 | 63 | 0 | 0 | 0 | 112.5 | C237 C242 Y246 H251 L252 K253 R257 W258 H259 | C237-H255 WeakPolarHBondContact CB-NE2 3.27Å; C237-H255 VanDerWaalsContact SG-CD2 3.58Å; C237-H255 PolarHBondContact SG-NE2 3.45Å; C242-H255 PolarHBondContact SG-CE1 3.01Å; C242-H255 PolarHBondContact SG-NE2 3.43Å; Y246-H255 HydrophobicContact CD2-CB 4.4Å; Y246-H255 HydrophobicContact CE2-CB 3.55Å; Y246-H255 AromaticContact CE2-CD2 3.6Å; Y246-H255 AromaticContact CE2-CG 3.46Å; Y246-H255 VanDerWaalsContact CE2-CG 3.46Å; Y246-H255 AromaticContact CZ-CG 3.75Å; Y246-H255 PolarHBondContact OH-ND1 3.43Å; H251-H255 WeakPolarHBondContact O-CB 3.36Å; H251-H255 PolarHBondContact O-N 2.54Å; L252-H255 CarbonylContact O-C 3.58Å; L252-H255 WeakPolarHBondContact O-CB 3.45Å; L252-H255 PolarHBondContact O-N 3.23Å; K253-H255 VanDerWaalsContact C-N 3.28Å; K253-H255 PolarHBondContact O-N 2.83Å; H255-R257 PolarHBondContact O-N 3.26Å; H255-W258 WeakPolarHBondContact O-CA 3.44Å; H255-W258 WeakPolarHBondContact O-CB 3.16Å; H255-W258 PolarHBondContact O-N 3.05Å; H255-H259 AromaticContact CE1-CD2 3.67Å; H255-H259 AromaticContact CE1-NE2 3.29Å; H255-H259 PolarHBondContact CE1-NE2 3.05Å; H255-H259 VanDerWaalsContact CE1-NE2 3.29Å; H255-H259 AromaticContact NE2-CD2 3.43Å; H255-H259 PolarHBondContact NE2-CD2 3.17Å; H255-H259 AromaticContact NE2-NE2 3.18Å; H255-H259 PolarHBondContact NE2-NE2 3.45Å; H255-H259 VanDerWaalsContact NE2-NE2 3.18Å; H255-H259 PolarHBondContact O-N 3.23Å |
| 256 | L | 68.2 | Low | 68.4 | Low | 13 Ų | 13 | 64.7 Ų | 64.7 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.9 | -31.3 | 176 | -73.4 | 169.8 | 0 | 0 | 0 | 112.2 | C220 L252 K253 W258 H259 A260 | C220-L256 HydrophobicContact CB-CD1 4.01Å; L252-L256 HydrophobicContact CD1-CD1 4.43Å; L252-L256 HydrophobicContact CD1-CG 4.23Å; L252-L256 HydrophobicContact CD2-CD1 4.36Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 HydrophobicContact CG-CG 4.23Å; L252-L256 WeakPolarHBondContact O-CB 3.42Å; L252-L256 WeakPolarHBondContact O-CG 3.3Å; L252-L256 PolarHBondContact O-N 2.82Å; K253-L256 PolarHBondContact O-N 3.21Å; L256-W258 PolarHBondContact O-N 2.86Å; L256-H259 WeakPolarHBondContact O-CB 3.45Å; L256-H259 PolarHBondContact O-N 3.48Å; L256-H259 VanDerWaalsContact O-N 3.07Å; L256-A260 PolarHBondContact O-N 3.36Å |
| 257 | R | 68.5 | Low | 68.1 | Low | 79 Ų | 79 | 62.1 Ų | 62.1 | 30% | 0.298 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -29.7 | 170.8 | -78.1 | -178.5 | -107.6 | 157.3 | -14.7 | 113.4 | K253 H255 G261 T277 | K253-R257 PolarHBondContact O-N 3.21Å; K253-R257 VanDerWaalsContact O-N 3.17Å; H255-R257 PolarHBondContact O-N 3.26Å; R257-G261 PolarHBondContact O-N 3.21Å; R257-T277 PolarHBondContact NH1-O 3.33Å |
| 258 | W | 66.2 | Low | 67.2 | Low | 159 Ų | 159 | 67.3 Ų | 67.3 | 60% | 0.602 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.1 | -36.7 | 173.8 | -175.8 | 80 | 0 | 0 | 0 | 111.6 | H255 L256 T277 | H255-W258 WeakPolarHBondContact O-CA 3.44Å; H255-W258 WeakPolarHBondContact O-CB 3.16Å; H255-W258 PolarHBondContact O-N 3.05Å; L256-W258 PolarHBondContact O-N 2.86Å; W258-T277 HydrophobicContact CB-CG2 4.48Å |
| 259 | H | 66.5 | Low | 66.3 | Low | 60 Ų | 60 | 64 Ų | 64 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -73.6 | -37.3 | 174.2 | -74.1 | -64.7 | 0 | 0 | 0 | 113.3 | V239 C242 H255 L256 G261 | V239-H259 HydrophobicContact CG2-CB 4.07Å; C242-H259 PolarHBondContact SG-NE2 3.49Å; C242-H259 VanDerWaalsContact SG-NE2 3.39Å; H255-H259 AromaticContact CE1-CD2 3.67Å; H255-H259 AromaticContact CE1-NE2 3.29Å; H255-H259 PolarHBondContact CE1-NE2 3.05Å; H255-H259 VanDerWaalsContact CE1-NE2 3.29Å; H255-H259 AromaticContact NE2-CD2 3.43Å; H255-H259 PolarHBondContact NE2-CD2 3.17Å; H255-H259 AromaticContact NE2-NE2 3.18Å; H255-H259 PolarHBondContact NE2-NE2 3.45Å; H255-H259 VanDerWaalsContact NE2-NE2 3.18Å; H255-H259 PolarHBondContact O-N 3.23Å; L256-H259 WeakPolarHBondContact O-CB 3.45Å; L256-H259 PolarHBondContact O-N 3.48Å; L256-H259 VanDerWaalsContact O-N 3.07Å; H259-G261 PolarHBondContact O-N 3.19Å |
| 260 | A | 60.6 | Low | 65.6 | Low | 23 Ų | 23 | 67.8 Ų | 67.8 | 19% | 0.19 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -6.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C217 P218 L256 E262 | C217-A260 HydrophobicContact CB-CB 4.32Å; P218-A260 HydrophobicContact CB-CB 4Å; L256-A260 PolarHBondContact O-N 3.36Å; A260-E262 HydrophobicContact CB-CG 4.35Å; A260-E262 PolarHBondContact O-N 3.19Å |
| 261 | G | 57.7 | Low | 64.8 | Low | 55 Ų | 55 | 71.2 Ų | 71.2 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | trans | 66.6 | -4.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R257 H259 K263 | R257-G261 PolarHBondContact O-N 3.21Å; H259-G261 PolarHBondContact O-N 3.19Å; G261-K263 PolarHBondContact O-N 3.28Å | ||
| 262 | E | 50 | Low | 64.3 | Low | 104 Ų | 104 | 68.5 Ų | 68.5 | 49% | 0.486 | 35% | 0.347 | S | S | . | . | trans | -70.3 | 99.3 | 176.7 | -69 | -178.1 | -178.1 | 0 | 0 | 109.7 | A260 P264 | A260-E262 HydrophobicContact CB-CG 4.35Å; A260-E262 PolarHBondContact O-N 3.19Å; E262-P264 VanDerWaalsContact C-CD 3.44Å; E262-P264 WeakPolarHBondContact O-CD 3.27Å | ||
| 263 | K | 56.6 | Low | 63.7 | Low | 85 Ų | 85 | 70.7 Ų | 70.7 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | trans | -104.3 | 88.1 | 169.4 | -63.5 | 173 | 160.8 | -145 | 0 | 108.6 | G261 F265 R275 T277 | G261-K263 PolarHBondContact O-N 3.28Å; K263-F265 VanDerWaalsContact C-N 3.29Å; K263-F265 PolarHBondContact O-N 3.48Å; K263-R275 HydrophobicContact CB-CB 3.53Å; K263-R275 HydrophobicContact CD-CB 3.57Å; K263-R275 WeakPolarHBondContact CD-O 3.38Å; K263-R275 HydrophobicContact CG-CB 4.21Å; K263-R275 PolarHBondContact NZ-O 3.35Å; K263-R275 PolarHBondContact O-NE 2.74Å; K263-R275 PolarHBondContact O-NH2 3.22Å; K263-T277 HydrophobicContact CG-CG2 4.16Å | ||
| 264 | P | 62.6 | Low | 63.4 | Low | 80 Ų | 80 | 72.8 Ų | 72.8 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | trans | -73.5 | -20.1 | -177.1 | 26.9 | -33.2 | 0 | 0 | 0 | 113 | E262 V266 | E262-P264 VanDerWaalsContact C-CD 3.44Å; E262-P264 WeakPolarHBondContact O-CD 3.27Å; P264-V266 PolarHBondContact O-N 2.83Å | ||
| 265 | F | 59.1 | Low | 63.2 | Low | 63 Ų | 63 | 78.5 Ų | 78.5 | 28% | 0.276 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 97.1 | -176.3 | -59.4 | -74.5 | 0 | 0 | 0 | 110.5 | K263 R275 F276 L282 | K263-F265 VanDerWaalsContact C-N 3.29Å; K263-F265 PolarHBondContact O-N 3.48Å; F265-R275 CarbonylContact O-C 3.56Å; F265-R275 WeakPolarHBondContact O-CA 3.31Å; F265-F276 HydrophobicContact CB-CB 4.15Å; F265-F276 WeakPolarHBondContact CB-O 3.39Å; F265-F276 PolarHBondContact N-O 2.93Å; F265-F276 PolarHBondContact O-N 2.82Å; F265-L282 HydrophobicContact CB-CB 3.98Å; F265-L282 HydrophobicContact CB-CD2 3.88Å; F265-L282 HydrophobicContact CB-CG 4.48Å; F265-L282 HydrophobicContact CD1-CD2 4.36Å |
| 266 | V | 59.3 | Low | 62.7 | Low | 70 Ų | 70 | 79.3 Ų | 79.3 | 42% | 0.424 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 134.6 | 177.9 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | P264 N268 R275 | P264-V266 PolarHBondContact O-N 2.83Å; V266-N268 PolarHBondContact O-N 2.88Å; V266-R275 HydrophobicContact CG1-CG 4.29Å; V266-R275 HydrophobicContact CG2-CG 4.08Å |
| 267 | C | 70.1 | Confident | 62.6 | Low | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.02 | 41% | 0.408 | C | S | . | . | trans | -68.1 | 112.4 | 165.2 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | W269 C272 K274 F276 L282 H285 H289 | C267-W269 PolarHBondContact O-N 3.46Å; C267-W269 VanDerWaalsContact O-N 3.08Å; C267-W269 WeakPolarHBondContact SG-CB 3.4Å; C267-C272 HydrophobicContact CB-CB 4.3Å; C267-K274 HydrophobicContact CB-CB 4.44Å; C267-K274 WeakPolarHBondContact CB-O 3.46Å; C267-K274 PolarHBondContact N-O 3.29Å; C267-F276 HydrophobicContact CB-CE2 4.39Å; C267-L282 HydrophobicContact CB-CD1 4.02Å; C267-H285 WeakPolarHBondContact CB-NE2 3.08Å; C267-H285 PolarHBondContact SG-CD2 3.46Å; C267-H285 PolarHBondContact SG-NE2 3.16Å; C267-H289 PolarHBondContact SG-NE2 2.87Å; C267-H289 VanDerWaalsContact SG-NE2 3.43Å | ||
| 268 | N | 61.2 | Low | 62.6 | Low | 163 Ų | 163 | 81.1 Ų | 81.1 | 87% | 0.872 | 41% | 0.412 | S | S | * | . | trans | -72.6 | 7.7 | 177.4 | -158.5 | 36.3 | 0 | 0 | 0 | 113 | V266 L270 | V266-N268 PolarHBondContact O-N 2.88Å; N268-L270 PolarHBondContact O-N 3.15Å | ||
| 269 | W | 57.6 | Low | 63.1 | Low | 63 Ų | 63 | 76.6 Ų | 76.6 | 24% | 0.239 | 41% | 0.405 | C | S | . | . | trans | -73.6 | 114.9 | 170.5 | -165.5 | -83.8 | 0 | 0 | 0 | 108.9 | M96 C267 F271 C272 G273 H289 | M96-W269 HydrophobicContact CE-CD2 4.46Å; M96-W269 HydrophobicContact CE-CE3 3.77Å; M96-W269 HydrophobicContact CE-CH2 3.22Å; M96-W269 HydrophobicContact CE-CZ2 3.96Å; M96-W269 HydrophobicContact CE-CZ3 3.11Å; M96-W269 HydrophobicContact SD-CH2 3.66Å; M96-W269 HydrophobicContact SD-CZ3 3.99Å; C267-W269 PolarHBondContact O-N 3.46Å; C267-W269 VanDerWaalsContact O-N 3.08Å; C267-W269 WeakPolarHBondContact SG-CB 3.4Å; W269-F271 PolarHBondContact O-N 3.49Å; W269-C272 HydrophobicContact CB-CB 3.87Å; W269-C272 HydrophobicContact CG-CB 4.31Å; W269-C272 PolarHBondContact O-N 2.98Å; W269-G273 PolarHBondContact O-N 3.38Å; W269-H289 AromaticContact CD1-CE1 3.49Å; W269-H289 VanDerWaalsContact CD1-CE1 3.49Å; W269-H289 AromaticContact CD1-ND1 3.72Å; W269-H289 HydrophobicContact CD2-CB 4.05Å; W269-H289 AromaticContact CD2-CE1 3.8Å; W269-H289 AromaticContact CD2-CG 3.6Å; W269-H289 AromaticContact CD2-ND1 3.36Å; W269-H289 AromaticContact CE2-ND1 3.53Å; W269-H289 HydrophobicContact CE3-CB 3.57Å; W269-H289 AromaticContact CE3-CG 3.6Å; W269-H289 AromaticContact CE3-ND1 3.85Å; W269-H289 AromaticContact CG-CE1 3.4Å; W269-H289 VanDerWaalsContact CG-CE1 3.4Å; W269-H289 AromaticContact CG-CG 3.92Å; W269-H289 AromaticContact CG-ND1 3.52Å; W269-H289 AromaticContact CG-NE2 3.75Å; W269-H289 HydrophobicContact CH2-CB 4.12Å; W269-H289 HydrophobicContact CZ3-CB 3.6Å; W269-H289 AromaticContact NE1-CE1 3.91Å; W269-H289 AromaticContact NE1-ND1 3.74Å | ||
| 270 | L | 60.4 | Low | 63.6 | Low | 151 Ų | 151 | 76.5 Ų | 76.5 | 79% | 0.791 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -34.7 | -170.3 | -170 | 65.5 | 0 | 0 | 0 | 113.7 | N268 | N268-L270 PolarHBondContact O-N 3.15Š|
| 271 | F | 61.2 | Low | 64.3 | Low | 134 Ų | 134 | 78.4 Ų | 78.4 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -8.8 | -179.3 | -59.7 | -74.1 | 0 | 0 | 0 | 115.2 | H58 W269 | H58-F271 AromaticContact CE1-CD1 3.59Å; H58-F271 AromaticContact CE1-CG 3.5Å; H58-F271 VanDerWaalsContact CE1-CG 3.5Å; H58-F271 WeakPolarHBondContact CE1-CG 3.48Å; H58-F271 AromaticContact ND1-CD1 3.98Å; W269-F271 PolarHBondContact O-N 3.49Å |
| 272 | C | 67.1 | Low | 65.3 | Low | 28 Ų | 28 | 76.9 Ų | 76.9 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -46.1 | -174.8 | -153.5 | 0 | 0 | 0 | 0 | 112 | C267 W269 K274 H285 H289 | C267-C272 HydrophobicContact CB-CB 4.3Å; W269-C272 HydrophobicContact CB-CB 3.87Å; W269-C272 HydrophobicContact CG-CB 4.31Å; W269-C272 PolarHBondContact O-N 2.98Å; C272-K274 WeakPolarHBondContact O-CG 3.33Å; C272-K274 PolarHBondContact O-N 2.95Å; C272-K274 WeakPolarHBondContact SG-CD 3.45Å; C272-K274 VanDerWaalsContact SG-CG 3.55Å; C272-H285 PolarHBondContact SG-CE1 3.06Å; C272-H285 PolarHBondContact SG-NE2 3.14Å; C272-H289 WeakPolarHBondContact CB-NE2 3.49Å; C272-H289 PolarHBondContact SG-NE2 3.07Å; C272-H289 VanDerWaalsContact SG-NE2 3.43Å |
| 273 | G | 62.9 | Low | 66.4 | Low | 52 Ų | 52 | 77.2 Ų | 77.2 | 54% | 0.536 | 39% | 0.391 | S | S | . | . | trans | 55.4 | 8.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | W269 R275 | W269-G273 PolarHBondContact O-N 3.38Å; G273-R275 PolarHBondContact O-N 3.29Å | ||
| 274 | K | 67.4 | Low | 67.3 | Low | 115 Ų | 115 | 75.8 Ų | 75.8 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | trans | -73.4 | 129.2 | -172.2 | -74.1 | -178.3 | -167.8 | 176.4 | 0 | 109.8 | C267 C272 F276 | C267-K274 HydrophobicContact CB-CB 4.44Å; C267-K274 WeakPolarHBondContact CB-O 3.46Å; C267-K274 PolarHBondContact N-O 3.29Å; C272-K274 WeakPolarHBondContact O-CG 3.33Å; C272-K274 PolarHBondContact O-N 2.95Å; C272-K274 WeakPolarHBondContact SG-CD 3.45Å; C272-K274 VanDerWaalsContact SG-CG 3.55Å; K274-F276 HydrophobicContact CB-CE2 3.6Å; K274-F276 HydrophobicContact CB-CZ 3.68Å; K274-F276 HydrophobicContact CD-CZ 4.29Å | ||
| 275 | R | 66 | Low | 68.1 | Low | 133 Ų | 133 | 72.7 Ų | 72.7 | 50% | 0.502 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 129.1 | -179.1 | -56.7 | -176.4 | 70.6 | 167 | 5.5 | 110.1 | K263 F265 V266 G273 | K263-R275 HydrophobicContact CB-CB 3.53Å; K263-R275 HydrophobicContact CD-CB 3.57Å; K263-R275 WeakPolarHBondContact CD-O 3.38Å; K263-R275 HydrophobicContact CG-CB 4.21Å; K263-R275 PolarHBondContact NZ-O 3.35Å; K263-R275 PolarHBondContact O-NE 2.74Å; K263-R275 PolarHBondContact O-NH2 3.22Å; F265-R275 CarbonylContact O-C 3.56Å; F265-R275 WeakPolarHBondContact O-CA 3.31Å; V266-R275 HydrophobicContact CG1-CG 4.29Å; V266-R275 HydrophobicContact CG2-CG 4.08Å; G273-R275 PolarHBondContact O-N 3.29Å |
| 276 | F | 68.4 | Low | 68.9 | Low | 32 Ų | 32 | 72.3 Ų | 72.3 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 151 | -175.6 | -59.1 | -79.2 | 0 | 0 | 0 | 111.3 | F265 C267 K274 E281 L282 H285 | F265-F276 HydrophobicContact CB-CB 4.15Å; F265-F276 WeakPolarHBondContact CB-O 3.39Å; F265-F276 PolarHBondContact N-O 2.93Å; F265-F276 PolarHBondContact O-N 2.82Å; C267-F276 HydrophobicContact CB-CE2 4.39Å; K274-F276 HydrophobicContact CB-CE2 3.6Å; K274-F276 HydrophobicContact CB-CZ 3.68Å; K274-F276 HydrophobicContact CD-CZ 4.29Å; F276-E281 HydrophobicContact CB-CB 4.17Å; F276-E281 HydrophobicContact CB-CG 4.29Å; F276-E281 HydrophobicContact CD1-CB 4.02Å; F276-E281 HydrophobicContact CD1-CG 3.24Å; F276-E281 HydrophobicContact CE1-CG 3.79Å; F276-E281 HydrophobicContact CG-CB 4.3Å; F276-E281 HydrophobicContact CG-CG 4Å; F276-L282 HydrophobicContact CB-CB 4.41Å; F276-L282 HydrophobicContact CD2-CB 4.11Å; F276-L282 HydrophobicContact CD2-CD1 3.88Å; F276-L282 HydrophobicContact CE2-CD1 4.19Å; F276-L282 HydrophobicContact CG-CB 4.49Å; F276-H285 HydrophobicContact CE1-CB 4.07Å; F276-H285 HydrophobicContact CE2-CB 3.67Å; F276-H285 AromaticContact CE2-CD2 3.16Å; F276-H285 WeakPolarHBondContact CE2-CD2 3.48Å; F276-H285 AromaticContact CE2-CG 3.43Å; F276-H285 VanDerWaalsContact CE2-CG 3.43Å; F276-H285 AromaticContact CE2-NE2 3.92Å; F276-H285 HydrophobicContact CZ-CB 3.38Å; F276-H285 AromaticContact CZ-CD2 3.44Å; F276-H285 VanDerWaalsContact CZ-CD2 3.44Å; F276-H285 WeakPolarHBondContact CZ-CD2 3.37Å; F276-H285 AromaticContact CZ-CG 3.2Å; F276-H285 AromaticContact CZ-ND1 3.81Å |
| 277 | T | 64.9 | Low | 69.5 | Low | 30 Ų | 30 | 72.6 Ų | 72.6 | 18% | 0.184 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -87.8 | -15.7 | -179.1 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | R257 W258 K263 | R257-T277 PolarHBondContact NH1-O 3.33Å; W258-T277 HydrophobicContact CB-CG2 4.48Å; K263-T277 HydrophobicContact CG-CG2 4.16Å |
| 278 | R | 69.6 | Low | 69.6 | Low | 101 Ų | 101 | 76.1 Ų | 76.1 | 38% | 0.381 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -136.1 | 146.7 | -178.1 | -54.6 | 171.9 | 55.5 | 133.8 | -2.4 | 111.4 | A254 D280 E281 L282 | A254-R278 HydrophobicContact CB-CG 4.5Å; R278-D280 VanDerWaalsContact C-N 3.34Å; R278-D280 WeakPolarHBondContact CB-OD1 3.45Å; R278-D280 IonicContact CZ-OD1 3.37Å; R278-D280 IonicContact CZ-OD2 3.31Å; R278-D280 IonicContact NE-OD1 2.68Å; R278-D280 PolarHBondContact NE-OD1 3.27Å; R278-D280 IonicContact NE-OD2 2.78Å; R278-D280 IonicContact NH2-OD1 3.45Å; R278-D280 PolarHBondContact NH2-OD1 2.6Å; R278-D280 IonicContact NH2-OD2 3.48Å; R278-D280 PolarHBondContact O-N 2.83Å; R278-E281 PolarHBondContact O-N 2.68Å; R278-L282 PolarHBondContact O-N 3.48Å |
| 279 | S | 76.2 | Confident | 70 | Confident | 64 Ų | 64 | 70.1 Ų | 70.1 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 178.4 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | E281 L282 Q283 | S279-E281 PolarHBondContact O-N 3.49Å; S279-L282 PolarHBondContact O-N 2.78Å; S279-Q283 WeakPolarHBondContact O-CB 3.45Å; S279-Q283 WeakPolarHBondContact O-CG 3.41Å; S279-Q283 PolarHBondContact O-N 3.42Å |
| 280 | D | 76.1 | Confident | 70.5 | Confident | 57 Ų | 57 | 72.5 Ų | 72.5 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -31.3 | 177.9 | 60 | -69.8 | 0 | 0 | 0 | 112.6 | R278 R284 | R278-D280 VanDerWaalsContact C-N 3.34Å; R278-D280 WeakPolarHBondContact CB-OD1 3.45Å; R278-D280 IonicContact CZ-OD1 3.37Å; R278-D280 IonicContact CZ-OD2 3.31Å; R278-D280 IonicContact NE-OD1 2.68Å; R278-D280 PolarHBondContact NE-OD1 3.27Å; R278-D280 IonicContact NE-OD2 2.78Å; R278-D280 IonicContact NH2-OD1 3.45Å; R278-D280 PolarHBondContact NH2-OD1 2.6Å; R278-D280 IonicContact NH2-OD2 3.48Å; R278-D280 PolarHBondContact O-N 2.83Å; D280-R284 WeakPolarHBondContact O-CB 2.97Å; D280-R284 PolarHBondContact O-N 3.22Å; D280-R284 IonicContact OD2-NH2 3.92Å |
| 281 | E | 75.1 | Confident | 70.7 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73 | -43.2 | 174.4 | -166.6 | 65.9 | -128.2 | 0 | 0 | 111.3 | F276 R278 S279 Q283 R284 H285 | F276-E281 HydrophobicContact CB-CB 4.17Å; F276-E281 HydrophobicContact CB-CG 4.29Å; F276-E281 HydrophobicContact CD1-CB 4.02Å; F276-E281 HydrophobicContact CD1-CG 3.24Å; F276-E281 HydrophobicContact CE1-CG 3.79Å; F276-E281 HydrophobicContact CG-CB 4.3Å; F276-E281 HydrophobicContact CG-CG 4Å; R278-E281 PolarHBondContact O-N 2.68Å; S279-E281 PolarHBondContact O-N 3.49Å; E281-Q283 VanDerWaalsContact C-N 3.35Å; E281-Q283 PolarHBondContact O-N 2.74Å; E281-R284 PolarHBondContact O-N 3.46Å; E281-R284 IonicContact OE1-CZ 3.55Å; E281-R284 IonicContact OE1-NH1 2.6Å; E281-R284 PolarHBondContact OE1-NH1 3.31Å; E281-R284 IonicContact OE2-CZ 3.53Å; E281-R284 IonicContact OE2-NH1 3.35Å; E281-R284 PolarHBondContact OE2-NH1 3.25Å; E281-R284 IonicContact OE2-NH2 2.93Å; E281-H285 VanDerWaalsContact O-CB 3.31Å; E281-H285 WeakPolarHBondContact O-CB 3.23Å; E281-H285 PolarHBondContact O-N 2.86Å |
| 282 | L | 78.7 | Confident | 70.8 | Confident | 23 Ų | 23 | 63 Ų | 63 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 173.6 | 175.1 | 63 | 0 | 0 | 0 | 111 | F265 C267 F276 R278 S279 R284 H285 L286 | F265-L282 HydrophobicContact CB-CB 3.98Å; F265-L282 HydrophobicContact CB-CD2 3.88Å; F265-L282 HydrophobicContact CB-CG 4.48Å; F265-L282 HydrophobicContact CD1-CD2 4.36Å; C267-L282 HydrophobicContact CB-CD1 4.02Å; F276-L282 HydrophobicContact CB-CB 4.41Å; F276-L282 HydrophobicContact CD2-CB 4.11Å; F276-L282 HydrophobicContact CD2-CD1 3.88Å; F276-L282 HydrophobicContact CE2-CD1 4.19Å; F276-L282 HydrophobicContact CG-CB 4.49Å; R278-L282 PolarHBondContact O-N 3.48Å; S279-L282 PolarHBondContact O-N 2.78Å; L282-R284 VanDerWaalsContact C-N 3.28Å; L282-R284 PolarHBondContact O-N 3.23Å; L282-H285 CarbonylContact O-C 3.53Å; L282-H285 WeakPolarHBondContact O-CB 3.37Å; L282-H285 PolarHBondContact O-N 3.42Å; L282-H285 VanDerWaalsContact O-N 3.12Å; L282-L286 HydrophobicContact CD1-CD1 4.27Å; L282-L286 HydrophobicContact CD1-CG 4.09Å; L282-L286 HydrophobicContact CG-CD1 4.06Å; L282-L286 HydrophobicContact CG-CG 4.34Å; L282-L286 WeakPolarHBondContact O-CG 3.1Å; L282-L286 PolarHBondContact O-N 2.94Å |
| 283 | Q | 74.4 | Confident | 70.9 | Confident | 110 Ų | 110 | 66 Ų | 66 | 51% | 0.514 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 177 | -74.7 | -65.4 | -26.5 | 0 | 0 | 112.8 | S279 E281 R287 | S279-Q283 WeakPolarHBondContact O-CB 3.45Å; S279-Q283 WeakPolarHBondContact O-CG 3.41Å; S279-Q283 PolarHBondContact O-N 3.42Å; E281-Q283 VanDerWaalsContact C-N 3.35Å; E281-Q283 PolarHBondContact O-N 2.74Å; Q283-R287 PolarHBondContact O-N 2.87Å; Q283-R287 PolarHBondContact O-NE 3.24Å; Q283-R287 VanDerWaalsContact O-NE 3.17Å |
| 284 | R | 74.9 | Confident | 71.5 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 21% | 0.211 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.4 | -37.7 | 174.2 | -164 | -177.1 | -47 | 126 | 7.6 | 111.6 | D280 E281 L282 R287 R306 | D280-R284 WeakPolarHBondContact O-CB 2.97Å; D280-R284 PolarHBondContact O-N 3.22Å; D280-R284 IonicContact OD2-NH2 3.92Å; E281-R284 PolarHBondContact O-N 3.46Å; E281-R284 IonicContact OE1-CZ 3.55Å; E281-R284 IonicContact OE1-NH1 2.6Å; E281-R284 PolarHBondContact OE1-NH1 3.31Å; E281-R284 IonicContact OE2-CZ 3.53Å; E281-R284 IonicContact OE2-NH1 3.35Å; E281-R284 PolarHBondContact OE2-NH1 3.25Å; E281-R284 IonicContact OE2-NH2 2.93Å; L282-R284 VanDerWaalsContact C-N 3.28Å; L282-R284 PolarHBondContact O-N 3.23Å; R284-R287 WeakPolarHBondContact O-CB 3.43Å; R284-R287 PolarHBondContact O-N 3.17Å; R284-R306 HydrophobicContact CG-CG 4.17Å |
| 285 | H | 80.3 | Confident | 71.8 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 7% | 0.065 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 176.1 | 171.6 | 56.9 | 0 | 0 | 0 | 112.4 | C267 C272 F276 E281 L282 R287 T288 H289 | C267-H285 WeakPolarHBondContact CB-NE2 3.08Å; C267-H285 PolarHBondContact SG-CD2 3.46Å; C267-H285 PolarHBondContact SG-NE2 3.16Å; C272-H285 PolarHBondContact SG-CE1 3.06Å; C272-H285 PolarHBondContact SG-NE2 3.14Å; F276-H285 HydrophobicContact CE1-CB 4.07Å; F276-H285 HydrophobicContact CE2-CB 3.67Å; F276-H285 AromaticContact CE2-CD2 3.16Å; F276-H285 WeakPolarHBondContact CE2-CD2 3.48Å; F276-H285 AromaticContact CE2-CG 3.43Å; F276-H285 VanDerWaalsContact CE2-CG 3.43Å; F276-H285 AromaticContact CE2-NE2 3.92Å; F276-H285 HydrophobicContact CZ-CB 3.38Å; F276-H285 AromaticContact CZ-CD2 3.44Å; F276-H285 VanDerWaalsContact CZ-CD2 3.44Å; F276-H285 WeakPolarHBondContact CZ-CD2 3.37Å; F276-H285 AromaticContact CZ-CG 3.2Å; F276-H285 AromaticContact CZ-ND1 3.81Å; E281-H285 VanDerWaalsContact O-CB 3.31Å; E281-H285 WeakPolarHBondContact O-CB 3.23Å; E281-H285 PolarHBondContact O-N 2.86Å; L282-H285 CarbonylContact O-C 3.53Å; L282-H285 WeakPolarHBondContact O-CB 3.37Å; L282-H285 PolarHBondContact O-N 3.42Å; L282-H285 VanDerWaalsContact O-N 3.12Å; H285-R287 PolarHBondContact O-N 3.3Å; H285-T288 PolarHBondContact ND1-OG1 3.22Å; H285-T288 WeakPolarHBondContact O-CA 3.37Å; H285-T288 VanDerWaalsContact O-CB 3.27Å; H285-T288 WeakPolarHBondContact O-CB 3.29Å; H285-T288 PolarHBondContact O-N 2.58Å; H285-T288 PolarHBondContact O-OG1 3.37Å; H285-H289 AromaticContact CE1-CD2 3.9Å; H285-H289 AromaticContact CE1-NE2 3.29Å; H285-H289 PolarHBondContact CE1-NE2 3.32Å; H285-H289 VanDerWaalsContact CE1-NE2 3.29Å; H285-H289 AromaticContact NE2-CD2 3.75Å; H285-H289 AromaticContact NE2-NE2 3.16Å; H285-H289 PolarHBondContact NE2-NE2 3.5Å; H285-H289 VanDerWaalsContact NE2-NE2 3.16Å |
| 286 | L | 74.3 | Confident | 72.4 | Confident | 55 Ų | 55 | 64.1 Ų | 64.1 | 29% | 0.288 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -34.8 | 175.9 | -73.2 | 169.6 | 0 | 0 | 0 | 111.7 | L282 T288 H289 T290 | L282-L286 HydrophobicContact CD1-CD1 4.27Å; L282-L286 HydrophobicContact CD1-CG 4.09Å; L282-L286 HydrophobicContact CG-CD1 4.06Å; L282-L286 HydrophobicContact CG-CG 4.34Å; L282-L286 WeakPolarHBondContact O-CG 3.1Å; L282-L286 PolarHBondContact O-N 2.94Å; L286-T288 PolarHBondContact O-N 3Å; L286-T288 VanDerWaalsContact O-N 3.16Å; L286-H289 WeakPolarHBondContact O-CB 3.49Å; L286-H289 PolarHBondContact O-N 2.92Å; L286-T290 PolarHBondContact O-N 2.95Å; L286-T290 PolarHBondContact O-OG1 3.1Å |
| 287 | R | 73 | Confident | 73.1 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -25.6 | 171.2 | -70.2 | 177.1 | -108.5 | -163.7 | -7.3 | 113.3 | Q283 R284 H285 H289 G291 D292 M305 | Q283-R287 PolarHBondContact O-N 2.87Å; Q283-R287 PolarHBondContact O-NE 3.24Å; Q283-R287 VanDerWaalsContact O-NE 3.17Å; R284-R287 WeakPolarHBondContact O-CB 3.43Å; R284-R287 PolarHBondContact O-N 3.17Å; H285-R287 PolarHBondContact O-N 3.3Å; R287-H289 VanDerWaalsContact C-N 3.28Å; R287-G291 PolarHBondContact O-N 2.72Å; R287-G291 VanDerWaalsContact O-N 3.12Å; R287-D292 PolarHBondContact O-N 3.4Å; R287-M305 HydrophobicContact CB-CG 3.9Å; R287-M305 HydrophobicContact CB-SD 3.9Å; R287-M305 WeakPolarHBondContact O-CE 3.36Å |
| 288 | T | 72.9 | Confident | 73.8 | Confident | 77 Ų | 77 | 66.7 Ų | 66.7 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.3 | -27.4 | 173.6 | 69.7 | 0 | 0 | 0 | 0 | 113 | H285 L286 M305 | H285-T288 PolarHBondContact ND1-OG1 3.22Å; H285-T288 WeakPolarHBondContact O-CA 3.37Å; H285-T288 VanDerWaalsContact O-CB 3.27Å; H285-T288 WeakPolarHBondContact O-CB 3.29Å; H285-T288 PolarHBondContact O-N 2.58Å; H285-T288 PolarHBondContact O-OG1 3.37Å; L286-T288 PolarHBondContact O-N 3Å; L286-T288 VanDerWaalsContact O-N 3.16Å; T288-M305 VanDerWaalsContact CA-SD 3.57Å; T288-M305 HydrophobicContact CG2-CE 4.26Å; T288-M305 HydrophobicContact CG2-SD 3.4Å; T288-M305 WeakPolarHBondContact CG2-SD 3.34Å; T288-M305 PolarHBondContact N-SD 3.28Å; T288-M305 VanDerWaalsContact N-SD 3.43Å |
| 289 | H | 69.6 | Low | 74.2 | Confident | 38 Ų | 38 | 68 Ų | 68 | 18% | 0.176 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -79 | -41.8 | 174.1 | -70.6 | -63.5 | 0 | 0 | 0 | 112.2 | C267 W269 C272 H285 L286 R287 G291 | C267-H289 PolarHBondContact SG-NE2 2.87Å; C267-H289 VanDerWaalsContact SG-NE2 3.43Å; W269-H289 AromaticContact CD1-CE1 3.49Å; W269-H289 VanDerWaalsContact CD1-CE1 3.49Å; W269-H289 AromaticContact CD1-ND1 3.72Å; W269-H289 HydrophobicContact CD2-CB 4.05Å; W269-H289 AromaticContact CD2-CE1 3.8Å; W269-H289 AromaticContact CD2-CG 3.6Å; W269-H289 AromaticContact CD2-ND1 3.36Å; W269-H289 AromaticContact CE2-ND1 3.53Å; W269-H289 HydrophobicContact CE3-CB 3.57Å; W269-H289 AromaticContact CE3-CG 3.6Å; W269-H289 AromaticContact CE3-ND1 3.85Å; W269-H289 AromaticContact CG-CE1 3.4Å; W269-H289 VanDerWaalsContact CG-CE1 3.4Å; W269-H289 AromaticContact CG-CG 3.92Å; W269-H289 AromaticContact CG-ND1 3.52Å; W269-H289 AromaticContact CG-NE2 3.75Å; W269-H289 HydrophobicContact CH2-CB 4.12Å; W269-H289 HydrophobicContact CZ3-CB 3.6Å; W269-H289 AromaticContact NE1-CE1 3.91Å; W269-H289 AromaticContact NE1-ND1 3.74Å; C272-H289 WeakPolarHBondContact CB-NE2 3.49Å; C272-H289 PolarHBondContact SG-NE2 3.07Å; C272-H289 VanDerWaalsContact SG-NE2 3.43Å; H285-H289 AromaticContact CE1-CD2 3.9Å; H285-H289 AromaticContact CE1-NE2 3.29Å; H285-H289 PolarHBondContact CE1-NE2 3.32Å; H285-H289 VanDerWaalsContact CE1-NE2 3.29Å; H285-H289 AromaticContact NE2-CD2 3.75Å; H285-H289 AromaticContact NE2-NE2 3.16Å; H285-H289 PolarHBondContact NE2-NE2 3.5Å; H285-H289 VanDerWaalsContact NE2-NE2 3.16Å; L286-H289 WeakPolarHBondContact O-CB 3.49Å; L286-H289 PolarHBondContact O-N 2.92Å; R287-H289 VanDerWaalsContact C-N 3.28Å; H289-G291 PolarHBondContact O-N 3.03Å |
| 290 | T | 67.5 | Low | 74.5 | Confident | 112 Ų | 112 | 67.5 Ų | 67.5 | 69% | 0.687 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -75.2 | -11.6 | -179.4 | -37.4 | 0 | 0 | 0 | 0 | 113.1 | L286 D292 | L286-T290 PolarHBondContact O-N 2.95Å; L286-T290 PolarHBondContact O-OG1 3.1Å; T290-D292 PolarHBondContact O-N 3.48Å; T290-D292 VanDerWaalsContact O-N 3.17Å |
| 291 | G | 64.3 | Low | 74.6 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 14.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R287 H289 K293 | R287-G291 PolarHBondContact O-N 2.72Å; R287-G291 VanDerWaalsContact O-N 3.12Å; H289-G291 PolarHBondContact O-N 3.03Å; G291-K293 PolarHBondContact O-N 3.12Å |
| 292 | D | 63.1 | Low | 74.9 | Confident | 49 Ų | 49 | 70 Ų | 70 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | trans | -72.5 | 96.7 | -172 | -172.7 | -1.9 | 0 | 0 | 0 | 111 | R287 T290 R294 | R287-D292 PolarHBondContact O-N 3.4Å; T290-D292 PolarHBondContact O-N 3.48Å; T290-D292 VanDerWaalsContact O-N 3.17Å; D292-R294 PolarHBondContact O-N 3.18Å; D292-R294 WeakPolarHBondContact OD1-CG 3.5Å; D292-R294 IonicContact OD1-NE 3.64Å; D292-R294 IonicContact OD2-CZ 3.21Å; D292-R294 IonicContact OD2-NE 2.73Å; D292-R294 PolarHBondContact OD2-NE 2.9Å; D292-R294 IonicContact OD2-NH2 2.81Å; D292-R294 PolarHBondContact OD2-NH2 3.46Å | ||
| 293 | K | 70.1 | Confident | 74.9 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 39% | 0.391 | 41% | 0.405 | S | S | . | . | trans | -95.3 | 88.2 | 176.6 | -63.6 | 170 | 177.1 | -172.3 | 0 | 109.5 | G291 R303 F304 | G291-K293 PolarHBondContact O-N 3.12Å; K293-R303 HydrophobicContact CB-CB 3.54Å; K293-R303 HydrophobicContact CD-CB 4.05Å; K293-R303 WeakPolarHBondContact CD-O 3.38Å; K293-R303 HydrophobicContact CG-CB 4.4Å; K293-R303 PolarHBondContact O-NE 3.29Å; K293-R303 PolarHBondContact O-NH2 3.24Å; K293-F304 CarbonylContact C-O 3.41Å; K293-F304 WeakPolarHBondContact CA-O 3.31Å | ||
| 294 | R | 75.1 | Confident | 75 | Confident | 145 Ų | 145 | 72.9 Ų | 72.9 | 55% | 0.547 | 39% | 0.39 | S | S | . | . | trans | -76.6 | -23.5 | -176.9 | -61.6 | -172.9 | -176.2 | -178.3 | 0.3 | 114.8 | D292 F304 | D292-R294 PolarHBondContact O-N 3.18Å; D292-R294 WeakPolarHBondContact OD1-CG 3.5Å; D292-R294 IonicContact OD1-NE 3.64Å; D292-R294 IonicContact OD2-CZ 3.21Å; D292-R294 IonicContact OD2-NE 2.73Å; D292-R294 PolarHBondContact OD2-NE 2.9Å; D292-R294 IonicContact OD2-NH2 2.81Å; D292-R294 PolarHBondContact OD2-NH2 3.46Å; R294-F304 PolarHBondContact N-O 3.39Å | ||
| 295 | F | 72.7 | Confident | 75 | Confident | 66 Ų | 66 | 72 Ų | 72 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 101.6 | -169.8 | -61 | -78.2 | 0 | 0 | 0 | 111 | R303 F304 R306 L310 | F295-R303 CarbonylContact O-C 3.49Å; F295-R303 WeakPolarHBondContact O-CA 3.4Å; F295-F304 HydrophobicContact CB-CB 4.28Å; F295-F304 WeakPolarHBondContact CB-O 3.48Å; F295-F304 PolarHBondContact N-O 3.04Å; F295-F304 PolarHBondContact O-N 3.32Å; F295-R306 VanDerWaalsContact CD2-C 3.43Å; F295-L310 HydrophobicContact CB-CB 4.06Å; F295-L310 HydrophobicContact CB-CD2 3.85Å; F295-L310 HydrophobicContact CB-CG 4.48Å; F295-L310 HydrophobicContact CD1-CD2 4.47Å |
| 296 | A | 78.8 | Confident | 74.8 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 140.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | K302 R303 | A296-K302 CarbonylContact C-O 3.55Å; A296-K302 WeakPolarHBondContact CA-O 3.5Å; A296-R303 HydrophobicContact CB-CG 4.29Å |
| 297 | C | 82.5 | Confident | 75.2 | Confident | 6 Ų | 6 | 76 Ų | 76 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | trans | -76.8 | 124.8 | 168.4 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | Q299 C300 G301 K302 F304 L310 H317 | C297-Q299 PolarHBondContact O-N 3.29Å; C297-C300 VanDerWaalsContact CB-SG 3.58Å; C297-C300 VanDerWaalsContact SG-SG 3.63Å; C297-G301 VanDerWaalsContact O-CA 3.27Å; C297-G301 WeakPolarHBondContact O-CA 3.49Å; C297-G301 PolarHBondContact O-N 3.43Å; C297-K302 PolarHBondContact N-O 3.17Å; C297-F304 HydrophobicContact CB-CE2 4.29Å; C297-L310 VanDerWaalsContact CA-CD1 3.48Å; C297-L310 HydrophobicContact CB-CD1 3.68Å; C297-H317 VanDerWaalsContact SG-CD2 3.56Å; C297-H317 PolarHBondContact SG-NE2 3.47Å | ||
| 298 | A | 81.1 | Confident | 75.6 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 90% | 0.901 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 299 | Q | 77.5 | Confident | 76.1 | Confident | 130 Ų | 130 | 74.8 Ų | 74.8 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -25.4 | -175.7 | -75.5 | 173.1 | -43.9 | 0 | 0 | 114.4 | C297 H317 | C297-Q299 PolarHBondContact O-N 3.29Å; Q299-H317 PolarHBondContact OE1-CD2 3.21Å |
| 300 | C | 82.2 | Confident | 76.9 | Confident | 52 Ų | 52 | 74.7 Ų | 74.7 | 35% | 0.351 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | 3.3 | -175.3 | 70.3 | 0 | 0 | 0 | 0 | 114.7 | C297 K302 H313 H317 | C297-C300 VanDerWaalsContact CB-SG 3.58Å; C297-C300 VanDerWaalsContact SG-SG 3.63Å; C300-K302 PolarHBondContact O-N 3.18Å; C300-K302 VanDerWaalsContact SG-CB 3.59Å; C300-K302 WeakPolarHBondContact SG-CG 3.5Å; C300-H313 PolarHBondContact SG-NE2 2.78Å; C300-H317 PolarHBondContact SG-NE2 3.43Å |
| 301 | G | 79.7 | Confident | 77.7 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | trans | 69.1 | -3.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C297 R303 | C297-G301 VanDerWaalsContact O-CA 3.27Å; C297-G301 WeakPolarHBondContact O-CA 3.49Å; C297-G301 PolarHBondContact O-N 3.43Å; G301-R303 PolarHBondContact O-N 3.13Å | ||
| 302 | K | 79.8 | Confident | 78.7 | Confident | 124 Ų | 124 | 76.9 Ų | 76.9 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | trans | -61.4 | 127 | -178.4 | -71.2 | 177.6 | -174.7 | -180 | 0 | 110.8 | A296 C297 C300 F304 | A296-K302 CarbonylContact C-O 3.55Å; A296-K302 WeakPolarHBondContact CA-O 3.5Å; C297-K302 PolarHBondContact N-O 3.17Å; C300-K302 PolarHBondContact O-N 3.18Å; C300-K302 VanDerWaalsContact SG-CB 3.59Å; C300-K302 WeakPolarHBondContact SG-CG 3.5Å; K302-F304 HydrophobicContact CB-CE2 3.75Å; K302-F304 HydrophobicContact CB-CZ 3.94Å; K302-F304 WeakPolarHBondContact O-CD2 3.49Å; K302-F304 VanDerWaalsContact O-CE2 3.3Å; K302-F304 WeakPolarHBondContact O-CE2 3.22Å | ||
| 303 | R | 79 | Confident | 79.8 | Confident | 146 Ų | 146 | 75.7 Ų | 75.7 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.3 | -178.7 | -52 | -175 | 68.7 | 109.6 | -1.2 | 111.7 | K293 F295 A296 G301 | K293-R303 HydrophobicContact CB-CB 3.54Å; K293-R303 HydrophobicContact CD-CB 4.05Å; K293-R303 WeakPolarHBondContact CD-O 3.38Å; K293-R303 HydrophobicContact CG-CB 4.4Å; K293-R303 PolarHBondContact O-NE 3.29Å; K293-R303 PolarHBondContact O-NH2 3.24Å; F295-R303 CarbonylContact O-C 3.49Å; F295-R303 WeakPolarHBondContact O-CA 3.4Å; A296-R303 HydrophobicContact CB-CG 4.29Å; G301-R303 PolarHBondContact O-N 3.13Å |
| 304 | F | 76.7 | Confident | 80.4 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 20% | 0.202 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149.8 | -179.2 | -59.7 | -86 | 0 | 0 | 0 | 110.4 | K293 R294 F295 C297 K302 H309 L310 H313 | K293-F304 CarbonylContact C-O 3.41Å; K293-F304 WeakPolarHBondContact CA-O 3.31Å; R294-F304 PolarHBondContact N-O 3.39Å; F295-F304 HydrophobicContact CB-CB 4.28Å; F295-F304 WeakPolarHBondContact CB-O 3.48Å; F295-F304 PolarHBondContact N-O 3.04Å; F295-F304 PolarHBondContact O-N 3.32Å; C297-F304 HydrophobicContact CB-CE2 4.29Å; K302-F304 HydrophobicContact CB-CE2 3.75Å; K302-F304 HydrophobicContact CB-CZ 3.94Å; K302-F304 WeakPolarHBondContact O-CD2 3.49Å; K302-F304 VanDerWaalsContact O-CE2 3.3Å; K302-F304 WeakPolarHBondContact O-CE2 3.22Å; F304-H309 HydrophobicContact CB-CB 4.3Å; F304-H309 HydrophobicContact CD1-CB 3.94Å; F304-H309 HydrophobicContact CG-CB 4.36Å; F304-L310 HydrophobicContact CB-CB 4.35Å; F304-L310 HydrophobicContact CD2-CB 4.03Å; F304-L310 HydrophobicContact CD2-CD1 3.82Å; F304-L310 HydrophobicContact CE2-CD1 4.09Å; F304-L310 HydrophobicContact CG-CB 4.36Å; F304-H313 HydrophobicContact CE1-CB 4.06Å; F304-H313 HydrophobicContact CE2-CB 3.92Å; F304-H313 AromaticContact CE2-CD2 3.29Å; F304-H313 WeakPolarHBondContact CE2-CD2 3.44Å; F304-H313 AromaticContact CE2-CG 3.65Å; F304-H313 HydrophobicContact CZ-CB 3.5Å; F304-H313 AromaticContact CZ-CD2 3.37Å; F304-H313 WeakPolarHBondContact CZ-CD2 3.32Å; F304-H313 AromaticContact CZ-CG 3.26Å; F304-H313 AromaticContact CZ-ND1 3.92Å |
| 305 | M | 75.5 | Confident | 80.8 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 19% | 0.187 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -81.1 | -20.8 | 178 | -164.6 | 173.2 | -70.5 | 0 | 0 | 113 | R287 T288 | R287-M305 HydrophobicContact CB-CG 3.9Å; R287-M305 HydrophobicContact CB-SD 3.9Å; R287-M305 WeakPolarHBondContact O-CE 3.36Å; T288-M305 VanDerWaalsContact CA-SD 3.57Å; T288-M305 HydrophobicContact CG2-CE 4.26Å; T288-M305 HydrophobicContact CG2-SD 3.4Å; T288-M305 WeakPolarHBondContact CG2-SD 3.34Å; T288-M305 PolarHBondContact N-SD 3.28Å; T288-M305 VanDerWaalsContact N-SD 3.43Å |
| 306 | R | 75.3 | Confident | 81.2 | Confident | 82 Ų | 82 | 75.4 Ų | 75.4 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -132.6 | 144.8 | -177.8 | -54.2 | 165 | 43.3 | 159.9 | 0.6 | 110.9 | R284 F295 D308 H309 L310 | R284-R306 HydrophobicContact CG-CG 4.17Å; F295-R306 VanDerWaalsContact CD2-C 3.43Å; R306-D308 VanDerWaalsContact C-N 3.33Å; R306-D308 WeakPolarHBondContact CB-OD1 3.44Å; R306-D308 IonicContact CZ-OD1 3.5Å; R306-D308 IonicContact CZ-OD2 2.82Å; R306-D308 IonicContact NE-OD1 3.51Å; R306-D308 PolarHBondContact NE-OD1 3.25Å; R306-D308 IonicContact NE-OD2 3.64Å; R306-D308 PolarHBondContact NE-OD2 3.12Å; R306-D308 VanDerWaalsContact NH2-CG 3.29Å; R306-D308 IonicContact NH2-OD1 3.92Å; R306-D308 PolarHBondContact NH2-OD1 2.72Å; R306-D308 IonicContact NH2-OD2 3.8Å; R306-D308 PolarHBondContact NH2-OD2 3.23Å; R306-D308 PolarHBondContact O-N 2.88Å; R306-H309 VanDerWaalsContact CD-CD2 3.41Å; R306-H309 WeakPolarHBondContact CD-CD2 3.2Å; R306-H309 WeakPolarHBondContact CD-NE2 3.29Å; R306-H309 PolarHBondContact O-N 3.31Å; R306-L310 PolarHBondContact O-N 3.37Å |
| 307 | S | 83 | Confident | 81.3 | Confident | 70 Ų | 70 | 76.2 Ų | 76.2 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.8 | -32.5 | 178.9 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | L310 S311 | S307-L310 WeakPolarHBondContact O-CB 3.15Å; S307-L310 PolarHBondContact O-N 2.74Å; S307-S311 WeakPolarHBondContact O-CB 3.39Å; S307-S311 PolarHBondContact O-N 2.85Å |
| 308 | D | 82.2 | Confident | 80.8 | Confident | 50 Ų | 50 | 80.4 Ų | 80.4 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69 | -34 | 177.5 | 67.3 | -54.5 | 0 | 0 | 0 | 112.2 | R306 S311 K312 | R306-D308 VanDerWaalsContact C-N 3.33Å; R306-D308 WeakPolarHBondContact CB-OD1 3.44Å; R306-D308 IonicContact CZ-OD1 3.5Å; R306-D308 IonicContact CZ-OD2 2.82Å; R306-D308 IonicContact NE-OD1 3.51Å; R306-D308 PolarHBondContact NE-OD1 3.25Å; R306-D308 IonicContact NE-OD2 3.64Å; R306-D308 PolarHBondContact NE-OD2 3.12Å; R306-D308 VanDerWaalsContact NH2-CG 3.29Å; R306-D308 IonicContact NH2-OD1 3.92Å; R306-D308 PolarHBondContact NH2-OD1 2.72Å; R306-D308 IonicContact NH2-OD2 3.8Å; R306-D308 PolarHBondContact NH2-OD2 3.23Å; R306-D308 PolarHBondContact O-N 2.88Å; D308-S311 PolarHBondContact O-N 2.81Å; D308-K312 WeakPolarHBondContact O-CB 3.39Å; D308-K312 WeakPolarHBondContact O-CG 3.38Å; D308-K312 PolarHBondContact O-N 3.35Å |
| 309 | H | 82.9 | Confident | 79.8 | Confident | 78 Ų | 78 | 81.2 Ų | 81.2 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 170.7 | -68.2 | -49.4 | 0 | 0 | 0 | 111.7 | F304 R306 S311 K312 H313 | F304-H309 HydrophobicContact CB-CB 4.3Å; F304-H309 HydrophobicContact CD1-CB 3.94Å; F304-H309 HydrophobicContact CG-CB 4.36Å; R306-H309 VanDerWaalsContact CD-CD2 3.41Å; R306-H309 WeakPolarHBondContact CD-CD2 3.2Å; R306-H309 WeakPolarHBondContact CD-NE2 3.29Å; R306-H309 PolarHBondContact O-N 3.31Å; H309-S311 VanDerWaalsContact C-N 3.33Å; H309-S311 PolarHBondContact O-N 2.91Å; H309-K312 PolarHBondContact O-N 3.41Å; H309-H313 VanDerWaalsContact O-CB 3.23Å; H309-H313 WeakPolarHBondContact O-CB 3.46Å; H309-H313 PolarHBondContact O-N 3.46Å |
| 310 | L | 86.6 | Confident | 78.8 | Confident | 37 Ų | 37 | 81.5 Ų | 81.5 | 19% | 0.194 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 172.5 | 172.8 | 66.2 | 0 | 0 | 0 | 111 | F295 C297 F304 R306 S307 H313 A314 | F295-L310 HydrophobicContact CB-CB 4.06Å; F295-L310 HydrophobicContact CB-CD2 3.85Å; F295-L310 HydrophobicContact CB-CG 4.48Å; F295-L310 HydrophobicContact CD1-CD2 4.47Å; C297-L310 VanDerWaalsContact CA-CD1 3.48Å; C297-L310 HydrophobicContact CB-CD1 3.68Å; F304-L310 HydrophobicContact CB-CB 4.35Å; F304-L310 HydrophobicContact CD2-CB 4.03Å; F304-L310 HydrophobicContact CD2-CD1 3.82Å; F304-L310 HydrophobicContact CE2-CD1 4.09Å; F304-L310 HydrophobicContact CG-CB 4.36Å; R306-L310 PolarHBondContact O-N 3.37Å; S307-L310 WeakPolarHBondContact O-CB 3.15Å; S307-L310 PolarHBondContact O-N 2.74Å; L310-H313 CarbonylContact O-C 3.53Å; L310-H313 WeakPolarHBondContact O-CB 3.1Å; L310-H313 PolarHBondContact O-N 3.13Å; L310-A314 WeakPolarHBondContact O-CB 3.28Å; L310-A314 PolarHBondContact O-N 3.44Å |
| 311 | S | 84.1 | Confident | 77.2 | Confident | 60 Ų | 60 | 89.2 Ų | 89.2 | 42% | 0.42 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 179.7 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | S307 D308 H309 H313 A314 R315 | S307-S311 WeakPolarHBondContact O-CB 3.39Å; S307-S311 PolarHBondContact O-N 2.85Å; D308-S311 PolarHBondContact O-N 2.81Å; H309-S311 VanDerWaalsContact C-N 3.33Å; H309-S311 PolarHBondContact O-N 2.91Å; S311-H313 VanDerWaalsContact C-N 3.28Å; S311-H313 PolarHBondContact O-N 3.32Å; S311-A314 PolarHBondContact O-N 3Å; S311-R315 WeakPolarHBondContact O-CG 3.47Å; S311-R315 PolarHBondContact O-N 3.18Å |
| 312 | K | 84.3 | Confident | 75.9 | Confident | 136 Ų | 136 | 94.4 Ų | 94.4 | 59% | 0.591 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.8 | -39.4 | 173 | -74.5 | 177 | -179.8 | -179.9 | 0 | 111.9 | D308 H309 R315 | D308-K312 WeakPolarHBondContact O-CB 3.39Å; D308-K312 WeakPolarHBondContact O-CG 3.38Å; D308-K312 PolarHBondContact O-N 3.35Å; H309-K312 PolarHBondContact O-N 3.41Å; K312-R315 WeakPolarHBondContact O-CB 3.22Å; K312-R315 PolarHBondContact O-N 2.85Å |
| 313 | H | 86.7 | Confident | 74.5 | Confident | 24 Ų | 24 | 94.8 Ų | 94.8 | 11% | 0.111 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69 | -38.8 | 175.7 | 172.9 | 58.9 | 0 | 0 | 0 | 112.5 | C300 F304 H309 L310 S311 R315 T316 H317 | C300-H313 PolarHBondContact SG-NE2 2.78Å; F304-H313 HydrophobicContact CE1-CB 4.06Å; F304-H313 HydrophobicContact CE2-CB 3.92Å; F304-H313 AromaticContact CE2-CD2 3.29Å; F304-H313 WeakPolarHBondContact CE2-CD2 3.44Å; F304-H313 AromaticContact CE2-CG 3.65Å; F304-H313 HydrophobicContact CZ-CB 3.5Å; F304-H313 AromaticContact CZ-CD2 3.37Å; F304-H313 WeakPolarHBondContact CZ-CD2 3.32Å; F304-H313 AromaticContact CZ-CG 3.26Å; F304-H313 AromaticContact CZ-ND1 3.92Å; H309-H313 VanDerWaalsContact O-CB 3.23Å; H309-H313 WeakPolarHBondContact O-CB 3.46Å; H309-H313 PolarHBondContact O-N 3.46Å; L310-H313 CarbonylContact O-C 3.53Å; L310-H313 WeakPolarHBondContact O-CB 3.1Å; L310-H313 PolarHBondContact O-N 3.13Å; S311-H313 VanDerWaalsContact C-N 3.28Å; S311-H313 PolarHBondContact O-N 3.32Å; H313-R315 PolarHBondContact O-N 3.46Å; H313-T316 PolarHBondContact ND1-OG1 3.38Å; H313-T316 WeakPolarHBondContact O-CA 3.42Å; H313-T316 WeakPolarHBondContact O-CB 3.25Å; H313-T316 PolarHBondContact O-N 2.93Å; H313-T316 PolarHBondContact O-OG1 2.9Å; H313-H317 AromaticContact CD2-NE2 3.81Å; H313-H317 AromaticContact CE1-CE1 3.82Å; H313-H317 AromaticContact CE1-NE2 3.38Å; H313-H317 PolarHBondContact CE1-NE2 3.1Å; H313-H317 AromaticContact NE2-CD2 3.88Å; H313-H317 AromaticContact NE2-CE1 3.76Å; H313-H317 AromaticContact NE2-NE2 2.98Å; H313-H317 PolarHBondContact NE2-NE2 3.46Å |
| 314 | A | 82.4 | Confident | 72.9 | Confident | 39 Ų | 39 | 97.2 Ų | 97.2 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.7 | -34.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L310 S311 T316 H317 V318 | L310-A314 WeakPolarHBondContact O-CB 3.28Å; L310-A314 PolarHBondContact O-N 3.44Å; S311-A314 PolarHBondContact O-N 3Å; A314-T316 PolarHBondContact O-N 3.22Å; A314-T316 VanDerWaalsContact O-N 3.16Å; A314-H317 PolarHBondContact O-N 2.91Å; A314-V318 PolarHBondContact O-N 3.32Å |
| 315 | R | 84 | Confident | 71.2 | Confident | 163 Ų | 163 | 97.7 Ų | 97.7 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.8 | 172.5 | -64.2 | 178.7 | -171.1 | -168.1 | -1.1 | 114.7 | S311 K312 H313 | S311-R315 WeakPolarHBondContact O-CG 3.47Å; S311-R315 PolarHBondContact O-N 3.18Å; K312-R315 WeakPolarHBondContact O-CB 3.22Å; K312-R315 PolarHBondContact O-N 2.85Å; H313-R315 PolarHBondContact O-N 3.46Å |
| 316 | T | 82.2 | Confident | 69.8 | Low | 93 Ų | 93 | 101.3 Ų | 101.3 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -16.1 | 174.8 | 65.7 | 0 | 0 | 0 | 0 | 112.7 | H313 A314 | H313-T316 PolarHBondContact ND1-OG1 3.38Å; H313-T316 WeakPolarHBondContact O-CA 3.42Å; H313-T316 WeakPolarHBondContact O-CB 3.25Å; H313-T316 PolarHBondContact O-N 2.93Å; H313-T316 PolarHBondContact O-OG1 2.9Å; A314-T316 PolarHBondContact O-N 3.22Å; A314-T316 VanDerWaalsContact O-N 3.16Å |
| 317 | H | 79.1 | Confident | 68.1 | Low | 66 Ų | 66 | 101 Ų | 101 | 31% | 0.306 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88 | -32.8 | 174.1 | -64.4 | -60.7 | 0 | 0 | 0 | 112.6 | C297 Q299 C300 H313 A314 D319 | C297-H317 VanDerWaalsContact SG-CD2 3.56Å; C297-H317 PolarHBondContact SG-NE2 3.47Å; Q299-H317 PolarHBondContact OE1-CD2 3.21Å; C300-H317 PolarHBondContact SG-NE2 3.43Å; H313-H317 AromaticContact CD2-NE2 3.81Å; H313-H317 AromaticContact CE1-CE1 3.82Å; H313-H317 AromaticContact CE1-NE2 3.38Å; H313-H317 PolarHBondContact CE1-NE2 3.1Å; H313-H317 AromaticContact NE2-CD2 3.88Å; H313-H317 AromaticContact NE2-CE1 3.76Å; H313-H317 AromaticContact NE2-NE2 2.98Å; H313-H317 PolarHBondContact NE2-NE2 3.46Å; A314-H317 PolarHBondContact O-N 2.91Å; H317-D319 VanDerWaalsContact C-N 3.32Å; H317-D319 PolarHBondContact O-N 2.84Å; H317-D319 VanDerWaalsContact O-N 3.14Å |
| 318 | V | 73.8 | Confident | 66.1 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -81.4 | 87.6 | 166.4 | -74.6 | 0 | 0 | 0 | 0 | 107.3 | A314 I320 | A314-V318 PolarHBondContact O-N 3.32Å; V318-I320 PolarHBondContact O-N 3.15Å; V318-I320 VanDerWaalsContact O-N 3.1Å |
| 319 | D | 59.1 | Low | 64.3 | Low | 127 Ų | 127 | 105.9 Ų | 105.9 | 68% | 0.679 | 60% | 0.6 | S | S | * | * | trans | -35.8 | 119.1 | 174.6 | -173.2 | 42.2 | 0 | 0 | 0 | 110 | H317 R321 | H317-D319 VanDerWaalsContact C-N 3.32Å; H317-D319 PolarHBondContact O-N 2.84Å; H317-D319 VanDerWaalsContact O-N 3.14Å; D319-R321 PolarHBondContact O-N 2.75Å | ||
| 320 | I | 56.6 | Low | 62.3 | Low | 135 Ų | 135 | 111.1 Ų | 111.1 | 69% | 0.692 | 62% | 0.624 | S | S | * | * | trans | -68.8 | 85.4 | -170.9 | -58.9 | 169.9 | 0 | 0 | 0 | 107.7 | V318 | V318-I320 PolarHBondContact O-N 3.15Å; V318-I320 VanDerWaalsContact O-N 3.1Å | ||
| 321 | R | 48 | Very low | 60.4 | Low | 214 Ų | 214 | 113.6 Ų | 113.6 | 81% | 0.808 | 65% | 0.65 | S | S | * | * | trans | -112 | 53.3 | 156.5 | -68 | -168.2 | 179.4 | -174.7 | -1.4 | 109.4 | D319 | D319-R321 PolarHBondContact O-N 2.75Š| ||
| 322 | L | 53.6 | Low | 58.6 | Low | 160 Ų | 160 | 117.4 Ų | 117.4 | 84% | 0.838 | 67% | 0.665 | S | S | * | * | trans | -111.8 | 83.1 | 155.5 | -88.2 | 149.8 | 0 | 0 | 0 | 106.3 | K324 | L322-K324 PolarHBondContact O-N 2.91Š| ||
| 323 | V | 50.1 | Low | 57.1 | Low | 133 Ų | 133 | 115.7 Ų | 115.7 | 81% | 0.806 | 67% | 0.671 | S | S | * | * | trans | -43.8 | 109 | 166.8 | 175 | 0 | 0 | 0 | 0 | 107.5 | G325 | V323-G325 PolarHBondContact O-N 2.89Š| ||
| 324 | K | 45.4 | Very low | 55.2 | Low | 197 Ų | 197 | 119 Ų | 119 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | trans | -76.8 | 72.5 | 164.1 | -167.3 | 170 | -175.4 | 179.6 | 0 | 106.9 | L322 S326 | L322-K324 PolarHBondContact O-N 2.91Å; K324-S326 PolarHBondContact O-N 2.81Å; K324-S326 VanDerWaalsContact O-N 3.1Å | ||
| 325 | G | 39.9 | Very low | 53.6 | Low | 55 Ų | 55 | 122.7 Ų | 122.7 | 57% | 0.567 | 73% | 0.725 | S | S | * | * | trans | -72.1 | 94.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | V323 G327 | V323-G325 PolarHBondContact O-N 2.89Å; G325-G327 PolarHBondContact O-N 2.93Å | ||
| 326 | S | 46.4 | Very low | 51.6 | Low | 115 Ų | 115 | 125.3 Ų | 125.3 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -72 | 106.3 | 156 | -53.3 | 0 | 0 | 0 | 0 | 106.6 | K324 | K324-S326 PolarHBondContact O-N 2.81Å; K324-S326 VanDerWaalsContact O-N 3.1Å | ||
| 327 | G | 39.3 | Very low | 50.2 | Low | 76 Ų | 76 | 129.4 Ų | 129.4 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 113.2 | 128.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G325 | G325-G327 PolarHBondContact O-N 2.93Š| ||
| 328 | G | 41.5 | Very low | 48.8 | Very low | 80 Ų | 80 | 132.6 Ų | 132.6 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 147.8 | 104.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 329 | T | 43.7 | Very low | 47.5 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | trans | -63.6 | 165.3 | -179.5 | 41.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 330 | Q | 40.8 | Very low | 46.8 | Very low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -34 | 167.4 | 164.4 | -79 | 169.7 | -27 | 0 | 0 | 116.2 | ||||
| 331 | A | 48.1 | Very low | 46.3 | Very low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | 94.3 | 131.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 332 | D | 46.1 | Very low | 46.1 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | cis | -176.3 | 168 | 7.3 | -130.7 | -69 | 0 | 0 | 0 | 106.8 | ||||
| 333 | S | 51.5 | Low | 45.6 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | 65.7 | 102.6 | 151 | -53.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 334 | A | 47.6 | Very low | 45.3 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | 90.3 | 135.6 | 80.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 335 | S | 49.8 | Very low | 45.3 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 90.3 | 96.4 | 154.3 | -52.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 336 | R | 41.7 | Very low | 45.8 | Very low | 218 Ų | 218 | 128 Ų | 128 | 82% | 0.823 | 83% | 0.826 | S | S | * | * | trans | -69.6 | 162 | 147.5 | -72.8 | 172.6 | 95 | -108.2 | 11.9 | 110.2 | ||||
| 337 | P | 52.8 | Low | 45.7 | Very low | 178 Ų | 178 | 129.2 Ų | 129.2 | 100% | 1.156 | 83% | 0.827 | S | S | * | * | -81.3 | 0 | 126.7 | 31.6 | -28.4 | 0 | 0 | 0 | 111.3 |
Retrieved 337 of 337 residues in 373.9 ms
(Link to these results)