| 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 | 50.8 | Low | 52.2 | Low | 236 Ų | 236 | 141.6 Ų | 141.6 | 100% | 1.163 | 82% | 0.824 | S | S | * | * | 0 | 86.8 | 0 | -69.3 | -81 | 121.9 | 0 | 0 | 107.9 | |||||
| 2 | C | 38.7 | Very low | 53.2 | Low | 135 Ų | 135 | 142.8 Ų | 142.8 | 91% | 0.912 | 82% | 0.822 | S | S | * | * | trans | -144.8 | 89.2 | 168.3 | -73.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | E | 56.5 | Low | 54.1 | Low | 202 Ų | 202 | 138.6 Ų | 138.6 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | -85.3 | 125.9 | 168.9 | -65.7 | -163.6 | 167.7 | 0 | 0 | 108.9 | ||||
| 4 | G | 50.3 | Low | 55.1 | Low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | trans | -134.6 | 127.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | S6 | G4-S6 PolarHBondContact O-N 3.25Š| ||
| 5 | P | 47.4 | Very low | 56 | Low | 122 Ų | 122 | 129.2 Ų | 129.2 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | trans | -74.2 | 119 | -169.5 | 28.3 | -32.6 | 0 | 0 | 0 | 111.2 | R7 | P5-R7 PolarHBondContact O-N 3.3Å; P5-R7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | S | 45.6 | Very low | 56.6 | Low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -70.7 | 101.5 | 170.2 | -66.6 | 0 | 0 | 0 | 0 | 109.5 | G4 I8 | G4-S6 PolarHBondContact O-N 3.25Å; S6-I8 VanDerWaalsContact C-N 3.26Å; S6-I8 PolarHBondContact O-N 2.89Å | ||
| 7 | R | 54.4 | Low | 57.3 | Low | 246 Ų | 246 | 125.5 Ų | 125.5 | 93% | 0.928 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 57.8 | 178.2 | -74.5 | 178.9 | 148.6 | -171.8 | -4 | 113 | P5 | P5-R7 PolarHBondContact O-N 3.3Å; P5-R7 VanDerWaalsContact O-N 3.15Å |
| 8 | I | 53.6 | Low | 57.7 | Low | 158 Ų | 158 | 126.1 Ų | 126.1 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 1.5 | 178.1 | -5.1 | 172.6 | 0 | 0 | 0 | 114.5 | S6 | S6-I8 VanDerWaalsContact C-N 3.26Å; S6-I8 PolarHBondContact O-N 2.89Å |
| 9 | S | 50.4 | Low | 57.7 | Low | 115 Ų | 115 | 122.2 Ų | 122.2 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -101.9 | 97 | 171.7 | -169.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 10 | G | 60 | Low | 58.1 | Low | 51 Ų | 51 | 120.4 Ų | 120.4 | 53% | 0.526 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 158.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | I12 | G10-I12 PolarHBondContact O-N 3.49Š|
| 11 | P | 66.3 | Low | 58.4 | Low | 127 Ų | 127 | 119.7 Ų | 119.7 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 137 | 178 | 23 | -32.2 | 0 | 0 | 0 | 110.5 | ||
| 12 | I | 64.9 | Low | 59.2 | Low | 156 Ų | 156 | 117.6 Ų | 117.6 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 124.1 | 174.5 | -61.5 | 170.4 | 0 | 0 | 0 | 107 | G10 | G10-I12 PolarHBondContact O-N 3.49Š|
| 13 | P | 64.4 | Low | 60.6 | Low | 88 Ų | 88 | 116.6 Ų | 116.6 | 57% | 0.571 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -66 | 141.4 | -176.5 | 30.5 | -36.4 | 0 | 0 | 0 | 109.4 | Y23 | P13-Y23 WeakPolarHBondContact CB-OH 3.46Š|
| 14 | P | 68.1 | Low | 61 | Low | 51 Ų | 51 | 115.8 Ų | 115.8 | 33% | 0.331 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 149.6 | -171.4 | 26.5 | -34.6 | 0 | 0 | 0 | 111.4 | C19 Y23 | P14-C19 HydrophobicContact CB-CB 4.42Å; P14-C19 HydrophobicContact CG-CB 4.22Å; P14-Y23 WeakPolarHBondContact O-CE2 3.28Å; P14-Y23 PolarHBondContact O-OH 2.95Å |
| 15 | D | 68.4 | Low | 61.8 | Low | 85 Ų | 85 | 122.4 Ų | 122.4 | 46% | 0.455 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -52.1 | 127.3 | 179.3 | -169 | -38.6 | 0 | 0 | 0 | 110.6 | T17 L18 C19 | D15-T17 PolarHBondContact O-N 2.95Å; D15-T17 WeakPolarHBondContact OD1-CB 3.21Å; D15-T17 PolarHBondContact OD1-N 3.38Å; D15-T17 PolarHBondContact OD1-OG1 3.14Å; D15-L18 HydrophobicContact CB-CD1 4.11Å; D15-L18 HydrophobicContact CB-CG 4.21Å; D15-L18 PolarHBondContact O-N 3.31Å; D15-C19 PolarHBondContact O-N 2.91Å |
| 16 | P | 65.6 | Low | 62.6 | Low | 84 Ų | 84 | 120.6 Ų | 120.6 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -16.7 | -177.8 | 24.8 | -36.2 | 0 | 0 | 0 | 113.8 | Y23 | P16-Y23 HydrophobicContact CB-CD2 4.18Å; P16-Y23 HydrophobicContact CB-CE2 4.12Å |
| 17 | T | 69 | Low | 63.2 | Low | 111 Ų | 111 | 119.6 Ų | 119.6 | 68% | 0.681 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -23.5 | 174.9 | 60 | 0 | 0 | 0 | 0 | 113.3 | D15 | D15-T17 PolarHBondContact O-N 2.95Å; D15-T17 WeakPolarHBondContact OD1-CB 3.21Å; D15-T17 PolarHBondContact OD1-N 3.38Å; D15-T17 PolarHBondContact OD1-OG1 3.14Å |
| 18 | L | 64.4 | Low | 63.6 | Low | 136 Ų | 136 | 113.2 Ų | 113.2 | 71% | 0.712 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -28.7 | -176.1 | -61.4 | 177.5 | 0 | 0 | 0 | 112.9 | D15 | D15-L18 HydrophobicContact CB-CD1 4.11Å; D15-L18 HydrophobicContact CB-CG 4.21Å; D15-L18 PolarHBondContact O-N 3.31Å |
| 19 | C | 57.8 | Low | 63.6 | Low | 53 Ų | 53 | 108.4 Ų | 108.4 | 36% | 0.358 | 61% | 0.614 | S | S | . | * | trans | -134.1 | 71.1 | -177.7 | -69.3 | 0 | 0 | 0 | 0 | 112.7 | P14 D15 D21 Y22 | P14-C19 HydrophobicContact CB-CB 4.42Å; P14-C19 HydrophobicContact CG-CB 4.22Å; D15-C19 PolarHBondContact O-N 2.91Å; C19-D21 VanDerWaalsContact C-N 3.27Å; C19-D21 PolarHBondContact O-N 2.99Å; C19-Y22 PolarHBondContact O-N 3.41Å | ||
| 20 | P | 65.4 | Low | 63.8 | Low | 85 Ų | 85 | 110.6 Ų | 110.6 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -63.8 | -28.6 | -174.9 | 22.7 | -32 | 0 | 0 | 0 | 113.9 | Y22 Y23 R24 | P20-Y22 VanDerWaalsContact C-N 3.32Å; P20-Y22 PolarHBondContact O-N 2.96Å; P20-Y23 PolarHBondContact O-N 3.41Å; P20-R24 PolarHBondContact O-N 2.93Å |
| 21 | D | 64.9 | Low | 63.4 | Low | 107 Ų | 107 | 111.8 Ų | 111.8 | 57% | 0.572 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -71.9 | -23.9 | -179.4 | -70.3 | -47.7 | 0 | 0 | 0 | 113.5 | C19 Y23 R24 | C19-D21 VanDerWaalsContact C-N 3.27Å; C19-D21 PolarHBondContact O-N 2.99Å; D21-Y23 PolarHBondContact O-N 3.43Å; D21-R24 WeakPolarHBondContact O-CB 3.42Å; D21-R24 PolarHBondContact O-N 3.06Å; D21-R24 IonicContact OD1-CZ 3.6Å; D21-R24 IonicContact OD1-NE 3.2Å; D21-R24 IonicContact OD1-NH1 3.08Å; D21-R24 PolarHBondContact OD1-NH1 2.96Å |
| 22 | Y | 66.3 | Low | 62.8 | Low | 191 Ų | 191 | 117.1 Ų | 117.1 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -70.3 | -22.8 | 179.3 | -131.8 | -92.9 | 0 | 0 | 0 | 112.8 | C19 P20 | C19-Y22 PolarHBondContact O-N 3.41Å; P20-Y22 VanDerWaalsContact C-N 3.32Å; P20-Y22 PolarHBondContact O-N 2.96Å |
| 23 | Y | 68.2 | Low | 61.9 | Low | 115 Ų | 115 | 118 Ų | 118 | 45% | 0.451 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -105.4 | 2.3 | 176.4 | -63.3 | -81.4 | 0 | 0 | 0 | 112.8 | P13 P14 P16 P20 D21 R25 | P13-Y23 WeakPolarHBondContact CB-OH 3.46Å; P14-Y23 WeakPolarHBondContact O-CE2 3.28Å; P14-Y23 PolarHBondContact O-OH 2.95Å; P16-Y23 HydrophobicContact CB-CD2 4.18Å; P16-Y23 HydrophobicContact CB-CE2 4.12Å; P20-Y23 PolarHBondContact O-N 3.41Å; D21-Y23 PolarHBondContact O-N 3.43Å; Y23-R25 PolarHBondContact O-N 3.21Å; Y23-R25 VanDerWaalsContact O-N 3.16Å |
| 24 | R | 66.1 | Low | 61.2 | Low | 184 Ų | 184 | 122.2 Ų | 122.2 | 69% | 0.694 | 64% | 0.644 | S | S | * | * | trans | -73 | 109.9 | -179.4 | -164.8 | 176 | -141.8 | 165.5 | -0.6 | 109.5 | P20 D21 | P20-R24 PolarHBondContact O-N 2.93Å; D21-R24 WeakPolarHBondContact O-CB 3.42Å; D21-R24 PolarHBondContact O-N 3.06Å; D21-R24 IonicContact OD1-CZ 3.6Å; D21-R24 IonicContact OD1-NE 3.2Å; D21-R24 IonicContact OD1-NH1 3.08Å; D21-R24 PolarHBondContact OD1-NH1 2.96Å | ||
| 25 | R | 66 | Low | 60 | Low | 200 Ų | 200 | 123.3 Ų | 123.3 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | trans | -61.6 | 126.6 | 178.6 | -174.4 | 175.8 | -71.4 | -170.3 | -0.7 | 109.7 | Y23 A29 | Y23-R25 PolarHBondContact O-N 3.21Å; Y23-R25 VanDerWaalsContact O-N 3.16Å; R25-A29 HydrophobicContact CG-CB 4.05Å | ||
| 26 | P | 64.6 | Low | 58.7 | Low | 84 Ų | 84 | 127.2 Ų | 127.2 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | trans | -65.2 | 141.6 | 178.3 | 23.7 | -31.2 | 0 | 0 | 0 | 110.9 | S28 A29 | P26-S28 PolarHBondContact O-N 2.92Å; P26-A29 PolarHBondContact O-N 2.77Å | ||
| 27 | A | 57.9 | Low | 57.5 | Low | 85 Ų | 85 | 127.6 Ų | 127.6 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -58.1 | -20.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | A29 Q30 | A27-A29 PolarHBondContact O-N 2.98Å; A27-Q30 PolarHBondContact O-N 3.28Å |
| 28 | S | 62.8 | Low | 56.2 | Low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -68.5 | -15.1 | 175.2 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | P26 | P26-S28 PolarHBondContact O-N 2.92Š|
| 29 | A | 55 | Low | 55.1 | Low | 57 Ų | 57 | 133 Ų | 133 | 47% | 0.471 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -95.3 | 3.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R25 P26 A27 | R25-A29 HydrophobicContact CG-CB 4.05Å; P26-A29 PolarHBondContact O-N 2.77Å; A27-A29 PolarHBondContact O-N 2.98Å |
| 30 | Q | 54.7 | Low | 54.2 | Low | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -86.1 | -4.8 | -175.2 | -155.7 | 169 | -14.4 | 0 | 0 | 114 | A27 R32 | A27-Q30 PolarHBondContact O-N 3.28Å; Q30-R32 PolarHBondContact O-N 3.49Å | ||
| 31 | G | 50.9 | Low | 52.8 | Low | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 23 | -166.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 32 | R | 52.7 | Low | 51.4 | Low | 238 Ų | 238 | 142.2 Ų | 142.2 | 90% | 0.898 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.8 | 10.4 | -175.8 | -138.7 | -174.7 | -178.1 | -169.5 | 0.9 | 117.5 | Q30 | Q30-R32 PolarHBondContact O-N 3.49Š|
| 33 | L | 47.3 | Very low | 50 | Low | 174 Ų | 174 | 140 Ų | 140 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -140.5 | 51.4 | 173.7 | -80.5 | 170.4 | 0 | 0 | 0 | 111.2 | ||
| 34 | E | 50.2 | Low | 48.3 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -130 | 130.5 | 155.6 | -75.6 | -170.5 | 165.7 | 0 | 0 | 107.6 | ||
| 35 | G | 41.1 | Very low | 46.7 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | -59.9 | 147.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | A37 | G35-A37 VanDerWaalsContact C-N 3.28Å; G35-A37 PolarHBondContact O-N 3.39Å | ||
| 36 | N | 42.7 | Very low | 45.2 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -59.3 | 88 | 169 | -71 | -39 | 0 | 0 | 0 | 110.3 | L38 | N36-L38 PolarHBondContact O-N 3.38Š| ||
| 37 | A | 39.9 | Very low | 43.5 | Very low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -84.4 | 97.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107 | G35 K39 | G35-A37 VanDerWaalsContact C-N 3.28Å; G35-A37 PolarHBondContact O-N 3.39Å; A37-K39 PolarHBondContact O-N 3.43Å | ||
| 38 | L | 42.3 | Very low | 42.2 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -57.1 | 102.2 | 170.8 | -68.7 | 165.4 | 0 | 0 | 0 | 109 | N36 | N36-L38 PolarHBondContact O-N 3.38Š| ||
| 39 | K | 39.9 | Very low | 41.4 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -86.8 | 106.8 | 158.9 | -90.1 | -175.9 | 174.6 | -179.2 | 0 | 107.9 | A37 | A37-K39 PolarHBondContact O-N 3.43Š| ||
| 40 | L | 39.6 | Very low | 40.3 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -71 | 115.2 | 162.2 | -143.1 | 90 | 0 | 0 | 0 | 106.3 | L42 | L40-L42 HydrophobicContact CD2-CD1 4.36Š| ||
| 41 | D | 36.1 | Very low | 40 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -129.4 | 124.2 | 160.8 | -87 | -33.3 | 0 | 0 | 0 | 108.9 | ||||
| 42 | L | 35.3 | Very low | 39.4 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 70% | 0.702 | 82% | 0.82 | S | S | * | * | trans | -110.8 | 130.6 | -174.3 | -120.4 | 144.2 | 0 | 0 | 0 | 106.6 | L40 | L40-L42 HydrophobicContact CD2-CD1 4.36Š| ||
| 43 | L | 37.6 | Very low | 39.2 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | 100.8 | 134.4 | 149.2 | -56 | 174 | 0 | 0 | 0 | 120.9 | ||||
| 44 | T | 30.9 | Very low | 38.9 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 91.3 | 124.9 | 146.1 | -34.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 45 | S | 32.8 | Very low | 38.9 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | cis | -165.7 | 158.9 | -7.8 | -87.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 46 | D | 34.2 | Very low | 39.8 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | 20.1 | 129.5 | 152 | -74.8 | -34.5 | 0 | 0 | 0 | 121.4 | ||||
| 47 | R | 30.2 | Very low | 40.6 | Very low | 239 Ų | 239 | 134.8 Ų | 134.8 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | 178.9 | 129.9 | 103.8 | -173.2 | 157.5 | -179.4 | 162.8 | -1 | 113.7 | |||||
| 48 | A | 30 | Very low | 41.7 | Very low | 90 Ų | 90 | 142.1 Ų | 142.1 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | 64.8 | 129.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 49 | L | 46 | Very low | 43 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | -60.9 | 141.5 | 167.7 | -61.6 | 162.1 | 0 | 0 | 0 | 111.2 | ||||
| 50 | D | 32.5 | Very low | 44.3 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | -163.4 | 131.7 | 127.7 | -92.2 | -27.5 | 0 | 0 | 0 | 111.1 | |||||
| 51 | A | 48.1 | Very low | 45.7 | Very low | 100 Ų | 100 | 129 Ų | 129 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -80.2 | 124.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 52 | T | 38.6 | Very low | 47 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | trans | -140.5 | 125.4 | 156.4 | 23.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 53 | A | 47.2 | Very low | 48.7 | Very low | 91 Ų | 91 | 119.6 Ų | 119.6 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | trans | -61.7 | 138.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | C55 | A53-C55 PolarHBondContact O-N 3.28Å; A53-C55 VanDerWaalsContact O-N 3.1Å | ||
| 54 | P | 41 | Very low | 50.2 | Low | 132 Ų | 132 | 120.6 Ų | 120.6 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | trans | -71.3 | 113.2 | 179.9 | 27.7 | -30.7 | 0 | 0 | 0 | 109.3 | G56 | P54-G56 PolarHBondContact O-N 3.4Š| ||
| 55 | C | 51.3 | Low | 51.9 | Low | 120 Ų | 120 | 121.5 Ų | 121.5 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 126.8 | 164.9 | -75.9 | 0 | 0 | 0 | 0 | 109.3 | A53 | A53-C55 PolarHBondContact O-N 3.28Å; A53-C55 VanDerWaalsContact O-N 3.1Å |
| 56 | G | 59.7 | Low | 53.6 | Low | 54 Ų | 54 | 122.9 Ų | 122.9 | 56% | 0.557 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 160 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P54 R58 | P54-G56 PolarHBondContact O-N 3.4Å; G56-R58 PolarHBondContact O-N 2.99Å |
| 57 | P | 59.2 | Low | 55.3 | Low | 119 Ų | 119 | 119.5 Ų | 119.5 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 131.5 | -173.2 | 24.6 | -32.9 | 0 | 0 | 0 | 111.2 | I59 | P57-I59 PolarHBondContact O-N 2.89Å; P57-I59 VanDerWaalsContact O-N 3.11Å |
| 58 | R | 64.3 | Low | 57.1 | Low | 246 Ų | 246 | 112.2 Ų | 112.2 | 93% | 0.928 | 67% | 0.669 | S | S | * | * | trans | -73.3 | 101.9 | 175.9 | -65.4 | -172.5 | -165.1 | -164.1 | 4.9 | 109.4 | G56 | G56-R58 PolarHBondContact O-N 2.99Š| ||
| 59 | I | 68.4 | Low | 59 | Low | 74 Ų | 74 | 117.7 Ų | 117.7 | 38% | 0.379 | 67% | 0.671 | S | S | . | * | trans | -82.1 | 117.5 | 177.2 | -58.3 | 174.9 | 0 | 0 | 0 | 108.7 | P57 A63 R64 L67 | P57-I59 PolarHBondContact O-N 2.89Å; P57-I59 VanDerWaalsContact O-N 3.11Å; I59-A63 HydrophobicContact CG2-CB 3.47Å; I59-A63 VanDerWaalsContact CG2-CB 3.47Å; I59-R64 HydrophobicContact CB-CG 4.38Å; I59-R64 HydrophobicContact CG2-CG 3.73Å; I59-L67 HydrophobicContact CD1-CD2 4.31Å | ||
| 60 | G | 67.9 | Low | 59.8 | Low | 38 Ų | 38 | 112.9 Ų | 112.9 | 39% | 0.392 | 66% | 0.661 | S | S | . | * | trans | -63.8 | 161.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | G62 A63 R64 | G60-G62 VanDerWaalsContact C-N 3.35Å; G60-G62 PolarHBondContact O-N 3.34Å; G60-A63 PolarHBondContact O-N 3.4Å; G60-R64 PolarHBondContact O-N 3.27Å | ||
| 61 | P | 67.6 | Low | 61.4 | Low | 122 Ų | 122 | 114.2 Ų | 114.2 | 79% | 0.792 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -56.2 | -41.9 | -170.3 | 17.7 | -29.2 | 0 | 0 | 0 | 113.7 | A63 R64 | P61-A63 PolarHBondContact O-N 2.87Å; P61-R64 PolarHBondContact O-N 3.26Å |
| 62 | G | 64.6 | Low | 62.1 | Low | 42 Ų | 42 | 116.1 Ų | 116.1 | 43% | 0.433 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -71.1 | -26.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G60 R64 E65 I66 | G60-G62 VanDerWaalsContact C-N 3.35Å; G60-G62 PolarHBondContact O-N 3.34Å; G62-R64 VanDerWaalsContact C-N 3.31Å; G62-R64 PolarHBondContact O-N 3.47Å; G62-E65 PolarHBondContact O-N 3.2Å; G62-I66 PolarHBondContact O-N 2.72Å |
| 63 | A | 69.8 | Low | 63.2 | Low | 48 Ų | 48 | 111.3 Ų | 111.3 | 40% | 0.397 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -76.4 | -20.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I59 G60 P61 L67 | I59-A63 HydrophobicContact CG2-CB 3.47Å; I59-A63 VanDerWaalsContact CG2-CB 3.47Å; G60-A63 PolarHBondContact O-N 3.4Å; P61-A63 PolarHBondContact O-N 2.87Å; A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 PolarHBondContact O-N 2.84Å; A63-L67 VanDerWaalsContact O-N 3.15Å |
| 64 | R | 69.1 | Low | 63.8 | Low | 167 Ų | 167 | 113.4 Ų | 113.4 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68 | -39.2 | 171.1 | -65.9 | -175.1 | 175.8 | -165.9 | -3.8 | 111.6 | I59 G60 P61 G62 L67 E68 | I59-R64 HydrophobicContact CB-CG 4.38Å; I59-R64 HydrophobicContact CG2-CG 3.73Å; G60-R64 PolarHBondContact O-N 3.27Å; P61-R64 PolarHBondContact O-N 3.26Å; G62-R64 VanDerWaalsContact C-N 3.31Å; G62-R64 PolarHBondContact O-N 3.47Å; R64-L67 PolarHBondContact O-N 3.03Å; R64-E68 WeakPolarHBondContact O-CB 3.45Å; R64-E68 WeakPolarHBondContact O-CG 3.33Å; R64-E68 PolarHBondContact O-N 2.97Å |
| 65 | E | 67.1 | Low | 64.6 | Low | 148 Ų | 148 | 109.3 Ų | 109.3 | 69% | 0.692 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.6 | -39 | -179.7 | -146.7 | 172.8 | -159.6 | 0 | 0 | 111.6 | G62 E68 R69 | G62-E65 PolarHBondContact O-N 3.2Å; E65-E68 PolarHBondContact O-N 3.23Å; E65-R69 VanDerWaalsContact O-CB 3.31Å; E65-R69 WeakPolarHBondContact O-CB 3.48Å; E65-R69 PolarHBondContact O-N 2.94Å |
| 66 | I | 67.9 | Low | 64.7 | Low | 126 Ų | 126 | 107.5 Ų | 107.5 | 65% | 0.646 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.4 | -40.2 | 175.2 | -61.2 | 168.8 | 0 | 0 | 0 | 111.2 | G62 R69 G70 | G62-I66 PolarHBondContact O-N 2.72Å; I66-R69 PolarHBondContact O-N 3.01Å; I66-G70 PolarHBondContact O-N 2.97Å |
| 67 | L | 70 | Confident | 64.6 | Low | 88 Ų | 88 | 108.9 Ų | 108.9 | 46% | 0.461 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.7 | -43.7 | 175.9 | -174.5 | 74.8 | 0 | 0 | 0 | 111.8 | I59 A63 R64 G70 R71 | I59-L67 HydrophobicContact CD1-CD2 4.31Å; A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 PolarHBondContact O-N 2.84Å; A63-L67 VanDerWaalsContact O-N 3.15Å; R64-L67 PolarHBondContact O-N 3.03Å; L67-G70 PolarHBondContact O-N 3.31Å; L67-R71 WeakPolarHBondContact O-CG 3.24Å; L67-R71 PolarHBondContact O-N 3.12Å |
| 68 | E | 69.4 | Low | 64.5 | Low | 85 Ų | 85 | 109 Ų | 109 | 40% | 0.397 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.8 | -43.2 | 175.2 | -81.1 | -77 | 126.5 | 0 | 0 | 111.3 | R64 E65 R71 R72 | R64-E68 WeakPolarHBondContact O-CB 3.45Å; R64-E68 WeakPolarHBondContact O-CG 3.33Å; R64-E68 PolarHBondContact O-N 2.97Å; E65-E68 PolarHBondContact O-N 3.23Å; E68-R71 PolarHBondContact O-N 3.36Å; E68-R72 PolarHBondContact O-N 3.45Å; E68-R72 IonicContact OE2-CZ 3.81Å; E68-R72 IonicContact OE2-NH1 3.07Å; E68-R72 PolarHBondContact OE2-NH1 2.94Å; E68-R72 IonicContact OE2-NH2 2.8Å; E68-R72 PolarHBondContact OE2-NH2 3.3Å |
| 69 | R | 68.4 | Low | 64.1 | Low | 206 Ų | 206 | 100.9 Ų | 100.9 | 78% | 0.777 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.5 | -37.4 | 177.5 | -160.6 | 174.6 | -174.6 | -175.9 | 2 | 112.3 | E65 I66 R72 G73 | E65-R69 VanDerWaalsContact O-CB 3.31Å; E65-R69 WeakPolarHBondContact O-CB 3.48Å; E65-R69 PolarHBondContact O-N 2.94Å; I66-R69 PolarHBondContact O-N 3.01Å; R69-R72 PolarHBondContact O-N 3.45Å; R69-G73 PolarHBondContact O-N 2.99Å |
| 70 | G | 64.4 | Low | 63.6 | Low | 63 Ų | 63 | 104.7 Ų | 104.7 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.8 | -30.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I66 L67 | I66-G70 PolarHBondContact O-N 2.97Å; L67-G70 PolarHBondContact O-N 3.31Å |
| 71 | R | 65.5 | Low | 63 | Low | 193 Ų | 193 | 109.8 Ų | 109.8 | 73% | 0.728 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.6 | -32.7 | 175.6 | -79.9 | 177.3 | 174 | -119.8 | 0.8 | 113.4 | L67 E68 | L67-R71 WeakPolarHBondContact O-CG 3.24Å; L67-R71 PolarHBondContact O-N 3.12Å; E68-R71 PolarHBondContact O-N 3.36Å |
| 72 | R | 63.1 | Low | 62.4 | Low | 139 Ų | 139 | 111 Ų | 111 | 53% | 0.525 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -81.5 | -17.1 | -179.9 | -71.7 | -164.7 | -103.1 | -73.1 | 0.7 | 114.1 | E68 R69 D76 | E68-R72 PolarHBondContact O-N 3.45Å; E68-R72 IonicContact OE2-CZ 3.81Å; E68-R72 IonicContact OE2-NH1 3.07Å; E68-R72 PolarHBondContact OE2-NH1 2.94Å; E68-R72 IonicContact OE2-NH2 2.8Å; E68-R72 PolarHBondContact OE2-NH2 3.3Å; R69-R72 PolarHBondContact O-N 3.45Å; R72-D76 WeakPolarHBondContact O-CB 3.47Å |
| 73 | G | 60.8 | Low | 61.9 | Low | 36 Ų | 36 | 112.1 Ų | 112.1 | 37% | 0.371 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | 66.4 | 150.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R69 G75 D76 | R69-G73 PolarHBondContact O-N 2.99Å; G73-G75 PolarHBondContact O-N 2.81Å; G73-D76 PolarHBondContact O-N 3.02Å |
| 74 | V | 60.6 | Low | 60.9 | Low | 136 Ų | 136 | 114.3 Ų | 114.3 | 82% | 0.824 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.3 | -21.7 | -174 | -179.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 75 | G | 57 | Low | 60 | Low | 46 Ų | 46 | 111.9 Ų | 111.9 | 47% | 0.474 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.4 | -29.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G73 L78 L79 | G73-G75 PolarHBondContact O-N 2.81Å; G75-L78 PolarHBondContact O-N 3.33Å; G75-L79 WeakPolarHBondContact O-CD1 3.34Å; G75-L79 WeakPolarHBondContact O-CG 3.4Å; G75-L79 PolarHBondContact O-N 3.11Å |
| 76 | D | 53.1 | Low | 59.1 | Low | 82 Ų | 82 | 112.2 Ų | 112.2 | 44% | 0.439 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.6 | -32.7 | -175.4 | -154.3 | 36.2 | 0 | 0 | 0 | 111.6 | R72 G73 Q80 | R72-D76 WeakPolarHBondContact O-CB 3.47Å; G73-D76 PolarHBondContact O-N 3.02Å; D76-Q80 PolarHBondContact O-N 3.25Å |
| 77 | V | 58.2 | Low | 57.8 | Low | 83 Ų | 83 | 109 Ų | 109 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.1 | -33.7 | 175.8 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | L81 | V77-L81 PolarHBondContact O-N 3.24Å |
| 78 | L | 57.2 | Low | 57 | Low | 122 Ų | 122 | 111.9 Ų | 111.9 | 64% | 0.639 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.3 | -39.1 | 179.5 | -153.9 | 78.2 | 0 | 0 | 0 | 111.5 | G75 Q80 L81 E82 | G75-L78 PolarHBondContact O-N 3.33Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.24Å; L78-L81 PolarHBondContact O-N 3.48Å; L78-E82 PolarHBondContact O-N 3.12Å |
| 79 | L | 56 | Low | 55.9 | Low | 75 Ų | 75 | 111.3 Ų | 111.3 | 39% | 0.393 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.9 | -28.2 | 176.9 | -70.9 | 164.7 | 0 | 0 | 0 | 112.9 | G75 E82 G83 I84 | G75-L79 WeakPolarHBondContact O-CD1 3.34Å; G75-L79 WeakPolarHBondContact O-CG 3.4Å; G75-L79 PolarHBondContact O-N 3.11Å; L79-E82 PolarHBondContact O-N 3.02Å; L79-G83 PolarHBondContact O-N 3.33Å; L79-I84 PolarHBondContact O-N 3.22Å |
| 80 | Q | 57.8 | Low | 55 | Low | 153 Ų | 153 | 106 Ų | 106 | 72% | 0.715 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.8 | -26.7 | 177.4 | -151.2 | 157.3 | 48.5 | 0 | 0 | 112.6 | D76 L78 | D76-Q80 PolarHBondContact O-N 3.25Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.24Å |
| 81 | L | 55.9 | Low | 54.3 | Low | 145 Ų | 145 | 107.8 Ų | 107.8 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.5 | -24.2 | 173.6 | -79.9 | 154.5 | 0 | 0 | 0 | 113 | V77 L78 | V77-L81 PolarHBondContact O-N 3.24Å; L78-L81 PolarHBondContact O-N 3.48Å |
| 82 | E | 54.8 | Low | 53.7 | Low | 148 Ų | 148 | 106.5 Ų | 106.5 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 4 | 173.2 | -86.8 | -178.5 | 156.3 | 0 | 0 | 113.9 | L78 L79 I84 | L78-E82 PolarHBondContact O-N 3.12Å; L79-E82 PolarHBondContact O-N 3.02Å; E82-I84 PolarHBondContact O-N 3.42Å |
| 83 | G | 53.4 | Low | 53.4 | Low | 66 Ų | 66 | 108.6 Ų | 108.6 | 68% | 0.68 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.2 | 15.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L79 S85 | L79-G83 PolarHBondContact O-N 3.33Å; G83-S85 PolarHBondContact O-N 2.93Å |
| 84 | I | 49.5 | Very low | 53.2 | Low | 94 Ų | 94 | 118.2 Ų | 118.2 | 48% | 0.482 | 70% | 0.695 | S | S | . | * | trans | -94.9 | 92 | -179.5 | -49.4 | 175 | 0 | 0 | 0 | 109.2 | L79 E82 L86 | L79-I84 PolarHBondContact O-N 3.22Å; E82-I84 PolarHBondContact O-N 3.42Å; I84-L86 PolarHBondContact O-N 3.33Å | ||
| 85 | S | 50 | Low | 53.4 | Low | 116 Ų | 116 | 121.2 Ų | 121.2 | 81% | 0.811 | 70% | 0.697 | S | S | * | * | trans | -79.4 | 105.1 | 172 | 69.9 | 0 | 0 | 0 | 0 | 110.4 | G83 | G83-S85 PolarHBondContact O-N 2.93Š| ||
| 86 | L | 47.1 | Very low | 54.1 | Low | 154 Ų | 154 | 125.9 Ų | 125.9 | 81% | 0.806 | 71% | 0.711 | S | S | * | * | trans | -84.1 | 111.7 | 163.1 | -67.8 | 173.7 | 0 | 0 | 0 | 108.3 | I84 | I84-L86 PolarHBondContact O-N 3.33Š| ||
| 87 | G | 42.6 | Very low | 55 | Low | 60 Ų | 60 | 127.8 Ų | 127.8 | 62% | 0.619 | 73% | 0.728 | S | S | * | * | trans | -60.6 | 154.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G89 | G87-G89 PolarHBondContact O-N 3.33Š| ||
| 88 | P | 51.4 | Low | 56.1 | Low | 147 Ų | 147 | 129.8 Ų | 129.8 | 96% | 0.955 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -75.7 | 93.8 | -177 | 30.2 | -31.5 | 0 | 0 | 0 | 109.8 | ||
| 89 | G | 47.8 | Very low | 57.4 | Low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | trans | -162.9 | 33 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | G87 | G87-G89 PolarHBondContact O-N 3.33Š| ||
| 90 | A | 48.4 | Very low | 58.8 | Low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | trans | -164.2 | 96.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L92 | A90-L92 PolarHBondContact O-N 3.4Å; A90-L92 VanDerWaalsContact O-N 3.08Å | ||
| 91 | S | 51.1 | Low | 60.3 | Low | 101 Ų | 101 | 130.8 Ų | 130.8 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | -62.2 | 113.9 | 163.5 | 61.2 | 0 | 0 | 0 | 0 | 107.9 | K93 | S91-K93 VanDerWaalsContact C-N 3.31Å; S91-K93 PolarHBondContact O-N 2.92Å | ||
| 92 | L | 52.3 | Low | 62 | Low | 167 Ų | 167 | 129.9 Ų | 129.9 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | trans | -54.7 | 103.3 | 161.1 | -72.9 | 168.9 | 0 | 0 | 0 | 106.2 | A90 R94 | A90-L92 PolarHBondContact O-N 3.4Å; A90-L92 VanDerWaalsContact O-N 3.08Å; L92-R94 PolarHBondContact O-N 2.92Å | ||
| 93 | K | 56 | Low | 63.8 | Low | 183 Ų | 183 | 126.4 Ų | 126.4 | 80% | 0.796 | 71% | 0.705 | S | S | * | * | trans | -53.5 | 105.3 | 174.6 | -72 | -87.8 | -177.3 | 176.5 | 0 | 105.8 | S91 K95 | S91-K93 VanDerWaalsContact C-N 3.31Å; S91-K93 PolarHBondContact O-N 2.92Å; K93-K95 PolarHBondContact O-N 3.07Å | ||
| 94 | R | 56.6 | Low | 65.7 | Low | 238 Ų | 238 | 127.3 Ų | 127.3 | 90% | 0.898 | 69% | 0.694 | S | S | * | * | trans | -54.1 | 108.9 | 165.7 | -71.7 | 179.6 | 172.5 | 178.1 | -3.2 | 104.5 | L92 D96 | L92-R94 PolarHBondContact O-N 2.92Å; R94-D96 PolarHBondContact O-N 2.95Å | ||
| 95 | K | 64.9 | Low | 67.9 | Low | 199 Ų | 199 | 127.5 Ų | 127.5 | 87% | 0.865 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 126.6 | 170.6 | -70.8 | 178.7 | 179.4 | 177.9 | 0 | 105.1 | K93 | K93-K95 PolarHBondContact O-N 3.07Š|
| 96 | D | 71.4 | Confident | 70 | Confident | 144 Ų | 144 | 130.9 Ų | 130.9 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 145 | 177.8 | -63.2 | -52.8 | 0 | 0 | 0 | 109.6 | R94 K98 | R94-D96 PolarHBondContact O-N 2.95Å; D96-K98 PolarHBondContact O-N 3.01Å; D96-K98 VanDerWaalsContact O-N 3.07Å |
| 97 | P | 73.7 | Confident | 72.3 | Confident | 121 Ų | 121 | 131.4 Ų | 131.4 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 121 | -179.8 | -23.3 | 31.6 | 0 | 0 | 0 | 109.7 | D99 | P97-D99 PolarHBondContact O-N 3.33Š|
| 98 | K | 80.4 | Confident | 74.7 | Confident | 126 Ų | 126 | 132.7 Ų | 132.7 | 55% | 0.548 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -73.9 | 123.3 | -173.4 | -165.4 | 165.1 | -178.5 | -159.4 | 0 | 109.4 | D96 H100 E103 | D96-K98 PolarHBondContact O-N 3.01Å; D96-K98 VanDerWaalsContact O-N 3.07Å; K98-H100 VanDerWaalsContact C-N 3.29Å; K98-H100 PolarHBondContact O-CD2 3.27Å; K98-H100 PolarHBondContact O-N 2.88Å; K98-E103 WeakPolarHBondContact CE-OE1 3.48Å; K98-E103 WeakPolarHBondContact CE-OE2 3.2Å; K98-E103 IonicContact NZ-OE1 3.17Å; K98-E103 PolarHBondContact NZ-OE1 3.03Å; K98-E103 IonicContact NZ-OE2 2.83Å; K98-E103 PolarHBondContact NZ-OE2 3.39Å |
| 99 | D | 83.5 | Confident | 76.8 | Confident | 92 Ų | 92 | 134.1 Ų | 134.1 | 49% | 0.492 | 66% | 0.661 | S | S | . | * | trans | -66.4 | 84.6 | 175.5 | -75.7 | -11 | 0 | 0 | 0 | 110.8 | P97 E101 K102 E103 | P97-D99 PolarHBondContact O-N 3.33Å; D99-E101 PolarHBondContact O-N 2.99Å; D99-K102 HydrophobicContact CB-CB 4.18Å; D99-K102 HydrophobicContact CB-CD 4.14Å; D99-K102 HydrophobicContact CB-CG 4.3Å; D99-K102 PolarHBondContact O-N 2.69Å; D99-K102 IonicContact OD2-NZ 3.62Å; D99-K102 PolarHBondContact OD2-NZ 3.29Å; D99-E103 PolarHBondContact O-N 3.32Å; D99-E103 VanDerWaalsContact O-N 3.12Å | ||
| 100 | H | 87 | Confident | 79.1 | Confident | 119 Ų | 119 | 135.2 Ų | 135.2 | 55% | 0.551 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.2 | -28.2 | -178.6 | -68.8 | -63.5 | 0 | 0 | 0 | 112.6 | K98 E103 N104 | K98-H100 VanDerWaalsContact C-N 3.29Å; K98-H100 PolarHBondContact O-CD2 3.27Å; K98-H100 PolarHBondContact O-N 2.88Å; H100-E103 IonicContact ND1-OE2 2.79Å; H100-E103 PolarHBondContact O-N 3.35Å; H100-N104 WeakPolarHBondContact O-CB 3.48Å; H100-N104 PolarHBondContact O-N 2.81Å; H100-N104 PolarHBondContact O-ND2 3Å; H100-N104 VanDerWaalsContact O-ND2 3.16Å |
| 101 | E | 89 | Confident | 81.2 | Confident | 160 Ų | 160 | 134.6 Ų | 134.6 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.9 | -46.1 | 175.6 | -65.4 | -175.4 | 171.1 | 0 | 0 | 112.1 | D99 N104 L105 | D99-E101 PolarHBondContact O-N 2.99Å; E101-N104 PolarHBondContact O-N 2.95Å; E101-L105 WeakPolarHBondContact O-CB 3.39Å; E101-L105 VanDerWaalsContact O-CG 3.3Å; E101-L105 WeakPolarHBondContact O-CG 3.44Å; E101-L105 PolarHBondContact O-N 3.21Å |
| 102 | K | 92 | Very high | 83.3 | Confident | 125 Ų | 125 | 134.8 Ų | 134.8 | 54% | 0.543 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.4 | -38.1 | 176.9 | -70.9 | 178.8 | -172.2 | 149.6 | 0 | 111.4 | D99 R106 | D99-K102 HydrophobicContact CB-CB 4.18Å; D99-K102 HydrophobicContact CB-CD 4.14Å; D99-K102 HydrophobicContact CB-CG 4.3Å; D99-K102 PolarHBondContact O-N 2.69Å; D99-K102 IonicContact OD2-NZ 3.62Å; D99-K102 PolarHBondContact OD2-NZ 3.29Å; K102-R106 WeakPolarHBondContact O-CB 3.49Å; K102-R106 VanDerWaalsContact O-CG 3.28Å; K102-R106 WeakPolarHBondContact O-CG 3.39Å; K102-R106 PolarHBondContact O-N 3.11Å |
| 103 | E | 91.4 | Very high | 85.3 | Confident | 76 Ų | 76 | 133.8 Ų | 133.8 | 36% | 0.355 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -43.4 | 175.8 | -175.4 | 167.8 | -150.2 | 0 | 0 | 111.7 | K98 D99 H100 R106 R107 | K98-E103 WeakPolarHBondContact CE-OE1 3.48Å; K98-E103 WeakPolarHBondContact CE-OE2 3.2Å; K98-E103 IonicContact NZ-OE1 3.17Å; K98-E103 PolarHBondContact NZ-OE1 3.03Å; K98-E103 IonicContact NZ-OE2 2.83Å; K98-E103 PolarHBondContact NZ-OE2 3.39Å; D99-E103 PolarHBondContact O-N 3.32Å; D99-E103 VanDerWaalsContact O-N 3.12Å; H100-E103 IonicContact ND1-OE2 2.79Å; H100-E103 PolarHBondContact O-N 3.35Å; E103-R106 PolarHBondContact O-N 3.45Å; E103-R107 VanDerWaalsContact O-CB 3.32Å; E103-R107 WeakPolarHBondContact O-CB 3.39Å; E103-R107 PolarHBondContact O-N 3.44Å |
| 104 | N | 92.8 | Very high | 87.2 | Confident | 84 Ų | 84 | 132.6 Ų | 132.6 | 45% | 0.449 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.1 | -43.1 | 176.3 | -72.3 | -20.3 | 0 | 0 | 0 | 111.4 | H100 E101 R107 I108 | H100-N104 WeakPolarHBondContact O-CB 3.48Å; H100-N104 PolarHBondContact O-N 2.81Å; H100-N104 PolarHBondContact O-ND2 3Å; H100-N104 VanDerWaalsContact O-ND2 3.16Å; E101-N104 PolarHBondContact O-N 2.95Å; N104-R107 PolarHBondContact O-N 3.48Å; N104-I108 WeakPolarHBondContact O-CB 3.37Å; N104-I108 VanDerWaalsContact O-CG1 3.27Å; N104-I108 WeakPolarHBondContact O-CG1 3.19Å; N104-I108 PolarHBondContact O-N 3.41Å |
| 105 | L | 96.1 | Very high | 88.7 | Confident | 99 Ų | 99 | 126.8 Ų | 126.8 | 52% | 0.518 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.8 | -41.9 | 175.3 | -73.5 | 172.5 | 0 | 0 | 0 | 112.2 | E101 I108 R109 | E101-L105 WeakPolarHBondContact O-CB 3.39Å; E101-L105 VanDerWaalsContact O-CG 3.3Å; E101-L105 WeakPolarHBondContact O-CG 3.44Å; E101-L105 PolarHBondContact O-N 3.21Å; L105-I108 PolarHBondContact O-N 3.34Å; L105-R109 WeakPolarHBondContact O-CG 3.35Å; L105-R109 PolarHBondContact O-N 3.38Å |
| 106 | R | 93.9 | Very high | 89.9 | Confident | 187 Ų | 187 | 125.3 Ų | 125.3 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62 | -45.8 | 174.1 | -74.7 | 175.2 | -178.4 | -166.9 | 0.9 | 111 | K102 E103 I108 R109 E110 | K102-R106 WeakPolarHBondContact O-CB 3.49Å; K102-R106 VanDerWaalsContact O-CG 3.28Å; K102-R106 WeakPolarHBondContact O-CG 3.39Å; K102-R106 PolarHBondContact O-N 3.11Å; E103-R106 PolarHBondContact O-N 3.45Å; R106-I108 PolarHBondContact O-N 3.15Å; R106-R109 PolarHBondContact O-N 3.31Å; R106-E110 WeakPolarHBondContact O-CB 3.46Å; R106-E110 PolarHBondContact O-N 3.41Å |
| 107 | R | 95.2 | Very high | 90.7 | Very high | 165 Ų | 165 | 124.2 Ų | 124.2 | 62% | 0.623 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.6 | -44 | 178.3 | -172.6 | 175.9 | -177.6 | 172.7 | 1.2 | 112.2 | E103 N104 E110 I111 | E103-R107 VanDerWaalsContact O-CB 3.32Å; E103-R107 WeakPolarHBondContact O-CB 3.39Å; E103-R107 PolarHBondContact O-N 3.44Å; N104-R107 PolarHBondContact O-N 3.48Å; R107-E110 PolarHBondContact O-N 2.99Å; R107-I111 HydrophobicContact CG-CD1 4.08Å; R107-I111 VanDerWaalsContact O-CG1 3.26Å; R107-I111 WeakPolarHBondContact O-CG1 3.31Å; R107-I111 PolarHBondContact O-N 3.48Å |
| 108 | I | 93.8 | Very high | 91.1 | Very high | 87 Ų | 87 | 122.6 Ų | 122.6 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 176.7 | -70.4 | 167.5 | 0 | 0 | 0 | 110.6 | N104 L105 R106 E110 I111 Q112 | N104-I108 WeakPolarHBondContact O-CB 3.37Å; N104-I108 VanDerWaalsContact O-CG1 3.27Å; N104-I108 WeakPolarHBondContact O-CG1 3.19Å; N104-I108 PolarHBondContact O-N 3.41Å; L105-I108 PolarHBondContact O-N 3.34Å; R106-I108 PolarHBondContact O-N 3.15Å; I108-E110 VanDerWaalsContact C-N 3.29Å; I108-E110 PolarHBondContact O-N 2.95Å; I108-I111 PolarHBondContact O-N 2.69Å; I108-Q112 HydrophobicContact CG2-CG 4.49Å; I108-Q112 WeakPolarHBondContact O-CG 3.5Å; I108-Q112 PolarHBondContact O-N 3.37Å |
| 109 | R | 95.9 | Very high | 90.9 | Very high | 177 Ų | 177 | 121.7 Ų | 121.7 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.6 | -38.7 | 176.8 | -73.8 | 178.3 | -176.3 | 179.4 | 2.1 | 112 | L105 R106 Q112 K113 | L105-R109 WeakPolarHBondContact O-CG 3.35Å; L105-R109 PolarHBondContact O-N 3.38Å; R106-R109 PolarHBondContact O-N 3.31Å; R109-Q112 PolarHBondContact O-N 3.48Å; R109-K113 WeakPolarHBondContact O-CB 3.23Å; R109-K113 PolarHBondContact O-N 3.38Å |
| 110 | E | 95.9 | Very high | 90.8 | Very high | 96 Ų | 96 | 125.3 Ų | 125.3 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68 | -42.5 | 178 | -157.2 | -176.8 | 162.4 | 0 | 0 | 111.8 | R106 R107 I108 K113 R114 | R106-E110 WeakPolarHBondContact O-CB 3.46Å; R106-E110 PolarHBondContact O-N 3.41Å; R107-E110 PolarHBondContact O-N 2.99Å; I108-E110 VanDerWaalsContact C-N 3.29Å; I108-E110 PolarHBondContact O-N 2.95Å; E110-K113 PolarHBondContact O-N 2.93Å; E110-R114 WeakPolarHBondContact O-CB 3.49Å; E110-R114 WeakPolarHBondContact O-CG 3.41Å; E110-R114 PolarHBondContact O-N 3.46Å; E110-R114 IonicContact OE1-CZ 3.84Å; E110-R114 IonicContact OE1-NE 2.99Å; E110-R114 IonicContact OE1-NH2 3.27Å; E110-R114 PolarHBondContact OE1-NH2 3.34Å |
| 111 | I | 93 | Very high | 90 | Very high | 81 Ų | 81 | 123.1 Ų | 123.1 | 42% | 0.415 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 173.5 | -69.6 | 165.4 | 0 | 0 | 0 | 110.4 | R107 I108 K113 R114 F115 | R107-I111 HydrophobicContact CG-CD1 4.08Å; R107-I111 VanDerWaalsContact O-CG1 3.26Å; R107-I111 WeakPolarHBondContact O-CG1 3.31Å; R107-I111 PolarHBondContact O-N 3.48Å; I108-I111 PolarHBondContact O-N 2.69Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.16Å; I111-R114 PolarHBondContact O-N 3.49Å; I111-F115 HydrophobicContact CG2-CD2 3.82Å; I111-F115 HydrophobicContact CG2-CE2 4.04Å; I111-F115 WeakPolarHBondContact O-CD2 3.37Å; I111-F115 PolarHBondContact O-N 3.01Å |
| 112 | Q | 93.6 | Very high | 89.1 | Confident | 104 Ų | 104 | 121.5 Ų | 121.5 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 177.8 | -72.7 | 176.4 | -10.1 | 0 | 0 | 112 | I108 R109 F115 R116 | I108-Q112 HydrophobicContact CG2-CG 4.49Å; I108-Q112 WeakPolarHBondContact O-CG 3.5Å; I108-Q112 PolarHBondContact O-N 3.37Å; R109-Q112 PolarHBondContact O-N 3.48Å; Q112-F115 PolarHBondContact O-N 2.96Å; Q112-R116 WeakPolarHBondContact O-CG 3.45Å; Q112-R116 PolarHBondContact O-N 3.47Å |
| 113 | K | 95.8 | Very high | 87.9 | Confident | 146 Ų | 146 | 122.7 Ų | 122.7 | 64% | 0.635 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.8 | -48.1 | 175.5 | -173.3 | -177.7 | 176.6 | -172.9 | 0 | 111.2 | R109 E110 I111 F115 R116 E117 | R109-K113 WeakPolarHBondContact O-CB 3.23Å; R109-K113 PolarHBondContact O-N 3.38Å; E110-K113 PolarHBondContact O-N 2.93Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.16Å; K113-F115 VanDerWaalsContact C-N 3.34Å; K113-F115 PolarHBondContact O-N 2.96Å; K113-R116 PolarHBondContact O-N 3.31Å; K113-E117 WeakPolarHBondContact O-CB 3.49Å; K113-E117 PolarHBondContact O-N 2.85Å |
| 114 | R | 94.3 | Very high | 86.5 | Confident | 158 Ų | 158 | 127.1 Ų | 127.1 | 60% | 0.596 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.9 | -40.7 | 178.1 | -73.2 | -177.2 | -170.5 | -157.3 | 4.8 | 112.1 | E110 I111 E117 Q118 | E110-R114 WeakPolarHBondContact O-CB 3.49Å; E110-R114 WeakPolarHBondContact O-CG 3.41Å; E110-R114 PolarHBondContact O-N 3.46Å; E110-R114 IonicContact OE1-CZ 3.84Å; E110-R114 IonicContact OE1-NE 2.99Å; E110-R114 IonicContact OE1-NH2 3.27Å; E110-R114 PolarHBondContact OE1-NH2 3.34Å; I111-R114 PolarHBondContact O-N 3.49Å; R114-E117 PolarHBondContact O-N 3.26Å; R114-Q118 WeakPolarHBondContact O-CB 3.41Å; R114-Q118 PolarHBondContact O-N 2.92Å |
| 115 | F | 89.6 | Confident | 85.1 | Confident | 116 Ų | 116 | 124.9 Ų | 124.9 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.4 | -45.9 | 175.5 | -97.6 | -78.6 | 0 | 0 | 0 | 112 | I111 Q112 K113 E117 Q118 E119 | I111-F115 HydrophobicContact CG2-CD2 3.82Å; I111-F115 HydrophobicContact CG2-CE2 4.04Å; I111-F115 WeakPolarHBondContact O-CD2 3.37Å; I111-F115 PolarHBondContact O-N 3.01Å; Q112-F115 PolarHBondContact O-N 2.96Å; K113-F115 VanDerWaalsContact C-N 3.34Å; K113-F115 PolarHBondContact O-N 2.96Å; F115-E117 VanDerWaalsContact C-N 3.32Å; F115-E117 PolarHBondContact O-N 3.44Å; F115-Q118 PolarHBondContact O-N 3.26Å; F115-E119 WeakPolarHBondContact O-CG 3.44Å; F115-E119 PolarHBondContact O-N 3.02Å |
| 116 | R | 89.1 | Confident | 83.2 | Confident | 168 Ų | 168 | 128.7 Ų | 128.7 | 63% | 0.634 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.4 | -40.6 | 176.3 | -71.4 | 174.4 | -177.4 | -177.3 | 1.2 | 112.3 | Q112 K113 R120 | Q112-R116 WeakPolarHBondContact O-CG 3.45Å; Q112-R116 PolarHBondContact O-N 3.47Å; K113-R116 PolarHBondContact O-N 3.31Å; R116-R120 VanDerWaalsContact O-CG 3.28Å; R116-R120 WeakPolarHBondContact O-CG 3.46Å; R116-R120 PolarHBondContact O-N 3.44Å |
| 117 | E | 87.9 | Confident | 81.4 | Confident | 122 Ų | 122 | 126 Ų | 126 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68 | -39.7 | 176.9 | -171.6 | 167.2 | -157.7 | 0 | 0 | 111.7 | K113 R114 F115 R120 S121 | K113-E117 WeakPolarHBondContact O-CB 3.49Å; K113-E117 PolarHBondContact O-N 2.85Å; R114-E117 PolarHBondContact O-N 3.26Å; F115-E117 VanDerWaalsContact C-N 3.32Å; F115-E117 PolarHBondContact O-N 3.44Å; E117-R120 PolarHBondContact O-N 2.78Å; E117-S121 WeakPolarHBondContact O-CB 3.42Å; E117-S121 PolarHBondContact O-N 2.98Å; E117-S121 PolarHBondContact O-OG 3.28Å |
| 118 | Q | 81.9 | Confident | 79.6 | Confident | 86 Ų | 86 | 128.7 Ų | 128.7 | 40% | 0.402 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.6 | -40 | 175.6 | -166.3 | 172.4 | 44.7 | 0 | 0 | 111.6 | R114 F115 S121 R122 | R114-Q118 WeakPolarHBondContact O-CB 3.41Å; R114-Q118 PolarHBondContact O-N 2.92Å; F115-Q118 PolarHBondContact O-N 3.26Å; Q118-S121 WeakPolarHBondContact CA-OG 3.48Å; Q118-S121 PolarHBondContact O-N 2.89Å; Q118-S121 PolarHBondContact O-OG 3.16Å; Q118-R122 WeakPolarHBondContact O-CB 3.37Å; Q118-R122 WeakPolarHBondContact O-CG 3.36Å; Q118-R122 PolarHBondContact O-N 3Å |
| 119 | E | 78.1 | Confident | 78.1 | Confident | 107 Ų | 107 | 129.7 Ų | 129.7 | 50% | 0.5 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.6 | -44.5 | 172.3 | -72.8 | -160.8 | 142.2 | 0 | 0 | 111.9 | F115 S121 R122 E123 | F115-E119 WeakPolarHBondContact O-CG 3.44Å; F115-E119 PolarHBondContact O-N 3.02Å; E119-S121 VanDerWaalsContact C-N 3.33Å; E119-S121 PolarHBondContact O-N 2.87Å; E119-R122 CarbonylContact O-C 3.59Å; E119-R122 WeakPolarHBondContact O-CA 3.49Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 3.01Å; E119-E123 WeakPolarHBondContact O-CG 3.21Å; E119-E123 PolarHBondContact O-N 3.36Å |
| 120 | R | 79.8 | Confident | 76.5 | Confident | 169 Ų | 169 | 128.7 Ų | 128.7 | 64% | 0.638 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -57.9 | -44.1 | 172.4 | -72.9 | 172.7 | -178 | -170.9 | -1.8 | 111.9 | R116 E117 R122 E123 H124 | R116-R120 VanDerWaalsContact O-CG 3.28Å; R116-R120 WeakPolarHBondContact O-CG 3.46Å; R116-R120 PolarHBondContact O-N 3.44Å; E117-R120 PolarHBondContact O-N 2.78Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 3.15Å; R120-E123 PolarHBondContact O-N 3Å; R120-H124 PolarHBondContact O-N 2.91Å; R120-H124 PolarHBondContact O-ND1 3.04Å |
| 121 | S | 71.7 | Confident | 75 | Confident | 73 Ų | 73 | 132.7 Ų | 132.7 | 51% | 0.51 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.4 | -29.2 | 176.2 | 70.7 | 0 | 0 | 0 | 0 | 113.2 | E117 Q118 E119 G125 | E117-S121 WeakPolarHBondContact O-CB 3.42Å; E117-S121 PolarHBondContact O-N 2.98Å; E117-S121 PolarHBondContact O-OG 3.28Å; Q118-S121 WeakPolarHBondContact CA-OG 3.48Å; Q118-S121 PolarHBondContact O-N 2.89Å; Q118-S121 PolarHBondContact O-OG 3.16Å; E119-S121 VanDerWaalsContact C-N 3.33Å; E119-S121 PolarHBondContact O-N 2.87Å; S121-G125 PolarHBondContact O-N 3.39Å; S121-G125 VanDerWaalsContact O-N 3.14Å |
| 122 | R | 68.2 | Low | 73.5 | Confident | 126 Ų | 126 | 133.3 Ų | 133.3 | 48% | 0.475 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -74.8 | -37.1 | 175.3 | -76.2 | 167.8 | -178.7 | -176.1 | 5.3 | 111.2 | Q118 E119 R120 G125 | Q118-R122 WeakPolarHBondContact O-CB 3.37Å; Q118-R122 WeakPolarHBondContact O-CG 3.36Å; Q118-R122 PolarHBondContact O-N 3Å; E119-R122 CarbonylContact O-C 3.59Å; E119-R122 WeakPolarHBondContact O-CA 3.49Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 3.01Å; R120-R122 VanDerWaalsContact C-N 3.27Å; R120-R122 PolarHBondContact O-N 3.15Å; R122-G125 PolarHBondContact O-N 3.28Å; R122-G125 VanDerWaalsContact O-O 3.09Å |
| 123 | E | 67.1 | Low | 72.3 | Confident | 150 Ų | 150 | 135.5 Ų | 135.5 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.9 | -34.3 | 174.1 | -71.6 | 171.9 | 175.1 | 0 | 0 | 112.2 | E119 R120 G125 | E119-E123 WeakPolarHBondContact O-CG 3.21Å; E119-E123 PolarHBondContact O-N 3.36Å; R120-E123 PolarHBondContact O-N 3Å; E123-G125 VanDerWaalsContact C-N 3.33Å |
| 124 | H | 62.1 | Low | 70.7 | Confident | 169 Ų | 169 | 139.6 Ų | 139.6 | 78% | 0.782 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -81.4 | -11.1 | 174.1 | -68.9 | 71.5 | 0 | 0 | 0 | 113.3 | R120 | R120-H124 PolarHBondContact O-N 2.91Å; R120-H124 PolarHBondContact O-ND1 3.04Å |
| 125 | G | 63.7 | Low | 69.6 | Low | 36 Ų | 36 | 141 Ų | 141 | 37% | 0.371 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -95.1 | 151.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S121 R122 E123 | S121-G125 PolarHBondContact O-N 3.39Å; S121-G125 VanDerWaalsContact O-N 3.14Å; R122-G125 PolarHBondContact O-N 3.28Å; R122-G125 VanDerWaalsContact O-O 3.09Å; E123-G125 VanDerWaalsContact C-N 3.33Å |
| 126 | Q | 56.2 | Low | 69 | Low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | trans | -58.3 | 144.6 | 172.2 | -74.3 | -159.6 | -8.5 | 0 | 0 | 111.2 | R128 | Q126-R128 PolarHBondContact O-N 3.35Š| ||
| 127 | P | 57.4 | Low | 68.5 | Low | 130 Ų | 130 | 134.4 Ų | 134.4 | 84% | 0.844 | 66% | 0.661 | S | S | * | * | trans | -64.2 | 96.4 | -176.3 | 26.3 | -34 | 0 | 0 | 0 | 110.4 | ||||
| 128 | R | 57 | Low | 68.2 | Low | 222 Ų | 222 | 136.2 Ų | 136.2 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | trans | -86.4 | 123.3 | 170 | -77 | -175.5 | 176.8 | -173.4 | -0.2 | 108.6 | Q126 L130 | Q126-R128 PolarHBondContact O-N 3.35Å; R128-L130 PolarHBondContact O-N 2.9Å | ||
| 129 | P | 61.8 | Low | 67.8 | Low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | trans | -62.2 | 129.4 | 175.6 | 25.1 | -31.9 | 0 | 0 | 0 | 109.4 | K131 | P129-K131 PolarHBondContact O-N 3.5Š| ||
| 130 | L | 61.9 | Low | 67.9 | Low | 156 Ų | 156 | 138 Ų | 138 | 82% | 0.817 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -62.2 | -13 | -174 | -69.6 | 166.1 | 0 | 0 | 0 | 113.9 | R128 | R128-L130 PolarHBondContact O-N 2.9Š|
| 131 | K | 64.9 | Low | 68 | Low | 180 Ų | 180 | 139.4 Ų | 139.4 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -137.5 | 107.8 | 173.5 | -74.8 | 176.8 | 174 | 177.2 | 0 | 109.1 | P129 L133 | P129-K131 PolarHBondContact O-N 3.5Å; K131-L133 PolarHBondContact O-N 3.45Å |
| 132 | A | 61.7 | Low | 68.5 | Low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 69% | 0.688 | S | S | * | * | trans | -72.7 | 107.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | W134 | A132-W134 PolarHBondContact O-N 3.19Š| ||
| 133 | L | 67.4 | Low | 69 | Low | 149 Ų | 149 | 140.5 Ų | 140.5 | 78% | 0.78 | 69% | 0.694 | S | S | * | * | trans | -58.5 | 128.3 | 162 | -92.9 | 75.1 | 0 | 0 | 0 | 106.8 | K131 R135 | K131-L133 PolarHBondContact O-N 3.45Å; L133-R135 PolarHBondContact O-N 3.41Å; L133-R135 VanDerWaalsContact O-N 3.1Å | ||
| 134 | W | 63.2 | Low | 69.6 | Low | 232 Ų | 232 | 136.3 Ų | 136.3 | 88% | 0.879 | 68% | 0.681 | S | S | * | * | trans | -51.8 | 120.6 | 175.8 | 169.3 | 52.3 | 0 | 0 | 0 | 109.4 | A132 | A132-W134 PolarHBondContact O-N 3.19Š| ||
| 135 | R | 71.9 | Confident | 70.4 | Confident | 189 Ų | 189 | 138.8 Ų | 138.8 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | trans | -107.4 | 133.5 | 170.2 | -66.2 | -158.1 | 176.5 | -139.3 | 0.3 | 107.9 | L133 | L133-R135 PolarHBondContact O-N 3.41Å; L133-R135 VanDerWaalsContact O-N 3.1Å | ||
| 136 | S | 75.6 | Confident | 70.8 | Confident | 37 Ų | 37 | 141.1 Ų | 141.1 | 26% | 0.259 | 69% | 0.691 | S | S | . | * | trans | -79.2 | 144.5 | 175 | 66.1 | 0 | 0 | 0 | 0 | 109.8 | K138 Y139 | S136-K138 PolarHBondContact O-N 3.41Å; S136-Y139 PolarHBondContact O-N 3.42Å; S136-Y139 VanDerWaalsContact OG-CD2 3.25Å; S136-Y139 WeakPolarHBondContact OG-CD2 3.4Å | ||
| 137 | P | 79.8 | Confident | 71.8 | Confident | 108 Ų | 108 | 137.3 Ų | 137.3 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -58.2 | -21.2 | -177.9 | -22.6 | 31 | 0 | 0 | 0 | 113.7 | Y139 | P137-Y139 PolarHBondContact O-N 3.28Š|
| 138 | K | 81.4 | Confident | 72.6 | Confident | 160 Ų | 160 | 133.7 Ų | 133.7 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -61.1 | -26.7 | 178.2 | -172.4 | 176 | 179.6 | -176.2 | 0 | 113 | S136 | S136-K138 PolarHBondContact O-N 3.41Š|
| 139 | Y | 74.1 | Confident | 73.3 | Confident | 123 Ų | 123 | 130.3 Ų | 130.3 | 48% | 0.482 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -118.5 | 10.3 | -174.2 | -56.9 | -74.2 | 0 | 0 | 0 | 113.8 | S136 P137 K141 V142 | S136-Y139 PolarHBondContact O-N 3.42Å; S136-Y139 VanDerWaalsContact OG-CD2 3.25Å; S136-Y139 WeakPolarHBondContact OG-CD2 3.4Å; P137-Y139 PolarHBondContact O-N 3.28Å; Y139-K141 VanDerWaalsContact C-N 3.26Å; Y139-K141 PolarHBondContact O-N 3.26Å; Y139-V142 HydrophobicContact CD1-CG2 4.13Å; Y139-V142 PolarHBondContact O-N 3.45Å |
| 140 | D | 80 | Confident | 73.6 | Confident | 106 Ų | 106 | 132 Ų | 132 | 57% | 0.567 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -29.5 | 179.3 | -84.6 | -15 | 0 | 0 | 0 | 113 | ||
| 141 | K | 81.4 | Confident | 74 | Confident | 200 Ų | 200 | 131.5 Ų | 131.5 | 87% | 0.87 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 3.4 | 179.3 | -58.6 | -177.5 | -177.6 | -177.9 | 0 | 113.5 | Y139 E143 | Y139-K141 VanDerWaalsContact C-N 3.26Å; Y139-K141 PolarHBondContact O-N 3.26Å; K141-E143 PolarHBondContact O-N 3.34Å |
| 142 | V | 81 | Confident | 74.4 | Confident | 94 Ų | 94 | 129.6 Ų | 129.6 | 57% | 0.57 | 64% | 0.635 | S | S | * | * | trans | -94.2 | 97 | -178.3 | -176 | 0 | 0 | 0 | 0 | 108.5 | Y139 | Y139-V142 HydrophobicContact CD1-CG2 4.13Å; Y139-V142 PolarHBondContact O-N 3.45Å | ||
| 143 | E | 79 | Confident | 74.5 | Confident | 127 Ų | 127 | 131 Ų | 131 | 59% | 0.593 | 64% | 0.637 | S | S | * | * | trans | -63.5 | 138.3 | 174.5 | -62.4 | -63.4 | 148.4 | 0 | 0 | 110.5 | K141 R145 K147 | K141-E143 PolarHBondContact O-N 3.34Å; E143-R145 PolarHBondContact O-N 3.46Å; E143-K147 IonicContact OE2-NZ 2.8Å; E143-K147 PolarHBondContact OE2-NZ 3.46Å | ||
| 144 | S | 79.9 | Confident | 73.9 | Confident | 63 Ų | 63 | 126.6 Ų | 126.6 | 44% | 0.441 | 63% | 0.627 | S | S | . | * | trans | -66.8 | 125.7 | 178.2 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | V146 K147 A148 | S144-V146 PolarHBondContact O-N 3.41Å; S144-V146 WeakPolarHBondContact OG-CB 3.48Å; S144-V146 PolarHBondContact OG-N 2.79Å; S144-K147 WeakPolarHBondContact O-CA 3.39Å; S144-K147 WeakPolarHBondContact O-CB 3.34Å; S144-K147 PolarHBondContact O-N 3.17Å; S144-K147 PolarHBondContact OG-N 3.49Å; S144-A148 PolarHBondContact O-N 2.69Å; S144-A148 VanDerWaalsContact O-N 3.16Å | ||
| 145 | R | 78.6 | Confident | 73.5 | Confident | 221 Ų | 221 | 120.4 Ų | 120.4 | 83% | 0.834 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58.8 | -27.9 | 171.7 | -67.9 | -173.1 | 176.6 | -171.9 | -1.4 | 112.4 | E143 A148 Q149 | E143-R145 PolarHBondContact O-N 3.46Å; R145-A148 PolarHBondContact O-N 3.34Å; R145-Q149 WeakPolarHBondContact O-CG 3.46Å; R145-Q149 PolarHBondContact O-N 3.45Å |
| 146 | V | 72.7 | Confident | 72.6 | Confident | 85 Ų | 85 | 116.4 Ų | 116.4 | 52% | 0.515 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.2 | -36.1 | 173.7 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | S144 A148 Q149 L150 | S144-V146 PolarHBondContact O-N 3.41Å; S144-V146 WeakPolarHBondContact OG-CB 3.48Å; S144-V146 PolarHBondContact OG-N 2.79Å; V146-A148 VanDerWaalsContact C-N 3.33Å; V146-Q149 PolarHBondContact O-N 3.48Å; V146-L150 HydrophobicContact CG1-CD1 4.18Å; V146-L150 VanDerWaalsContact O-CG 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.47Å; V146-L150 PolarHBondContact O-N 3.36Å |
| 147 | K | 77.5 | Confident | 71.3 | Confident | 99 Ų | 99 | 123.3 Ų | 123.3 | 43% | 0.43 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -66.2 | -37.5 | 174.3 | -179.4 | -175.2 | 165.6 | -162.8 | 0 | 111.1 | E143 S144 L150 Q151 | E143-K147 IonicContact OE2-NZ 2.8Å; E143-K147 PolarHBondContact OE2-NZ 3.46Å; S144-K147 WeakPolarHBondContact O-CA 3.39Å; S144-K147 WeakPolarHBondContact O-CB 3.34Å; S144-K147 PolarHBondContact O-N 3.17Å; S144-K147 PolarHBondContact OG-N 3.49Å; K147-L150 PolarHBondContact O-N 3.33Å; K147-Q151 PolarHBondContact O-N 3.31Å; K147-Q151 VanDerWaalsContact O-N 3.11Å |
| 148 | A | 74.6 | Confident | 70 | Confident | 54 Ų | 54 | 121 Ų | 121 | 45% | 0.446 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64 | -47.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S144 R145 V146 L150 Q151 E152 | S144-A148 PolarHBondContact O-N 2.69Å; S144-A148 VanDerWaalsContact O-N 3.16Å; R145-A148 PolarHBondContact O-N 3.34Å; V146-A148 VanDerWaalsContact C-N 3.33Å; A148-L150 PolarHBondContact O-N 2.92Å; A148-Q151 PolarHBondContact O-N 3.26Å; A148-E152 WeakPolarHBondContact O-CG 3.43Å; A148-E152 PolarHBondContact O-N 2.92Å; A148-E152 VanDerWaalsContact O-N 3.07Å |
| 149 | Q | 72.1 | Confident | 68.6 | Low | 151 Ų | 151 | 119.9 Ų | 119.9 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.8 | -26.9 | 176.9 | -75.2 | 178.6 | -21.2 | 0 | 0 | 114.2 | R145 V146 | R145-Q149 WeakPolarHBondContact O-CG 3.46Å; R145-Q149 PolarHBondContact O-N 3.45Å; V146-Q149 PolarHBondContact O-N 3.48Å |
| 150 | L | 67 | Low | 67.6 | Low | 145 Ų | 145 | 122.5 Ų | 122.5 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -86 | -18.6 | 175.5 | -69.9 | 171.9 | 0 | 0 | 0 | 113.7 | V146 K147 A148 | V146-L150 HydrophobicContact CG1-CD1 4.18Å; V146-L150 VanDerWaalsContact O-CG 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.47Å; V146-L150 PolarHBondContact O-N 3.36Å; K147-L150 PolarHBondContact O-N 3.33Å; A148-L150 PolarHBondContact O-N 2.92Å |
| 151 | Q | 70.9 | Confident | 66.4 | Low | 144 Ų | 144 | 123 Ų | 123 | 67% | 0.673 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -91.3 | -21.9 | 176.6 | -92 | 179.9 | -1.8 | 0 | 0 | 113.4 | K147 A148 P153 | K147-Q151 PolarHBondContact O-N 3.31Å; K147-Q151 VanDerWaalsContact O-N 3.11Å; A148-Q151 PolarHBondContact O-N 3.26Å; Q151-P153 WeakPolarHBondContact O-CD 3.33Å |
| 152 | E | 71.8 | Confident | 65.1 | Low | 140 Ų | 140 | 116.1 Ų | 116.1 | 65% | 0.654 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -59.9 | 122 | 169.1 | -71.2 | -66.4 | 143.8 | 0 | 0 | 109.5 | A148 G154 | A148-E152 WeakPolarHBondContact O-CG 3.43Å; A148-E152 PolarHBondContact O-N 2.92Å; A148-E152 VanDerWaalsContact O-N 3.07Å; E152-G154 VanDerWaalsContact C-N 3.3Å; E152-G154 PolarHBondContact O-N 3.18Å |
| 153 | P | 64.6 | Low | 64.1 | Low | 123 Ų | 123 | 119.9 Ų | 119.9 | 80% | 0.799 | 67% | 0.673 | S | S | * | * | trans | -67.6 | 95 | 168 | 27.2 | -29.4 | 0 | 0 | 0 | 107.7 | Q151 | Q151-P153 WeakPolarHBondContact O-CD 3.33Š| ||
| 154 | G | 55.5 | Low | 63.1 | Low | 57 Ų | 57 | 122.2 Ų | 122.2 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | trans | -56.3 | 148.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E152 A156 | E152-G154 VanDerWaalsContact C-N 3.3Å; E152-G154 PolarHBondContact O-N 3.18Å; G154-A156 PolarHBondContact O-N 2.9Å | ||
| 155 | P | 53.7 | Low | 62 | Low | 102 Ų | 102 | 127.5 Ų | 127.5 | 66% | 0.662 | 70% | 0.704 | S | S | * | * | trans | -58.5 | 137 | 175.3 | 24.9 | -31.8 | 0 | 0 | 0 | 109.3 | F157 | P155-F157 HydrophobicContact CB-CD2 4.02Å; P155-F157 HydrophobicContact CB-CE2 3.79Å; P155-F157 HydrophobicContact CG-CD2 3.81Å; P155-F157 HydrophobicContact CG-CE2 3.63Å; P155-F157 PolarHBondContact O-N 3.46Å | ||
| 156 | A | 53.9 | Low | 60.9 | Low | 106 Ų | 106 | 126 Ų | 126 | 88% | 0.876 | 70% | 0.698 | S | S | * | * | trans | -65.3 | 78.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G154 | G154-A156 PolarHBondContact O-N 2.9Š| ||
| 157 | F | 48 | Very low | 60 | Low | 181 Ų | 181 | 125.8 Ų | 125.8 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | trans | -90.4 | 109.4 | 160.6 | -70.7 | -72.7 | 0 | 0 | 0 | 107.5 | P155 | P155-F157 HydrophobicContact CB-CD2 4.02Å; P155-F157 HydrophobicContact CB-CE2 3.79Å; P155-F157 HydrophobicContact CG-CD2 3.81Å; P155-F157 HydrophobicContact CG-CE2 3.63Å; P155-F157 PolarHBondContact O-N 3.46Å | ||
| 158 | G | 52.7 | Low | 58.7 | Low | 60 Ų | 60 | 129.9 Ų | 129.9 | 62% | 0.619 | 73% | 0.726 | S | S | * | * | trans | -63.9 | 174.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 159 | T | 51.8 | Low | 57.8 | Low | 137 Ų | 137 | 129.6 Ų | 129.6 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | trans | 84 | 116.2 | 169.5 | 16.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 160 | E | 51.9 | Low | 56.9 | Low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | 82.5 | 75.4 | 152.1 | -56.4 | -173.1 | -179.3 | 0 | 0 | 118.4 | A162 | E160-A162 PolarHBondContact O-N 2.98Š| ||
| 161 | S | 56.1 | Low | 56.1 | Low | 116 Ų | 116 | 133.6 Ų | 133.6 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | -70.6 | 85.7 | 153.3 | 52.6 | 0 | 0 | 0 | 0 | 109.5 | H163 | S161-H163 PolarHBondContact O-N 3.5Å; S161-H163 VanDerWaalsContact O-N 3.09Å | ||
| 162 | A | 54.1 | Low | 55.1 | Low | 55 Ų | 55 | 129.7 Ų | 129.7 | 46% | 0.455 | 74% | 0.738 | S | S | . | * | trans | -60.3 | 117.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E160 F164 | E160-A162 PolarHBondContact O-N 2.98Å; A162-F164 VanDerWaalsContact C-N 3.34Å; A162-F164 HydrophobicContact CB-CD2 3.82Å; A162-F164 HydrophobicContact CB-CE1 4.05Å; A162-F164 HydrophobicContact CB-CE2 3.13Å; A162-F164 HydrophobicContact CB-CZ 3.25Å; A162-F164 WeakPolarHBondContact O-CD2 3.38Å; A162-F164 PolarHBondContact O-N 3.26Å | ||
| 163 | H | 60.4 | Low | 54.2 | Low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | -64.2 | 83 | 178.4 | -91.3 | -76.2 | 0 | 0 | 0 | 111.2 | S161 | S161-H163 PolarHBondContact O-N 3.5Å; S161-H163 VanDerWaalsContact O-N 3.09Å | ||
| 164 | F | 57.2 | Low | 53.7 | Low | 175 Ų | 175 | 127.2 Ų | 127.2 | 77% | 0.768 | 75% | 0.746 | S | S | * | * | trans | -92.2 | -5.4 | -179 | -65 | -59.6 | 0 | 0 | 0 | 115.7 | A162 | A162-F164 VanDerWaalsContact C-N 3.34Å; A162-F164 HydrophobicContact CB-CD2 3.82Å; A162-F164 HydrophobicContact CB-CE1 4.05Å; A162-F164 HydrophobicContact CB-CE2 3.13Å; A162-F164 HydrophobicContact CB-CZ 3.25Å; A162-F164 WeakPolarHBondContact O-CD2 3.38Å; A162-F164 PolarHBondContact O-N 3.26Å | ||
| 165 | L | 56.1 | Low | 53.7 | Low | 174 Ų | 174 | 132.4 Ų | 132.4 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -145.8 | 76.1 | 179.8 | -67.8 | 173.7 | 0 | 0 | 0 | 113 | ||
| 166 | R | 56.7 | Low | 53.9 | Low | 189 Ų | 189 | 132.9 Ų | 132.9 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | -151.7 | 61 | 159.7 | -146.7 | 176 | -162.7 | -140.4 | -4.2 | 113.2 | H168 S169 | R166-H168 VanDerWaalsContact C-N 3.3Å; R166-H168 PolarHBondContact O-N 2.9Å; R166-S169 WeakPolarHBondContact CD-OG 3.17Å; R166-S169 VanDerWaalsContact CG-OG 3.23Å; R166-S169 WeakPolarHBondContact CG-OG 3.5Å; R166-S169 VanDerWaalsContact NE-CB 3.34Å; R166-S169 PolarHBondContact NE-OG 2.96Å; R166-S169 PolarHBondContact NH1-OG 3.49Å | ||
| 167 | A | 52.9 | Low | 54.1 | Low | 82 Ų | 82 | 133.1 Ų | 133.1 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -16.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 168 | H | 51.5 | Low | 54.3 | Low | 184 Ų | 184 | 130.3 Ų | 130.3 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.7 | 35.5 | -170.4 | -59.7 | -56.1 | 0 | 0 | 0 | 116.8 | R166 | R166-H168 VanDerWaalsContact C-N 3.3Å; R166-H168 PolarHBondContact O-N 2.9Å |
| 169 | S | 55.7 | Low | 54.1 | Low | 49 Ų | 49 | 139 Ų | 139 | 34% | 0.343 | 77% | 0.769 | S | S | . | * | trans | -106.4 | 63.4 | 166 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | R166 | R166-S169 WeakPolarHBondContact CD-OG 3.17Å; R166-S169 VanDerWaalsContact CG-OG 3.23Å; R166-S169 WeakPolarHBondContact CG-OG 3.5Å; R166-S169 VanDerWaalsContact NE-CB 3.34Å; R166-S169 PolarHBondContact NE-OG 2.96Å; R166-S169 PolarHBondContact NH1-OG 3.49Å | ||
| 170 | R | 51.3 | Low | 54.1 | Low | 241 Ų | 241 | 138.7 Ų | 138.7 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | -108.7 | 67.8 | 168.7 | -69.9 | -171.6 | 179.5 | -108.4 | 2.5 | 109.6 | ||||
| 171 | C | 51.1 | Low | 53.9 | Low | 138 Ų | 138 | 135.7 Ų | 135.7 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | trans | -134.3 | 72.2 | 160.5 | -70 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 172 | G | 50.5 | Low | 53.6 | Low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | trans | -120.1 | 145 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 173 | P | 53.1 | Low | 53.4 | Low | 142 Ų | 142 | 137.7 Ų | 137.7 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -75.1 | 132.5 | -170.1 | 29 | -28.9 | 0 | 0 | 0 | 110.7 | ||
| 174 | G | 52.9 | Low | 52.9 | Low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 113.9 | 27.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 175 | L | 56.8 | Low | 52.3 | Low | 166 Ų | 166 | 135.3 Ų | 135.3 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -128.6 | 120.4 | 162.9 | -69.6 | 173.3 | 0 | 0 | 0 | 111 | ||||
| 176 | P | 56.8 | Low | 52 | Low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 143 | 170 | 27.7 | -31.4 | 0 | 0 | 0 | 109.1 | ||
| 177 | P | 57.6 | Low | 51.8 | Low | 111 Ų | 111 | 129.7 Ų | 129.7 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 148 | 174.9 | 25.3 | -32.5 | 0 | 0 | 0 | 109.9 | R179 | P177-R179 PolarHBondContact O-N 3.31Å; P177-R179 VanDerWaalsContact O-N 3.07Å |
| 178 | P | 53.1 | Low | 51.5 | Low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 120.7 | 176.4 | 25.6 | -31.2 | 0 | 0 | 0 | 107.8 | V180 | P178-V180 PolarHBondContact O-N 2.95Š|
| 179 | R | 49 | Very low | 51.1 | Low | 243 Ų | 243 | 125.9 Ų | 125.9 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | trans | -58.7 | 108.7 | 167.4 | -83.1 | -179.5 | -178.7 | 162.1 | 0.6 | 106.8 | P177 | P177-R179 PolarHBondContact O-N 3.31Å; P177-R179 VanDerWaalsContact O-N 3.07Å | ||
| 180 | V | 50.9 | Low | 51.1 | Low | 129 Ų | 129 | 129.4 Ų | 129.4 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 131.7 | 161.9 | -173.3 | 0 | 0 | 0 | 0 | 106.2 | P178 S182 | P178-V180 PolarHBondContact O-N 2.95Å; V180-S182 PolarHBondContact O-N 2.72Å; V180-S182 VanDerWaalsContact O-N 3.08Å |
| 181 | P | 48.1 | Very low | 50.9 | Low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 121.8 | 174.3 | -19.4 | 30.2 | 0 | 0 | 0 | 108 | ||
| 182 | S | 50.5 | Low | 50.6 | Low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 133.3 | 164 | -175.4 | 0 | 0 | 0 | 0 | 107.1 | V180 Q184 | V180-S182 PolarHBondContact O-N 2.72Å; V180-S182 VanDerWaalsContact O-N 3.08Å; S182-Q184 PolarHBondContact O-N 2.84Å |
| 183 | P | 48.8 | Very low | 50.5 | Low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -56.9 | 115.7 | 173.9 | 23 | -30.2 | 0 | 0 | 0 | 106.9 | ||||
| 184 | Q | 49.5 | Very low | 50.2 | Low | 176 Ų | 176 | 134.9 Ų | 134.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -63.4 | 134 | 171 | -70.2 | -160.9 | -13.9 | 0 | 0 | 107.2 | S182 T186 | S182-Q184 PolarHBondContact O-N 2.84Å; Q184-T186 PolarHBondContact O-N 3.45Å | ||
| 185 | P | 46 | Very low | 49.9 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -63 | 115.2 | 171.7 | 25.4 | -29.3 | 0 | 0 | 0 | 107.3 | ||||
| 186 | T | 49.7 | Very low | 49.7 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 133.7 | 169.7 | 31.1 | 0 | 0 | 0 | 0 | 108.8 | Q184 | Q184-T186 PolarHBondContact O-N 3.45Š|
| 187 | P | 51.2 | Low | 49.9 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 137.1 | 172.1 | 27.4 | -31 | 0 | 0 | 0 | 108.4 | G189 | P187-G189 PolarHBondContact O-N 3.3Š|
| 188 | P | 47.7 | Very low | 50.4 | Low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68 | 129 | 178.2 | 27.1 | -30.6 | 0 | 0 | 0 | 109.1 | ||
| 189 | G | 42.8 | Very low | 51.3 | Low | 58 Ų | 58 | 131.9 Ų | 131.9 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 154.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P187 | P187-G189 PolarHBondContact O-N 3.3Š|
| 190 | P | 55.3 | Low | 53 | Low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -68.6 | 146.3 | 175.8 | 33.4 | -31.9 | 0 | 0 | 0 | 107.3 | ||
| 191 | K | 48.3 | Very low | 54.8 | Low | 209 Ų | 209 | 124.1 Ų | 124.1 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | 94.2 | 56 | -176 | -45.3 | -65.3 | 179 | 171.6 | 0 | 115.2 | ||||
| 192 | A | 43.4 | Very low | 56.7 | Low | 95 Ų | 95 | 125.2 Ų | 125.2 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -150.2 | 91.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | E194 | A192-E194 PolarHBondContact O-N 3.28Š| ||
| 193 | K | 48.8 | Very low | 58.6 | Low | 218 Ų | 218 | 128.4 Ų | 128.4 | 95% | 0.948 | 75% | 0.746 | S | S | * | * | trans | -76.6 | 98.2 | 155.7 | -78.7 | -165.7 | 175.2 | -173 | 0 | 105.9 | ||||
| 194 | E | 47.4 | Very low | 60.7 | Low | 177 Ų | 177 | 128.2 Ų | 128.2 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -119.4 | 131.2 | 150.5 | -110.1 | -173.6 | 168.9 | 0 | 0 | 108.1 | A192 G196 | A192-E194 PolarHBondContact O-N 3.28Å; E194-G196 PolarHBondContact O-N 2.86Å | ||
| 195 | P | 46.9 | Very low | 62.7 | Low | 118 Ų | 118 | 124.8 Ų | 124.8 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | trans | -56.1 | 132 | -177.7 | -21.1 | 31.4 | 0 | 0 | 0 | 110.4 | L197 | P195-L197 VanDerWaalsContact C-N 3.33Å; P195-L197 PolarHBondContact O-N 2.88Å | ||
| 196 | G | 52.6 | Low | 64.9 | Low | 82 Ų | 82 | 121.2 Ų | 121.2 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -54.5 | 96.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E194 G198 | E194-G196 PolarHBondContact O-N 2.86Å; G196-G198 PolarHBondContact O-N 3.01Å | ||
| 197 | L | 59.5 | Low | 66.9 | Low | 153 Ų | 153 | 122.6 Ų | 122.6 | 80% | 0.801 | 69% | 0.694 | S | S | * | * | trans | -54.8 | 123.4 | 161.1 | -71.9 | 169.8 | 0 | 0 | 0 | 105.5 | P195 V199 | P195-L197 VanDerWaalsContact C-N 3.33Å; P195-L197 PolarHBondContact O-N 2.88Å; L197-V199 PolarHBondContact O-N 3.24Å | ||
| 198 | G | 68.9 | Low | 68.8 | Low | 82 Ų | 82 | 119.2 Ų | 119.2 | 85% | 0.845 | 68% | 0.676 | S | S | * | * | trans | -60.7 | 72.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G196 D200 | G196-G198 PolarHBondContact O-N 3.01Å; G198-D200 PolarHBondContact O-N 3.08Å | ||
| 199 | V | 72.7 | Confident | 70.7 | Confident | 81 Ų | 81 | 116.6 Ų | 116.6 | 49% | 0.491 | 67% | 0.665 | S | S | . | * | trans | -75.9 | 96.9 | 170.1 | -179 | 0 | 0 | 0 | 0 | 105.7 | L197 F201 | L197-V199 PolarHBondContact O-N 3.24Å; V199-F201 VanDerWaalsContact C-N 3.33Å; V199-F201 HydrophobicContact CG1-CD1 4.45Å; V199-F201 HydrophobicContact CG1-CE1 4.34Å; V199-F201 VanDerWaalsContact O-CD2 3.24Å; V199-F201 WeakPolarHBondContact O-CD2 3.25Å; V199-F201 WeakPolarHBondContact O-CE2 3.48Å; V199-F201 PolarHBondContact O-N 3.3Å | ||
| 200 | D | 85 | Confident | 72.9 | Confident | 65 Ų | 65 | 122.7 Ų | 122.7 | 35% | 0.348 | 68% | 0.675 | S | S | . | * | trans | -65.1 | 96.3 | 170.5 | -178.5 | -13.6 | 0 | 0 | 0 | 108.4 | G198 I202 R203 H204 | G198-D200 PolarHBondContact O-N 3.08Å; D200-I202 PolarHBondContact O-N 3.26Å; D200-I202 WeakPolarHBondContact OD1-CA 3.5Å; D200-I202 VanDerWaalsContact OD1-CB 3.23Å; D200-I202 WeakPolarHBondContact OD1-CB 3.38Å; D200-I202 PolarHBondContact OD1-N 3.18Å; D200-R203 HydrophobicContact CB-CB 4.03Å; D200-R203 HydrophobicContact CB-CG 4.19Å; D200-R203 PolarHBondContact O-N 3.34Å; D200-R203 VanDerWaalsContact O-N 3.09Å; D200-R203 PolarHBondContact OD1-N 3.1Å; D200-R203 VanDerWaalsContact OD1-N 3.13Å; D200-R203 WeakPolarHBondContact OD2-CD 3.39Å; D200-R203 WeakPolarHBondContact OD2-CG 3.26Å; D200-R203 IonicContact OD2-CZ 3.95Å; D200-R203 IonicContact OD2-NE 2.72Å; D200-R203 PolarHBondContact OD2-NE 3.34Å; D200-H204 PolarHBondContact O-N 2.99Å | ||
| 201 | F | 86.8 | Confident | 74.4 | Confident | 145 Ų | 145 | 126.5 Ų | 126.5 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -59.6 | -24.2 | 179.7 | -65.9 | -78.2 | 0 | 0 | 0 | 112.4 | V199 N205 | V199-F201 VanDerWaalsContact C-N 3.33Å; V199-F201 HydrophobicContact CG1-CD1 4.45Å; V199-F201 HydrophobicContact CG1-CE1 4.34Å; V199-F201 VanDerWaalsContact O-CD2 3.24Å; V199-F201 WeakPolarHBondContact O-CD2 3.25Å; V199-F201 WeakPolarHBondContact O-CE2 3.48Å; V199-F201 PolarHBondContact O-N 3.3Å; F201-N205 VanDerWaalsContact O-CB 3.25Å; F201-N205 WeakPolarHBondContact O-CB 3.36Å; F201-N205 PolarHBondContact O-N 3.49Å; F201-N205 PolarHBondContact O-ND2 3.32Å |
| 202 | I | 89.8 | Confident | 76.1 | Confident | 138 Ų | 138 | 119.2 Ų | 119.2 | 71% | 0.708 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.7 | -49 | 175.3 | -53.4 | 175.6 | 0 | 0 | 0 | 108.8 | D200 H204 N205 A206 | D200-I202 PolarHBondContact O-N 3.26Å; D200-I202 WeakPolarHBondContact OD1-CA 3.5Å; D200-I202 VanDerWaalsContact OD1-CB 3.23Å; D200-I202 WeakPolarHBondContact OD1-CB 3.38Å; D200-I202 PolarHBondContact OD1-N 3.18Å; I202-H204 VanDerWaalsContact C-N 3.34Å; I202-H204 PolarHBondContact O-N 3.36Å; I202-N205 PolarHBondContact O-N 3.42Å; I202-A206 VanDerWaalsContact O-CB 3.24Å; I202-A206 WeakPolarHBondContact O-CB 3.31Å; I202-A206 PolarHBondContact O-N 2.96Å |
| 203 | R | 90.6 | Very high | 78 | Confident | 164 Ų | 164 | 119.9 Ų | 119.9 | 62% | 0.619 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.1 | -39.1 | 173.9 | -74.3 | 174.6 | -169.2 | -164.1 | -3.7 | 112.2 | D200 R207 | D200-R203 HydrophobicContact CB-CB 4.03Å; D200-R203 HydrophobicContact CB-CG 4.19Å; D200-R203 PolarHBondContact O-N 3.34Å; D200-R203 VanDerWaalsContact O-N 3.09Å; D200-R203 PolarHBondContact OD1-N 3.1Å; D200-R203 VanDerWaalsContact OD1-N 3.13Å; D200-R203 WeakPolarHBondContact OD2-CD 3.39Å; D200-R203 WeakPolarHBondContact OD2-CG 3.26Å; D200-R203 IonicContact OD2-CZ 3.95Å; D200-R203 IonicContact OD2-NE 2.72Å; D200-R203 PolarHBondContact OD2-NE 3.34Å; R203-R207 WeakPolarHBondContact O-CB 3.16Å; R203-R207 WeakPolarHBondContact O-CG 3.44Å; R203-R207 PolarHBondContact O-N 3.3Å |
| 204 | H | 91.1 | Very high | 79.4 | Confident | 111 Ų | 111 | 120.7 Ų | 120.7 | 51% | 0.514 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.7 | -49.4 | 177.9 | -176.6 | 77.7 | 0 | 0 | 0 | 111.6 | D200 I202 R207 A208 | D200-H204 PolarHBondContact O-N 2.99Å; I202-H204 VanDerWaalsContact C-N 3.34Å; I202-H204 PolarHBondContact O-N 3.36Å; H204-R207 PolarHBondContact O-N 3.21Å; H204-A208 WeakPolarHBondContact O-CB 3.3Å; H204-A208 PolarHBondContact O-N 3.42Å |
| 205 | N | 92.3 | Very high | 80.9 | Confident | 105 Ų | 105 | 123.7 Ų | 123.7 | 56% | 0.561 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.3 | -39.4 | 176.6 | -82.3 | -49 | 0 | 0 | 0 | 112.5 | F201 I202 R207 A208 A209 | F201-N205 VanDerWaalsContact O-CB 3.25Å; F201-N205 WeakPolarHBondContact O-CB 3.36Å; F201-N205 PolarHBondContact O-N 3.49Å; F201-N205 PolarHBondContact O-ND2 3.32Å; I202-N205 PolarHBondContact O-N 3.42Å; N205-R207 VanDerWaalsContact C-N 3.32Å; N205-R207 PolarHBondContact O-N 3.26Å; N205-A208 PolarHBondContact O-N 3.22Å; N205-A209 VanDerWaalsContact O-CB 3.28Å; N205-A209 WeakPolarHBondContact O-CB 3.32Å; N205-A209 PolarHBondContact O-N 3.5Å |
| 206 | A | 92.4 | Very high | 82.4 | Confident | 48 Ų | 48 | 123.7 Ų | 123.7 | 40% | 0.397 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.3 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I202 K210 | I202-A206 VanDerWaalsContact O-CB 3.24Å; I202-A206 WeakPolarHBondContact O-CB 3.31Å; I202-A206 PolarHBondContact O-N 2.96Å; A206-K210 WeakPolarHBondContact O-CB 3.29Å; A206-K210 VanDerWaalsContact O-CG 3.25Å; A206-K210 WeakPolarHBondContact O-CG 3.48Å; A206-K210 PolarHBondContact O-N 2.94Å |
| 207 | R | 91.1 | Very high | 84 | Confident | 158 Ų | 158 | 122.4 Ų | 122.4 | 60% | 0.596 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.7 | -41.2 | 174.1 | -73.8 | 172.6 | -179.9 | -176.2 | 0.2 | 111.7 | R203 H204 N205 K210 R211 | R203-R207 WeakPolarHBondContact O-CB 3.16Å; R203-R207 WeakPolarHBondContact O-CG 3.44Å; R203-R207 PolarHBondContact O-N 3.3Å; H204-R207 PolarHBondContact O-N 3.21Å; N205-R207 VanDerWaalsContact C-N 3.32Å; N205-R207 PolarHBondContact O-N 3.26Å; R207-K210 PolarHBondContact O-N 3.13Å; R207-R211 WeakPolarHBondContact O-CB 3.34Å; R207-R211 VanDerWaalsContact O-CG 3.28Å; R207-R211 WeakPolarHBondContact O-CG 3.26Å; R207-R211 PolarHBondContact O-N 3.35Å; R207-R211 VanDerWaalsContact O-N 3.08Å |
| 208 | A | 91.1 | Very high | 85.3 | Confident | 45 Ų | 45 | 125.5 Ų | 125.5 | 37% | 0.372 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.6 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H204 N205 R211 A212 | H204-A208 WeakPolarHBondContact O-CB 3.3Å; H204-A208 PolarHBondContact O-N 3.42Å; N205-A208 PolarHBondContact O-N 3.22Å; A208-R211 CarbonylContact O-C 3.56Å; A208-R211 PolarHBondContact O-N 2.98Å; A208-A212 WeakPolarHBondContact O-CB 3.33Å; A208-A212 PolarHBondContact O-N 2.79Å |
| 209 | A | 87.9 | Confident | 86.4 | Confident | 73 Ų | 73 | 125.7 Ų | 125.7 | 60% | 0.603 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.3 | -39 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | N205 R211 A212 | N205-A209 VanDerWaalsContact O-CB 3.28Å; N205-A209 WeakPolarHBondContact O-CB 3.32Å; N205-A209 PolarHBondContact O-N 3.5Å; A209-R211 VanDerWaalsContact C-N 3.29Å; A209-R211 PolarHBondContact O-N 2.95Å; A209-A212 PolarHBondContact O-N 3.41Å |
| 210 | K | 88.5 | Confident | 87.1 | Confident | 186 Ų | 186 | 125.8 Ų | 125.8 | 81% | 0.809 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.6 | -32 | 173.3 | -76.9 | 178.7 | -179.2 | -172.8 | 0 | 112.9 | A206 R207 | A206-K210 WeakPolarHBondContact O-CB 3.29Å; A206-K210 VanDerWaalsContact O-CG 3.25Å; A206-K210 WeakPolarHBondContact O-CG 3.48Å; A206-K210 PolarHBondContact O-N 2.94Å; R207-K210 PolarHBondContact O-N 3.13Å |
| 211 | R | 88.1 | Confident | 87.3 | Confident | 204 Ų | 204 | 127.2 Ų | 127.2 | 77% | 0.77 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -89 | -16.1 | 179.6 | -70.7 | 174.7 | 178.8 | 170.2 | -2.2 | 113.4 | R207 A208 A209 | R207-R211 WeakPolarHBondContact O-CB 3.34Å; R207-R211 VanDerWaalsContact O-CG 3.28Å; R207-R211 WeakPolarHBondContact O-CG 3.26Å; R207-R211 PolarHBondContact O-N 3.35Å; R207-R211 VanDerWaalsContact O-N 3.08Å; A208-R211 CarbonylContact O-C 3.56Å; A208-R211 PolarHBondContact O-N 2.98Å; A209-R211 VanDerWaalsContact C-N 3.29Å; A209-R211 PolarHBondContact O-N 2.95Å |
| 212 | A | 84 | Confident | 87.7 | Confident | 56 Ų | 56 | 124.3 Ų | 124.3 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -64.6 | 125.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A208 A209 R214 | A208-A212 WeakPolarHBondContact O-CB 3.33Å; A208-A212 PolarHBondContact O-N 2.79Å; A209-A212 PolarHBondContact O-N 3.41Å; A212-R214 PolarHBondContact O-N 3.36Å |
| 213 | P | 82.5 | Confident | 87.9 | Confident | 108 Ų | 108 | 122.3 Ų | 122.3 | 70% | 0.701 | 59% | 0.593 | S | S | * | * | trans | -64.1 | 131.2 | 178.3 | 26.4 | -33.4 | 0 | 0 | 0 | 109.3 | R215 | P213-R215 PolarHBondContact O-N 2.94Š| ||
| 214 | R | 79.3 | Confident | 88 | Confident | 236 Ų | 236 | 117.1 Ų | 117.1 | 89% | 0.891 | 59% | 0.585 | S | S | * | * | trans | -63.9 | 111.3 | 174 | -63.1 | -177.4 | 93.9 | -168.1 | 7.7 | 108 | A212 H216 | A212-R214 PolarHBondContact O-N 3.36Å; R214-H216 PolarHBondContact O-N 2.91Å; R214-H216 VanDerWaalsContact O-N 3.15Å | ||
| 215 | R | 77.9 | Confident | 88.2 | Confident | 240 Ų | 240 | 117 Ų | 117 | 91% | 0.906 | 58% | 0.584 | S | S | * | * | trans | -73.2 | 106.7 | 174.7 | -66.5 | -174.6 | 177.5 | -166.1 | -1 | 108.3 | P213 | P213-R215 PolarHBondContact O-N 2.94Š| ||
| 216 | H | 77.4 | Confident | 88.4 | Confident | 118 Ų | 118 | 114.8 Ų | 114.8 | 55% | 0.546 | 57% | 0.574 | S | S | . | * | trans | -64.3 | 145.3 | 170.6 | -90.2 | -75.5 | 0 | 0 | 0 | 110.6 | R214 L220 Q221 | R214-H216 PolarHBondContact O-N 2.91Å; R214-H216 VanDerWaalsContact O-N 3.15Å; H216-L220 HydrophobicContact CB-CB 4.42Å; H216-L220 WeakPolarHBondContact ND1-CD1 3.4Å; H216-Q221 HydrophobicContact CB-CG 4.11Å; H216-Q221 PolarHBondContact O-NE2 2.88Å | ||
| 217 | S | 87.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 117.3 Ų | 117.3 | 39% | 0.385 | 58% | 0.581 | S | S | . | * | trans | -59.1 | 149.8 | 171.9 | 64 | 0 | 0 | 0 | 0 | 110.2 | S219 L220 Q221 | S217-S219 PolarHBondContact O-N 3.38Å; S217-S219 PolarHBondContact OG-OG 2.93Å; S217-L220 PolarHBondContact O-N 3.45Å; S217-L220 VanDerWaalsContact OG-CG 3.31Å; S217-L220 WeakPolarHBondContact OG-CG 3.36Å; S217-L220 PolarHBondContact OG-N 3.19Å; S217-Q221 PolarHBondContact O-N 3.46Å; S217-Q221 VanDerWaalsContact O-N 3.12Å | ||
| 218 | R | 87.3 | Confident | 88.9 | Confident | 218 Ų | 218 | 114.2 Ų | 114.2 | 82% | 0.823 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56.2 | -34.3 | 177.1 | -67.9 | -173.2 | 176.1 | -146.6 | -0.3 | 112.1 | Q221 V222 | R218-Q221 PolarHBondContact O-N 2.85Å; R218-V222 VanDerWaalsContact O-CG2 3.28Å; R218-V222 WeakPolarHBondContact O-CG2 3.22Å; R218-V222 PolarHBondContact O-N 2.86Å |
| 219 | S | 90.2 | Very high | 89.2 | Confident | 85 Ų | 85 | 117.8 Ų | 117.8 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.5 | -40.9 | 175.8 | 52 | 0 | 0 | 0 | 0 | 113.3 | S217 V222 L223 | S217-S219 PolarHBondContact O-N 3.38Å; S217-S219 PolarHBondContact OG-OG 2.93Å; S219-V222 PolarHBondContact O-N 3.43Å; S219-L223 PolarHBondContact O-N 3.4Å |
| 220 | L | 89 | Confident | 89.7 | Confident | 83 Ų | 83 | 120.2 Ų | 120.2 | 44% | 0.435 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.5 | -34.9 | 177.2 | -70.7 | 175.2 | 0 | 0 | 0 | 112 | H216 S217 L223 A224 | H216-L220 HydrophobicContact CB-CB 4.42Å; H216-L220 WeakPolarHBondContact ND1-CD1 3.4Å; S217-L220 PolarHBondContact O-N 3.45Å; S217-L220 VanDerWaalsContact OG-CG 3.31Å; S217-L220 WeakPolarHBondContact OG-CG 3.36Å; S217-L220 PolarHBondContact OG-N 3.19Å; L220-L223 PolarHBondContact O-N 3.12Å; L220-A224 WeakPolarHBondContact O-CB 3.16Å; L220-A224 PolarHBondContact O-N 2.87Å |
| 221 | Q | 89.1 | Confident | 90.1 | Very high | 96 Ų | 96 | 117.7 Ų | 117.7 | 45% | 0.449 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.6 | -43 | 173.9 | -64.7 | 176.1 | 18.8 | 0 | 0 | 111.4 | H216 S217 R218 A224 Q225 | H216-Q221 HydrophobicContact CB-CG 4.11Å; H216-Q221 PolarHBondContact O-NE2 2.88Å; S217-Q221 PolarHBondContact O-N 3.46Å; S217-Q221 VanDerWaalsContact O-N 3.12Å; R218-Q221 PolarHBondContact O-N 2.85Å; Q221-A224 PolarHBondContact O-N 2.82Å; Q221-Q225 WeakPolarHBondContact O-CG 3.39Å; Q221-Q225 PolarHBondContact O-N 3.35Å |
| 222 | V | 93.6 | Very high | 90.5 | Very high | 83 Ų | 83 | 112.7 Ų | 112.7 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -42.6 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | R218 S219 A224 Q225 V226 | R218-V222 VanDerWaalsContact O-CG2 3.28Å; R218-V222 WeakPolarHBondContact O-CG2 3.22Å; R218-V222 PolarHBondContact O-N 2.86Å; S219-V222 PolarHBondContact O-N 3.43Å; V222-A224 VanDerWaalsContact C-N 3.35Å; V222-A224 PolarHBondContact O-N 3.08Å; V222-Q225 PolarHBondContact O-N 3.47Å; V222-V226 WeakPolarHBondContact O-CG2 3.25Å; V222-V226 PolarHBondContact O-N 3.06Å |
| 223 | L | 94 | Very high | 91.1 | Very high | 97 Ų | 97 | 113 Ų | 113 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -43.4 | 176.3 | -174.8 | 67 | 0 | 0 | 0 | 111.8 | S219 L220 Q225 V226 L227 | S219-L223 PolarHBondContact O-N 3.4Å; L220-L223 PolarHBondContact O-N 3.12Å; L223-Q225 VanDerWaalsContact C-N 3.34Å; L223-Q225 PolarHBondContact O-N 2.87Å; L223-V226 PolarHBondContact O-N 3.15Å; L223-L227 HydrophobicContact CG-CD1 4.38Å; L223-L227 WeakPolarHBondContact O-CG 3.47Å; L223-L227 PolarHBondContact O-N 3.23Å |
| 224 | A | 93.4 | Very high | 91.7 | Very high | 55 Ų | 55 | 113 Ų | 113 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L220 Q221 V222 V226 L227 E228 | L220-A224 WeakPolarHBondContact O-CB 3.16Å; L220-A224 PolarHBondContact O-N 2.87Å; Q221-A224 PolarHBondContact O-N 2.82Å; V222-A224 VanDerWaalsContact C-N 3.35Å; V222-A224 PolarHBondContact O-N 3.08Å; A224-V226 PolarHBondContact O-N 2.83Å; A224-L227 PolarHBondContact O-N 3Å; A224-E228 WeakPolarHBondContact O-CB 3.4Å; A224-E228 PolarHBondContact O-N 2.98Å |
| 225 | Q | 95.7 | Very high | 92.5 | Very high | 109 Ų | 109 | 106.6 Ų | 106.6 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.1 | -72.7 | 174.4 | 5.9 | 0 | 0 | 112.3 | Q221 V222 L223 E228 Q229 | Q221-Q225 WeakPolarHBondContact O-CG 3.39Å; Q221-Q225 PolarHBondContact O-N 3.35Å; V222-Q225 PolarHBondContact O-N 3.47Å; L223-Q225 VanDerWaalsContact C-N 3.34Å; L223-Q225 PolarHBondContact O-N 2.87Å; Q225-E228 PolarHBondContact O-N 3.03Å; Q225-Q229 VanDerWaalsContact O-CG 3.3Å; Q225-Q229 WeakPolarHBondContact O-CG 3.48Å; Q225-Q229 PolarHBondContact O-N 3.43Å |
| 226 | V | 97.3 | Very high | 93.3 | Very high | 58 Ų | 58 | 101 Ų | 101 | 35% | 0.352 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 178.1 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | V222 L223 A224 E228 Q229 Q230 | V222-V226 WeakPolarHBondContact O-CG2 3.25Å; V222-V226 PolarHBondContact O-N 3.06Å; L223-V226 PolarHBondContact O-N 3.15Å; A224-V226 PolarHBondContact O-N 2.83Å; V226-E228 VanDerWaalsContact C-N 3.34Å; V226-Q229 PolarHBondContact O-N 3.41Å; V226-Q230 WeakPolarHBondContact O-CG 3.34Å; V226-Q230 PolarHBondContact O-N 3Å |
| 227 | L | 97.3 | Very high | 94.1 | Very high | 100 Ų | 100 | 100.7 Ų | 100.7 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 176.9 | -70 | 174.2 | 0 | 0 | 0 | 111.8 | L223 A224 Q230 R231 | L223-L227 HydrophobicContact CG-CD1 4.38Å; L223-L227 WeakPolarHBondContact O-CG 3.47Å; L223-L227 PolarHBondContact O-N 3.23Å; A224-L227 PolarHBondContact O-N 3Å; L227-Q230 PolarHBondContact O-N 3.12Å; L227-R231 PolarHBondContact O-N 3.26Å |
| 228 | E | 97 | Very high | 94.4 | Very high | 93 Ų | 93 | 101.1 Ų | 101.1 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 176.2 | -175 | 160.9 | -145.3 | 0 | 0 | 112.1 | A224 Q225 V226 Q230 R231 Q232 | A224-E228 WeakPolarHBondContact O-CB 3.4Å; A224-E228 PolarHBondContact O-N 2.98Å; Q225-E228 PolarHBondContact O-N 3.03Å; V226-E228 VanDerWaalsContact C-N 3.34Å; E228-Q230 VanDerWaalsContact C-N 3.34Å; E228-Q230 PolarHBondContact O-N 3.47Å; E228-R231 PolarHBondContact O-N 3.5Å; E228-R231 IonicContact OE1-NH2 3.14Å; E228-Q232 WeakPolarHBondContact O-CG 3.31Å; E228-Q232 PolarHBondContact O-N 2.99Å |
| 229 | Q | 97.3 | Very high | 94.7 | Very high | 121 Ų | 121 | 94.9 Ų | 94.9 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 173.5 | -73.6 | 174 | 11.2 | 0 | 0 | 112.1 | Q225 V226 Q232 A233 | Q225-Q229 VanDerWaalsContact O-CG 3.3Å; Q225-Q229 WeakPolarHBondContact O-CG 3.48Å; Q225-Q229 PolarHBondContact O-N 3.43Å; V226-Q229 PolarHBondContact O-N 3.41Å; Q229-Q232 PolarHBondContact O-N 2.9Å; Q229-A233 WeakPolarHBondContact O-CB 3.48Å; Q229-A233 PolarHBondContact O-N 3.28Å |
| 230 | Q | 97.2 | Very high | 94.7 | Very high | 123 Ų | 123 | 94.4 Ų | 94.4 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 175.2 | -74.7 | -179.4 | 21.2 | 0 | 0 | 111.8 | V226 L227 E228 A233 Q234 | V226-Q230 WeakPolarHBondContact O-CG 3.34Å; V226-Q230 PolarHBondContact O-N 3Å; L227-Q230 PolarHBondContact O-N 3.12Å; E228-Q230 VanDerWaalsContact C-N 3.34Å; E228-Q230 PolarHBondContact O-N 3.47Å; Q230-A233 PolarHBondContact O-N 3.25Å; Q230-Q234 WeakPolarHBondContact O-CB 3.31Å; Q230-Q234 PolarHBondContact O-N 2.89Å |
| 231 | R | 97.4 | Very high | 94.6 | Very high | 133 Ų | 133 | 96 Ų | 96 | 50% | 0.502 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 176.3 | -168 | -172.1 | 73.9 | -148.2 | -10.5 | 111.1 | L227 E228 A233 Q234 E235 | L227-R231 PolarHBondContact O-N 3.26Å; E228-R231 PolarHBondContact O-N 3.5Å; E228-R231 IonicContact OE1-NH2 3.14Å; R231-A233 PolarHBondContact O-N 2.89Å; R231-Q234 WeakPolarHBondContact O-CB 3.16Å; R231-Q234 PolarHBondContact O-N 3Å; R231-E235 WeakPolarHBondContact CD-OE1 3.31Å; R231-E235 WeakPolarHBondContact CG-OE1 3.25Å; R231-E235 IonicContact NE-OE1 3.06Å; R231-E235 PolarHBondContact NE-OE1 3.28Å; R231-E235 WeakPolarHBondContact O-CG 3.37Å; R231-E235 PolarHBondContact O-N 3.29Å |
| 232 | Q | 97.1 | Very high | 94.8 | Very high | 100 Ų | 100 | 98 Ų | 98 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.8 | -70.6 | 173.7 | -1 | 0 | 0 | 112.2 | E228 Q229 Q234 E235 H236 | E228-Q232 WeakPolarHBondContact O-CG 3.31Å; E228-Q232 PolarHBondContact O-N 2.99Å; Q229-Q232 PolarHBondContact O-N 2.9Å; Q232-Q234 VanDerWaalsContact C-N 3.31Å; Q232-Q234 PolarHBondContact O-N 3.24Å; Q232-E235 PolarHBondContact O-N 3.39Å; Q232-H236 WeakPolarHBondContact O-CB 3.33Å; Q232-H236 PolarHBondContact O-N 3.28Å |
| 233 | A | 95.9 | Very high | 94.7 | Very high | 63 Ų | 63 | 97.9 Ų | 97.9 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q229 Q230 R231 H236 Y237 | Q229-A233 WeakPolarHBondContact O-CB 3.48Å; Q229-A233 PolarHBondContact O-N 3.28Å; Q230-A233 PolarHBondContact O-N 3.25Å; R231-A233 PolarHBondContact O-N 2.89Å; A233-H236 PolarHBondContact O-N 3.49Å; A233-Y237 WeakPolarHBondContact O-CB 3.41Å; A233-Y237 PolarHBondContact O-N 3.27Å |
| 234 | Q | 95.2 | Very high | 94.6 | Very high | 107 Ų | 107 | 99.8 Ų | 99.8 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 176.3 | -170.9 | 67.6 | 50.3 | 0 | 0 | 111.8 | Q230 R231 Q232 Y237 N238 | Q230-Q234 WeakPolarHBondContact O-CB 3.31Å; Q230-Q234 PolarHBondContact O-N 2.89Å; R231-Q234 WeakPolarHBondContact O-CB 3.16Å; R231-Q234 PolarHBondContact O-N 3Å; Q232-Q234 VanDerWaalsContact C-N 3.31Å; Q232-Q234 PolarHBondContact O-N 3.24Å; Q234-Y237 PolarHBondContact O-N 3.41Å; Q234-N238 PolarHBondContact NE2-OD1 3.15Å; Q234-N238 WeakPolarHBondContact O-CB 3.36Å; Q234-N238 PolarHBondContact O-N 2.93Å; Q234-N238 PolarHBondContact O-ND2 3.47Å |
| 235 | E | 95.7 | Very high | 94.6 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 174.5 | -73.7 | 166.6 | -173.8 | 0 | 0 | 110.9 | R231 Q232 Y237 N238 A239 | R231-E235 WeakPolarHBondContact CD-OE1 3.31Å; R231-E235 WeakPolarHBondContact CG-OE1 3.25Å; R231-E235 IonicContact NE-OE1 3.06Å; R231-E235 PolarHBondContact NE-OE1 3.28Å; R231-E235 WeakPolarHBondContact O-CG 3.37Å; R231-E235 PolarHBondContact O-N 3.29Å; Q232-E235 PolarHBondContact O-N 3.39Å; E235-Y237 PolarHBondContact O-N 2.94Å; E235-N238 PolarHBondContact O-N 3.02Å; E235-A239 WeakPolarHBondContact O-CB 3.26Å; E235-A239 PolarHBondContact O-N 2.98Å |
| 236 | H | 95.6 | Very high | 94.6 | Very high | 123 Ų | 123 | 98.1 Ų | 98.1 | 57% | 0.569 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -46.4 | 176.5 | -179.9 | -84.2 | 0 | 0 | 0 | 112.1 | Q232 A233 N238 A239 T240 | Q232-H236 WeakPolarHBondContact O-CB 3.33Å; Q232-H236 PolarHBondContact O-N 3.28Å; A233-H236 PolarHBondContact O-N 3.49Å; H236-N238 VanDerWaalsContact C-N 3.35Å; H236-N238 PolarHBondContact O-N 3.43Å; H236-A239 PolarHBondContact O-N 3.15Å; H236-T240 PolarHBondContact O-N 3.02Å; H236-T240 PolarHBondContact O-OG1 3.04Å |
| 237 | Y | 94 | Very high | 94.5 | Very high | 111 Ų | 111 | 101.5 Ų | 101.5 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 175.7 | 174 | -94.6 | 0 | 0 | 0 | 111.8 | A233 Q234 E235 A239 T240 Q241 K242 | A233-Y237 WeakPolarHBondContact O-CB 3.41Å; A233-Y237 PolarHBondContact O-N 3.27Å; Q234-Y237 PolarHBondContact O-N 3.41Å; E235-Y237 PolarHBondContact O-N 2.94Å; Y237-A239 VanDerWaalsContact C-N 3.28Å; Y237-A239 PolarHBondContact O-N 3Å; Y237-T240 PolarHBondContact O-N 2.92Å; Y237-Q241 HydrophobicContact CD2-CB 3.77Å; Y237-Q241 HydrophobicContact CD2-CG 4.34Å; Y237-Q241 VanDerWaalsContact CD2-OE1 3.26Å; Y237-Q241 HydrophobicContact CE2-CB 3.69Å; Y237-Q241 VanDerWaalsContact CE2-OE1 3.27Å; Y237-Q241 PolarHBondContact O-N 3.4Å; Y237-K242 HydrophobicContact CE1-CB 4.25Å; Y237-K242 PolarHBondContact O-N 3.49Å |
| 238 | N | 93.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 103 Ų | 103 | 35% | 0.348 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -33.9 | 178.6 | -71.4 | -22.7 | 0 | 0 | 0 | 112.4 | Q234 E235 H236 K242 | Q234-N238 PolarHBondContact NE2-OD1 3.15Å; Q234-N238 WeakPolarHBondContact O-CB 3.36Å; Q234-N238 PolarHBondContact O-N 2.93Å; Q234-N238 PolarHBondContact O-ND2 3.47Å; E235-N238 PolarHBondContact O-N 3.02Å; H236-N238 VanDerWaalsContact C-N 3.35Å; H236-N238 PolarHBondContact O-N 3.43Å; N238-K242 HydrophobicContact CB-CD 4.25Å; N238-K242 WeakPolarHBondContact O-CB 3.48Å; N238-K242 WeakPolarHBondContact OD1-CD 3.35Å |
| 239 | A | 93 | Very high | 94.5 | Very high | 87 Ų | 87 | 102 Ų | 102 | 72% | 0.719 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -78.9 | -33.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E235 H236 Y237 | E235-A239 WeakPolarHBondContact O-CB 3.26Å; E235-A239 PolarHBondContact O-N 2.98Å; H236-A239 PolarHBondContact O-N 3.15Å; Y237-A239 VanDerWaalsContact C-N 3.28Å; Y237-A239 PolarHBondContact O-N 3Å |
| 240 | T | 90 | Very high | 94.5 | Very high | 74 Ų | 74 | 98.9 Ų | 98.9 | 45% | 0.454 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -104.3 | -47.1 | -170.9 | 51 | 0 | 0 | 0 | 0 | 114.3 | H236 Y237 | H236-T240 PolarHBondContact O-N 3.02Å; H236-T240 PolarHBondContact O-OG1 3.04Å; Y237-T240 PolarHBondContact O-N 2.92Å |
| 241 | Q | 87.2 | Confident | 94.5 | Very high | 116 Ų | 116 | 97.7 Ų | 97.7 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -28.1 | -167 | -65.4 | -177.8 | 8.5 | 0 | 0 | 112.9 | Y237 G243 H244 | Y237-Q241 HydrophobicContact CD2-CB 3.77Å; Y237-Q241 HydrophobicContact CD2-CG 4.34Å; Y237-Q241 VanDerWaalsContact CD2-OE1 3.26Å; Y237-Q241 HydrophobicContact CE2-CB 3.69Å; Y237-Q241 VanDerWaalsContact CE2-OE1 3.27Å; Y237-Q241 PolarHBondContact O-N 3.4Å; Q241-G243 PolarHBondContact O-N 3.35Å; Q241-H244 WeakPolarHBondContact O-CB 3.4Å; Q241-H244 PolarHBondContact O-N 3.07Å |
| 242 | K | 92.9 | Very high | 94.6 | Very high | 140 Ų | 140 | 97.7 Ų | 97.7 | 61% | 0.609 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 122.8 | -178.5 | -176.2 | 177.9 | 179.3 | -178.3 | 0 | 110.6 | Y237 N238 H244 | Y237-K242 HydrophobicContact CE1-CB 4.25Å; Y237-K242 PolarHBondContact O-N 3.49Å; N238-K242 HydrophobicContact CB-CD 4.25Å; N238-K242 WeakPolarHBondContact O-CB 3.48Å; N238-K242 WeakPolarHBondContact OD1-CD 3.35Å; K242-H244 VanDerWaalsContact C-N 3.26Å; K242-H244 PolarHBondContact O-N 3.22Å |
| 243 | G | 90.9 | Very high | 94.6 | Very high | 79 Ų | 79 | 99 Ų | 99 | 81% | 0.814 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -2.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q241 | Q241-G243 PolarHBondContact O-N 3.35Š|
| 244 | H | 93.4 | Very high | 94.7 | Very high | 138 Ų | 138 | 98.6 Ų | 98.6 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 130.4 | 173.4 | -162.3 | 66.9 | 0 | 0 | 0 | 110.2 | Q241 K242 P246 | Q241-H244 WeakPolarHBondContact O-CB 3.4Å; Q241-H244 PolarHBondContact O-N 3.07Å; K242-H244 VanDerWaalsContact C-N 3.26Å; K242-H244 PolarHBondContact O-N 3.22Å; H244-P246 WeakPolarHBondContact O-CD 3.45Å |
| 245 | V | 93.6 | Very high | 94.8 | Very high | 68 Ų | 68 | 98 Ų | 98 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 127 | 177.8 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | H247 L249 L250 | V245-H247 PolarHBondContact O-N 3.25Å; V245-L249 HydrophobicContact CG1-CB 3.75Å; V245-L249 HydrophobicContact CG1-CD1 4.04Å; V245-L250 HydrophobicContact CB-CD2 4.37Å; V245-L250 HydrophobicContact CG1-CD2 4.16Å; V245-L250 HydrophobicContact CG1-CG 4.25Å |
| 246 | P | 95.7 | Very high | 94.9 | Very high | 60 Ų | 60 | 101 Ų | 101 | 39% | 0.39 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 139.5 | 175.1 | -29.3 | 34.7 | 0 | 0 | 0 | 112.9 | H244 Y248 L249 | H244-P246 WeakPolarHBondContact O-CD 3.45Å; P246-Y248 VanDerWaalsContact C-N 3.26Å; P246-Y248 HydrophobicContact CB-CD1 3.51Å; P246-Y248 HydrophobicContact CB-CE1 3.19Å; P246-Y248 HydrophobicContact CG-CE1 3.93Å; P246-Y248 PolarHBondContact O-N 3.47Å; P246-Y248 VanDerWaalsContact O-N 3.15Å; P246-L249 HydrophobicContact CG-CD1 4.48Å; P246-L249 WeakPolarHBondContact O-CB 3.44Å; P246-L249 PolarHBondContact O-N 2.89Å |
| 247 | H | 95.2 | Very high | 95 | Very high | 129 Ų | 129 | 99.8 Ų | 99.8 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -52.3 | -42.4 | -174.1 | -169.2 | 62.9 | 0 | 0 | 0 | 113.5 | V245 L249 L250 E251 | V245-H247 PolarHBondContact O-N 3.25Å; H247-L249 PolarHBondContact O-N 3.22Å; H247-L249 VanDerWaalsContact O-N 3.15Å; H247-L250 WeakPolarHBondContact O-CB 3.49Å; H247-L250 PolarHBondContact O-N 2.96Å; H247-E251 VanDerWaalsContact CD2-CD 3.47Å; H247-E251 IonicContact CD2-OE1 3.63Å; H247-E251 PolarHBondContact CD2-OE1 3.45Å; H247-E251 IonicContact NE2-OE1 2.69Å; H247-E251 PolarHBondContact NE2-OE1 2.93Å; H247-E251 VanDerWaalsContact NE2-OE1 3.08Å; H247-E251 PolarHBondContact O-N 3.42Å |
| 248 | Y | 96.7 | Very high | 95.1 | Very high | 132 Ų | 132 | 102.4 Ų | 102.4 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.3 | -26.2 | -179.1 | 74.4 | -93.2 | 0 | 0 | 0 | 114 | P246 R252 | P246-Y248 VanDerWaalsContact C-N 3.26Å; P246-Y248 HydrophobicContact CB-CD1 3.51Å; P246-Y248 HydrophobicContact CB-CE1 3.19Å; P246-Y248 HydrophobicContact CG-CE1 3.93Å; P246-Y248 PolarHBondContact O-N 3.47Å; P246-Y248 VanDerWaalsContact O-N 3.15Å; Y248-R252 WeakPolarHBondContact O-CB 3.49Å; Y248-R252 PolarHBondContact O-N 2.88Å |
| 249 | L | 97.3 | Very high | 95.2 | Very high | 73 Ų | 73 | 103.5 Ų | 103.5 | 38% | 0.382 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -76.5 | -34.7 | 175.8 | -68.6 | 178.6 | 0 | 0 | 0 | 111.4 | V245 P246 H247 R252 R253 | V245-L249 HydrophobicContact CG1-CB 3.75Å; V245-L249 HydrophobicContact CG1-CD1 4.04Å; P246-L249 HydrophobicContact CG-CD1 4.48Å; P246-L249 WeakPolarHBondContact O-CB 3.44Å; P246-L249 PolarHBondContact O-N 2.89Å; H247-L249 PolarHBondContact O-N 3.22Å; H247-L249 VanDerWaalsContact O-N 3.15Å; L249-R252 PolarHBondContact O-N 3.23Å; L249-R253 PolarHBondContact O-N 2.95Å |
| 250 | L | 96.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 101.3 Ų | 101.3 | 29% | 0.288 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -50.8 | 173.6 | -60.7 | 173.7 | 0 | 0 | 0 | 109.8 | V245 H247 R252 R253 D254 | V245-L250 HydrophobicContact CB-CD2 4.37Å; V245-L250 HydrophobicContact CG1-CD2 4.16Å; V245-L250 HydrophobicContact CG1-CG 4.25Å; H247-L250 WeakPolarHBondContact O-CB 3.49Å; H247-L250 PolarHBondContact O-N 2.96Å; L250-R252 VanDerWaalsContact C-N 3.26Å; L250-R252 PolarHBondContact O-N 3.4Å; L250-R253 WeakPolarHBondContact O-CB 3.33Å; L250-R253 PolarHBondContact O-N 2.69Å; L250-R253 VanDerWaalsContact O-N 3.12Å; L250-D254 VanDerWaalsContact O-CG 3.25Å; L250-D254 PolarHBondContact O-N 2.96Å |
| 251 | E | 97.8 | Very high | 95.4 | Very high | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.4 | -43 | 175.2 | -66.9 | 177.6 | 149 | 0 | 0 | 111.5 | H247 D254 L255 | H247-E251 VanDerWaalsContact CD2-CD 3.47Å; H247-E251 IonicContact CD2-OE1 3.63Å; H247-E251 PolarHBondContact CD2-OE1 3.45Å; H247-E251 IonicContact NE2-OE1 2.69Å; H247-E251 PolarHBondContact NE2-OE1 2.93Å; H247-E251 VanDerWaalsContact NE2-OE1 3.08Å; H247-E251 PolarHBondContact O-N 3.42Å; E251-D254 PolarHBondContact O-N 3.08Å; E251-L255 VanDerWaalsContact O-CG 3.32Å; E251-L255 WeakPolarHBondContact O-CG 3.33Å; E251-L255 PolarHBondContact O-N 3.24Å |
| 252 | R | 98.3 | Very high | 95.6 | Very high | 132 Ų | 132 | 100 Ų | 100 | 50% | 0.498 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 177.8 | -177.9 | 167.6 | -64.7 | -168 | -1.3 | 113 | Y248 L249 L250 D254 L255 W256 | Y248-R252 WeakPolarHBondContact O-CB 3.49Å; Y248-R252 PolarHBondContact O-N 2.88Å; L249-R252 PolarHBondContact O-N 3.23Å; L250-R252 VanDerWaalsContact C-N 3.26Å; L250-R252 PolarHBondContact O-N 3.4Å; R252-D254 VanDerWaalsContact C-N 3.3Å; R252-L255 PolarHBondContact O-N 3.34Å; R252-W256 HydrophobicContact CG-CD2 4.29Å; R252-W256 HydrophobicContact CG-CH2 4.46Å; R252-W256 HydrophobicContact CG-CZ2 4.08Å; R252-W256 PolarHBondContact O-N 3.45Å |
| 253 | R | 97.6 | Very high | 95.5 | Very high | 129 Ų | 129 | 100.2 Ų | 100.2 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 175.4 | -176.8 | -164.4 | 68.1 | -173.3 | -2.1 | 110.3 | L249 L250 L255 W256 Q257 | L249-R253 PolarHBondContact O-N 2.95Å; L250-R253 WeakPolarHBondContact O-CB 3.33Å; L250-R253 PolarHBondContact O-N 2.69Å; L250-R253 VanDerWaalsContact O-N 3.12Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-L255 PolarHBondContact O-N 2.81Å; R253-W256 PolarHBondContact O-N 3.07Å; R253-Q257 WeakPolarHBondContact O-CG 3.44Å; R253-Q257 PolarHBondContact O-N 3.06Å |
| 254 | D | 97.5 | Very high | 95.2 | Very high | 54 Ų | 54 | 104 Ų | 104 | 29% | 0.289 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68 | -36.5 | -177.8 | -61 | -7.1 | 0 | 0 | 0 | 111.1 | L250 E251 R252 Q257 R258 | L250-D254 VanDerWaalsContact O-CG 3.25Å; L250-D254 PolarHBondContact O-N 2.96Å; E251-D254 PolarHBondContact O-N 3.08Å; R252-D254 VanDerWaalsContact C-N 3.3Å; D254-Q257 PolarHBondContact O-N 2.98Å; D254-R258 WeakPolarHBondContact O-CG 3.46Å; D254-R258 PolarHBondContact O-N 3.2Å |
| 255 | L | 97.9 | Very high | 94.7 | Very high | 94 Ų | 94 | 105 Ų | 105 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 170.6 | -74.1 | 172.3 | 0 | 0 | 0 | 112 | E251 R252 R253 Q257 R258 E259 | E251-L255 VanDerWaalsContact O-CG 3.32Å; E251-L255 WeakPolarHBondContact O-CG 3.33Å; E251-L255 PolarHBondContact O-N 3.24Å; R252-L255 PolarHBondContact O-N 3.34Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-L255 PolarHBondContact O-N 2.81Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.48Å; L255-R258 PolarHBondContact O-N 2.8Å; L255-E259 WeakPolarHBondContact O-CG 3.37Å; L255-E259 PolarHBondContact O-N 3.12Å |
| 256 | W | 96.9 | Very high | 94.2 | Very high | 165 Ų | 165 | 106.1 Ų | 106.1 | 63% | 0.625 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -36.9 | 176.8 | -73.1 | -16.2 | 0 | 0 | 0 | 113 | R252 R253 A260 | R252-W256 HydrophobicContact CG-CD2 4.29Å; R252-W256 HydrophobicContact CG-CH2 4.46Å; R252-W256 HydrophobicContact CG-CZ2 4.08Å; R252-W256 PolarHBondContact O-N 3.45Å; R253-W256 PolarHBondContact O-N 3.07Å; W256-A260 VanDerWaalsContact O-CB 3.25Å; W256-A260 WeakPolarHBondContact O-CB 3.34Å; W256-A260 PolarHBondContact O-N 2.69Å |
| 257 | Q | 97.5 | Very high | 93.4 | Very high | 97 Ų | 97 | 109.5 Ų | 109.5 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 174.1 | -74.3 | 174.3 | -15.4 | 0 | 0 | 110.9 | R253 D254 L255 E259 A260 E261 | R253-Q257 WeakPolarHBondContact O-CG 3.44Å; R253-Q257 PolarHBondContact O-N 3.06Å; D254-Q257 PolarHBondContact O-N 2.98Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.48Å; Q257-E259 PolarHBondContact O-N 3.04Å; Q257-A260 PolarHBondContact O-N 3.08Å; Q257-E261 WeakPolarHBondContact O-CG 3.37Å; Q257-E261 PolarHBondContact O-N 2.95Å |
| 258 | R | 96.9 | Very high | 92.5 | Very high | 166 Ų | 166 | 108.1 Ų | 108.1 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.8 | -43.6 | 177.4 | -70 | 172.9 | -174.7 | 174.5 | 3.8 | 112.5 | D254 L255 A260 E261 A262 | D254-R258 WeakPolarHBondContact O-CG 3.46Å; D254-R258 PolarHBondContact O-N 3.2Å; L255-R258 PolarHBondContact O-N 2.8Å; R258-A260 VanDerWaalsContact C-N 3.35Å; R258-E261 PolarHBondContact O-N 3.46Å; R258-A262 WeakPolarHBondContact O-CB 3.35Å; R258-A262 PolarHBondContact O-N 3.37Å |
| 259 | E | 95.4 | Very high | 91.5 | Very high | 88 Ų | 88 | 103.8 Ų | 103.8 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.5 | -77.1 | -178.6 | -156.1 | 0 | 0 | 112 | L255 Q257 A262 R263 | L255-E259 WeakPolarHBondContact O-CG 3.37Å; L255-E259 PolarHBondContact O-N 3.12Å; Q257-E259 PolarHBondContact O-N 3.04Å; E259-A262 PolarHBondContact O-N 3.36Å; E259-R263 WeakPolarHBondContact O-CB 3.5Å; E259-R263 VanDerWaalsContact O-CG 3.26Å; E259-R263 WeakPolarHBondContact O-CG 3.41Å; E259-R263 PolarHBondContact O-N 3.44Å; E259-R263 IonicContact OE2-CZ 2.69Å; E259-R263 IonicContact OE2-NH2 3.98Å; E259-R263 PolarHBondContact OE2-NH2 3.19Å |
| 260 | A | 93.6 | Very high | 90.6 | Very high | 41 Ų | 41 | 106.8 Ų | 106.8 | 34% | 0.339 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W256 Q257 R258 R263 K264 | W256-A260 VanDerWaalsContact O-CB 3.25Å; W256-A260 WeakPolarHBondContact O-CB 3.34Å; W256-A260 PolarHBondContact O-N 2.69Å; Q257-A260 PolarHBondContact O-N 3.08Å; R258-A260 VanDerWaalsContact C-N 3.35Å; A260-R263 PolarHBondContact O-N 3.44Å; A260-K264 VanDerWaalsContact O-CG 3.31Å; A260-K264 WeakPolarHBondContact O-CG 3.46Å; A260-K264 PolarHBondContact O-N 3.34Å |
| 261 | E | 93.8 | Very high | 89.9 | Confident | 110 Ų | 110 | 107.4 Ų | 107.4 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 173.5 | -73.5 | 171 | -172.8 | 0 | 0 | 111.5 | Q257 R258 R263 K264 Q265 | Q257-E261 WeakPolarHBondContact O-CG 3.37Å; Q257-E261 PolarHBondContact O-N 2.95Å; R258-E261 PolarHBondContact O-N 3.46Å; E261-R263 VanDerWaalsContact C-N 3.31Å; E261-R263 PolarHBondContact O-N 3.34Å; E261-K264 PolarHBondContact O-N 2.98Å; E261-K264 VanDerWaalsContact O-N 3.12Å; E261-Q265 WeakPolarHBondContact O-CB 3.48Å; E261-Q265 VanDerWaalsContact O-CG 3.31Å; E261-Q265 WeakPolarHBondContact O-CG 3.37Å; E261-Q265 PolarHBondContact O-N 3.46Å |
| 262 | A | 92.3 | Very high | 89.2 | Confident | 51 Ų | 51 | 106 Ų | 106 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R258 E259 Q265 S266 | R258-A262 WeakPolarHBondContact O-CB 3.35Å; R258-A262 PolarHBondContact O-N 3.37Å; E259-A262 PolarHBondContact O-N 3.36Å; A262-Q265 PolarHBondContact O-N 2.98Å; A262-S266 WeakPolarHBondContact O-CB 3.32Å; A262-S266 PolarHBondContact O-N 3.04Å; A262-S266 PolarHBondContact O-OG 2.93Å |
| 263 | R | 90.2 | Very high | 88.7 | Confident | 146 Ų | 146 | 102.3 Ų | 102.3 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 173.4 | -74.9 | 176.3 | -170.2 | 139.8 | 16.5 | 112 | E259 A260 E261 Q265 S266 Q267 | E259-R263 WeakPolarHBondContact O-CB 3.5Å; E259-R263 VanDerWaalsContact O-CG 3.26Å; E259-R263 WeakPolarHBondContact O-CG 3.41Å; E259-R263 PolarHBondContact O-N 3.44Å; E259-R263 IonicContact OE2-CZ 2.69Å; E259-R263 IonicContact OE2-NH2 3.98Å; E259-R263 PolarHBondContact OE2-NH2 3.19Å; A260-R263 PolarHBondContact O-N 3.44Å; E261-R263 VanDerWaalsContact C-N 3.31Å; E261-R263 PolarHBondContact O-N 3.34Å; R263-Q265 VanDerWaalsContact C-N 3.33Å; R263-S266 PolarHBondContact O-N 3.49Å; R263-S266 PolarHBondContact O-OG 3.29Å; R263-Q267 WeakPolarHBondContact O-CB 3.2Å; R263-Q267 WeakPolarHBondContact O-CG 3.47Å; R263-Q267 PolarHBondContact O-N 3.47Å |
| 264 | K | 85.4 | Confident | 88.2 | Confident | 157 Ų | 157 | 102.1 Ų | 102.1 | 68% | 0.683 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.9 | -34.7 | 176.7 | -74.8 | 176.2 | -179 | -179.1 | 0 | 112.4 | A260 E261 | A260-K264 VanDerWaalsContact O-CG 3.31Å; A260-K264 WeakPolarHBondContact O-CG 3.46Å; A260-K264 PolarHBondContact O-N 3.34Å; E261-K264 PolarHBondContact O-N 2.98Å; E261-K264 VanDerWaalsContact O-N 3.12Å |
| 265 | Q | 82.9 | Confident | 87.7 | Confident | 161 Ų | 161 | 102.3 Ų | 102.3 | 75% | 0.752 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.5 | -36.3 | 177.1 | -71.5 | 176 | 10.8 | 0 | 0 | 112.4 | E261 A262 R263 | E261-Q265 WeakPolarHBondContact O-CB 3.48Å; E261-Q265 VanDerWaalsContact O-CG 3.31Å; E261-Q265 WeakPolarHBondContact O-CG 3.37Å; E261-Q265 PolarHBondContact O-N 3.46Å; A262-Q265 PolarHBondContact O-N 2.98Å; R263-Q265 VanDerWaalsContact C-N 3.33Å |
| 266 | S | 83.1 | Confident | 87.4 | Confident | 91 Ų | 91 | 100.7 Ų | 100.7 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -80.1 | -25 | 178.6 | 70.3 | 0 | 0 | 0 | 0 | 113.2 | A262 R263 P268 | A262-S266 WeakPolarHBondContact O-CB 3.32Å; A262-S266 PolarHBondContact O-N 3.04Å; A262-S266 PolarHBondContact O-OG 2.93Å; R263-S266 PolarHBondContact O-N 3.49Å; R263-S266 PolarHBondContact O-OG 3.29Å; S266-P268 VanDerWaalsContact O-CD 3.31Å; S266-P268 WeakPolarHBondContact O-CD 3.38Å |
| 267 | Q | 78.3 | Confident | 87.1 | Confident | 130 Ų | 130 | 96 Ų | 96 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -62 | 117.6 | 172.2 | -83.6 | 174.2 | 14.7 | 0 | 0 | 109.2 | R263 | R263-Q267 WeakPolarHBondContact O-CB 3.2Å; R263-Q267 WeakPolarHBondContact O-CG 3.47Å; R263-Q267 PolarHBondContact O-N 3.47Å |
| 268 | P | 76.5 | Confident | 86.8 | Confident | 101 Ų | 101 | 97 Ų | 97 | 66% | 0.656 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 145.2 | 174.5 | 26.6 | -33 | 0 | 0 | 0 | 109.3 | S266 | S266-P268 VanDerWaalsContact O-CD 3.31Å; S266-P268 WeakPolarHBondContact O-CD 3.38Å |
| 269 | D | 75.5 | Confident | 86.6 | Confident | 40 Ų | 40 | 90.3 Ų | 90.3 | 21% | 0.214 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 123.7 | 179.8 | -168.4 | -22.6 | 0 | 0 | 0 | 108.8 | A271 M272 K339 | D269-A271 PolarHBondContact O-N 3.4Å; D269-A271 PolarHBondContact OD1-N 2.92Å; D269-M272 HydrophobicContact CB-CB 4.29Å; D269-M272 HydrophobicContact CB-CE 4.42Å; D269-M272 VanDerWaalsContact O-CB 3.22Å; D269-M272 WeakPolarHBondContact O-CB 3.47Å; D269-M272 PolarHBondContact O-N 3.16Å; D269-K339 IonicContact OD1-NZ 3.98Å; D269-K339 IonicContact OD2-NZ 2.69Å; D269-K339 PolarHBondContact OD2-NZ 3.42Å |
| 270 | P | 78.9 | Confident | 86.6 | Confident | 137 Ų | 137 | 88.9 Ų | 88.9 | 89% | 0.89 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -19.1 | -177.4 | 23 | -35.2 | 0 | 0 | 0 | 113.3 | ||
| 271 | A | 80.9 | Confident | 86.6 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 56% | 0.562 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D269 P273 | D269-A271 PolarHBondContact O-N 3.4Å; D269-A271 PolarHBondContact OD1-N 2.92Å; A271-P273 VanDerWaalsContact O-CD 3.26Å; A271-P273 WeakPolarHBondContact O-CD 3.06Å |
| 272 | M | 83.9 | Confident | 86.7 | Confident | 69 Ų | 69 | 91.9 Ų | 91.9 | 34% | 0.34 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 116.3 | -178.2 | -172 | -179.8 | -63.8 | 0 | 0 | 110.6 | D269 R278 F341 | D269-M272 HydrophobicContact CB-CB 4.29Å; D269-M272 HydrophobicContact CB-CE 4.42Å; D269-M272 VanDerWaalsContact O-CB 3.22Å; D269-M272 WeakPolarHBondContact O-CB 3.47Å; D269-M272 PolarHBondContact O-N 3.16Å; M272-R278 HydrophobicContact CE-CB 4.28Å; M272-F341 HydrophobicContact CB-CD1 4.36Å; M272-F341 HydrophobicContact CB-CE1 3.87Å; M272-F341 HydrophobicContact CB-CZ 4.23Å; M272-F341 HydrophobicContact CE-CD1 4.35Å; M272-F341 HydrophobicContact CE-CE1 3.84Å; M272-F341 HydrophobicContact CG-CD1 3.88Å; M272-F341 HydrophobicContact CG-CE1 3.82Å |
| 273 | P | 87.3 | Confident | 86.9 | Confident | 53 Ų | 53 | 94.1 Ų | 94.1 | 34% | 0.344 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 150.7 | 176.5 | -17.8 | 32.5 | 0 | 0 | 0 | 111.7 | A271 H276 | A271-P273 VanDerWaalsContact O-CD 3.26Å; A271-P273 WeakPolarHBondContact O-CD 3.06Å; P273-H276 HydrophobicContact CB-CB 4.45Å; P273-H276 WeakPolarHBondContact O-CB 3.08Å; P273-H276 PolarHBondContact O-N 2.95Å |
| 274 | P | 87.4 | Confident | 87.2 | Confident | 125 Ų | 125 | 88.1 Ų | 88.1 | 81% | 0.812 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 141.9 | 177 | 25.6 | -33.5 | 0 | 0 | 0 | 111.2 | H276 | P274-H276 PolarHBondContact O-N 3.21Å; P274-H276 PolarHBondContact O-ND1 3.41Å |
| 275 | G | 87.9 | Confident | 87.7 | Confident | 58 Ų | 58 | 84.4 Ų | 84.4 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 10 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | M344 | G275-M344 PolarHBondContact O-N 2.87Š|
| 276 | H | 90.8 | Very high | 88.4 | Confident | 61 Ų | 61 | 81.9 Ų | 81.9 | 28% | 0.282 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148 | 175.8 | -62.6 | 63.4 | 0 | 0 | 0 | 111.1 | P273 P274 F341 V342 | P273-H276 HydrophobicContact CB-CB 4.45Å; P273-H276 WeakPolarHBondContact O-CB 3.08Å; P273-H276 PolarHBondContact O-N 2.95Å; P274-H276 PolarHBondContact O-N 3.21Å; P274-H276 PolarHBondContact O-ND1 3.41Å; H276-F341 HydrophobicContact CB-CB 4.07Å; H276-V342 CarbonylContact C-O 3.54Å; H276-V342 VanDerWaalsContact CA-O 3.25Å; H276-V342 WeakPolarHBondContact CA-O 3.48Å |
| 277 | T | 90.8 | Very high | 89.1 | Confident | 67 Ų | 67 | 79.3 Ų | 79.3 | 41% | 0.411 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 143 | 176.6 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | M279 F341 V342 M344 | T277-M279 PolarHBondContact O-N 3.42Å; T277-F341 CarbonylContact O-C 3.56Å; T277-F341 WeakPolarHBondContact O-CA 3.48Å; T277-V342 PolarHBondContact N-O 3.11Å; T277-V342 PolarHBondContact O-N 3.07Å; T277-M344 WeakPolarHBondContact OG1-CG 3.38Å; T277-M344 PolarHBondContact OG1-SD 3.4Å |
| 278 | R | 90.2 | Very high | 90 | Very high | 117 Ų | 117 | 74.5 Ų | 74.5 | 44% | 0.442 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 125.3 | 174.1 | -179.4 | -179.8 | 171.6 | -171.6 | -2.9 | 109.8 | M272 F341 | M272-R278 HydrophobicContact CE-CB 4.28Å; R278-F341 HydrophobicContact CB-CD1 4Å; R278-F341 HydrophobicContact CB-CE1 3.93Å; R278-F341 HydrophobicContact CG-CE1 4.43Å |
| 279 | M | 92.8 | Very high | 91 | Very high | 25 Ų | 25 | 73.1 Ų | 73.1 | 12% | 0.123 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 131.4 | 173 | -165.6 | -178.4 | -169.5 | 0 | 0 | 110.4 | T277 Q283 R284 T287 F335 V340 V342 | T277-M279 PolarHBondContact O-N 3.42Å; M279-Q283 HydrophobicContact CE-CB 3.76Å; M279-Q283 WeakPolarHBondContact CE-O 3.14Å; M279-Q283 HydrophobicContact CG-CB 4.32Å; M279-R284 HydrophobicContact CG-CB 4.43Å; M279-R284 HydrophobicContact SD-CB 3.93Å; M279-T287 HydrophobicContact CE-CG2 3.66Å; M279-F335 HydrophobicContact CE-CE1 4.15Å; M279-F335 HydrophobicContact SD-CD1 4.07Å; M279-F335 HydrophobicContact SD-CE1 3.57Å; M279-F335 VanDerWaalsContact SD-CE1 3.57Å; M279-V340 HydrophobicContact CB-CB 4.31Å; M279-V340 PolarHBondContact N-O 3.07Å; M279-V342 HydrophobicContact CB-CG2 4.05Å; M279-V342 HydrophobicContact CG-CG2 4.34Å; M279-V342 HydrophobicContact SD-CG2 4.45Å |
| 280 | P | 95.3 | Very high | 92.1 | Very high | 59 Ų | 59 | 77.3 Ų | 77.3 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 143 | 171.4 | -24.5 | 33.6 | 0 | 0 | 0 | 111.7 | N282 Q283 R284 | P280-N282 VanDerWaalsContact C-N 3.33Å; P280-N282 PolarHBondContact O-N 3.29Å; P280-Q283 HydrophobicContact CB-CB 4.43Å; P280-Q283 HydrophobicContact CB-CG 4.25Å; P280-Q283 HydrophobicContact CG-CG 4.43Å; P280-Q283 PolarHBondContact O-N 3.19Å; P280-R284 PolarHBondContact O-N 3.06Å |
| 281 | E | 94.7 | Very high | 93 | Very high | 100 Ų | 100 | 72.3 Ų | 72.3 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | -174.5 | 176.9 | 155.8 | -143.8 | 0 | 0 | 112.9 | Q283 R284 L285 | E281-Q283 PolarHBondContact O-N 2.81Å; E281-R284 WeakPolarHBondContact O-CB 3.21Å; E281-R284 PolarHBondContact O-N 2.84Å; E281-R284 IonicContact OE1-NH2 2.81Å; E281-R284 PolarHBondContact OE1-NH2 3.13Å; E281-R284 VanDerWaalsContact OE1-NH2 3.17Å; E281-L285 HydrophobicContact CG-CD1 4.12Å; E281-L285 HydrophobicContact CG-CG 4.39Å; E281-L285 WeakPolarHBondContact O-CG 3.36Å; E281-L285 PolarHBondContact O-N 2.89Å |
| 282 | N | 96.1 | Very high | 93.8 | Very high | 113 Ų | 113 | 72.9 Ų | 72.9 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.3 | -49.2 | 177.3 | 3.1 | -40.3 | 0 | 0 | 0 | 110.7 | P280 R284 L285 E286 | P280-N282 VanDerWaalsContact C-N 3.33Å; P280-N282 PolarHBondContact O-N 3.29Å; N282-R284 VanDerWaalsContact C-N 3.32Å; N282-R284 PolarHBondContact O-N 2.9Å; N282-L285 PolarHBondContact O-N 3.49Å; N282-E286 WeakPolarHBondContact O-CG 3.25Å; N282-E286 PolarHBondContact O-N 2.84Å |
| 283 | Q | 96 | Very high | 94.5 | Very high | 99 Ų | 99 | 75 Ų | 75 | 46% | 0.463 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 177.1 | -64.5 | -180 | -2.4 | 0 | 0 | 111.5 | M279 P280 E281 L285 E286 T287 | M279-Q283 HydrophobicContact CE-CB 3.76Å; M279-Q283 WeakPolarHBondContact CE-O 3.14Å; M279-Q283 HydrophobicContact CG-CB 4.32Å; P280-Q283 HydrophobicContact CB-CB 4.43Å; P280-Q283 HydrophobicContact CB-CG 4.25Å; P280-Q283 HydrophobicContact CG-CG 4.43Å; P280-Q283 PolarHBondContact O-N 3.19Å; E281-Q283 PolarHBondContact O-N 2.81Å; Q283-L285 PolarHBondContact O-N 2.84Å; Q283-E286 PolarHBondContact O-N 3.26Å; Q283-T287 PolarHBondContact O-N 3.28Å; Q283-T287 PolarHBondContact O-OG1 2.89Å |
| 284 | R | 96.3 | Very high | 95 | Very high | 20 Ų | 20 | 74.4 Ų | 74.4 | 8% | 0.075 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 176 | 180 | -166.9 | 66.9 | 80.7 | -2.2 | 111.9 | M279 P280 E281 N282 T287 L288 F335 R337 V340 | M279-R284 HydrophobicContact CG-CB 4.43Å; M279-R284 HydrophobicContact SD-CB 3.93Å; P280-R284 PolarHBondContact O-N 3.06Å; E281-R284 WeakPolarHBondContact O-CB 3.21Å; E281-R284 PolarHBondContact O-N 2.84Å; E281-R284 IonicContact OE1-NH2 2.81Å; E281-R284 PolarHBondContact OE1-NH2 3.13Å; E281-R284 VanDerWaalsContact OE1-NH2 3.17Å; N282-R284 VanDerWaalsContact C-N 3.32Å; N282-R284 PolarHBondContact O-N 2.9Å; R284-T287 PolarHBondContact O-N 2.98Å; R284-T287 PolarHBondContact O-OG1 3.17Å; R284-L288 WeakPolarHBondContact O-CB 3.44Å; R284-L288 PolarHBondContact O-N 2.79Å; R284-F335 HydrophobicContact CG-CD1 4.22Å; R284-F335 PolarHBondContact NH1-O 3.38Å; R284-R337 WeakPolarHBondContact CD-O 3.47Å; R284-V340 HydrophobicContact CG-CG2 4.08Å |
| 285 | L | 97 | Very high | 95.5 | Very high | 79 Ų | 79 | 70.6 Ų | 70.6 | 41% | 0.414 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 177.8 | -70.3 | 173.7 | 0 | 0 | 0 | 111.1 | E281 N282 Q283 L288 T289 | E281-L285 HydrophobicContact CG-CD1 4.12Å; E281-L285 HydrophobicContact CG-CG 4.39Å; E281-L285 WeakPolarHBondContact O-CG 3.36Å; E281-L285 PolarHBondContact O-N 2.89Å; N282-L285 PolarHBondContact O-N 3.49Å; Q283-L285 PolarHBondContact O-N 2.84Å; L285-L288 PolarHBondContact O-N 3.47Å; L285-T289 WeakPolarHBondContact O-CG2 3.33Å; L285-T289 PolarHBondContact O-N 3.09Å; L285-T289 PolarHBondContact O-OG1 3.06Å |
| 286 | E | 97.5 | Very high | 96 | Very high | 107 Ų | 107 | 69.9 Ų | 69.9 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 174.7 | -72.8 | 174.8 | -160.3 | 0 | 0 | 113 | N282 Q283 T289 K290 | N282-E286 WeakPolarHBondContact O-CG 3.25Å; N282-E286 PolarHBondContact O-N 2.84Å; Q283-E286 PolarHBondContact O-N 3.26Å; E286-T289 PolarHBondContact O-OG1 3.04Å; E286-K290 WeakPolarHBondContact O-CD 3.24Å; E286-K290 VanDerWaalsContact O-CG 3.26Å; E286-K290 WeakPolarHBondContact O-CG 3.28Å; E286-K290 PolarHBondContact O-N 2.95Å |
| 287 | T | 97 | Very high | 96.3 | Very high | 38 Ų | 38 | 72 Ų | 72 | 23% | 0.233 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 174.9 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | M279 Q283 R284 T289 K290 L291 F335 | M279-T287 HydrophobicContact CE-CG2 3.66Å; Q283-T287 PolarHBondContact O-N 3.28Å; Q283-T287 PolarHBondContact O-OG1 2.89Å; R284-T287 PolarHBondContact O-N 2.98Å; R284-T287 PolarHBondContact O-OG1 3.17Å; T287-T289 PolarHBondContact O-N 3.42Å; T287-K290 PolarHBondContact O-N 3.38Å; T287-L291 VanDerWaalsContact O-CG 3.29Å; T287-L291 WeakPolarHBondContact O-CG 3.4Å; T287-L291 PolarHBondContact O-N 3.05Å; T287-F335 WeakPolarHBondContact OG1-CD1 3.46Å |
| 288 | L | 97.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.9 | -178.1 | 63.7 | 0 | 0 | 0 | 111.8 | R284 L285 L291 L292 I332 F335 | R284-L288 WeakPolarHBondContact O-CB 3.44Å; R284-L288 PolarHBondContact O-N 2.79Å; L285-L288 PolarHBondContact O-N 3.47Å; L288-L291 PolarHBondContact O-N 2.86Å; L288-L292 HydrophobicContact CG-CD1 4.26Å; L288-L292 WeakPolarHBondContact O-CG 3.4Å; L288-L292 PolarHBondContact O-N 2.93Å; L288-I332 HydrophobicContact CD1-CG2 4.06Å; L288-F335 HydrophobicContact CB-CB 4.34Å; L288-F335 HydrophobicContact CD1-CB 4.21Å |
| 289 | T | 98.1 | Very high | 96.9 | Very high | 72 Ų | 72 | 67.5 Ų | 67.5 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 177.8 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | L285 E286 T287 L291 L292 Q293 | L285-T289 WeakPolarHBondContact O-CG2 3.33Å; L285-T289 PolarHBondContact O-N 3.09Å; L285-T289 PolarHBondContact O-OG1 3.06Å; E286-T289 PolarHBondContact O-OG1 3.04Å; T287-T289 PolarHBondContact O-N 3.42Å; T289-L291 VanDerWaalsContact C-N 3.35Å; T289-L291 PolarHBondContact O-N 3.34Å; T289-L292 PolarHBondContact O-N 3.15Å; T289-Q293 VanDerWaalsContact O-CG 3.3Å; T289-Q293 WeakPolarHBondContact O-CG 3.47Å; T289-Q293 PolarHBondContact O-N 3.12Å |
| 290 | K | 98.1 | Very high | 97.1 | Very high | 127 Ų | 127 | 74.2 Ų | 74.2 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 174.3 | -71.7 | 169.1 | -175.4 | 171.9 | 0 | 112.2 | E286 T287 Q293 S294 | E286-K290 WeakPolarHBondContact O-CD 3.24Å; E286-K290 VanDerWaalsContact O-CG 3.26Å; E286-K290 WeakPolarHBondContact O-CG 3.28Å; E286-K290 PolarHBondContact O-N 2.95Å; T287-K290 PolarHBondContact O-N 3.38Å; K290-Q293 PolarHBondContact O-N 3.4Å; K290-S294 WeakPolarHBondContact O-CB 3.3Å; K290-S294 PolarHBondContact O-N 3.03Å |
| 291 | L | 98.1 | Very high | 97.1 | Very high | 32 Ų | 32 | 76 Ų | 76 | 17% | 0.168 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66 | -41.9 | 177.7 | -72.1 | 169.4 | 0 | 0 | 0 | 112.1 | T287 L288 T289 Q293 S294 Q295 V328 A331 I332 F335 | T287-L291 VanDerWaalsContact O-CG 3.29Å; T287-L291 WeakPolarHBondContact O-CG 3.4Å; T287-L291 PolarHBondContact O-N 3.05Å; L288-L291 PolarHBondContact O-N 2.86Å; T289-L291 VanDerWaalsContact C-N 3.35Å; T289-L291 PolarHBondContact O-N 3.34Å; L291-Q293 VanDerWaalsContact C-N 3.33Å; L291-Q293 PolarHBondContact O-N 3Å; L291-S294 PolarHBondContact O-N 3.36Å; L291-Q295 WeakPolarHBondContact O-CB 3.4Å; L291-Q295 PolarHBondContact O-N 3.02Å; L291-V328 HydrophobicContact CB-CG1 4.48Å; L291-V328 HydrophobicContact CD2-CG1 4.34Å; L291-V328 WeakPolarHBondContact O-CG1 3.18Å; L291-A331 HydrophobicContact CD1-CB 3.75Å; L291-A331 HydrophobicContact CD2-CB 3.93Å; L291-I332 HydrophobicContact CB-CD1 4.3Å; L291-I332 HydrophobicContact CB-CG1 3.64Å; L291-I332 HydrophobicContact CD1-CG1 4.39Å; L291-F335 HydrophobicContact CD1-CB 4.45Å; L291-F335 HydrophobicContact CD1-CD2 3.42Å; L291-F335 VanDerWaalsContact CD1-CD2 3.42Å; L291-F335 HydrophobicContact CD1-CE2 4Å; L291-F335 HydrophobicContact CD1-CG 4.21Å |
| 292 | L | 98.1 | Very high | 97 | Very high | 80 Ų | 80 | 73.4 Ų | 73.4 | 42% | 0.419 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 174.8 | -70.9 | 170.2 | 0 | 0 | 0 | 111.9 | L288 T289 Q295 S296 I332 | L288-L292 HydrophobicContact CG-CD1 4.26Å; L288-L292 WeakPolarHBondContact O-CG 3.4Å; L288-L292 PolarHBondContact O-N 2.93Å; T289-L292 PolarHBondContact O-N 3.15Å; L292-Q295 PolarHBondContact O-N 3.18Å; L292-S296 PolarHBondContact O-N 3.5Å; L292-I332 HydrophobicContact CD2-CD1 4.03Å; L292-I332 HydrophobicContact CD2-CG2 4.4Å |
| 293 | Q | 98.1 | Very high | 96.9 | Very high | 113 Ų | 113 | 73.9 Ų | 73.9 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62 | -47 | 173.4 | -72.8 | 172.3 | -1.7 | 0 | 0 | 111.1 | T289 K290 L291 Q295 S296 Q297 | T289-Q293 VanDerWaalsContact O-CG 3.3Å; T289-Q293 WeakPolarHBondContact O-CG 3.47Å; T289-Q293 PolarHBondContact O-N 3.12Å; K290-Q293 PolarHBondContact O-N 3.4Å; L291-Q293 VanDerWaalsContact C-N 3.33Å; L291-Q293 PolarHBondContact O-N 3Å; Q293-Q295 PolarHBondContact O-N 2.98Å; Q293-S296 PolarHBondContact O-N 3.49Å; Q293-S296 PolarHBondContact O-OG 2.92Å; Q293-Q297 WeakPolarHBondContact O-CG 3.45Å; Q293-Q297 PolarHBondContact O-N 3.47Å |
| 294 | S | 98.1 | Very high | 96.7 | Very high | 42 Ų | 42 | 76 Ų | 76 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 177 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | K290 L291 S296 Q297 L298 | K290-S294 WeakPolarHBondContact O-CB 3.3Å; K290-S294 PolarHBondContact O-N 3.03Å; L291-S294 PolarHBondContact O-N 3.36Å; S294-S296 VanDerWaalsContact C-N 3.33Å; S294-S296 PolarHBondContact O-N 2.85Å; S294-Q297 WeakPolarHBondContact O-CB 3.37Å; S294-Q297 PolarHBondContact O-N 3.3Å; S294-Q297 VanDerWaalsContact O-N 3.16Å; S294-L298 WeakPolarHBondContact O-CG 3.3Å; S294-L298 PolarHBondContact O-N 3.29Å |
| 295 | Q | 97.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 77 Ų | 77 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 174.2 | -171.3 | -171 | 37.3 | 0 | 0 | 110.8 | L291 L292 Q293 Q297 L298 L299 L325 V328 E329 I332 | L291-Q295 WeakPolarHBondContact O-CB 3.4Å; L291-Q295 PolarHBondContact O-N 3.02Å; L292-Q295 PolarHBondContact O-N 3.18Å; Q293-Q295 PolarHBondContact O-N 2.98Å; Q295-Q297 VanDerWaalsContact C-N 3.27Å; Q295-Q297 PolarHBondContact O-N 3.3Å; Q295-L298 PolarHBondContact O-N 2.99Å; Q295-L299 HydrophobicContact CG-CD1 4.15Å; Q295-L299 WeakPolarHBondContact O-CB 3.48Å; Q295-L299 VanDerWaalsContact O-CG 3.31Å; Q295-L299 WeakPolarHBondContact O-CG 3.2Å; Q295-L299 PolarHBondContact O-N 3.05Å; Q295-L325 HydrophobicContact CG-CD1 3.85Å; Q295-V328 HydrophobicContact CB-CG1 3.89Å; Q295-E329 PolarHBondContact NE2-OE1 2.97Å; Q295-I332 HydrophobicContact CB-CD1 4.08Å; Q295-I332 HydrophobicContact CG-CD1 4.44Å |
| 296 | S | 97.8 | Very high | 96.1 | Very high | 43 Ų | 43 | 78 Ų | 78 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.6 | -34.1 | 179 | 79.3 | 0 | 0 | 0 | 0 | 112.7 | L292 Q293 S294 R300 | L292-S296 PolarHBondContact O-N 3.5Å; Q293-S296 PolarHBondContact O-N 3.49Å; Q293-S296 PolarHBondContact O-OG 2.92Å; S294-S296 VanDerWaalsContact C-N 3.33Å; S294-S296 PolarHBondContact O-N 2.85Å; S296-R300 WeakPolarHBondContact O-CD 3.24Å; S296-R300 WeakPolarHBondContact O-CG 3.49Å; S296-R300 PolarHBondContact O-N 3.35Å; S296-R300 VanDerWaalsContact O-N 3.11Å |
| 297 | Q | 97.4 | Very high | 95.2 | Very high | 107 Ų | 107 | 78.2 Ų | 78.2 | 50% | 0.5 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.4 | -48 | 176.1 | -71.4 | 169.5 | -7.2 | 0 | 0 | 111.3 | Q293 S294 Q295 L299 R300 E301 | Q293-Q297 WeakPolarHBondContact O-CG 3.45Å; Q293-Q297 PolarHBondContact O-N 3.47Å; S294-Q297 WeakPolarHBondContact O-CB 3.37Å; S294-Q297 PolarHBondContact O-N 3.3Å; S294-Q297 VanDerWaalsContact O-N 3.16Å; Q295-Q297 VanDerWaalsContact C-N 3.27Å; Q295-Q297 PolarHBondContact O-N 3.3Å; Q297-L299 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 2.91Å; Q297-R300 WeakPolarHBondContact O-CB 3.32Å; Q297-R300 PolarHBondContact O-N 2.76Å; Q297-R300 VanDerWaalsContact O-N 3.12Å; Q297-E301 WeakPolarHBondContact O-CG 3.4Å; Q297-E301 PolarHBondContact O-N 3.46Å |
| 298 | L | 96.9 | Very high | 94.2 | Very high | 18 Ų | 18 | 79 Ų | 79 | 9% | 0.094 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 177.5 | -69.6 | 172.7 | 0 | 0 | 0 | 112 | S294 Q295 E301 L302 L321 K324 L325 V328 | S294-L298 WeakPolarHBondContact O-CG 3.3Å; S294-L298 PolarHBondContact O-N 3.29Å; Q295-L298 PolarHBondContact O-N 2.99Å; L298-E301 PolarHBondContact O-N 2.93Å; L298-L302 WeakPolarHBondContact O-CB 3.23Å; L298-L302 PolarHBondContact O-N 3.32Å; L298-L321 HydrophobicContact CD2-CD2 3.76Å; L298-K324 HydrophobicContact CD1-CB 3.93Å; L298-K324 HydrophobicContact CD2-CB 4.28Å; L298-K324 HydrophobicContact CD2-CD 4.36Å; L298-L325 HydrophobicContact CB-CD1 4.17Å; L298-V328 HydrophobicContact CD1-CG2 4.02Å |
| 299 | L | 96.4 | Very high | 92.8 | Very high | 70 Ų | 70 | 78.5 Ų | 78.5 | 37% | 0.366 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 174.6 | -71.8 | 175.5 | 0 | 0 | 0 | 112 | Q295 Q297 L302 V303 L325 | Q295-L299 HydrophobicContact CG-CD1 4.15Å; Q295-L299 WeakPolarHBondContact O-CB 3.48Å; Q295-L299 VanDerWaalsContact O-CG 3.31Å; Q295-L299 WeakPolarHBondContact O-CG 3.2Å; Q295-L299 PolarHBondContact O-N 3.05Å; Q297-L299 VanDerWaalsContact C-N 3.32Å; Q297-L299 PolarHBondContact O-N 2.91Å; L299-L302 PolarHBondContact O-N 3.3Å; L299-V303 WeakPolarHBondContact O-CB 3.25Å; L299-V303 VanDerWaalsContact O-CG2 3.24Å; L299-V303 WeakPolarHBondContact O-CG2 3.39Å; L299-V303 PolarHBondContact O-N 3.28Å; L299-L325 HydrophobicContact CD2-CD1 3.92Å; L299-L325 HydrophobicContact CD2-CD2 3.78Å; L299-L325 HydrophobicContact CG-CD1 3.96Å |
| 300 | R | 96.8 | Very high | 91.8 | Very high | 167 Ų | 167 | 81.5 Ų | 81.5 | 63% | 0.63 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.6 | -45.5 | 173.8 | -73.7 | 167.9 | -168.8 | -174.4 | 4.3 | 111 | S296 Q297 L302 V303 L304 | S296-R300 WeakPolarHBondContact O-CD 3.24Å; S296-R300 WeakPolarHBondContact O-CG 3.49Å; S296-R300 PolarHBondContact O-N 3.35Å; S296-R300 VanDerWaalsContact O-N 3.11Å; Q297-R300 WeakPolarHBondContact O-CB 3.32Å; Q297-R300 PolarHBondContact O-N 2.76Å; Q297-R300 VanDerWaalsContact O-N 3.12Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 2.65Å; R300-V303 PolarHBondContact O-N 2.88Å; R300-L304 WeakPolarHBondContact O-CB 3.28Å; R300-L304 VanDerWaalsContact O-CG 3.23Å; R300-L304 WeakPolarHBondContact O-CG 3.48Å; R300-L304 PolarHBondContact O-N 2.91Å |
| 301 | E | 95.1 | Very high | 91.4 | Very high | 97 Ų | 97 | 78.8 Ų | 78.8 | 45% | 0.453 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.3 | -72.1 | 178.7 | -170.5 | 0 | 0 | 112 | Q297 L298 V303 L304 L305 L321 | Q297-E301 WeakPolarHBondContact O-CG 3.4Å; Q297-E301 PolarHBondContact O-N 3.46Å; L298-E301 PolarHBondContact O-N 2.93Å; E301-V303 VanDerWaalsContact C-N 3.35Å; E301-V303 PolarHBondContact O-N 3.4Å; E301-L304 PolarHBondContact O-N 2.83Å; E301-L305 PolarHBondContact O-N 3.32Å; E301-L321 HydrophobicContact CB-CD1 4.15Å; E301-L321 HydrophobicContact CB-CD2 4.38Å; E301-L321 WeakPolarHBondContact OE2-CD2 3.45Å |
| 302 | L | 93.1 | Very high | 91.1 | Very high | 45 Ų | 45 | 83.8 Ų | 83.8 | 24% | 0.236 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.5 | -170.5 | 72.7 | 0 | 0 | 0 | 111.7 | L298 L299 R300 L304 L305 R318 L321 | L298-L302 WeakPolarHBondContact O-CB 3.23Å; L298-L302 PolarHBondContact O-N 3.32Å; L299-L302 PolarHBondContact O-N 3.3Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-L302 PolarHBondContact O-N 2.65Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L305 HydrophobicContact CD1-CD1 4.05Å; L302-L305 WeakPolarHBondContact O-CB 3.28Å; L302-L305 PolarHBondContact O-N 3.25Å; L302-R318 HydrophobicContact CD1-CG 3.97Å; L302-L321 HydrophobicContact CD1-CB 4.36Å; L302-L321 HydrophobicContact CD1-CD1 4.45Å |
| 303 | V | 93.3 | Very high | 90.8 | Very high | 123 Ų | 123 | 90.5 Ų | 90.5 | 75% | 0.745 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.7 | -31.5 | 177.9 | 169.8 | 0 | 0 | 0 | 0 | 112.1 | L299 R300 E301 L305 | L299-V303 WeakPolarHBondContact O-CB 3.25Å; L299-V303 VanDerWaalsContact O-CG2 3.24Å; L299-V303 WeakPolarHBondContact O-CG2 3.39Å; L299-V303 PolarHBondContact O-N 3.28Å; R300-V303 PolarHBondContact O-N 2.88Å; E301-V303 VanDerWaalsContact C-N 3.35Å; E301-V303 PolarHBondContact O-N 3.4Å; V303-L305 VanDerWaalsContact C-N 3.26Å; V303-L305 PolarHBondContact O-N 2.93Å |
| 304 | L | 92.8 | Very high | 90.4 | Very high | 143 Ų | 143 | 86.2 Ų | 86.2 | 75% | 0.749 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -7.7 | 178.9 | -70.6 | 170.4 | 0 | 0 | 0 | 113.7 | R300 E301 L302 | R300-L304 WeakPolarHBondContact O-CB 3.28Å; R300-L304 VanDerWaalsContact O-CG 3.23Å; R300-L304 WeakPolarHBondContact O-CG 3.48Å; R300-L304 PolarHBondContact O-N 2.91Å; E301-L304 PolarHBondContact O-N 2.83Å; L302-L304 VanDerWaalsContact C-N 3.33Å |
| 305 | L | 90.4 | Very high | 90 | Very high | 42 Ų | 42 | 88.9 Ų | 88.9 | 22% | 0.22 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -66.8 | 139.1 | 177.2 | -77.1 | 167.2 | 0 | 0 | 0 | 111.8 | E301 L302 V303 A307 R318 L321 | E301-L305 PolarHBondContact O-N 3.32Å; L302-L305 HydrophobicContact CD1-CD1 4.05Å; L302-L305 WeakPolarHBondContact O-CB 3.28Å; L302-L305 PolarHBondContact O-N 3.25Å; V303-L305 VanDerWaalsContact C-N 3.26Å; V303-L305 PolarHBondContact O-N 2.93Å; L305-A307 PolarHBondContact O-N 3.43Å; L305-R318 HydrophobicContact CD1-CB 4.02Å; L305-R318 HydrophobicContact CD1-CG 4.2Å; L305-L321 HydrophobicContact CD1-CD1 4Å |
| 306 | P | 89.7 | Confident | 89.8 | Confident | 99 Ų | 99 | 90.4 Ų | 90.4 | 64% | 0.643 | 50% | 0.501 | S | S | * | . | trans | -59.5 | 137.6 | 173.8 | -22.5 | 32.8 | 0 | 0 | 0 | 112.1 | G308 | P306-G308 VanDerWaalsContact C-N 3.25Å; P306-G308 PolarHBondContact O-N 3.07Å | ||
| 307 | A | 78.3 | Confident | 89.6 | Confident | 111 Ų | 111 | 92.3 Ų | 92.3 | 92% | 0.917 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -62.1 | -29.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L305 A309 | L305-A307 PolarHBondContact O-N 3.43Å; A307-A309 PolarHBondContact O-N 3.42Å |
| 308 | G | 75.6 | Confident | 89.4 | Confident | 55 Ų | 55 | 93.5 Ų | 93.5 | 57% | 0.567 | 51% | 0.505 | S | S | * | . | trans | -90.5 | 56.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | P306 D310 | P306-G308 VanDerWaalsContact C-N 3.25Å; P306-G308 PolarHBondContact O-N 3.07Å; G308-D310 PolarHBondContact O-N 3.49Å | ||
| 309 | A | 67.8 | Low | 89.2 | Confident | 19 Ų | 19 | 94.4 Ų | 94.4 | 16% | 0.157 | 52% | 0.515 | C | S | . | . | trans | -75.7 | 51.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A307 A314 Q315 | A307-A309 PolarHBondContact O-N 3.42Å; A309-A314 HydrophobicContact CB-CB 3.89Å; A309-Q315 WeakPolarHBondContact O-CG 3.47Å | ||
| 310 | D | 78.4 | Confident | 89.2 | Confident | 135 Ų | 135 | 95.4 Ų | 95.4 | 72% | 0.722 | 52% | 0.517 | S | S | * | . | trans | -82.6 | -15 | -170.8 | -60.3 | -27.3 | 0 | 0 | 0 | 113.2 | G308 | G308-D310 PolarHBondContact O-N 3.49Š| ||
| 311 | S | 90.1 | Very high | 89.1 | Confident | 69 Ų | 69 | 87.6 Ų | 87.6 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -73.2 | 139.1 | 174.7 | 74.9 | 0 | 0 | 0 | 0 | 111.4 | R313 A314 Q315 | S311-R313 PolarHBondContact O-N 2.91Å; S311-A314 PolarHBondContact O-N 2.82Å; S311-A314 VanDerWaalsContact OG-CB 3.28Å; S311-A314 WeakPolarHBondContact OG-CB 3.31Å; S311-A314 PolarHBondContact OG-N 3.41Å; S311-Q315 PolarHBondContact O-N 2.83Å |
| 312 | L | 91.3 | Very high | 89.2 | Confident | 138 Ų | 138 | 85.9 Ų | 85.9 | 72% | 0.723 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -51.7 | -34.3 | 176.3 | -70.2 | 173.5 | 0 | 0 | 0 | 112.8 | S316 | L312-S316 WeakPolarHBondContact O-CB 3.49Å; L312-S316 PolarHBondContact O-N 3.37Å; L312-S316 PolarHBondContact O-OG 3.25Å |
| 313 | R | 90.8 | Very high | 89.4 | Confident | 220 Ų | 220 | 92 Ų | 92 | 83% | 0.83 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.3 | -45.3 | 177 | -173.1 | 179.8 | -179.1 | -170.7 | 0.4 | 111.9 | S311 S316 H317 | S311-R313 PolarHBondContact O-N 2.91Å; R313-S316 PolarHBondContact O-N 2.9Å; R313-H317 WeakPolarHBondContact O-CB 3.38Å; R313-H317 PolarHBondContact O-N 3.29Å |
| 314 | A | 90.3 | Very high | 89.6 | Confident | 23 Ų | 23 | 90 Ų | 90 | 19% | 0.19 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A309 S311 H317 R318 | A309-A314 HydrophobicContact CB-CB 3.89Å; S311-A314 PolarHBondContact O-N 2.82Å; S311-A314 VanDerWaalsContact OG-CB 3.28Å; S311-A314 WeakPolarHBondContact OG-CB 3.31Å; S311-A314 PolarHBondContact OG-N 3.41Å; A314-H317 PolarHBondContact O-N 2.99Å; A314-R318 WeakPolarHBondContact O-CB 3.42Å; A314-R318 PolarHBondContact O-N 2.95Å |
| 315 | Q | 90.6 | Very high | 89.8 | Confident | 99 Ų | 99 | 84.2 Ų | 84.2 | 46% | 0.463 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.5 | -65.4 | -179.3 | -0.4 | 0 | 0 | 111.9 | A309 S311 R318 A319 | A309-Q315 WeakPolarHBondContact O-CG 3.47Å; S311-Q315 PolarHBondContact O-N 2.83Å; Q315-R318 PolarHBondContact O-N 2.85Å; Q315-A319 WeakPolarHBondContact O-CB 3.39Å; Q315-A319 PolarHBondContact O-N 3.06Å |
| 316 | S | 92.8 | Very high | 90.1 | Very high | 76 Ų | 76 | 85.7 Ų | 85.7 | 53% | 0.531 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | L312 R313 A319 E320 | L312-S316 WeakPolarHBondContact O-CB 3.49Å; L312-S316 PolarHBondContact O-N 3.37Å; L312-S316 PolarHBondContact O-OG 3.25Å; R313-S316 PolarHBondContact O-N 2.9Å; S316-A319 PolarHBondContact O-N 2.94Å; S316-E320 WeakPolarHBondContact O-CB 3.27Å; S316-E320 PolarHBondContact O-N 2.72Å |
| 317 | H | 92.8 | Very high | 90.5 | Very high | 82 Ų | 82 | 87.1 Ų | 87.1 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.2 | -178 | -98 | 0 | 0 | 0 | 112.2 | R313 A314 E320 L321 | R313-H317 WeakPolarHBondContact O-CB 3.38Å; R313-H317 PolarHBondContact O-N 3.29Å; A314-H317 PolarHBondContact O-N 2.99Å; H317-E320 WeakPolarHBondContact O-CB 3.35Å; H317-E320 PolarHBondContact O-N 3.42Å; H317-L321 PolarHBondContact O-N 3.08Å |
| 318 | R | 93.1 | Very high | 91.4 | Very high | 133 Ų | 133 | 82.7 Ų | 82.7 | 50% | 0.502 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 174.4 | -178.7 | 175.5 | 175.4 | 165.6 | 0.6 | 111.6 | L302 L305 A314 Q315 E320 L321 D322 | L302-R318 HydrophobicContact CD1-CG 3.97Å; L305-R318 HydrophobicContact CD1-CB 4.02Å; L305-R318 HydrophobicContact CD1-CG 4.2Å; A314-R318 WeakPolarHBondContact O-CB 3.42Å; A314-R318 PolarHBondContact O-N 2.95Å; Q315-R318 PolarHBondContact O-N 2.85Å; R318-E320 PolarHBondContact O-N 3.36Å; R318-L321 PolarHBondContact O-N 3.44Å; R318-L321 VanDerWaalsContact O-N 3.14Å; R318-D322 PolarHBondContact O-N 3.36Å |
| 319 | A | 94.3 | Very high | 92.5 | Very high | 37 Ų | 37 | 84.1 Ų | 84.1 | 31% | 0.306 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.6 | -33.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q315 S316 R323 | Q315-A319 WeakPolarHBondContact O-CB 3.39Å; Q315-A319 PolarHBondContact O-N 3.06Å; S316-A319 PolarHBondContact O-N 2.94Å; A319-R323 WeakPolarHBondContact O-CB 3.33Å; A319-R323 WeakPolarHBondContact O-CG 3.35Å; A319-R323 PolarHBondContact O-N 3.31Å |
| 320 | E | 95.7 | Very high | 93.9 | Very high | 90 Ų | 90 | 88.9 Ų | 88.9 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.3 | -44.3 | 173.6 | -168.1 | -174.1 | 160.9 | 0 | 0 | 112 | S316 H317 R318 R323 K324 | S316-E320 WeakPolarHBondContact O-CB 3.27Å; S316-E320 PolarHBondContact O-N 2.72Å; H317-E320 WeakPolarHBondContact O-CB 3.35Å; H317-E320 PolarHBondContact O-N 3.42Å; R318-E320 PolarHBondContact O-N 3.36Å; E320-R323 PolarHBondContact O-N 3.29Å; E320-K324 WeakPolarHBondContact O-CG 3.28Å; E320-K324 PolarHBondContact O-N 2.82Å; E320-K324 WeakPolarHBondContact OE1-CE 3.5Å; E320-K324 IonicContact OE1-NZ 3.71Å; E320-K324 PolarHBondContact OE1-NZ 3.3Å |
| 321 | L | 95.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 83.5 Ų | 83.5 | 2% | 0.021 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 174.5 | -71.2 | 177.3 | 0 | 0 | 0 | 111.7 | L298 E301 L302 L305 H317 R318 R323 K324 L325 | L298-L321 HydrophobicContact CD2-CD2 3.76Å; E301-L321 HydrophobicContact CB-CD1 4.15Å; E301-L321 HydrophobicContact CB-CD2 4.38Å; E301-L321 WeakPolarHBondContact OE2-CD2 3.45Å; L302-L321 HydrophobicContact CD1-CB 4.36Å; L302-L321 HydrophobicContact CD1-CD1 4.45Å; L305-L321 HydrophobicContact CD1-CD1 4Å; H317-L321 PolarHBondContact O-N 3.08Å; R318-L321 PolarHBondContact O-N 3.44Å; R318-L321 VanDerWaalsContact O-N 3.14Å; L321-R323 PolarHBondContact O-N 3.1Å; L321-K324 PolarHBondContact O-N 3.23Å; L321-L325 WeakPolarHBondContact O-CB 3.39Å; L321-L325 PolarHBondContact O-N 3.37Å |
| 322 | D | 95.2 | Very high | 95.1 | Very high | 60 Ų | 60 | 81.4 Ų | 81.4 | 32% | 0.321 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 177.5 | -69.9 | -29.6 | 0 | 0 | 0 | 111.4 | R318 L325 V326 | R318-D322 PolarHBondContact O-N 3.36Å; D322-L325 WeakPolarHBondContact O-CB 3.47Å; D322-L325 PolarHBondContact O-N 3.04Å; D322-V326 WeakPolarHBondContact O-CG2 3.43Å; D322-V326 PolarHBondContact O-N 3Å |
| 323 | R | 97.5 | Very high | 95.4 | Very high | 174 Ų | 174 | 81.6 Ų | 81.6 | 66% | 0.657 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 174.7 | -74.4 | 170.1 | -171.2 | 169.1 | 4 | 112.1 | A319 E320 L321 L325 V326 Q327 | A319-R323 WeakPolarHBondContact O-CB 3.33Å; A319-R323 WeakPolarHBondContact O-CG 3.35Å; A319-R323 PolarHBondContact O-N 3.31Å; E320-R323 PolarHBondContact O-N 3.29Å; L321-R323 PolarHBondContact O-N 3.1Å; R323-L325 VanDerWaalsContact C-N 3.32Å; R323-V326 PolarHBondContact O-N 2.98Å; R323-Q327 WeakPolarHBondContact O-CG 3.26Å; R323-Q327 PolarHBondContact O-N 2.87Å; R323-Q327 VanDerWaalsContact O-N 3.12Å |
| 324 | K | 97.5 | Very high | 95.6 | Very high | 80 Ų | 80 | 75.4 Ų | 75.4 | 35% | 0.348 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 176.2 | -72.5 | 173.3 | -175.7 | 164.4 | 0 | 111.1 | L298 E320 L321 Q327 V328 | L298-K324 HydrophobicContact CD1-CB 3.93Å; L298-K324 HydrophobicContact CD2-CB 4.28Å; L298-K324 HydrophobicContact CD2-CD 4.36Å; E320-K324 WeakPolarHBondContact O-CG 3.28Å; E320-K324 PolarHBondContact O-N 2.82Å; E320-K324 WeakPolarHBondContact OE1-CE 3.5Å; E320-K324 IonicContact OE1-NZ 3.71Å; E320-K324 PolarHBondContact OE1-NZ 3.3Å; L321-K324 PolarHBondContact O-N 3.23Å; K324-Q327 PolarHBondContact O-N 3.27Å; K324-V328 WeakPolarHBondContact O-CG2 3.4Å; K324-V328 PolarHBondContact O-N 3.06Å |
| 325 | L | 97.3 | Very high | 95.9 | Very high | 22 Ų | 22 | 76.3 Ų | 76.3 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 177.9 | -169.4 | 72.3 | 0 | 0 | 0 | 111.1 | Q295 L298 L299 L321 D322 R323 Q327 V328 E329 | Q295-L325 HydrophobicContact CG-CD1 3.85Å; L298-L325 HydrophobicContact CB-CD1 4.17Å; L299-L325 HydrophobicContact CD2-CD1 3.92Å; L299-L325 HydrophobicContact CD2-CD2 3.78Å; L299-L325 HydrophobicContact CG-CD1 3.96Å; L321-L325 WeakPolarHBondContact O-CB 3.39Å; L321-L325 PolarHBondContact O-N 3.37Å; D322-L325 WeakPolarHBondContact O-CB 3.47Å; D322-L325 PolarHBondContact O-N 3.04Å; R323-L325 VanDerWaalsContact C-N 3.32Å; L325-Q327 VanDerWaalsContact C-N 3.33Å; L325-Q327 PolarHBondContact O-N 3.3Å; L325-V328 PolarHBondContact O-N 3.4Å; L325-E329 WeakPolarHBondContact O-CB 3.2Å; L325-E329 WeakPolarHBondContact O-CG 3.28Å; L325-E329 PolarHBondContact O-N 2.72Å |
| 326 | V | 97.9 | Very high | 96.1 | Very high | 74 Ų | 74 | 74.9 Ų | 74.9 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 176 | 172 | 0 | 0 | 0 | 0 | 111.3 | D322 R323 V328 E329 E330 | D322-V326 WeakPolarHBondContact O-CG2 3.43Å; D322-V326 PolarHBondContact O-N 3Å; R323-V326 PolarHBondContact O-N 2.98Å; V326-V328 PolarHBondContact O-N 3.07Å; V326-E329 PolarHBondContact O-N 3.39Å; V326-E330 WeakPolarHBondContact O-CG 3.5Å; V326-E330 PolarHBondContact O-N 3.04Å |
| 327 | Q | 97.6 | Very high | 96.2 | Very high | 129 Ų | 129 | 78.3 Ų | 78.3 | 60% | 0.603 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 177.1 | -70.5 | 172.8 | 13 | 0 | 0 | 112.3 | R323 K324 L325 A331 | R323-Q327 WeakPolarHBondContact O-CG 3.26Å; R323-Q327 PolarHBondContact O-N 2.87Å; R323-Q327 VanDerWaalsContact O-N 3.12Å; K324-Q327 PolarHBondContact O-N 3.27Å; L325-Q327 VanDerWaalsContact C-N 3.33Å; L325-Q327 PolarHBondContact O-N 3.3Å; Q327-A331 WeakPolarHBondContact O-CB 3.34Å; Q327-A331 PolarHBondContact O-N 2.8Å |
| 328 | V | 97.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 79 Ų | 79 | 10% | 0.103 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | L291 Q295 L298 K324 L325 V326 A331 I332 | L291-V328 HydrophobicContact CB-CG1 4.48Å; L291-V328 HydrophobicContact CD2-CG1 4.34Å; L291-V328 WeakPolarHBondContact O-CG1 3.18Å; Q295-V328 HydrophobicContact CB-CG1 3.89Å; L298-V328 HydrophobicContact CD1-CG2 4.02Å; K324-V328 WeakPolarHBondContact O-CG2 3.4Å; K324-V328 PolarHBondContact O-N 3.06Å; L325-V328 PolarHBondContact O-N 3.4Å; V326-V328 PolarHBondContact O-N 3.07Å; V328-A331 WeakPolarHBondContact O-CB 3.46Å; V328-A331 PolarHBondContact O-N 3.14Å; V328-I332 HydrophobicContact CG1-CD1 3.78Å; V328-I332 HydrophobicContact CG1-CG1 4.33Å; V328-I332 VanDerWaalsContact O-CG1 3.25Å; V328-I332 WeakPolarHBondContact O-CG1 3.4Å; V328-I332 PolarHBondContact O-N 2.88Å |
| 329 | E | 97 | Very high | 96.1 | Very high | 85 Ų | 85 | 77.4 Ų | 77.4 | 40% | 0.397 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 177.3 | -75.2 | 177.9 | 173.6 | 0 | 0 | 112.6 | Q295 L325 V326 A331 I332 K333 | Q295-E329 PolarHBondContact NE2-OE1 2.97Å; L325-E329 WeakPolarHBondContact O-CB 3.2Å; L325-E329 WeakPolarHBondContact O-CG 3.28Å; L325-E329 PolarHBondContact O-N 2.72Å; V326-E329 PolarHBondContact O-N 3.39Å; E329-A331 VanDerWaalsContact C-N 3.33Å; E329-I332 PolarHBondContact O-N 3.48Å; E329-K333 WeakPolarHBondContact O-CB 3.48Å; E329-K333 PolarHBondContact O-N 3.24Å |
| 330 | E | 97.7 | Very high | 96 | Very high | 119 Ų | 119 | 76.1 Ų | 76.1 | 56% | 0.556 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 172.1 | -73.4 | -178.1 | 172.4 | 0 | 0 | 111.4 | V326 K333 I334 | V326-E330 WeakPolarHBondContact O-CG 3.5Å; V326-E330 PolarHBondContact O-N 3.04Å; E330-K333 WeakPolarHBondContact O-CB 3.03Å; E330-K333 PolarHBondContact O-N 3.26Å; E330-I334 WeakPolarHBondContact O-CG1 3.39Å; E330-I334 PolarHBondContact O-N 3.09Å |
| 331 | A | 96.9 | Very high | 95.9 | Very high | 22 Ų | 22 | 74.2 Ų | 74.2 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L291 Q327 V328 E329 K333 I334 F335 | L291-A331 HydrophobicContact CD1-CB 3.75Å; L291-A331 HydrophobicContact CD2-CB 3.93Å; Q327-A331 WeakPolarHBondContact O-CB 3.34Å; Q327-A331 PolarHBondContact O-N 2.8Å; V328-A331 WeakPolarHBondContact O-CB 3.46Å; V328-A331 PolarHBondContact O-N 3.14Å; E329-A331 VanDerWaalsContact C-N 3.33Å; A331-K333 VanDerWaalsContact C-N 3.26Å; A331-K333 PolarHBondContact O-N 3.35Å; A331-I334 WeakPolarHBondContact O-CA 3.25Å; A331-I334 WeakPolarHBondContact O-CB 3.35Å; A331-I334 PolarHBondContact O-N 3.05Å; A331-F335 HydrophobicContact CB-CD2 4.47Å; A331-F335 WeakPolarHBondContact O-CD2 3.18Å; A331-F335 PolarHBondContact O-N 2.94Å |
| 332 | I | 97.3 | Very high | 95.7 | Very high | 26 Ų | 26 | 77.3 Ų | 77.3 | 13% | 0.133 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57 | -43 | 175.5 | -70.3 | 164.9 | 0 | 0 | 0 | 110.3 | L288 L291 L292 Q295 V328 E329 I334 F335 S336 | L288-I332 HydrophobicContact CD1-CG2 4.06Å; L291-I332 HydrophobicContact CB-CD1 4.3Å; L291-I332 HydrophobicContact CB-CG1 3.64Å; L291-I332 HydrophobicContact CD1-CG1 4.39Å; L292-I332 HydrophobicContact CD2-CD1 4.03Å; L292-I332 HydrophobicContact CD2-CG2 4.4Å; Q295-I332 HydrophobicContact CB-CD1 4.08Å; Q295-I332 HydrophobicContact CG-CD1 4.44Å; V328-I332 HydrophobicContact CG1-CD1 3.78Å; V328-I332 HydrophobicContact CG1-CG1 4.33Å; V328-I332 VanDerWaalsContact O-CG1 3.25Å; V328-I332 WeakPolarHBondContact O-CG1 3.4Å; V328-I332 PolarHBondContact O-N 2.88Å; E329-I332 PolarHBondContact O-N 3.48Å; I332-I334 VanDerWaalsContact C-N 3.26Å; I332-I334 PolarHBondContact O-N 3.39Å; I332-F335 PolarHBondContact O-N 3.19Å; I332-S336 WeakPolarHBondContact O-CB 3.3Å; I332-S336 PolarHBondContact O-N 3.02Å; I332-S336 PolarHBondContact O-OG 3.16Å; I332-S336 VanDerWaalsContact O-OG 3.07Å |
| 333 | K | 97.4 | Very high | 95.5 | Very high | 142 Ų | 142 | 81.1 Ų | 81.1 | 62% | 0.617 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.5 | -35.6 | 176.3 | -174.9 | -179.7 | -178.5 | 178.7 | 0 | 112.3 | E329 E330 A331 S336 | E329-K333 WeakPolarHBondContact O-CB 3.48Å; E329-K333 PolarHBondContact O-N 3.24Å; E330-K333 WeakPolarHBondContact O-CB 3.03Å; E330-K333 PolarHBondContact O-N 3.26Å; A331-K333 VanDerWaalsContact C-N 3.26Å; A331-K333 PolarHBondContact O-N 3.35Å; K333-S336 PolarHBondContact O-OG 2.8Å |
| 334 | I | 95.2 | Very high | 94.9 | Very high | 89 Ų | 89 | 77.3 Ų | 77.3 | 46% | 0.456 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.8 | -50.9 | 174.3 | -65.5 | 163.7 | 0 | 0 | 0 | 110.6 | E330 A331 I332 S336 R337 V340 | E330-I334 WeakPolarHBondContact O-CG1 3.39Å; E330-I334 PolarHBondContact O-N 3.09Å; A331-I334 WeakPolarHBondContact O-CA 3.25Å; A331-I334 WeakPolarHBondContact O-CB 3.35Å; A331-I334 PolarHBondContact O-N 3.05Å; I332-I334 VanDerWaalsContact C-N 3.26Å; I332-I334 PolarHBondContact O-N 3.39Å; I334-S336 VanDerWaalsContact C-N 3.35Å; I334-S336 PolarHBondContact O-N 3.33Å; I334-R337 WeakPolarHBondContact O-CB 3.32Å; I334-R337 PolarHBondContact O-N 3.44Å; I334-V340 HydrophobicContact CG2-CG1 4.19Å; I334-V340 WeakPolarHBondContact O-CG2 3.23Å |
| 335 | F | 96.1 | Very high | 94 | Very high | 43 Ų | 43 | 81.3 Ų | 81.3 | 19% | 0.189 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -76.9 | -16.6 | -174.3 | -70.7 | -75.1 | 0 | 0 | 0 | 114.9 | M279 R284 T287 L288 L291 A331 I332 R337 V340 | M279-F335 HydrophobicContact CE-CE1 4.15Å; M279-F335 HydrophobicContact SD-CD1 4.07Å; M279-F335 HydrophobicContact SD-CE1 3.57Å; M279-F335 VanDerWaalsContact SD-CE1 3.57Å; R284-F335 HydrophobicContact CG-CD1 4.22Å; R284-F335 PolarHBondContact NH1-O 3.38Å; T287-F335 WeakPolarHBondContact OG1-CD1 3.46Å; L288-F335 HydrophobicContact CB-CB 4.34Å; L288-F335 HydrophobicContact CD1-CB 4.21Å; L291-F335 HydrophobicContact CD1-CB 4.45Å; L291-F335 HydrophobicContact CD1-CD2 3.42Å; L291-F335 VanDerWaalsContact CD1-CD2 3.42Å; L291-F335 HydrophobicContact CD1-CE2 4Å; L291-F335 HydrophobicContact CD1-CG 4.21Å; A331-F335 HydrophobicContact CB-CD2 4.47Å; A331-F335 WeakPolarHBondContact O-CD2 3.18Å; A331-F335 PolarHBondContact O-N 2.94Å; I332-F335 PolarHBondContact O-N 3.19Å; F335-R337 PolarHBondContact O-N 2.96Å; F335-V340 HydrophobicContact CD1-CG1 4.14Å; F335-V340 HydrophobicContact CD1-CG2 4.18Å; F335-V340 HydrophobicContact CE1-CG1 3.93Å |
| 336 | S | 95.4 | Very high | 92.1 | Very high | 69 Ų | 69 | 89.6 Ų | 89.6 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.8 | 170.4 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | I332 K333 I334 | I332-S336 WeakPolarHBondContact O-CB 3.3Å; I332-S336 PolarHBondContact O-N 3.02Å; I332-S336 PolarHBondContact O-OG 3.16Å; I332-S336 VanDerWaalsContact O-OG 3.07Å; K333-S336 PolarHBondContact O-OG 2.8Å; I334-S336 VanDerWaalsContact C-N 3.35Å; I334-S336 PolarHBondContact O-N 3.33Å |
| 337 | R | 94.1 | Very high | 91.8 | Very high | 148 Ų | 148 | 90.4 Ų | 90.4 | 56% | 0.558 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -68.4 | 147 | 174.5 | -61.8 | 179.1 | -179.9 | -171 | -1 | 110.5 | R284 I334 F335 K339 | R284-R337 WeakPolarHBondContact CD-O 3.47Å; I334-R337 WeakPolarHBondContact O-CB 3.32Å; I334-R337 PolarHBondContact O-N 3.44Å; F335-R337 PolarHBondContact O-N 2.96Å; R337-K339 VanDerWaalsContact C-N 3.28Å; R337-K339 PolarHBondContact O-N 3.22Å |
| 338 | P | 92.8 | Very high | 91.5 | Very high | 97 Ų | 97 | 88.4 Ų | 88.4 | 63% | 0.63 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -68.8 | -26.9 | -178.7 | 27 | -34.9 | 0 | 0 | 0 | 113.1 | ||
| 339 | K | 91.3 | Very high | 91.1 | Very high | 98 Ų | 98 | 92.3 Ų | 92.3 | 43% | 0.426 | 47% | 0.471 | S | S | . | . | trans | -120.9 | 120.4 | 178.9 | -61.2 | -178.6 | -179.3 | -174.5 | 0 | 109.1 | D269 R337 | D269-K339 IonicContact OD1-NZ 3.98Å; D269-K339 IonicContact OD2-NZ 2.69Å; D269-K339 PolarHBondContact OD2-NZ 3.42Å; R337-K339 VanDerWaalsContact C-N 3.28Å; R337-K339 PolarHBondContact O-N 3.22Å | ||
| 340 | V | 93.3 | Very high | 90.8 | Very high | 10 Ų | 10 | 92.8 Ų | 92.8 | 6% | 0.061 | 48% | 0.475 | C | S | . | . | trans | -122.5 | 132.7 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | M279 R284 I334 F335 | M279-V340 HydrophobicContact CB-CB 4.31Å; M279-V340 PolarHBondContact N-O 3.07Å; R284-V340 HydrophobicContact CG-CG2 4.08Å; I334-V340 HydrophobicContact CG2-CG1 4.19Å; I334-V340 WeakPolarHBondContact O-CG2 3.23Å; F335-V340 HydrophobicContact CD1-CG1 4.14Å; F335-V340 HydrophobicContact CD1-CG2 4.18Å; F335-V340 HydrophobicContact CE1-CG1 3.93Å | ||
| 341 | F | 92 | Very high | 90.4 | Very high | 51 Ų | 51 | 91.1 Ų | 91.1 | 22% | 0.224 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.5 | 177.5 | -59.4 | -75 | 0 | 0 | 0 | 108.7 | M272 H276 T277 R278 | M272-F341 HydrophobicContact CB-CD1 4.36Å; M272-F341 HydrophobicContact CB-CE1 3.87Å; M272-F341 HydrophobicContact CB-CZ 4.23Å; M272-F341 HydrophobicContact CE-CD1 4.35Å; M272-F341 HydrophobicContact CE-CE1 3.84Å; M272-F341 HydrophobicContact CG-CD1 3.88Å; M272-F341 HydrophobicContact CG-CE1 3.82Å; H276-F341 HydrophobicContact CB-CB 4.07Å; T277-F341 CarbonylContact O-C 3.56Å; T277-F341 WeakPolarHBondContact O-CA 3.48Å; R278-F341 HydrophobicContact CB-CD1 4Å; R278-F341 HydrophobicContact CB-CE1 3.93Å; R278-F341 HydrophobicContact CG-CE1 4.43Å |
| 342 | V | 91.4 | Very high | 89.9 | Confident | 68 Ų | 68 | 95.7 Ų | 95.7 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.9 | -179.7 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | H276 T277 M279 | H276-V342 CarbonylContact C-O 3.54Å; H276-V342 VanDerWaalsContact CA-O 3.25Å; H276-V342 WeakPolarHBondContact CA-O 3.48Å; T277-V342 PolarHBondContact N-O 3.11Å; T277-V342 PolarHBondContact O-N 3.07Å; M279-V342 HydrophobicContact CB-CG2 4.05Å; M279-V342 HydrophobicContact CG-CG2 4.34Å; M279-V342 HydrophobicContact SD-CG2 4.45Å |
| 343 | K | 91.7 | Very high | 89.4 | Confident | 141 Ų | 141 | 100.7 Ų | 100.7 | 61% | 0.613 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 131.3 | 174.2 | -174.7 | 179.5 | 174.2 | -174.1 | 0 | 108.4 | ||
| 344 | M | 85.9 | Confident | 88.8 | Confident | 94 Ų | 94 | 97.5 Ų | 97.5 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | trans | -77.8 | 129.4 | 174.1 | -57.7 | -63.9 | -86.6 | 0 | 0 | 108.5 | G275 T277 T346 | G275-M344 PolarHBondContact O-N 2.87Å; T277-M344 WeakPolarHBondContact OG1-CG 3.38Å; T277-M344 PolarHBondContact OG1-SD 3.4Å; M344-T346 VanDerWaalsContact C-N 3.32Å; M344-T346 HydrophobicContact CB-CG2 4.37Å; M344-T346 PolarHBondContact O-N 2.74Å; M344-T346 VanDerWaalsContact O-N 3.08Å | ||
| 345 | D | 78.4 | Confident | 88.3 | Confident | 163 Ų | 163 | 98.3 Ų | 98.3 | 87% | 0.872 | 51% | 0.512 | S | S | * | . | trans | -78.5 | 86.9 | 169.8 | -60.6 | -37 | 0 | 0 | 0 | 107.5 | ||||
| 346 | T | 56.6 | Low | 87.5 | Confident | 197 Ų | 197 | 103.3 Ų | 103.3 | 100% | 1.209 | 54% | 0.541 | S | S | * | . | trans | -96.4 | 0 | 170.8 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | M344 | M344-T346 VanDerWaalsContact C-N 3.32Å; M344-T346 HydrophobicContact CB-CG2 4.37Å; M344-T346 PolarHBondContact O-N 2.74Å; M344-T346 VanDerWaalsContact O-N 3.08Å |
Retrieved 346 of 346 residues in 59.3 ms
(Link to these results)