| 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 | 34.7 | Very low | 36.5 | Very low | 184 Ų | 184 | 106.4 Ų | 106.4 | 91% | 0.906 | 61% | 0.605 | S | S | * | * | 0 | -39 | 0 | -122.1 | 174.6 | -169.3 | 0 | 0 | 111.4 | |||||
| 2 | C | 31.6 | Very low | 36.8 | Very low | 93 Ų | 93 | 107.4 Ų | 107.4 | 63% | 0.628 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.5 | -31.7 | 175.8 | -57.3 | 0 | 0 | 0 | 0 | 114.3 | N4 L5 L6 | C2-N4 PolarHBondContact O-N 3.04Å; C2-L5 PolarHBondContact O-N 3.15Å; C2-L6 WeakPolarHBondContact O-CG 3.43Å; C2-L6 PolarHBondContact O-N 3.33Å |
| 3 | D | 32.2 | Very low | 36.6 | Very low | 122 Ų | 122 | 114.8 Ų | 114.8 | 65% | 0.652 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.4 | -30.7 | -179 | -58.7 | -40.6 | 0 | 0 | 0 | 113.7 | L6 S7 | D3-L6 PolarHBondContact O-N 3.34Å; D3-S7 PolarHBondContact O-N 3.46Å |
| 4 | N | 38.6 | Very low | 36.6 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 60% | 0.599 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.1 | -29.6 | 176.3 | -66.3 | -9.2 | 0 | 0 | 0 | 111.9 | C2 S7 D8 | C2-N4 PolarHBondContact O-N 3.04Å; N4-S7 PolarHBondContact O-OG 3.25Å; N4-D8 WeakPolarHBondContact O-CB 3.26Å; N4-D8 PolarHBondContact O-N 3.11Å |
| 5 | L | 36.3 | Very low | 36.5 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 64% | 0.644 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.3 | -33.8 | 174.2 | -90 | 153.2 | 0 | 0 | 0 | 112 | C2 A9 | C2-L5 PolarHBondContact O-N 3.15Å; L5-A9 VanDerWaalsContact O-CB 3.23Å; L5-A9 WeakPolarHBondContact O-CB 3.46Å; L5-A9 PolarHBondContact O-N 3.37Å |
| 6 | L | 37.4 | Very low | 36.2 | Very low | 94 Ų | 94 | 121.4 Ų | 121.4 | 49% | 0.492 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -75.4 | -32.5 | 177.4 | -71.7 | 165.2 | 0 | 0 | 0 | 112.3 | C2 D3 V11 | C2-L6 WeakPolarHBondContact O-CG 3.43Å; C2-L6 PolarHBondContact O-N 3.33Å; D3-L6 PolarHBondContact O-N 3.34Å; L6-V11 PolarHBondContact O-N 3.33Å |
| 7 | S | 40.5 | Very low | 35.8 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.4 | -37.2 | 173.5 | 80.5 | 0 | 0 | 0 | 0 | 112.8 | D3 N4 A9 D10 | D3-S7 PolarHBondContact O-N 3.46Å; N4-S7 PolarHBondContact O-OG 3.25Å; S7-A9 VanDerWaalsContact C-N 3.27Å; S7-A9 PolarHBondContact O-N 3.3Å; S7-D10 PolarHBondContact O-N 2.9Å |
| 8 | D | 39.7 | Very low | 35.4 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 51% | 0.513 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -69.8 | -23.1 | 176.9 | -89.1 | -21.9 | 0 | 0 | 0 | 113.4 | N4 R39 | N4-D8 WeakPolarHBondContact O-CB 3.26Å; N4-D8 PolarHBondContact O-N 3.11Å; D8-R39 PolarHBondContact O-NH2 3.34Å |
| 9 | A | 38.7 | Very low | 35.1 | Very low | 62 Ų | 62 | 119.7 Ų | 119.7 | 51% | 0.512 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | 2.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L5 S7 V11 | L5-A9 VanDerWaalsContact O-CB 3.23Å; L5-A9 WeakPolarHBondContact O-CB 3.46Å; L5-A9 PolarHBondContact O-N 3.37Å; S7-A9 VanDerWaalsContact C-N 3.27Å; S7-A9 PolarHBondContact O-N 3.3Å; A9-V11 HydrophobicContact CB-CG2 3.97Å; A9-V11 PolarHBondContact O-N 3.06Å |
| 10 | D | 37 | Very low | 35 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 69% | 0.69 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.9 | 30 | 179.7 | -155.7 | 20.6 | 0 | 0 | 0 | 113.8 | S7 T12 | S7-D10 PolarHBondContact O-N 2.9Å; D10-T12 PolarHBondContact O-N 3.24Å; D10-T12 VanDerWaalsContact O-N 3.15Å |
| 11 | V | 35.1 | Very low | 34.9 | Very low | 71 Ų | 71 | 121.9 Ų | 121.9 | 43% | 0.43 | 65% | 0.647 | S | S | . | * | trans | -88.7 | 79.7 | 179.1 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | L6 A9 R13 | L6-V11 PolarHBondContact O-N 3.33Å; A9-V11 HydrophobicContact CB-CG2 3.97Å; A9-V11 PolarHBondContact O-N 3.06Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 2.8Å | ||
| 12 | T | 39.6 | Very low | 34.8 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 73% | 0.73 | 64% | 0.636 | S | S | * | * | trans | -83.4 | 1.6 | -176.5 | 44.5 | 0 | 0 | 0 | 0 | 114.8 | D10 | D10-T12 PolarHBondContact O-N 3.24Å; D10-T12 VanDerWaalsContact O-N 3.15Å | ||
| 13 | R | 34.8 | Very low | 34.8 | Very low | 203 Ų | 203 | 120.7 Ų | 120.7 | 77% | 0.766 | 64% | 0.641 | S | S | * | * | trans | -114.8 | 110.7 | -176.1 | -69.3 | -170.9 | 178.6 | -173.3 | 0.4 | 112.6 | V11 H15 | V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 2.8Å; R13-H15 PolarHBondContact O-N 3.22Å | ||
| 14 | Q | 35.9 | Very low | 34.9 | Very low | 190 Ų | 190 | 120.9 Ų | 120.9 | 89% | 0.888 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 13.9 | -179.9 | -68.8 | -177.1 | -27.8 | 0 | 0 | 116 | ||
| 15 | H | 35.3 | Very low | 34.4 | Very low | 181 Ų | 181 | 122.2 Ų | 122.2 | 84% | 0.838 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | 10.4 | -170 | -72.9 | -68.3 | 0 | 0 | 0 | 115.7 | R13 | R13-H15 PolarHBondContact O-N 3.22Š|
| 16 | T | 32.2 | Very low | 34 | Very low | 79 Ų | 79 | 121.6 Ų | 121.6 | 49% | 0.485 | 65% | 0.652 | S | S | . | * | trans | -77.1 | 134.1 | 175.1 | 49.5 | 0 | 0 | 0 | 0 | 111.1 | F18 G19 | T16-F18 PolarHBondContact O-N 3.46Å; T16-G19 PolarHBondContact O-N 2.91Å | ||
| 17 | V | 29.8 | Very low | 33.7 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.7 | -26 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 113.2 | G19 K20 | V17-G19 VanDerWaalsContact C-N 3.26Å; V17-G19 PolarHBondContact O-N 2.84Å; V17-K20 PolarHBondContact O-N 2.9Å; V17-K20 VanDerWaalsContact O-N 3.16Å |
| 18 | F | 28.6 | Very low | 33.2 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 74% | 0.741 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -52.7 | -30.1 | 171.3 | -115.4 | -93.9 | 0 | 0 | 0 | 116.2 | T16 | T16-F18 PolarHBondContact O-N 3.46Å |
| 19 | G | 29.9 | Very low | 32.6 | Very low | 50 Ų | 50 | 125.5 Ų | 125.5 | 52% | 0.515 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -79.1 | -19.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T16 V17 | T16-G19 PolarHBondContact O-N 2.91Å; V17-G19 VanDerWaalsContact C-N 3.26Å; V17-G19 PolarHBondContact O-N 2.84Å |
| 20 | K | 31.5 | Very low | 32 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 71% | 0.709 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -87.7 | -25.4 | -177.8 | -79.5 | -177.5 | 172.7 | -178.9 | 0 | 113.1 | V17 | V17-K20 PolarHBondContact O-N 2.9Å; V17-K20 VanDerWaalsContact O-N 3.16Å |
| 21 | E | 34.1 | Very low | 31.6 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 57% | 0.565 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -91 | -18.1 | -172.6 | -103.2 | 58 | -175.1 | 0 | 0 | 112.8 | V23 | E21-V23 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 3.09Å |
| 22 | L | 31.6 | Very low | 31.2 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 68% | 0.681 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -12.9 | 175.8 | -84.5 | 160.6 | 0 | 0 | 0 | 113.9 | ||
| 23 | V | 33 | Very low | 30.7 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -11.4 | -178.8 | -178.8 | 0 | 0 | 0 | 0 | 112.5 | E21 | E21-V23 VanDerWaalsContact C-N 3.3Å; E21-V23 PolarHBondContact O-N 3.09Å |
| 24 | N | 33.6 | Very low | 30.2 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -110.4 | 9.4 | -170.3 | -75.5 | -28.5 | 0 | 0 | 0 | 115.6 | ||
| 25 | L | 28.9 | Very low | 30 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | -92.9 | 122.8 | -179.4 | -78.8 | 161.9 | 0 | 0 | 0 | 112 | ||||
| 26 | P | 27.1 | Very low | 29.6 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 71% | 0.714 | 71% | 0.711 | S | S | * | * | trans | -67.9 | 143.3 | -176.5 | -8 | 19.8 | 0 | 0 | 0 | 113.3 | S28 | P26-S28 PolarHBondContact O-N 3.04Š| ||
| 27 | C | 30.1 | Very low | 29.4 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 92% | 0.919 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -86.8 | 33.2 | -162.3 | -143.6 | 0 | 0 | 0 | 0 | 116 | ||
| 28 | S | 30.2 | Very low | 29.4 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -125 | 13 | -169 | 59.5 | 0 | 0 | 0 | 0 | 117.6 | P26 | P26-S28 PolarHBondContact O-N 3.04Š|
| 29 | C | 27.6 | Very low | 29.4 | Very low | 116 Ų | 116 | 135 Ų | 135 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | trans | -133.5 | 14 | -178.7 | -59.5 | 0 | 0 | 0 | 0 | 115.9 | H31 | C29-H31 PolarHBondContact O-N 2.84Š| ||
| 30 | C | 26.1 | Very low | 29.6 | Very low | 120 Ų | 120 | 139 Ų | 139 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | -94 | 94.6 | -174.8 | -61 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 31 | H | 28 | Very low | 29.7 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 91% | 0.912 | 73% | 0.728 | S | S | * | * | trans | -81.1 | 126.3 | 154.3 | -87.2 | -83 | 0 | 0 | 0 | 108.7 | C29 | C29-H31 PolarHBondContact O-N 2.84Š| ||
| 32 | E | 27.8 | Very low | 29.9 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | trans | -69.3 | 128.2 | -166.4 | -63.4 | -178 | 117.4 | 0 | 0 | 114.6 | K34 | E32-K34 IonicContact OE1-NZ 3.37Å; E32-K34 PolarHBondContact OE1-NZ 3.35Å | ||
| 33 | E | 28.1 | Very low | 30.5 | Very low | 160 Ų | 160 | 132 Ų | 132 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | -128.3 | 114.3 | 154 | -79.5 | -170.7 | 155.3 | 0 | 0 | 109.2 | ||||
| 34 | K | 25.4 | Very low | 30.9 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 63% | 0.63 | 72% | 0.721 | S | S | * | * | trans | -104.8 | 109.7 | 179 | -74.1 | 173.5 | -177.1 | 141.7 | 0 | 109.4 | E32 | E32-K34 IonicContact OE1-NZ 3.37Å; E32-K34 PolarHBondContact OE1-NZ 3.35Å | ||
| 35 | H | 30.5 | Very low | 31.6 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 69% | 0.69 | 70% | 0.704 | S | S | * | * | trans | -90.5 | 119.7 | 168.4 | -73.1 | -80.7 | 0 | 0 | 0 | 110.4 | F37 | H35-F37 HydrophobicContact CB-CD2 4.36Å; H35-F37 HydrophobicContact CB-CE2 4.01Å | ||
| 36 | V | 26.6 | Very low | 32.3 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | trans | -90.8 | 110.4 | 174 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | T38 | V36-T38 HydrophobicContact CG1-CG2 4Š| ||
| 37 | F | 29.7 | Very low | 33 | Very low | 189 Ų | 189 | 129.6 Ų | 129.6 | 83% | 0.829 | 68% | 0.675 | S | S | * | * | trans | -95.8 | 118.1 | 169.8 | -79.1 | -89.1 | 0 | 0 | 0 | 109 | H35 | H35-F37 HydrophobicContact CB-CD2 4.36Å; H35-F37 HydrophobicContact CB-CE2 4.01Å | ||
| 38 | T | 29.1 | Very low | 33.9 | Very low | 75 Ų | 75 | 127.4 Ų | 127.4 | 46% | 0.46 | 65% | 0.654 | S | S | . | * | trans | -109.6 | 128 | 173 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | V36 N40 | V36-T38 HydrophobicContact CG1-CG2 4Å; T38-N40 PolarHBondContact O-N 3.42Å; T38-N40 PolarHBondContact OG1-O 2.95Å | ||
| 39 | R | 28.6 | Very low | 34.9 | Very low | 206 Ų | 206 | 130.2 Ų | 130.2 | 78% | 0.777 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -64.6 | -20.6 | 171.5 | -81.3 | -174.9 | -179.1 | 178.6 | 4.8 | 113.4 | D8 | D8-R39 PolarHBondContact O-NH2 3.34Š|
| 40 | N | 33.3 | Very low | 35.7 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -99.6 | 142 | -177.5 | -63.1 | -22.9 | 0 | 0 | 0 | 110.4 | T38 L42 | T38-N40 PolarHBondContact O-N 3.42Å; T38-N40 PolarHBondContact OG1-O 2.95Å; N40-L42 PolarHBondContact O-N 3.27Å |
| 41 | T | 33.7 | Very low | 36.6 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 72% | 0.718 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 122.7 | 170.6 | 39.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 42 | L | 38.7 | Very low | 37.9 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 37% | 0.372 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 146.6 | 175.1 | -76.1 | 156.9 | 0 | 0 | 0 | 110.4 | N40 C46 L69 | N40-L42 PolarHBondContact O-N 3.27Å; L42-C46 HydrophobicContact CB-CB 4.2Å; L42-L69 HydrophobicContact CD1-CD2 3.46Å; L42-L69 VanDerWaalsContact CD1-CD2 3.46Å |
| 43 | P | 44.2 | Very low | 38.9 | Very low | 79 Ų | 79 | 120.6 Ų | 120.6 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 143.2 | 172.6 | -25.5 | 34.8 | 0 | 0 | 0 | 111.8 | D45 C46 | P43-D45 WeakPolarHBondContact CB-OD1 3.45Å; P43-D45 PolarHBondContact O-N 2.87Å; P43-C46 VanDerWaalsContact O-CB 3.25Å; P43-C46 WeakPolarHBondContact O-CB 3.45Å; P43-C46 PolarHBondContact O-N 3.17Å; P43-C46 PolarHBondContact O-SG 3.06Å; P43-C46 VanDerWaalsContact O-SG 3.41Å |
| 44 | Q | 42.2 | Very low | 39.6 | Very low | 204 Ų | 204 | 115.9 Ų | 115.9 | 95% | 0.953 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -26.5 | -179.2 | -83.7 | -177.9 | -22.2 | 0 | 0 | 113.5 | ||
| 45 | D | 47.7 | Very low | 40.7 | Very low | 60 Ų | 60 | 114.2 Ų | 114.2 | 32% | 0.321 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | 6.2 | 179.7 | 71.5 | -31.3 | 0 | 0 | 0 | 113.8 | P43 Y47 D48 R49 | P43-D45 WeakPolarHBondContact CB-OD1 3.45Å; P43-D45 PolarHBondContact O-N 2.87Å; D45-Y47 VanDerWaalsContact C-N 3.29Å; D45-Y47 PolarHBondContact O-N 2.7Å; D45-D48 PolarHBondContact O-N 2.87Å; D45-R49 WeakPolarHBondContact O-CB 3.45Å; D45-R49 WeakPolarHBondContact O-CG 3.49Å; D45-R49 PolarHBondContact O-N 3.34Å; D45-R49 IonicContact OD2-CZ 3.11Å; D45-R49 IonicContact OD2-NE 3.76Å; D45-R49 PolarHBondContact OD2-NE 3.48Å; D45-R49 IonicContact OD2-NH2 3.42Å; D45-R49 PolarHBondContact OD2-NH2 3.38Å |
| 46 | C | 43.5 | Very low | 41.6 | Very low | 39 Ų | 39 | 117.1 Ų | 117.1 | 26% | 0.264 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.7 | -36.7 | -175.5 | 75.8 | 0 | 0 | 0 | 0 | 112.6 | L42 P43 F50 | L42-C46 HydrophobicContact CB-CB 4.2Å; P43-C46 VanDerWaalsContact O-CB 3.25Å; P43-C46 WeakPolarHBondContact O-CB 3.45Å; P43-C46 PolarHBondContact O-N 3.17Å; P43-C46 PolarHBondContact O-SG 3.06Å; P43-C46 VanDerWaalsContact O-SG 3.41Å; C46-F50 WeakPolarHBondContact O-CB 3.45Å; C46-F50 PolarHBondContact O-N 3.48Å |
| 47 | Y | 41.4 | Very low | 42.2 | Very low | 147 Ų | 147 | 120.7 Ų | 120.7 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.7 | -44 | 178.2 | -177.9 | -95.8 | 0 | 0 | 0 | 111.3 | D45 F50 K51 | D45-Y47 VanDerWaalsContact C-N 3.29Å; D45-Y47 PolarHBondContact O-N 2.7Å; Y47-F50 PolarHBondContact O-N 3.42Å; Y47-K51 HydrophobicContact CE1-CD 4.42Å; Y47-K51 WeakPolarHBondContact O-CB 3.32Å; Y47-K51 PolarHBondContact O-N 3.34Å |
| 48 | D | 49.6 | Very low | 42.5 | Very low | 89 Ų | 89 | 114.6 Ų | 114.6 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.9 | -38.7 | 178.2 | -65.6 | -38.4 | 0 | 0 | 0 | 111.7 | D45 F50 N52 | D45-D48 PolarHBondContact O-N 2.87Å; D48-F50 VanDerWaalsContact C-N 3.34Å; D48-F50 PolarHBondContact O-N 2.96Å; D48-N52 VanDerWaalsContact O-CB 3.28Å; D48-N52 WeakPolarHBondContact O-CB 3.34Å; D48-N52 PolarHBondContact O-N 3.18Å; D48-N52 PolarHBondContact O-ND2 2.9Å |
| 49 | R | 51.4 | Low | 42.9 | Very low | 162 Ų | 162 | 117.1 Ų | 117.1 | 61% | 0.611 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.3 | -38.7 | 172.4 | -75.7 | -179.3 | 176.7 | -154.3 | -4.6 | 112.5 | D45 N53 | D45-R49 WeakPolarHBondContact O-CB 3.45Å; D45-R49 WeakPolarHBondContact O-CG 3.49Å; D45-R49 PolarHBondContact O-N 3.34Å; D45-R49 IonicContact OD2-CZ 3.11Å; D45-R49 IonicContact OD2-NE 3.76Å; D45-R49 PolarHBondContact OD2-NE 3.48Å; D45-R49 IonicContact OD2-NH2 3.42Å; D45-R49 PolarHBondContact OD2-NH2 3.38Å; R49-N53 WeakPolarHBondContact O-CB 3.48Å; R49-N53 PolarHBondContact O-N 3.41Å; R49-N53 PolarHBondContact O-ND2 3.13Å |
| 50 | F | 43.5 | Very low | 43.1 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 45% | 0.447 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.7 | -46.5 | 178.4 | -179.4 | -106.9 | 0 | 0 | 0 | 111.4 | C46 Y47 D48 N52 N53 L54 W67 | C46-F50 WeakPolarHBondContact O-CB 3.45Å; C46-F50 PolarHBondContact O-N 3.48Å; Y47-F50 PolarHBondContact O-N 3.42Å; D48-F50 VanDerWaalsContact C-N 3.34Å; D48-F50 PolarHBondContact O-N 2.96Å; F50-N52 PolarHBondContact O-N 3.42Å; F50-N53 WeakPolarHBondContact O-CB 3.43Å; F50-N53 PolarHBondContact O-N 2.86Å; F50-N53 VanDerWaalsContact O-N 3.12Å; F50-L54 HydrophobicContact CD1-CD1 3.8Å; F50-L54 HydrophobicContact CE1-CD1 3.29Å; F50-L54 HydrophobicContact CE1-CG 4.47Å; F50-L54 HydrophobicContact CE2-CD1 4.36Å; F50-L54 HydrophobicContact CZ-CD1 3.61Å; F50-L54 HydrophobicContact CZ-CG 4.44Å; F50-L54 PolarHBondContact O-N 2.91Å; F50-W67 HydrophobicContact CE1-CZ3 4.34Å; F50-W67 HydrophobicContact CZ-CZ3 4.06Å |
| 51 | K | 46.7 | Very low | 43.1 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 46% | 0.457 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.3 | -48 | 175.5 | -172.5 | 178.8 | 177.1 | -177.2 | 0 | 112.1 | Y47 N53 L54 D55 | Y47-K51 HydrophobicContact CE1-CD 4.42Å; Y47-K51 WeakPolarHBondContact O-CB 3.32Å; Y47-K51 PolarHBondContact O-N 3.34Å; K51-N53 PolarHBondContact O-N 2.9Å; K51-L54 PolarHBondContact O-N 3.43Å; K51-L54 VanDerWaalsContact O-N 3.14Å; K51-D55 PolarHBondContact O-N 3.39Å |
| 52 | N | 53.7 | Low | 43.1 | Very low | 92 Ų | 92 | 120.3 Ų | 120.3 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.1 | -29.7 | 176.2 | -75.8 | -37.8 | 0 | 0 | 0 | 113.2 | D48 F50 R56 | D48-N52 VanDerWaalsContact O-CB 3.28Å; D48-N52 WeakPolarHBondContact O-CB 3.34Å; D48-N52 PolarHBondContact O-N 3.18Å; D48-N52 PolarHBondContact O-ND2 2.9Å; F50-N52 PolarHBondContact O-N 3.42Å; N52-R56 WeakPolarHBondContact O-CB 3.44Å; N52-R56 WeakPolarHBondContact O-CG 3.32Å; N52-R56 PolarHBondContact O-N 3.49Å; N52-R56 VanDerWaalsContact O-N 3.13Å |
| 53 | N | 48.7 | Very low | 42.8 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 44% | 0.439 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.3 | -34.7 | 175 | -88.3 | -62.8 | 0 | 0 | 0 | 112.9 | R49 F50 K51 R57 | R49-N53 WeakPolarHBondContact O-CB 3.48Å; R49-N53 PolarHBondContact O-N 3.41Å; R49-N53 PolarHBondContact O-ND2 3.13Å; F50-N53 WeakPolarHBondContact O-CB 3.43Å; F50-N53 PolarHBondContact O-N 2.86Å; F50-N53 VanDerWaalsContact O-N 3.12Å; K51-N53 PolarHBondContact O-N 2.9Å; N53-R57 WeakPolarHBondContact O-CG 3.48Å; N53-R57 PolarHBondContact O-N 2.76Å |
| 54 | L | 42.9 | Very low | 42.1 | Very low | 61 Ų | 61 | 120.9 Ų | 120.9 | 32% | 0.319 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.7 | -44.7 | 172.3 | -89.1 | 158.7 | 0 | 0 | 0 | 111.3 | F50 K51 R56 R57 Q59 | F50-L54 HydrophobicContact CD1-CD1 3.8Å; F50-L54 HydrophobicContact CE1-CD1 3.29Å; F50-L54 HydrophobicContact CE1-CG 4.47Å; F50-L54 HydrophobicContact CE2-CD1 4.36Å; F50-L54 HydrophobicContact CZ-CD1 3.61Å; F50-L54 HydrophobicContact CZ-CG 4.44Å; F50-L54 PolarHBondContact O-N 2.91Å; K51-L54 PolarHBondContact O-N 3.43Å; K51-L54 VanDerWaalsContact O-N 3.14Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.15Å; L54-R57 PolarHBondContact O-N 3.09Å; L54-R57 VanDerWaalsContact O-N 3.08Å; L54-Q59 HydrophobicContact CD2-CB 4.44Å |
| 55 | D | 49.3 | Very low | 41.6 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.8 | -38.6 | 177.3 | -72.6 | -27.1 | 0 | 0 | 0 | 111.7 | K51 R57 G58 | K51-D55 PolarHBondContact O-N 3.39Å; D55-R57 VanDerWaalsContact C-N 3.28Å; D55-R57 PolarHBondContact O-N 3.43Å; D55-G58 PolarHBondContact O-N 3.34Å |
| 56 | R | 48.2 | Very low | 40.8 | Very low | 210 Ų | 210 | 117 Ų | 117 | 79% | 0.792 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67 | -23 | 174 | -79 | 175.8 | -176.8 | -174.9 | 1.2 | 114.2 | N52 L54 | N52-R56 WeakPolarHBondContact O-CB 3.44Å; N52-R56 WeakPolarHBondContact O-CG 3.32Å; N52-R56 PolarHBondContact O-N 3.49Å; N52-R56 VanDerWaalsContact O-N 3.13Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 3.15Å |
| 57 | R | 40.3 | Very low | 40 | Very low | 201 Ų | 201 | 123.1 Ų | 123.1 | 76% | 0.758 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 4.8 | -177.8 | -75.3 | -177 | -179.6 | -157.3 | 0.8 | 113.7 | N53 L54 D55 Q59 | N53-R57 WeakPolarHBondContact O-CG 3.48Å; N53-R57 PolarHBondContact O-N 2.76Å; L54-R57 PolarHBondContact O-N 3.09Å; L54-R57 VanDerWaalsContact O-N 3.08Å; D55-R57 VanDerWaalsContact C-N 3.28Å; D55-R57 PolarHBondContact O-N 3.43Å; R57-Q59 PolarHBondContact O-N 3.05Å; R57-Q59 VanDerWaalsContact O-N 3.11Å |
| 58 | G | 36.9 | Very low | 39.3 | Very low | 62 Ų | 62 | 126.3 Ų | 126.3 | 64% | 0.639 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.7 | 12.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D55 R60 | D55-G58 PolarHBondContact O-N 3.34Å; G58-R60 PolarHBondContact O-N 3.29Å |
| 59 | Q | 36.2 | Very low | 38.1 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 59% | 0.593 | 61% | 0.614 | S | S | * | * | trans | -80 | 85.5 | 175.8 | -74 | -160 | -14.9 | 0 | 0 | 109.8 | L54 R57 S61 | L54-Q59 HydrophobicContact CD2-CB 4.44Å; R57-Q59 PolarHBondContact O-N 3.05Å; R57-Q59 VanDerWaalsContact O-N 3.11Å; Q59-S61 VanDerWaalsContact C-N 3.25Å; Q59-S61 PolarHBondContact O-N 3.04Å | ||
| 60 | R | 32.3 | Very low | 37 | Very low | 256 Ų | 256 | 126.3 Ų | 126.3 | 97% | 0.966 | 62% | 0.617 | S | S | * | * | trans | -75.6 | 76.4 | 165.8 | -70.4 | -175.8 | 179.8 | -175.9 | 0.8 | 109.5 | G58 | G58-R60 PolarHBondContact O-N 3.29Š| ||
| 61 | S | 33.4 | Very low | 36.2 | Very low | 84 Ų | 84 | 123.7 Ų | 123.7 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | trans | -131.1 | 124.4 | 163.4 | 46.8 | 0 | 0 | 0 | 0 | 108.3 | Q59 | Q59-S61 VanDerWaalsContact C-N 3.25Å; Q59-S61 PolarHBondContact O-N 3.04Å | ||
| 62 | H | 35.1 | Very low | 35.2 | Very low | 183 Ų | 183 | 125.8 Ų | 125.8 | 85% | 0.847 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -48 | 128.6 | 170.2 | -68.5 | -79.8 | 0 | 0 | 0 | 108.6 | ||
| 63 | P | 30.9 | Very low | 34 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 62% | 0.623 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.1 | 174.5 | 24.4 | -30.9 | 0 | 0 | 0 | 108 | ||
| 64 | P | 30 | Very low | 33.1 | Very low | 67 Ų | 67 | 128.4 Ų | 128.4 | 44% | 0.435 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -52.1 | 148.3 | 173.9 | -22 | 29.4 | 0 | 0 | 0 | 110.5 | S66 | P64-S66 PolarHBondContact O-N 3.29Š|
| 65 | P | 32.4 | Very low | 32.4 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 0.3 | -174.9 | -20.4 | 31.4 | 0 | 0 | 0 | 116 | ||
| 66 | S | 31.1 | Very low | 31.4 | Very low | 70 Ų | 70 | 129 Ų | 129 | 49% | 0.49 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.6 | 7.2 | -165 | 51.4 | 0 | 0 | 0 | 0 | 115.4 | P64 W68 | P64-S66 PolarHBondContact O-N 3.29Å; S66-W68 PolarHBondContact O-N 3.08Å; S66-W68 VanDerWaalsContact O-N 3.1Å |
| 67 | W | 25.6 | Very low | 30.2 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 63% | 0.633 | 66% | 0.655 | S | S | * | * | trans | -83.4 | 89.8 | 179.8 | -71.1 | 52.8 | 0 | 0 | 0 | 110.8 | F50 | F50-W67 HydrophobicContact CE1-CZ3 4.34Å; F50-W67 HydrophobicContact CZ-CZ3 4.06Å | ||
| 68 | W | 27.1 | Very low | 29.4 | Very low | 213 Ų | 213 | 126.2 Ų | 126.2 | 81% | 0.807 | 66% | 0.663 | S | S | * | * | trans | -110 | 118.2 | 169.8 | -63.4 | 93.5 | 0 | 0 | 0 | 110.2 | S66 I70 | S66-W68 PolarHBondContact O-N 3.08Å; S66-W68 VanDerWaalsContact O-N 3.1Å; W68-I70 HydrophobicContact CB-CG1 4.25Å; W68-I70 PolarHBondContact O-N 3.27Å | ||
| 69 | L | 24.6 | Very low | 28.8 | Very low | 123 Ų | 123 | 127 Ų | 127 | 64% | 0.644 | 66% | 0.664 | S | S | * | * | trans | -87.1 | 93.6 | 174.6 | -142.8 | 135.1 | 0 | 0 | 0 | 107.5 | L42 | L42-L69 HydrophobicContact CD1-CD2 3.46Å; L42-L69 VanDerWaalsContact CD1-CD2 3.46Å | ||
| 70 | I | 28.4 | Very low | 28.2 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | trans | -90.9 | 114.7 | -177.2 | -56.9 | 175.7 | 0 | 0 | 0 | 108.6 | W68 L75 | W68-I70 HydrophobicContact CB-CG1 4.25Å; W68-I70 PolarHBondContact O-N 3.27Å; I70-L75 HydrophobicContact CG2-CD1 4.16Å | ||
| 71 | T | 26.4 | Very low | 27.8 | Very low | 48 Ų | 48 | 125 Ų | 125 | 29% | 0.294 | 67% | 0.669 | S | S | . | * | trans | -92.2 | 142 | 170.6 | 59.3 | 0 | 0 | 0 | 0 | 109.6 | A73 Q74 | T71-A73 PolarHBondContact O-N 2.92Å; T71-Q74 PolarHBondContact O-N 2.81Å | ||
| 72 | D | 26.5 | Very low | 27.2 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -56.2 | -15.1 | -176.8 | -111.1 | -20.8 | 0 | 0 | 0 | 114.2 | ||
| 73 | A | 27.6 | Very low | 26.8 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 58% | 0.579 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -79.7 | -14.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T71 | T71-A73 PolarHBondContact O-N 2.92Š|
| 74 | Q | 29.6 | Very low | 26.4 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -99.7 | -5.6 | -174.6 | -70.9 | -170.9 | -39 | 0 | 0 | 115.3 | T71 S76 | T71-Q74 PolarHBondContact O-N 2.81Å; Q74-S76 VanDerWaalsContact C-N 3.29Å; Q74-S76 PolarHBondContact O-N 2.99Å |
| 75 | L | 29.5 | Very low | 26.2 | Very low | 85 Ų | 85 | 127 Ų | 127 | 45% | 0.445 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | 8.1 | -174.9 | -77.8 | 152.3 | 0 | 0 | 0 | 114.8 | I70 F100 | I70-L75 HydrophobicContact CG2-CD1 4.16Å; L75-F100 HydrophobicContact CD1-CE1 3.56Å; L75-F100 HydrophobicContact CD1-CZ 3.77Å; L75-F100 HydrophobicContact CD2-CZ 4.24Å; L75-F100 HydrophobicContact CG-CZ 4.49Å |
| 76 | S | 27 | Very low | 25.9 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 7.6 | -173.8 | 57.5 | 0 | 0 | 0 | 0 | 115.3 | Q74 | Q74-S76 VanDerWaalsContact C-N 3.29Å; Q74-S76 PolarHBondContact O-N 2.99Å |
| 77 | R | 23.8 | Very low | 25.6 | Very low | 211 Ų | 211 | 138.6 Ų | 138.6 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -136.4 | 132.5 | 179.5 | -65 | -173.8 | -179.9 | -172 | -0.1 | 112.2 | A79 | R77-A79 PolarHBondContact O-N 2.97Å; R77-A79 VanDerWaalsContact O-N 3.08Å |
| 78 | P | 23.9 | Very low | 25.8 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | trans | -73.8 | 102.2 | 173.8 | 30.2 | -29.7 | 0 | 0 | 0 | 108.5 | ||||
| 79 | A | 24.2 | Very low | 25.8 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | trans | -109.1 | 119.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | R77 L81 | R77-A79 PolarHBondContact O-N 2.97Å; R77-A79 VanDerWaalsContact O-N 3.08Å; A79-L81 PolarHBondContact O-N 3.3Å | ||
| 80 | H | 23.1 | Very low | 25.9 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 89% | 0.889 | 73% | 0.732 | S | S | * | * | trans | -55.8 | 120.8 | 167.7 | -96.9 | -95.7 | 0 | 0 | 0 | 110.2 | ||||
| 81 | L | 23.2 | Very low | 25.7 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | -117.6 | 103.3 | 171.1 | -108 | 143.2 | 0 | 0 | 0 | 109.4 | A79 L83 | A79-L81 PolarHBondContact O-N 3.3Å; L81-L83 PolarHBondContact O-N 3.04Å | ||
| 82 | S | 22 | Very low | 25.7 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -76.1 | 113.3 | 173.2 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 83 | L | 25.3 | Very low | 25.5 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 117.1 | 172 | -72.6 | 167 | 0 | 0 | 0 | 109.7 | L81 | L81-L83 PolarHBondContact O-N 3.04Š|
| 84 | V | 23.6 | Very low | 25.4 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 126.1 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | ||
| 85 | P | 25.6 | Very low | 25.1 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 47% | 0.468 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -77.7 | 134.2 | 178.8 | 26.7 | -24.6 | 0 | 0 | 0 | 111 | ||
| 86 | L | 25.7 | Very low | 24.7 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 134 | 164.1 | -78 | 159 | 0 | 0 | 0 | 109.1 | ||
| 87 | R | 24.8 | Very low | 24.6 | Very low | 255 Ų | 255 | 140.8 Ų | 140.8 | 96% | 0.962 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -22.9 | 124.7 | -173.5 | -74 | 178.4 | 173.6 | 179.7 | -2.2 | 116.3 | ||
| 88 | G | 30.3 | Very low | 24.7 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 119.9 | -5.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 89 | H | 26.9 | Very low | 24.8 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -132.5 | 136.7 | -179.6 | -85.5 | -82.9 | 0 | 0 | 0 | 112.1 | ||
| 90 | E | 26 | Very low | 24.8 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -60.9 | 141.9 | 174.6 | -73.1 | -174.8 | 153.5 | 0 | 0 | 111.6 | V92 | E90-V92 PolarHBondContact O-N 3.47Š| ||
| 91 | P | 24.8 | Very low | 25.1 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | -70.4 | 116.3 | -179.6 | 28 | -32.2 | 0 | 0 | 0 | 110.8 | ||||
| 92 | V | 25.3 | Very low | 25.3 | Very low | 135 Ų | 135 | 133 Ų | 133 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -87.2 | 112.1 | 167.6 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | E90 A94 | E90-V92 PolarHBondContact O-N 3.47Å; V92-A94 PolarHBondContact O-N 2.84Å; V92-A94 VanDerWaalsContact O-N 3.11Å | ||
| 93 | T | 23.4 | Very low | 25.7 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | trans | -61.4 | 107.1 | 172.6 | 41.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 94 | A | 24.5 | Very low | 25.8 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | trans | -96 | 124.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | V92 | V92-A94 PolarHBondContact O-N 2.84Å; V92-A94 VanDerWaalsContact O-N 3.11Å | ||
| 95 | W | 23.2 | Very low | 26 | Very low | 160 Ų | 160 | 125.6 Ų | 125.6 | 61% | 0.606 | 72% | 0.715 | S | S | * | * | trans | -79.1 | 121.8 | 175.8 | -65.2 | 68.9 | 0 | 0 | 0 | 108.8 | I97 | W95-I97 PolarHBondContact O-N 3.42Š| ||
| 96 | A | 22.5 | Very low | 26 | Very low | 108 Ų | 108 | 129 Ų | 129 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | trans | -75.8 | 115.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 97 | I | 24.8 | Very low | 26.1 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | trans | -109.4 | 126 | 164.1 | -61.1 | 173.9 | 0 | 0 | 0 | 105.9 | W95 L99 | W95-I97 PolarHBondContact O-N 3.42Å; I97-L99 PolarHBondContact O-N 2.93Å | ||
| 98 | D | 25.5 | Very low | 26.2 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | trans | -51.4 | 105.2 | 179.2 | -86.5 | -37 | 0 | 0 | 0 | 112 | ||||
| 99 | L | 26 | Very low | 26 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 50% | 0.497 | 70% | 0.7 | S | S | . | * | trans | -138.5 | 114.9 | 172.7 | -75.9 | 170.4 | 0 | 0 | 0 | 110.6 | I97 F123 | I97-L99 PolarHBondContact O-N 2.93Å; L99-F123 HydrophobicContact CD1-CD1 3.6Å; L99-F123 HydrophobicContact CD1-CE1 4.17Å | ||
| 100 | F | 24.4 | Very low | 26 | Very low | 146 Ų | 146 | 117.8 Ų | 117.8 | 64% | 0.64 | 70% | 0.703 | S | S | * | * | trans | -78.4 | 119.6 | -179.8 | -77.7 | -102.3 | 0 | 0 | 0 | 111.4 | L75 | L75-F100 HydrophobicContact CD1-CE1 3.56Å; L75-F100 HydrophobicContact CD1-CZ 3.77Å; L75-F100 HydrophobicContact CD2-CZ 4.24Å; L75-F100 HydrophobicContact CG-CZ 4.49Å | ||
| 101 | G | 28.9 | Very low | 26.2 | Very low | 57 Ų | 57 | 111.3 Ų | 111.3 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | trans | 101.2 | 119 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 102 | M | 28.6 | Very low | 26.4 | Very low | 167 Ų | 167 | 118.4 Ų | 118.4 | 82% | 0.823 | 69% | 0.687 | S | S | * | * | trans | -95.7 | 129.8 | 166 | -72.5 | 177.6 | 69.5 | 0 | 0 | 109.4 | ||||
| 103 | G | 29.2 | Very low | 26.7 | Very low | 37 Ų | 37 | 115.7 Ų | 115.7 | 38% | 0.381 | 67% | 0.667 | S | S | . | * | trans | -124.1 | 137.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F124 | G103-F124 WeakPolarHBondContact O-CE2 3.37Å; G103-F124 VanDerWaalsContact O-CZ 3.31Å; G103-F124 WeakPolarHBondContact O-CZ 3.47Å | ||
| 104 | C | 28.3 | Very low | 26.9 | Very low | 120 Ų | 120 | 115.5 Ų | 115.5 | 81% | 0.811 | 67% | 0.67 | S | S | * | * | trans | -88.3 | 127 | 171.9 | -165.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 105 | V | 26.7 | Very low | 27.1 | Very low | 89 Ų | 89 | 113 Ų | 113 | 54% | 0.539 | 65% | 0.654 | S | S | . | * | trans | -128.4 | 120 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | A107 F124 | V105-A107 PolarHBondContact O-N 3.44Å; V105-F124 HydrophobicContact CG2-CE1 4.45Å; V105-F124 HydrophobicContact CG2-CZ 4.19Å | ||
| 106 | T | 26.3 | Very low | 27.3 | Very low | 143 Ų | 143 | 113.5 Ų | 113.5 | 88% | 0.877 | 67% | 0.668 | S | S | * | * | trans | -73.4 | 111.3 | 168.2 | 8.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 107 | A | 27.8 | Very low | 27.6 | Very low | 68 Ų | 68 | 115.8 Ų | 115.8 | 56% | 0.562 | 66% | 0.655 | S | S | * | * | trans | -102.7 | 109.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V105 M109 | V105-A107 PolarHBondContact O-N 3.44Å; A107-M109 HydrophobicContact CB-CG 4.21Å; A107-M109 PolarHBondContact O-N 2.82Å | ||
| 108 | E | 25.9 | Very low | 27.8 | Very low | 202 Ų | 202 | 118.5 Ų | 118.5 | 94% | 0.944 | 66% | 0.657 | S | S | * | * | trans | -71.8 | 90 | 168 | -76.7 | -169.3 | 155.1 | 0 | 0 | 109.6 | G110 | E108-G110 VanDerWaalsContact C-N 3.29Å; E108-G110 PolarHBondContact O-N 2.95Å | ||
| 109 | M | 26.9 | Very low | 27.9 | Very low | 84 Ų | 84 | 116.1 Ų | 116.1 | 41% | 0.414 | 64% | 0.643 | S | S | . | * | trans | -87.3 | 15 | 179.3 | -71.8 | -154.4 | -82.7 | 0 | 0 | 114.3 | A107 L111 F133 F137 | A107-M109 HydrophobicContact CB-CG 4.21Å; A107-M109 PolarHBondContact O-N 2.82Å; M109-L111 HydrophobicContact CB-CD1 3.9Å; M109-L111 HydrophobicContact CB-CG 4.05Å; M109-L111 HydrophobicContact CE-CD1 4.11Å; M109-L111 PolarHBondContact O-N 3.21Å; M109-F133 HydrophobicContact CE-CD1 4.4Å; M109-F133 HydrophobicContact CE-CE1 3.38Å; M109-F133 HydrophobicContact CE-CE2 4.35Å; M109-F133 HydrophobicContact CE-CZ 3.36Å; M109-F133 HydrophobicContact SD-CE1 4.02Å; M109-F133 HydrophobicContact SD-CE2 3.94Å; M109-F133 HydrophobicContact SD-CZ 3.32Å; M109-F133 WeakPolarHBondContact SD-CZ 3.38Å; M109-F137 HydrophobicContact CE-CE1 4.08Å; M109-F137 HydrophobicContact CE-CZ 3.85Å | ||
| 110 | G | 27.9 | Very low | 27.8 | Very low | 81 Ų | 81 | 115.1 Ų | 115.1 | 84% | 0.835 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 60.1 | 8.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E108 | E108-G110 VanDerWaalsContact C-N 3.29Å; E108-G110 PolarHBondContact O-N 2.95Å |
| 111 | L | 30 | Very low | 28 | Very low | 41 Ų | 41 | 112.1 Ų | 112.1 | 22% | 0.215 | 64% | 0.638 | C | S | . | * | trans | -79.4 | 119.8 | 174.2 | -65.4 | 168.7 | 0 | 0 | 0 | 107.4 | M109 I113 L170 | M109-L111 HydrophobicContact CB-CD1 3.9Å; M109-L111 HydrophobicContact CB-CG 4.05Å; M109-L111 HydrophobicContact CE-CD1 4.11Å; M109-L111 PolarHBondContact O-N 3.21Å; L111-I113 HydrophobicContact CB-CD1 3.87Å; L111-I113 HydrophobicContact CB-CG1 4.01Å; L111-I113 HydrophobicContact CD1-CD1 4.3Å; L111-I113 PolarHBondContact O-N 2.9Å; L111-L170 HydrophobicContact CD2-CD1 4.49Å | ||
| 112 | R | 28.3 | Very low | 27.8 | Very low | 253 Ų | 253 | 112 Ų | 112 | 96% | 0.955 | 62% | 0.623 | S | S | * | * | trans | -66.9 | 63.4 | 173.8 | -80.9 | -175.3 | 171.5 | -176.9 | -2.1 | 111.6 | ||||
| 113 | I | 31.6 | Very low | 27.8 | Very low | 77 Ų | 77 | 111 Ų | 111 | 40% | 0.395 | 62% | 0.615 | S | S | . | * | trans | -124.1 | 91 | -178.7 | -52.6 | 174.6 | 0 | 0 | 0 | 107.1 | L111 Y117 | L111-I113 HydrophobicContact CB-CD1 3.87Å; L111-I113 HydrophobicContact CB-CG1 4.01Å; L111-I113 HydrophobicContact CD1-CD1 4.3Å; L111-I113 PolarHBondContact O-N 2.9Å; I113-Y117 HydrophobicContact CG2-CE2 4.02Å | ||
| 114 | S | 27.1 | Very low | 27.6 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 82% | 0.818 | 62% | 0.615 | S | S | * | * | trans | -91.2 | 119.3 | 172.3 | 62.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 115 | G | 29 | Very low | 27.5 | Very low | 44 Ų | 44 | 113.3 Ų | 113.3 | 45% | 0.454 | 61% | 0.61 | S | S | . | * | S | Bend | trans | 170.1 | 150.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y117 | G115-Y117 VanDerWaalsContact C-CD2 3.48Å; G115-Y117 VanDerWaalsContact C-CE2 3.43Å; G115-Y117 WeakPolarHBondContact O-CD2 3.29Å; G115-Y117 VanDerWaalsContact O-CE2 3.27Å; G115-Y117 WeakPolarHBondContact O-CE2 3.28Å; G115-Y117 PolarHBondContact O-N 3.39Å |
| 116 | D | 27.1 | Very low | 27.4 | Very low | 171 Ų | 171 | 120.7 Ų | 120.7 | 91% | 0.914 | 63% | 0.628 | S | S | * | * | trans | -72.8 | 106 | 177.1 | -62 | -38.1 | 0 | 0 | 0 | 109.2 | ||||
| 117 | Y | 30 | Very low | 27.3 | Very low | 157 Ų | 157 | 116.3 Ų | 116.3 | 62% | 0.616 | 61% | 0.612 | S | S | * | * | trans | -126.8 | 126.7 | -177.7 | -56.2 | -65 | 0 | 0 | 0 | 112.2 | I113 G115 L119 | I113-Y117 HydrophobicContact CG2-CE2 4.02Å; G115-Y117 VanDerWaalsContact C-CD2 3.48Å; G115-Y117 VanDerWaalsContact C-CE2 3.43Å; G115-Y117 WeakPolarHBondContact O-CD2 3.29Å; G115-Y117 VanDerWaalsContact O-CE2 3.27Å; G115-Y117 WeakPolarHBondContact O-CE2 3.28Å; G115-Y117 PolarHBondContact O-N 3.39Å; Y117-L119 PolarHBondContact O-N 3.17Å | ||
| 118 | W | 28.3 | Very low | 27.2 | Very low | 198 Ų | 198 | 118.5 Ų | 118.5 | 75% | 0.75 | 62% | 0.618 | S | S | * | * | trans | -68.3 | 110.6 | 167 | -72.6 | 82.8 | 0 | 0 | 0 | 109.6 | ||||
| 119 | L | 26.6 | Very low | 27.2 | Very low | 91 Ų | 91 | 112.3 Ų | 112.3 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 135.1 | 171.5 | -78.6 | 155.4 | 0 | 0 | 0 | 109.6 | Y117 L122 F137 | Y117-L119 PolarHBondContact O-N 3.17Å; L119-L122 HydrophobicContact CD1-CD1 4.34Å; L119-F137 HydrophobicContact CD2-CD2 4.24Å; L119-F137 HydrophobicContact CD2-CE2 4.12Å |
| 120 | P | 25.3 | Very low | 27.4 | Very low | 74 Ų | 74 | 111 Ų | 111 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 154.9 | 164 | 28.4 | -31.6 | 0 | 0 | 0 | 109.3 | L122 | P120-L122 PolarHBondContact O-N 3.26Å; P120-L122 VanDerWaalsContact O-N 3.12Å |
| 121 | P | 27.4 | Very low | 27.3 | Very low | 84 Ų | 84 | 111.4 Ų | 111.4 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -56 | 119.3 | -160.5 | 21.8 | -32.7 | 0 | 0 | 0 | 112.1 | F123 | P121-F123 PolarHBondContact O-N 2.72Š|
| 122 | L | 25.8 | Very low | 27.3 | Very low | 55 Ų | 55 | 111.5 Ų | 111.5 | 29% | 0.288 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 118.8 | 165.1 | -86.2 | 153 | 0 | 0 | 0 | 108 | L119 P120 F124 V131 | L119-L122 HydrophobicContact CD1-CD1 4.34Å; P120-L122 PolarHBondContact O-N 3.26Å; P120-L122 VanDerWaalsContact O-N 3.12Å; L122-F124 HydrophobicContact CB-CD2 4.26Å; L122-F124 HydrophobicContact CB-CE2 3.6Å; L122-F124 HydrophobicContact CB-CZ 4.21Å; L122-F124 WeakPolarHBondContact O-CD2 3.43Å; L122-F124 PolarHBondContact O-N 2.89Å; L122-V131 HydrophobicContact CD2-CG1 4.28Å |
| 123 | F | 27.3 | Very low | 27.5 | Very low | 146 Ų | 146 | 103.4 Ų | 103.4 | 64% | 0.64 | 56% | 0.556 | S | S | * | * | trans | -77.4 | 109.5 | 176.3 | -59.5 | -77.7 | 0 | 0 | 0 | 109.4 | L99 P121 | L99-F123 HydrophobicContact CD1-CD1 3.6Å; L99-F123 HydrophobicContact CD1-CE1 4.17Å; P121-F123 PolarHBondContact O-N 2.72Å | ||
| 124 | F | 26.6 | Very low | 27.5 | Very low | 88 Ų | 88 | 101.4 Ų | 101.4 | 39% | 0.386 | 56% | 0.555 | S | S | . | * | trans | -95.6 | 111.3 | 169.6 | -68 | -89.5 | 0 | 0 | 0 | 109 | G103 V105 L122 | G103-F124 WeakPolarHBondContact O-CE2 3.37Å; G103-F124 VanDerWaalsContact O-CZ 3.31Å; G103-F124 WeakPolarHBondContact O-CZ 3.47Å; V105-F124 HydrophobicContact CG2-CE1 4.45Å; V105-F124 HydrophobicContact CG2-CZ 4.19Å; L122-F124 HydrophobicContact CB-CD2 4.26Å; L122-F124 HydrophobicContact CB-CE2 3.6Å; L122-F124 HydrophobicContact CB-CZ 4.21Å; L122-F124 WeakPolarHBondContact O-CD2 3.43Å; L122-F124 PolarHBondContact O-N 2.89Å | ||
| 125 | V | 25.1 | Very low | 27.7 | Very low | 117 Ų | 117 | 97.7 Ų | 97.7 | 71% | 0.709 | 53% | 0.527 | S | S | * | . | trans | -98.1 | 122.5 | 165.7 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | G127 | V125-G127 PolarHBondContact O-N 3.28Å; V125-G127 VanDerWaalsContact O-N 3.15Å | ||
| 126 | R | 24.5 | Very low | 28.1 | Very low | 244 Ų | 244 | 101.1 Ų | 101.1 | 92% | 0.921 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -67.1 | 111.7 | -178.4 | -175.4 | 177.2 | 173.6 | 161 | 0.5 | 110.4 | ||
| 127 | G | 25.7 | Very low | 28.7 | Very low | 51 Ų | 51 | 94.4 Ų | 94.4 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | S | Bend | trans | 94.2 | 117.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V125 | V125-G127 PolarHBondContact O-N 3.28Å; V125-G127 VanDerWaalsContact O-N 3.15Å |
| 128 | T | 24.4 | Very low | 29.1 | Very low | 113 Ų | 113 | 88.6 Ų | 88.6 | 69% | 0.693 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 77.2 | 97.9 | 169.7 | 67.6 | 0 | 0 | 0 | 0 | 118.1 | ||
| 129 | V | 27.1 | Very low | 29.5 | Very low | 72 Ų | 72 | 89.5 Ų | 89.5 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | trans | 67.5 | 169.1 | 150.4 | -128.4 | 0 | 0 | 0 | 0 | 119.3 | L185 | V129-L185 HydrophobicContact CG2-CD2 4.41Š| ||
| 130 | P | 29.5 | Very low | 30 | Very low | 57 Ų | 57 | 91.2 Ų | 91.2 | 37% | 0.37 | 48% | 0.484 | S | S | . | . | -77.2 | 164.2 | -103.7 | 10 | 13.1 | 0 | 0 | 0 | 118.3 | A132 F181 | P130-A132 PolarHBondContact O-N 2.77Å; P130-F181 HydrophobicContact CB-CD1 3.55Å; P130-F181 HydrophobicContact CB-CE1 3.59Å; P130-F181 HydrophobicContact CG-CD1 4.25Å | |||
| 131 | V | 27 | Very low | 30.6 | Very low | 90 Ų | 90 | 90.8 Ų | 90.8 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | trans | -57.5 | 117.1 | 170.5 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | L122 | L122-V131 HydrophobicContact CD2-CG1 4.28Š| ||
| 132 | A | 29.3 | Very low | 30.9 | Very low | 43 Ų | 43 | 87.9 Ų | 87.9 | 36% | 0.355 | 46% | 0.457 | S | S | . | . | trans | -94 | 114 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P130 G134 | P130-A132 PolarHBondContact O-N 2.77Å; A132-G134 PolarHBondContact O-N 3.11Å | ||
| 133 | F | 33.2 | Very low | 31.5 | Very low | 82 Ų | 82 | 86.1 Ų | 86.1 | 36% | 0.36 | 45% | 0.448 | S | S | . | . | trans | -71.8 | 118.9 | 165.3 | -68.8 | -77 | 0 | 0 | 0 | 108.8 | M109 F137 | M109-F133 HydrophobicContact CE-CD1 4.4Å; M109-F133 HydrophobicContact CE-CE1 3.38Å; M109-F133 HydrophobicContact CE-CE2 4.35Å; M109-F133 HydrophobicContact CE-CZ 3.36Å; M109-F133 HydrophobicContact SD-CE1 4.02Å; M109-F133 HydrophobicContact SD-CE2 3.94Å; M109-F133 HydrophobicContact SD-CZ 3.32Å; M109-F133 WeakPolarHBondContact SD-CZ 3.38Å; F133-F137 HydrophobicContact CB-CD1 4.14Å; F133-F137 AromaticContact CD1-CD1 3.56Å; F133-F137 HydrophobicContact CD1-CD1 3.56Å; F133-F137 AromaticContact CD1-CE1 3.59Å; F133-F137 HydrophobicContact CD1-CE1 3.59Å; F133-F137 HydrophobicContact CD1-CG 4.17Å; F133-F137 HydrophobicContact CD1-CZ 4.22Å; F133-F137 HydrophobicContact CE1-CD1 4.36Å; F133-F137 AromaticContact CE1-CE1 3.95Å; F133-F137 HydrophobicContact CE1-CE1 3.95Å; F133-F137 HydrophobicContact CE1-CZ 4.25Å; F133-F137 HydrophobicContact CG-CD1 4.12Å; F133-F137 HydrophobicContact CG-CE1 4.33Å | ||
| 134 | G | 31.3 | Very low | 31.9 | Very low | 35 Ų | 35 | 82.5 Ų | 82.5 | 36% | 0.361 | 43% | 0.434 | S | S | . | . | trans | -60.3 | 145 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A132 N136 F137 L138 | A132-G134 PolarHBondContact O-N 3.11Å; G134-N136 PolarHBondContact O-N 3.38Å; G134-N136 VanDerWaalsContact O-N 3.09Å; G134-F137 WeakPolarHBondContact O-CA 3.49Å; G134-F137 VanDerWaalsContact O-CB 3.28Å; G134-F137 WeakPolarHBondContact O-CB 3.16Å; G134-F137 PolarHBondContact O-N 2.81Å; G134-L138 PolarHBondContact O-N 3.41Å | ||
| 135 | T | 32 | Very low | 32.3 | Very low | 40 Ų | 40 | 82.4 Ų | 82.4 | 25% | 0.245 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -53.8 | -28 | 173.8 | 34.5 | 0 | 0 | 0 | 0 | 113.6 | F137 L138 W139 S292 S293 | T135-F137 VanDerWaalsContact C-N 3.32Å; T135-F137 PolarHBondContact O-N 2.95Å; T135-L138 PolarHBondContact O-N 3.3Å; T135-W139 VanDerWaalsContact O-CB 3.26Å; T135-W139 WeakPolarHBondContact O-CB 3.49Å; T135-W139 PolarHBondContact O-N 3.09Å; T135-S292 WeakPolarHBondContact CG2-O 3.46Å; T135-S292 WeakPolarHBondContact OG1-CB 3.47Å; T135-S292 PolarHBondContact OG1-O 3.48Å; T135-S292 PolarHBondContact OG1-OG 3.5Å; T135-S293 WeakPolarHBondContact CG2-OG 3.27Å |
| 136 | N | 36.6 | Very low | 32.8 | Very low | 116 Ų | 116 | 80.1 Ų | 80.1 | 62% | 0.62 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.6 | -34.8 | 172.4 | -66.8 | -16.8 | 0 | 0 | 0 | 112.8 | G134 K140 | G134-N136 PolarHBondContact O-N 3.38Å; G134-N136 VanDerWaalsContact O-N 3.09Å; N136-K140 WeakPolarHBondContact O-CB 3.5Å; N136-K140 PolarHBondContact O-N 3.17Å |
| 137 | F | 39.1 | Very low | 33.2 | Very low | 29 Ų | 29 | 75 Ų | 75 | 13% | 0.127 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.9 | -47.3 | 175.4 | 176.3 | -94.2 | 0 | 0 | 0 | 110.7 | M109 L119 F133 G134 T135 W139 K140 H141 I143 | M109-F137 HydrophobicContact CE-CE1 4.08Å; M109-F137 HydrophobicContact CE-CZ 3.85Å; L119-F137 HydrophobicContact CD2-CD2 4.24Å; L119-F137 HydrophobicContact CD2-CE2 4.12Å; F133-F137 HydrophobicContact CB-CD1 4.14Å; F133-F137 AromaticContact CD1-CD1 3.56Å; F133-F137 HydrophobicContact CD1-CD1 3.56Å; F133-F137 AromaticContact CD1-CE1 3.59Å; F133-F137 HydrophobicContact CD1-CE1 3.59Å; F133-F137 HydrophobicContact CD1-CG 4.17Å; F133-F137 HydrophobicContact CD1-CZ 4.22Å; F133-F137 HydrophobicContact CE1-CD1 4.36Å; F133-F137 AromaticContact CE1-CE1 3.95Å; F133-F137 HydrophobicContact CE1-CE1 3.95Å; F133-F137 HydrophobicContact CE1-CZ 4.25Å; F133-F137 HydrophobicContact CG-CD1 4.12Å; F133-F137 HydrophobicContact CG-CE1 4.33Å; G134-F137 WeakPolarHBondContact O-CA 3.49Å; G134-F137 VanDerWaalsContact O-CB 3.28Å; G134-F137 WeakPolarHBondContact O-CB 3.16Å; G134-F137 PolarHBondContact O-N 2.81Å; T135-F137 VanDerWaalsContact C-N 3.32Å; T135-F137 PolarHBondContact O-N 2.95Å; F137-W139 VanDerWaalsContact C-N 3.32Å; F137-W139 PolarHBondContact O-N 3.02Å; F137-K140 PolarHBondContact O-N 3.35Å; F137-H141 AromaticContact CD2-CD2 3.58Å; F137-H141 AromaticContact CD2-NE2 3.91Å; F137-H141 AromaticContact CE2-CD2 3.5Å; F137-H141 VanDerWaalsContact CE2-CD2 3.5Å; F137-H141 WeakPolarHBondContact CE2-CD2 3.35Å; F137-H141 AromaticContact CE2-NE2 3.68Å; F137-H141 AromaticContact CZ-CD2 3.97Å; F137-H141 PolarHBondContact O-CD2 3.24Å; F137-H141 VanDerWaalsContact O-CD2 3.3Å; F137-H141 PolarHBondContact O-N 3.24Å; F137-I143 HydrophobicContact CD1-CD1 4.35Å; F137-I143 HydrophobicContact CE1-CD1 3.78Å; F137-I143 HydrophobicContact CZ-CD1 4.45Å |
| 138 | L | 38.9 | Very low | 33.4 | Very low | 36 Ų | 36 | 78.7 Ų | 78.7 | 19% | 0.188 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 177.3 | -62.7 | 173.8 | 0 | 0 | 0 | 111.6 | G134 T135 C142 I143 L145 | G134-L138 PolarHBondContact O-N 3.41Å; T135-L138 PolarHBondContact O-N 3.3Å; L138-C142 PolarHBondContact O-N 3.42Å; L138-C142 VanDerWaalsContact O-N 3.17Å; L138-I143 HydrophobicContact CD2-CB 3.94Å; L138-I143 HydrophobicContact CD2-CD1 4.42Å; L138-I143 HydrophobicContact CD2-CG2 3.76Å; L138-I143 PolarHBondContact O-N 3.37Å; L138-L145 HydrophobicContact CD1-CD1 3.76Å; L138-L145 HydrophobicContact CD2-CD1 4.16Å; L138-L145 HydrophobicContact CD2-CG 4.4Å |
| 139 | W | 36.9 | Very low | 33.7 | Very low | 217 Ų | 217 | 75.6 Ų | 75.6 | 82% | 0.822 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.2 | -49.7 | 175.7 | -177.3 | -92.5 | 0 | 0 | 0 | 112.6 | T135 F137 H141 C142 | T135-W139 VanDerWaalsContact O-CB 3.26Å; T135-W139 WeakPolarHBondContact O-CB 3.49Å; T135-W139 PolarHBondContact O-N 3.09Å; F137-W139 VanDerWaalsContact C-N 3.32Å; F137-W139 PolarHBondContact O-N 3.02Å; W139-H141 PolarHBondContact O-N 3.34Å; W139-C142 PolarHBondContact O-N 3.15Å; W139-C142 VanDerWaalsContact O-N 3.15Å |
| 140 | K | 37.4 | Very low | 33.6 | Very low | 127 Ų | 127 | 75.2 Ų | 75.2 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.3 | -33.2 | -178 | -174.1 | 176 | -177.6 | -178.1 | 0 | 112.6 | N136 F137 | N136-K140 WeakPolarHBondContact O-CB 3.5Å; N136-K140 PolarHBondContact O-N 3.17Å; F137-K140 PolarHBondContact O-N 3.35Å |
| 141 | H | 38 | Very low | 33.5 | Very low | 65 Ų | 65 | 83.1 Ų | 83.1 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 8.2 | -179.6 | -67.9 | -75 | 0 | 0 | 0 | 114 | F137 W139 I143 | F137-H141 AromaticContact CD2-CD2 3.58Å; F137-H141 AromaticContact CD2-NE2 3.91Å; F137-H141 AromaticContact CE2-CD2 3.5Å; F137-H141 VanDerWaalsContact CE2-CD2 3.5Å; F137-H141 WeakPolarHBondContact CE2-CD2 3.35Å; F137-H141 AromaticContact CE2-NE2 3.68Å; F137-H141 AromaticContact CZ-CD2 3.97Å; F137-H141 PolarHBondContact O-CD2 3.24Å; F137-H141 VanDerWaalsContact O-CD2 3.3Å; F137-H141 PolarHBondContact O-N 3.24Å; W139-H141 PolarHBondContact O-N 3.34Å; H141-I143 HydrophobicContact CB-CD1 3.67Å; H141-I143 HydrophobicContact CB-CG1 3.74Å; H141-I143 PolarHBondContact O-N 3.08Å |
| 142 | C | 33.9 | Very low | 33.5 | Very low | 23 Ų | 23 | 88.2 Ų | 88.2 | 16% | 0.155 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 39.9 | -177.9 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | L138 W139 Q168 | L138-C142 PolarHBondContact O-N 3.42Å; L138-C142 VanDerWaalsContact O-N 3.17Å; W139-C142 PolarHBondContact O-N 3.15Å; W139-C142 VanDerWaalsContact O-N 3.15Å; C142-Q168 PolarHBondContact O-N 3.46Å |
| 143 | I | 37.7 | Very low | 33.7 | Very low | 18 Ų | 18 | 91.5 Ų | 91.5 | 9% | 0.092 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 109.9 | 179.2 | -61.3 | 171.7 | 0 | 0 | 0 | 107.4 | F137 L138 H141 L170 | F137-I143 HydrophobicContact CD1-CD1 4.35Å; F137-I143 HydrophobicContact CE1-CD1 3.78Å; F137-I143 HydrophobicContact CZ-CD1 4.45Å; L138-I143 HydrophobicContact CD2-CB 3.94Å; L138-I143 HydrophobicContact CD2-CD1 4.42Å; L138-I143 HydrophobicContact CD2-CG2 3.76Å; L138-I143 PolarHBondContact O-N 3.37Å; H141-I143 HydrophobicContact CB-CD1 3.67Å; H141-I143 HydrophobicContact CB-CG1 3.74Å; H141-I143 PolarHBondContact O-N 3.08Å; I143-L170 HydrophobicContact CG2-CD1 4.07Å |
| 144 | I | 36.1 | Very low | 33.4 | Very low | 69 Ų | 69 | 96.5 Ų | 96.5 | 35% | 0.354 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 113.5 | 173.2 | -58.6 | 176.3 | 0 | 0 | 0 | 107.1 | D146 C167 F169 | I144-D146 PolarHBondContact O-N 3Å; I144-C167 HydrophobicContact CD1-CB 4.18Å; I144-F169 HydrophobicContact CB-CD1 4.34Å; I144-F169 HydrophobicContact CB-CE1 4.29Å; I144-F169 HydrophobicContact CD1-CE1 4.08Å; I144-F169 HydrophobicContact CD1-CZ 3.96Å; I144-F169 HydrophobicContact CG2-CD1 4.31Å; I144-F169 HydrophobicContact CG2-CE1 4.05Å |
| 145 | L | 35.6 | Very low | 33.6 | Very low | 87 Ų | 87 | 99.6 Ų | 99.6 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 110.1 | 172.8 | -70.1 | 168.6 | 0 | 0 | 0 | 108.6 | L138 L147 | L138-L145 HydrophobicContact CD1-CD1 3.76Å; L138-L145 HydrophobicContact CD2-CD1 4.16Å; L138-L145 HydrophobicContact CD2-CG 4.4Å; L145-L147 HydrophobicContact CB-CD2 4.38Å; L145-L147 HydrophobicContact CB-CG 4.43Å; L145-L147 PolarHBondContact O-N 2.71Å; L145-L147 VanDerWaalsContact O-N 3.11Å |
| 146 | D | 34.2 | Very low | 33.6 | Very low | 68 Ų | 68 | 104 Ų | 104 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 91.6 | 171.4 | -176 | 6.4 | 0 | 0 | 0 | 109.6 | I144 Q148 F172 | I144-D146 PolarHBondContact O-N 3Å; D146-Q148 PolarHBondContact O-N 3.05Å; D146-Q148 WeakPolarHBondContact OD1-CA 3.27Å; D146-Q148 PolarHBondContact OD1-N 3.41Å; D146-F172 WeakPolarHBondContact O-CB 3.38Å |
| 147 | L | 34.6 | Very low | 33.5 | Very low | 138 Ų | 138 | 101.6 Ų | 101.6 | 72% | 0.723 | 53% | 0.531 | S | S | * | . | trans | -78.3 | -0.3 | 177.2 | -59.7 | 175.4 | 0 | 0 | 0 | 112.4 | L145 | L145-L147 HydrophobicContact CB-CD2 4.38Å; L145-L147 HydrophobicContact CB-CG 4.43Å; L145-L147 PolarHBondContact O-N 2.71Å; L145-L147 VanDerWaalsContact O-N 3.11Å | ||
| 148 | Q | 28.4 | Very low | 33.2 | Very low | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 55% | 0.551 | S | S | * | * | trans | -119.4 | 61.9 | -169.3 | -137.8 | -174.6 | -48.2 | 0 | 0 | 110.8 | D146 G150 | D146-Q148 PolarHBondContact O-N 3.05Å; D146-Q148 WeakPolarHBondContact OD1-CA 3.27Å; D146-Q148 PolarHBondContact OD1-N 3.41Å; Q148-G150 PolarHBondContact O-N 3.11Å | ||
| 149 | A | 30.2 | Very low | 33.2 | Very low | 48 Ų | 48 | 109.4 Ų | 109.4 | 40% | 0.397 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | 108.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R173 | A149-R173 HydrophobicContact CB-CG 4.12Š|
| 150 | G | 26 | Very low | 33.2 | Very low | 65 Ų | 65 | 106.1 Ų | 106.1 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 167.8 | -17.5 | 164 | 0 | 0 | 0 | 0 | 0 | 120.3 | Q148 | Q148-G150 PolarHBondContact O-N 3.11Š|
| 151 | Y | 26.9 | Very low | 33.1 | Very low | 223 Ų | 223 | 105.9 Ų | 105.9 | 88% | 0.875 | 58% | 0.582 | S | S | * | * | trans | -141.9 | 117.4 | -177.3 | -117.3 | -97.2 | 0 | 0 | 0 | 111.9 | P153 | Y151-P153 WeakPolarHBondContact O-CD 3.28Š| ||
| 152 | F | 28 | Very low | 32.9 | Very low | 197 Ų | 197 | 105.2 Ų | 105.2 | 86% | 0.864 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 122.5 | 162.4 | -102.5 | -99.8 | 0 | 0 | 0 | 108.3 | ||
| 153 | P | 31.9 | Very low | 33 | Very low | 112 Ų | 112 | 108.4 Ų | 108.4 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -97 | 123.3 | 144.2 | 16 | 1.3 | 0 | 0 | 0 | 107.6 | Y151 S155 | Y151-P153 WeakPolarHBondContact O-CD 3.28Å; P153-S155 PolarHBondContact O-N 2.89Å |
| 154 | E | 28.6 | Very low | 32.9 | Very low | 186 Ų | 186 | 111.7 Ų | 111.7 | 87% | 0.869 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -52.9 | 127.6 | 169.2 | -64.5 | 175.6 | 156 | 0 | 0 | 109.9 | ||
| 155 | S | 34 | Very low | 33 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | trans | 117.1 | 105.7 | 165.6 | -165.9 | 0 | 0 | 0 | 0 | 115 | P153 S157 | P153-S155 PolarHBondContact O-N 2.89Å; S155-S157 PolarHBondContact O-N 2.65Å | ||
| 156 | P | 32 | Very low | 32.9 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 86% | 0.857 | 69% | 0.686 | S | S | * | * | trans | -84.7 | 102.8 | 175.5 | 34.1 | -27.2 | 0 | 0 | 0 | 108.9 | ||||
| 157 | S | 35.1 | Very low | 33.2 | Very low | 66 Ų | 66 | 121.8 Ų | 121.8 | 46% | 0.462 | 68% | 0.677 | S | S | . | * | trans | -124.9 | 106.4 | 159.4 | 50.8 | 0 | 0 | 0 | 0 | 108.6 | S155 H159 | S155-S157 PolarHBondContact O-N 2.65Å; S157-H159 VanDerWaalsContact CB-CE1 3.41Å; S157-H159 WeakPolarHBondContact CB-CE1 3.42Å; S157-H159 WeakPolarHBondContact CB-ND1 3.38Å; S157-H159 PolarHBondContact O-N 3.44Å; S157-H159 PolarHBondContact OG-CE1 2.85Å; S157-H159 VanDerWaalsContact OG-CE1 3.26Å; S157-H159 PolarHBondContact OG-ND1 3.44Å | ||
| 158 | C | 33.7 | Very low | 33.3 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 54% | 0.541 | 66% | 0.662 | S | S | . | * | trans | -69.4 | 74.2 | 172 | -130.8 | 0 | 0 | 0 | 0 | 107.9 | H160 | C158-H160 PolarHBondContact O-N 3.48Å; C158-H160 VanDerWaalsContact O-N 3.16Å | ||
| 159 | H | 37.6 | Very low | 33.8 | Very low | 150 Ų | 150 | 119.5 Ų | 119.5 | 69% | 0.694 | 66% | 0.66 | S | S | * | * | trans | -82.2 | 33.3 | 179.9 | -80 | 130.4 | 0 | 0 | 0 | 112.6 | S157 | S157-H159 VanDerWaalsContact CB-CE1 3.41Å; S157-H159 WeakPolarHBondContact CB-CE1 3.42Å; S157-H159 WeakPolarHBondContact CB-ND1 3.38Å; S157-H159 PolarHBondContact O-N 3.44Å; S157-H159 PolarHBondContact OG-CE1 2.85Å; S157-H159 VanDerWaalsContact OG-CE1 3.26Å; S157-H159 PolarHBondContact OG-ND1 3.44Å | ||
| 160 | H | 37.4 | Very low | 34 | Very low | 148 Ų | 148 | 120.9 Ų | 120.9 | 69% | 0.685 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -150.4 | 102.6 | 170.6 | -71.3 | -62.9 | 0 | 0 | 0 | 111.2 | C158 C162 | C158-H160 PolarHBondContact O-N 3.48Å; C158-H160 VanDerWaalsContact O-N 3.16Å; H160-C162 PolarHBondContact O-N 3.12Å |
| 161 | S | 34.5 | Very low | 34.4 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 85% | 0.853 | 66% | 0.661 | S | S | * | * | trans | 37.1 | 47 | 155.4 | -164.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 162 | C | 35 | Very low | 34.7 | Very low | 51 Ų | 51 | 117.2 Ų | 117.2 | 35% | 0.345 | 64% | 0.642 | S | S | . | * | trans | -88.9 | 104.8 | 151.8 | -82 | 0 | 0 | 0 | 0 | 107.3 | H160 G164 C167 | H160-C162 PolarHBondContact O-N 3.12Å; C162-G164 VanDerWaalsContact C-N 3.28Å; C162-G164 PolarHBondContact O-N 3.07Å; C162-C167 PolarHBondContact SG-SG 3.3Å | ||
| 163 | A | 35.3 | Very low | 34.7 | Very low | 89 Ų | 89 | 116.7 Ų | 116.7 | 74% | 0.736 | 63% | 0.634 | S | S | * | * | trans | -58.4 | 88 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R165 | A163-R165 PolarHBondContact O-N 3.05Š| ||
| 164 | G | 35.6 | Very low | 34.6 | Very low | 87 Ų | 87 | 116.3 Ų | 116.3 | 90% | 0.897 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 62.6 | 8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | C162 | C162-G164 VanDerWaalsContact C-N 3.28Å; C162-G164 PolarHBondContact O-N 3.07Å |
| 165 | R | 37.9 | Very low | 34.7 | Very low | 165 Ų | 165 | 110.7 Ų | 110.7 | 62% | 0.623 | 62% | 0.616 | S | S | * | * | trans | -104 | 131.8 | -177.4 | -66.8 | -176.3 | -137.3 | -158.1 | 2.9 | 111.9 | A163 C167 | A163-R165 PolarHBondContact O-N 3.05Å; R165-C167 PolarHBondContact O-N 3Å | ||
| 166 | R | 34.9 | Very low | 34.7 | Very low | 245 Ų | 245 | 113.6 Ų | 113.6 | 93% | 0.925 | 62% | 0.618 | S | S | * | * | trans | -61.8 | 113.7 | 172.3 | -115.7 | 177.7 | -179.6 | 163.4 | 0.3 | 109.3 | ||||
| 167 | C | 39 | Very low | 34.6 | Very low | 26 Ų | 26 | 111.7 Ų | 111.7 | 18% | 0.176 | 60% | 0.604 | C | S | . | * | trans | -66.2 | 134.1 | 172.9 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | I144 C162 R165 F169 | I144-C167 HydrophobicContact CD1-CB 4.18Å; C162-C167 PolarHBondContact SG-SG 3.3Å; R165-C167 PolarHBondContact O-N 3Å; C167-F169 HydrophobicContact CB-CD2 4.48Å; C167-F169 HydrophobicContact CB-CE2 4.09Å | ||
| 168 | Q | 37.5 | Very low | 34.4 | Very low | 89 Ų | 89 | 114.1 Ų | 114.1 | 42% | 0.416 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 114.4 | 168.6 | -70.6 | -174.7 | 5.6 | 0 | 0 | 108.5 | C142 | C142-Q168 PolarHBondContact O-N 3.46Å |
| 169 | F | 38.6 | Very low | 34.2 | Very low | 128 Ų | 128 | 116.5 Ų | 116.5 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.1 | 170.6 | -73.5 | -90.9 | 0 | 0 | 0 | 108.5 | I144 C167 P171 | I144-F169 HydrophobicContact CB-CD1 4.34Å; I144-F169 HydrophobicContact CB-CE1 4.29Å; I144-F169 HydrophobicContact CD1-CE1 4.08Å; I144-F169 HydrophobicContact CD1-CZ 3.96Å; I144-F169 HydrophobicContact CG2-CD1 4.31Å; I144-F169 HydrophobicContact CG2-CE1 4.05Å; C167-F169 HydrophobicContact CB-CD2 4.48Å; C167-F169 HydrophobicContact CB-CE2 4.09Å; F169-P171 WeakPolarHBondContact O-CD 3.24Å |
| 170 | L | 35.8 | Very low | 33.9 | Very low | 78 Ų | 78 | 112.4 Ų | 112.4 | 41% | 0.408 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 107.1 | 172.9 | -82.6 | 160.3 | 0 | 0 | 0 | 108.5 | L111 I143 F172 | L111-L170 HydrophobicContact CD2-CD1 4.49Å; I143-L170 HydrophobicContact CG2-CD1 4.07Å; L170-F172 PolarHBondContact O-N 3.04Å |
| 171 | P | 33 | Very low | 33.5 | Very low | 103 Ų | 103 | 109.6 Ų | 109.6 | 67% | 0.669 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.7 | 125.2 | 177.1 | 24.4 | -30.7 | 0 | 0 | 0 | 110.1 | F169 R173 | F169-P171 WeakPolarHBondContact O-CD 3.24Å; P171-R173 PolarHBondContact O-N 3.27Å |
| 172 | F | 33.5 | Very low | 33.3 | Very low | 108 Ų | 108 | 107.4 Ų | 107.4 | 47% | 0.474 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -77.7 | 60.3 | 176.4 | -166.5 | -97.3 | 0 | 0 | 0 | 110.8 | D146 L170 | D146-F172 WeakPolarHBondContact O-CB 3.38Å; L170-F172 PolarHBondContact O-N 3.04Å |
| 173 | R | 27.9 | Very low | 33.1 | Very low | 185 Ų | 185 | 108.8 Ų | 108.8 | 70% | 0.698 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -148.1 | 131.1 | 165.6 | -79.8 | -164.4 | 173.6 | 174 | -0.6 | 109.9 | A149 P171 | A149-R173 HydrophobicContact CB-CG 4.12Å; P171-R173 PolarHBondContact O-N 3.27Å |
| 174 | S | 29.9 | Very low | 32.9 | Very low | 105 Ų | 105 | 107.3 Ų | 107.3 | 73% | 0.734 | 55% | 0.553 | S | S | * | * | trans | 105.2 | 1.4 | 156.7 | -41.1 | 0 | 0 | 0 | 0 | 119.6 | H176 | S174-H176 PolarHBondContact O-CE1 3.02Å; S174-H176 VanDerWaalsContact O-CE1 3.32Å; S174-H176 PolarHBondContact O-N 3.48Å; S174-H176 PolarHBondContact O-ND1 3.3Å | ||
| 175 | S | 31.3 | Very low | 32.6 | Very low | 68 Ų | 68 | 106.2 Ų | 106.2 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | trans | -85.4 | 103.6 | 169.7 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | T177 F178 | S175-T177 PolarHBondContact O-N 3.2Å; S175-T177 PolarHBondContact OG-OG1 2.84Å; S175-F178 PolarHBondContact O-N 3.4Å | ||
| 176 | H | 32.8 | Very low | 32.3 | Very low | 161 Ų | 161 | 106.8 Ų | 106.8 | 75% | 0.745 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -51.7 | -19.8 | 174.4 | 2.2 | -72.1 | 0 | 0 | 0 | 112.6 | S174 F178 | S174-H176 PolarHBondContact O-CE1 3.02Å; S174-H176 VanDerWaalsContact O-CE1 3.32Å; S174-H176 PolarHBondContact O-N 3.48Å; S174-H176 PolarHBondContact O-ND1 3.3Å; H176-F178 PolarHBondContact O-N 3.04Å |
| 177 | T | 30.8 | Very low | 32 | Very low | 92 Ų | 92 | 101.8 Ų | 101.8 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.7 | -25.5 | 179 | -25.1 | 0 | 0 | 0 | 0 | 113.4 | S175 | S175-T177 PolarHBondContact O-N 3.2Å; S175-T177 PolarHBondContact OG-OG1 2.84Å |
| 178 | F | 30.4 | Very low | 31.5 | Very low | 117 Ų | 117 | 106 Ų | 106 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -95 | -29.1 | -175.9 | -137.6 | -94.9 | 0 | 0 | 0 | 113.5 | S175 H176 F181 L182 | S175-F178 PolarHBondContact O-N 3.4Å; H176-F178 PolarHBondContact O-N 3.04Å; F178-F181 VanDerWaalsContact O-CB 3.3Å; F178-F181 WeakPolarHBondContact O-CB 3.32Å; F178-F181 PolarHBondContact O-N 3.41Å; F178-F181 VanDerWaalsContact O-N 3.17Å; F178-L182 PolarHBondContact O-N 2.87Å |
| 179 | H | 30.2 | Very low | 30.8 | Very low | 129 Ų | 129 | 106.6 Ų | 106.6 | 60% | 0.597 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.5 | -36 | 170.8 | -88 | -79.1 | 0 | 0 | 0 | 111.9 | F181 L182 D183 | H179-F181 PolarHBondContact O-N 3.16Å; H179-F181 VanDerWaalsContact O-N 3.15Å; H179-L182 PolarHBondContact O-N 2.8Å; H179-L182 VanDerWaalsContact O-N 3.13Å; H179-D183 PolarHBondContact O-N 2.97Å |
| 180 | A | 31 | Very low | 30.3 | Very low | 64 Ų | 64 | 105.1 Ų | 105.1 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.1 | -20.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P184 | A180-P184 WeakPolarHBondContact O-CD 3.39Å |
| 181 | F | 28.9 | Very low | 30.1 | Very low | 89 Ų | 89 | 108.2 Ų | 108.2 | 39% | 0.39 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -84.9 | -21 | 178.7 | -115.9 | -71.5 | 0 | 0 | 0 | 113.7 | P130 F178 H179 | P130-F181 HydrophobicContact CB-CD1 3.55Å; P130-F181 HydrophobicContact CB-CE1 3.59Å; P130-F181 HydrophobicContact CG-CD1 4.25Å; F178-F181 VanDerWaalsContact O-CB 3.3Å; F178-F181 WeakPolarHBondContact O-CB 3.32Å; F178-F181 PolarHBondContact O-N 3.41Å; F178-F181 VanDerWaalsContact O-N 3.17Å; H179-F181 PolarHBondContact O-N 3.16Å; H179-F181 VanDerWaalsContact O-N 3.15Å |
| 182 | L | 30.7 | Very low | 30 | Very low | 76 Ų | 76 | 109.8 Ų | 109.8 | 40% | 0.398 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -104.7 | -22.2 | -179.2 | -63.4 | 175 | 0 | 0 | 0 | 112.7 | F178 H179 L185 | F178-L182 PolarHBondContact O-N 2.87Å; H179-L182 PolarHBondContact O-N 2.8Å; H179-L182 VanDerWaalsContact O-N 3.13Å; L182-L185 HydrophobicContact CB-CD1 4.39Å; L182-L185 HydrophobicContact CD2-CD1 3.64Å; L182-L185 WeakPolarHBondContact O-CB 3.35Å; L182-L185 PolarHBondContact O-N 3.21Å |
| 183 | D | 31.2 | Very low | 30.2 | Very low | 80 Ų | 80 | 109.1 Ų | 109.1 | 43% | 0.428 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -22.4 | 177.2 | -84 | -27.5 | 0 | 0 | 0 | 117.1 | H179 L185 W186 | H179-D183 PolarHBondContact O-N 2.97Å; D183-L185 VanDerWaalsContact C-N 3.33Å; D183-W186 PolarHBondContact O-NE1 3.28Å; D183-W186 VanDerWaalsContact O-NE1 3.16Å |
| 184 | P | 29.7 | Very low | 30.8 | Very low | 59 Ų | 59 | 104.1 Ų | 104.1 | 38% | 0.383 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -15.9 | 172.7 | -14.2 | 29.5 | 0 | 0 | 0 | 113.7 | A180 W186 K187 | A180-P184 WeakPolarHBondContact O-CD 3.39Å; P184-W186 PolarHBondContact O-N 2.98Å; P184-K187 PolarHBondContact O-N 3.29Å; P184-K187 VanDerWaalsContact O-N 3.12Å |
| 185 | L | 30.4 | Very low | 31.7 | Very low | 64 Ų | 64 | 111.3 Ų | 111.3 | 34% | 0.335 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67 | -21.1 | -171.7 | -71 | 168 | 0 | 0 | 0 | 113.3 | V129 L182 D183 | V129-L185 HydrophobicContact CG2-CD2 4.41Å; L182-L185 HydrophobicContact CB-CD1 4.39Å; L182-L185 HydrophobicContact CD2-CD1 3.64Å; L182-L185 WeakPolarHBondContact O-CB 3.35Å; L182-L185 PolarHBondContact O-N 3.21Å; D183-L185 VanDerWaalsContact C-N 3.33Å |
| 186 | W | 30.8 | Very low | 32.7 | Very low | 177 Ų | 177 | 113.4 Ų | 113.4 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -1.4 | 176.7 | 60.4 | -90.1 | 0 | 0 | 0 | 113.5 | D183 P184 | D183-W186 PolarHBondContact O-NE1 3.28Å; D183-W186 VanDerWaalsContact O-NE1 3.16Å; P184-W186 PolarHBondContact O-N 2.98Å |
| 187 | K | 28.5 | Very low | 33.8 | Very low | 139 Ų | 139 | 114 Ų | 114 | 60% | 0.604 | 60% | 0.601 | S | S | * | * | trans | -108 | 23.6 | 176.3 | -72.7 | -174.9 | -179.9 | 173.1 | 0 | 113.1 | P184 P189 | P184-K187 PolarHBondContact O-N 3.29Å; P184-K187 VanDerWaalsContact O-N 3.12Å; K187-P189 WeakPolarHBondContact O-CD 3.32Å | ||
| 188 | L | 28 | Very low | 35.6 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 61% | 0.607 | 61% | 0.61 | S | S | * | * | trans | -58.3 | 114.8 | 179.9 | -81.9 | 163 | 0 | 0 | 0 | 110.1 | ||||
| 189 | P | 23.9 | Very low | 37.8 | Very low | 100 Ų | 100 | 115.5 Ų | 115.5 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | trans | -63.9 | 148 | 163.3 | 25.8 | -21.1 | 0 | 0 | 0 | 107.1 | K187 I191 | K187-P189 WeakPolarHBondContact O-CD 3.32Å; P189-I191 PolarHBondContact O-N 3.44Å; P189-I191 VanDerWaalsContact O-N 3.1Å | ||
| 190 | A | 27.5 | Very low | 40.2 | Very low | 98 Ų | 98 | 113.6 Ų | 113.6 | 81% | 0.81 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -29.1 | 116.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V192 | A190-V192 PolarHBondContact O-N 3.01Š|
| 191 | I | 32 | Very low | 42.8 | Very low | 143 Ų | 143 | 117.1 Ų | 117.1 | 73% | 0.733 | 61% | 0.608 | S | S | * | * | trans | -11.8 | 109.2 | 173.4 | -60.2 | 163.1 | 0 | 0 | 0 | 111.6 | P189 T193 | P189-I191 PolarHBondContact O-N 3.44Å; P189-I191 VanDerWaalsContact O-N 3.1Å; I191-T193 HydrophobicContact CB-CG2 4.2Å; I191-T193 HydrophobicContact CG2-CG2 3.48Å; I191-T193 VanDerWaalsContact CG2-CG2 3.48Å; I191-T193 PolarHBondContact O-N 3.26Å | ||
| 192 | V | 29.8 | Very low | 45.4 | Very low | 135 Ų | 135 | 114.8 Ų | 114.8 | 82% | 0.818 | 61% | 0.606 | S | S | * | * | trans | -68.2 | 86.8 | 161.7 | -175 | 0 | 0 | 0 | 0 | 105.6 | A190 S194 | A190-V192 PolarHBondContact O-N 3.01Å; V192-S194 PolarHBondContact O-N 3.11Å | ||
| 193 | T | 38.2 | Very low | 48 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 58% | 0.577 | 62% | 0.616 | S | S | * | * | trans | -64.2 | 135.1 | -174.8 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | I191 | I191-T193 HydrophobicContact CB-CG2 4.2Å; I191-T193 HydrophobicContact CG2-CG2 3.48Å; I191-T193 VanDerWaalsContact CG2-CG2 3.48Å; I191-T193 PolarHBondContact O-N 3.26Å | ||
| 194 | S | 40.1 | Very low | 50.3 | Low | 81 Ų | 81 | 120.2 Ų | 120.2 | 57% | 0.566 | 62% | 0.623 | S | S | * | * | trans | -31.9 | 151.7 | 153.3 | 52.5 | 0 | 0 | 0 | 0 | 111.9 | V192 V196 | V192-S194 PolarHBondContact O-N 3.11Å; S194-V196 PolarHBondContact O-N 3.38Å | ||
| 195 | R | 49.1 | Very low | 52.9 | Low | 256 Ų | 256 | 128 Ų | 128 | 97% | 0.966 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -54.5 | 0.2 | 171.3 | -66.6 | -177.7 | -172.2 | -175.1 | 0.8 | 114.9 | ||
| 196 | V | 52.9 | Low | 55.4 | Low | 111 Ų | 111 | 127.9 Ų | 127.9 | 67% | 0.673 | 65% | 0.648 | S | S | * | * | trans | -91.2 | 112.8 | 176 | -173 | 0 | 0 | 0 | 0 | 109.4 | S194 | S194-V196 PolarHBondContact O-N 3.38Š| ||
| 197 | Q | 54.6 | Low | 57.8 | Low | 174 Ų | 174 | 120.2 Ų | 120.2 | 81% | 0.813 | 62% | 0.621 | S | S | * | * | trans | -92.5 | 139.6 | 168.1 | -68 | 179.3 | -26 | 0 | 0 | 109.4 | S199 | Q197-S199 PolarHBondContact O-N 2.99Š| ||
| 198 | H | 69.8 | Low | 60.4 | Low | 162 Ų | 162 | 119.3 Ų | 119.3 | 75% | 0.75 | 62% | 0.618 | S | S | * | * | trans | -74.3 | 117.1 | 170.9 | -177.1 | 60.3 | 0 | 0 | 0 | 109.4 | I200 | H198-I200 VanDerWaalsContact NE2-CG1 3.28Å; H198-I200 WeakPolarHBondContact NE2-CG1 3.45Å | ||
| 199 | S | 76.2 | Confident | 62.7 | Low | 79 Ų | 79 | 115.4 Ų | 115.4 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | trans | -108.7 | 126.2 | 174.2 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | Q197 | Q197-S199 PolarHBondContact O-N 2.99Š| ||
| 200 | I | 80.9 | Confident | 65.2 | Low | 89 Ų | 89 | 120.5 Ų | 120.5 | 46% | 0.456 | 60% | 0.604 | S | S | . | * | trans | -99.1 | 112.7 | 177.2 | -59.5 | 174 | 0 | 0 | 0 | 108.2 | H198 T271 | H198-I200 VanDerWaalsContact NE2-CG1 3.28Å; H198-I200 WeakPolarHBondContact NE2-CG1 3.45Å; I200-T271 HydrophobicContact CG2-CG2 3.78Å | ||
| 201 | K | 85 | Confident | 67.3 | Low | 137 Ų | 137 | 120.7 Ų | 120.7 | 60% | 0.596 | 60% | 0.595 | S | S | * | * | trans | -88.9 | 112.8 | 174.2 | -66.7 | 177.7 | -176.5 | 168.7 | 0 | 109.7 | T271 V272 | K201-T271 WeakPolarHBondContact O-CA 3.4Å; K201-V272 HydrophobicContact CB-CB 4.29Å; K201-V272 HydrophobicContact CB-CG2 4.24Å; K201-V272 PolarHBondContact O-N 3.19Å | ||
| 202 | A | 84.6 | Confident | 69 | Low | 41 Ų | 41 | 122.6 Ų | 122.6 | 34% | 0.339 | 59% | 0.593 | S | S | . | * | B | Isolated β-bridge | trans | -92.9 | 138.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | W243 I270 | A202-W243 HydrophobicContact CB-CH2 3.85Å; A202-W243 HydrophobicContact CB-CZ2 4.49Å; A202-I270 HydrophobicContact CB-CD1 3.81Å |
| 203 | R | 83.8 | Confident | 70.6 | Confident | 159 Ų | 159 | 126 Ų | 126 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -76.3 | -31.1 | 175.8 | -65.2 | 178.5 | 179.8 | 172.9 | -1.1 | 113 | I270 V272 | R203-I270 WeakPolarHBondContact CB-O 3.49Å; R203-I270 WeakPolarHBondContact CG-O 3.45Å; R203-I270 PolarHBondContact N-O 3.46Å; R203-V272 HydrophobicContact CG-CG2 3.53Å |
| 204 | N | 79.7 | Confident | 71.9 | Confident | 110 Ų | 110 | 124 Ų | 124 | 59% | 0.588 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -125.4 | 177.5 | -165.2 | -70 | -35.5 | 0 | 0 | 0 | 111.8 | I270 | N204-I270 HydrophobicContact CB-CB 4.27Å; N204-I270 HydrophobicContact CB-CG2 4.13Å |
| 205 | R | 84.5 | Confident | 72.9 | Confident | 224 Ų | 224 | 127.9 Ų | 127.9 | 85% | 0.845 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -58.1 | 159.8 | 176.1 | -66 | -176.9 | -176.6 | -176.2 | 0.9 | 112.6 | V207 | R205-V207 PolarHBondContact O-N 2.83Š|
| 206 | P | 83.7 | Confident | 74.2 | Confident | 60 Ų | 60 | 118.9 Ų | 118.9 | 39% | 0.39 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -48.2 | 130.4 | 174.4 | -28.9 | 35.5 | 0 | 0 | 0 | 114.3 | P242 W243 | P206-P242 HydrophobicContact CB-CB 3.88Å; P206-P242 HydrophobicContact CB-CG 3.92Å; P206-P242 WeakPolarHBondContact CB-O 3.3Å; P206-P242 HydrophobicContact CG-CB 4.06Å; P206-P242 HydrophobicContact CG-CG 3.7Å; P206-W243 VanDerWaalsContact CA-CH2 3.46Å; P206-W243 VanDerWaalsContact CA-CZ3 3.4Å; P206-W243 HydrophobicContact CB-CD2 3.75Å; P206-W243 HydrophobicContact CB-CE3 4.03Å; P206-W243 HydrophobicContact CB-CG 4.26Å; P206-W243 HydrophobicContact CB-CH2 4.27Å; P206-W243 HydrophobicContact CB-CZ2 3.99Å; P206-W243 HydrophobicContact CB-CZ3 4.28Å; P206-W243 HydrophobicContact CG-CD2 4.33Å; P206-W243 HydrophobicContact CG-CH2 4.38Å; P206-W243 HydrophobicContact CG-CZ2 3.8Å |
| 207 | V | 80.1 | Confident | 75.4 | Confident | 16 Ų | 16 | 118.1 Ų | 118.1 | 10% | 0.097 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -85.9 | 121 | 170.4 | 179.1 | 0 | 0 | 0 | 0 | 108 | R205 W243 A244 R266 I270 | R205-V207 PolarHBondContact O-N 2.83Å; V207-W243 HydrophobicContact CB-CE3 4.48Å; V207-W243 HydrophobicContact CB-CZ3 4.48Å; V207-W243 HydrophobicContact CG2-CZ3 4.46Å; V207-W243 VanDerWaalsContact N-CE3 3.29Å; V207-W243 VanDerWaalsContact N-CZ3 3.3Å; V207-W243 WeakPolarHBondContact O-CA 3.27Å; V207-A244 PolarHBondContact O-N 3.41Å; V207-R266 HydrophobicContact CG1-CB 3.66Å; V207-I270 HydrophobicContact CG2-CD1 3.92Å; V207-I270 HydrophobicContact CG2-CG1 4.23Å; V207-I270 HydrophobicContact CG2-CG2 4.35Å |
| 208 | H | 83.1 | Confident | 76.4 | Confident | 120 Ų | 120 | 115.2 Ų | 115.2 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | trans | -116.8 | 141.9 | 169.4 | 168 | -92.4 | 0 | 0 | 0 | 109.6 | R266 | H208-R266 PolarHBondContact O-NH1 3.13Å; H208-R266 VanDerWaalsContact O-NH1 3.11Å | ||
| 209 | I | 77 | Confident | 76.7 | Confident | 34 Ų | 34 | 111.2 Ų | 111.2 | 17% | 0.174 | 53% | 0.531 | C | S | . | . | trans | -120 | 140.7 | 168.8 | -165.5 | 159.1 | 0 | 0 | 0 | 109.1 | V211 A244 | I209-V211 PolarHBondContact O-N 3.43Å; I209-A244 HydrophobicContact CG2-CB 4.47Å; I209-A244 PolarHBondContact N-O 3.17Å | ||
| 210 | R | 76.9 | Confident | 76.8 | Confident | 207 Ų | 207 | 110.5 Ų | 110.5 | 78% | 0.781 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 134.8 | 171.6 | -170.6 | 176.2 | -178.7 | -178.8 | 0.3 | 108.9 | R212 | R210-R212 PolarHBondContact O-N 3.34Š|
| 211 | V | 71.5 | Confident | 76.8 | Confident | 103 Ų | 103 | 113 Ų | 113 | 62% | 0.624 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 130.7 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | I209 | I209-V211 PolarHBondContact O-N 3.43Š|
| 212 | R | 68.3 | Low | 76.5 | Confident | 182 Ų | 182 | 108.3 Ų | 108.3 | 69% | 0.687 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -94.9 | 118.7 | 171.9 | -67.9 | -176.6 | -179.1 | -120 | 3.7 | 107.7 | R210 L214 | R210-R212 PolarHBondContact O-N 3.34Å; R212-L214 PolarHBondContact O-N 3.26Å |
| 213 | W | 63.2 | Low | 76.2 | Confident | 206 Ų | 206 | 108.2 Ų | 108.2 | 78% | 0.78 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 119.3 | 175.5 | -58.7 | 100.2 | 0 | 0 | 0 | 109.4 | L215 | W213-L215 PolarHBondContact O-N 3.02Š|
| 214 | L | 64.4 | Low | 76.1 | Confident | 53 Ų | 53 | 105.5 Ų | 105.5 | 28% | 0.277 | 50% | 0.5 | S | S | . | . | trans | -71.2 | 111.1 | 168.5 | -114 | 82 | 0 | 0 | 0 | 108.8 | R212 V216 K219 L220 E223 L249 | R212-L214 PolarHBondContact O-N 3.26Å; L214-V216 VanDerWaalsContact C-N 3.33Å; L214-K219 HydrophobicContact CD2-CB 3.33Å; L214-K219 HydrophobicContact CD2-CD 4.47Å; L214-L220 HydrophobicContact CB-CB 4.39Å; L214-L220 HydrophobicContact CB-CD1 4.2Å; L214-E223 WeakPolarHBondContact CD1-OE2 3.45Å; L214-E223 WeakPolarHBondContact CD2-OE2 3.46Å; L214-L249 HydrophobicContact CD2-CD1 4Å | ||
| 215 | L | 62.3 | Low | 76.3 | Confident | 163 Ų | 163 | 107.5 Ų | 107.5 | 85% | 0.853 | 50% | 0.504 | S | S | * | . | trans | -84.5 | -5.1 | -178.4 | -68.8 | 168.1 | 0 | 0 | 0 | 113.7 | W213 | W213-L215 PolarHBondContact O-N 3.02Š| ||
| 216 | V | 76.7 | Confident | 76.2 | Confident | 66 Ų | 66 | 100 Ų | 100 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | trans | -101.9 | 113.3 | -179 | -176.5 | 0 | 0 | 0 | 0 | 109 | L214 D218 K219 L220 | L214-V216 VanDerWaalsContact C-N 3.33Å; V216-D218 PolarHBondContact O-N 3.14Å; V216-K219 HydrophobicContact CB-CB 4.2Å; V216-K219 HydrophobicContact CB-CD 4.11Å; V216-K219 HydrophobicContact CB-CG 4.09Å; V216-K219 HydrophobicContact CG1-CB 4.43Å; V216-K219 HydrophobicContact CG1-CD 4.36Å; V216-K219 HydrophobicContact CG1-CG 4.01Å; V216-K219 HydrophobicContact CG2-CD 4.45Å; V216-K219 PolarHBondContact O-N 3.37Å; V216-K219 VanDerWaalsContact O-N 3.15Å; V216-L220 PolarHBondContact O-N 3.47Å | ||
| 217 | P | 76.6 | Confident | 76 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 62% | 0.623 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -53.8 | -47.3 | -175.2 | -27.9 | 35 | 0 | 0 | 0 | 113.6 | K219 L220 E221 | P217-K219 VanDerWaalsContact C-N 3.26Å; P217-K219 PolarHBondContact O-N 3.1Å; P217-L220 WeakPolarHBondContact O-CB 3.37Å; P217-L220 PolarHBondContact O-N 2.71Å; P217-E221 PolarHBondContact O-N 3.28Å |
| 218 | D | 77.1 | Confident | 76 | Confident | 113 Ų | 113 | 104.4 Ų | 104.4 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.7 | -37.4 | -178.2 | -55.1 | -5.9 | 0 | 0 | 0 | 112.6 | V216 T222 | V216-D218 PolarHBondContact O-N 3.14Å; D218-T222 PolarHBondContact O-N 3.26Å; D218-T222 PolarHBondContact O-OG1 3.19Å |
| 219 | K | 76.4 | Confident | 75.9 | Confident | 77 Ų | 77 | 101 Ų | 101 | 34% | 0.335 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.5 | -39.8 | 177.7 | -66 | -172.3 | -175.7 | -175.5 | 0 | 110.6 | L214 V216 P217 T222 E223 L249 W257 | L214-K219 HydrophobicContact CD2-CB 3.33Å; L214-K219 HydrophobicContact CD2-CD 4.47Å; V216-K219 HydrophobicContact CB-CB 4.2Å; V216-K219 HydrophobicContact CB-CD 4.11Å; V216-K219 HydrophobicContact CB-CG 4.09Å; V216-K219 HydrophobicContact CG1-CB 4.43Å; V216-K219 HydrophobicContact CG1-CD 4.36Å; V216-K219 HydrophobicContact CG1-CG 4.01Å; V216-K219 HydrophobicContact CG2-CD 4.45Å; V216-K219 PolarHBondContact O-N 3.37Å; V216-K219 VanDerWaalsContact O-N 3.15Å; P217-K219 VanDerWaalsContact C-N 3.26Å; P217-K219 PolarHBondContact O-N 3.1Å; K219-T222 PolarHBondContact O-N 2.83Å; K219-E223 WeakPolarHBondContact O-CB 3.36Å; K219-E223 PolarHBondContact O-N 3.19Å; K219-L249 HydrophobicContact CB-CD1 3.87Å; K219-L249 VanDerWaalsContact O-CD1 3.26Å; K219-L249 WeakPolarHBondContact O-CD1 3.46Å; K219-W257 HydrophobicContact CD-CH2 4.13Å; K219-W257 HydrophobicContact CD-CZ2 4.15Å; K219-W257 VanDerWaalsContact CE-CH2 3.43Å; K219-W257 HydrophobicContact CG-CH2 4.36Å; K219-W257 HydrophobicContact CG-CZ2 3.92Å |
| 220 | L | 77.7 | Confident | 75.7 | Confident | 65 Ų | 65 | 101.5 Ų | 101.5 | 34% | 0.34 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 178 | -177 | 65.7 | 0 | 0 | 0 | 111.5 | L214 V216 P217 T222 E223 Q224 | L214-L220 HydrophobicContact CB-CB 4.39Å; L214-L220 HydrophobicContact CB-CD1 4.2Å; V216-L220 PolarHBondContact O-N 3.47Å; P217-L220 WeakPolarHBondContact O-CB 3.37Å; P217-L220 PolarHBondContact O-N 2.71Å; L220-T222 VanDerWaalsContact C-N 3.33Å; L220-T222 PolarHBondContact O-N 2.88Å; L220-E223 PolarHBondContact O-N 2.86Å; L220-Q224 HydrophobicContact CD1-CG 4.47Å; L220-Q224 WeakPolarHBondContact O-CB 3.25Å; L220-Q224 WeakPolarHBondContact O-CG 3.39Å; L220-Q224 PolarHBondContact O-N 3Å |
| 221 | E | 81.3 | Confident | 75.7 | Confident | 142 Ų | 142 | 95 Ų | 95 | 66% | 0.664 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62 | -42.9 | 176.5 | -172.7 | -179.3 | 177.6 | 0 | 0 | 111.1 | P217 Q224 K225 | P217-E221 PolarHBondContact O-N 3.28Å; E221-Q224 PolarHBondContact O-N 2.68Å; E221-K225 WeakPolarHBondContact O-CB 3.47Å; E221-K225 PolarHBondContact O-N 3.35Å |
| 222 | T | 78.7 | Confident | 76 | Confident | 37 Ų | 37 | 98.8 Ų | 98.8 | 23% | 0.227 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 177.5 | -52.8 | 0 | 0 | 0 | 0 | 112 | D218 K219 L220 K225 E226 W257 | D218-T222 PolarHBondContact O-N 3.26Å; D218-T222 PolarHBondContact O-OG1 3.19Å; K219-T222 PolarHBondContact O-N 2.83Å; L220-T222 VanDerWaalsContact C-N 3.33Å; L220-T222 PolarHBondContact O-N 2.88Å; T222-K225 PolarHBondContact O-N 3.41Å; T222-E226 WeakPolarHBondContact O-CG 2.91Å; T222-E226 PolarHBondContact O-N 3.33Å; T222-E226 VanDerWaalsContact O-N 3.13Å; T222-W257 HydrophobicContact CG2-CB 3.65Å; T222-W257 HydrophobicContact CG2-CG 4.1Å |
| 223 | E | 76.9 | Confident | 76.2 | Confident | 39 Ų | 39 | 97.9 Ų | 97.9 | 18% | 0.182 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 175.1 | -170 | 178.6 | 171.9 | 0 | 0 | 111.8 | L214 K219 L220 K225 E226 L227 L249 I260 | L214-E223 WeakPolarHBondContact CD1-OE2 3.45Å; L214-E223 WeakPolarHBondContact CD2-OE2 3.46Å; K219-E223 WeakPolarHBondContact O-CB 3.36Å; K219-E223 PolarHBondContact O-N 3.19Å; L220-E223 PolarHBondContact O-N 2.86Å; E223-K225 VanDerWaalsContact C-N 3.31Å; E223-K225 PolarHBondContact O-N 3.11Å; E223-E226 PolarHBondContact O-N 2.98Å; E223-L227 VanDerWaalsContact O-CB 3.29Å; E223-L227 WeakPolarHBondContact O-CB 3.4Å; E223-L227 PolarHBondContact O-N 2.78Å; E223-L249 HydrophobicContact CB-CD1 4.12Å; E223-L249 HydrophobicContact CB-CD2 4.12Å; E223-L249 HydrophobicContact CB-CG 4.37Å; E223-L249 HydrophobicContact CG-CD2 4.41Å; E223-I260 HydrophobicContact CG-CD1 4.32Å; E223-I260 WeakPolarHBondContact O-CD1 3.33Å |
| 224 | Q | 82.3 | Confident | 76.5 | Confident | 103 Ų | 103 | 91.1 Ų | 91.1 | 48% | 0.481 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 179 | -74.7 | -179 | -1.8 | 0 | 0 | 111.8 | L220 E221 L227 N228 | L220-Q224 HydrophobicContact CD1-CG 4.47Å; L220-Q224 WeakPolarHBondContact O-CB 3.25Å; L220-Q224 WeakPolarHBondContact O-CG 3.39Å; L220-Q224 PolarHBondContact O-N 3Å; E221-Q224 PolarHBondContact O-N 2.68Å; Q224-L227 PolarHBondContact O-N 3.2Å; Q224-N228 VanDerWaalsContact O-CB 3.28Å; Q224-N228 WeakPolarHBondContact O-CB 3.06Å; Q224-N228 PolarHBondContact O-N 2.99Å; Q224-N228 PolarHBondContact O-ND2 3.35Å; Q224-N228 VanDerWaalsContact O-ND2 3.15Å |
| 225 | K | 84.5 | Confident | 76.7 | Confident | 152 Ų | 152 | 94 Ų | 94 | 66% | 0.661 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.9 | -48.4 | 177.7 | -175.6 | 178.4 | 178.1 | 179.4 | 0 | 112 | E221 T222 E223 E229 | E221-K225 WeakPolarHBondContact O-CB 3.47Å; E221-K225 PolarHBondContact O-N 3.35Å; T222-K225 PolarHBondContact O-N 3.41Å; E223-K225 VanDerWaalsContact C-N 3.31Å; E223-K225 PolarHBondContact O-N 3.11Å; K225-E229 WeakPolarHBondContact O-CB 3.21Å; K225-E229 PolarHBondContact O-N 2.94Å |
| 226 | E | 81.8 | Confident | 77.2 | Confident | 65 Ų | 65 | 89.6 Ų | 89.6 | 30% | 0.304 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 177.5 | -71.9 | -68.2 | 141.9 | 0 | 0 | 111.6 | T222 E223 E229 L230 I260 | T222-E226 WeakPolarHBondContact O-CG 2.91Å; T222-E226 PolarHBondContact O-N 3.33Å; T222-E226 VanDerWaalsContact O-N 3.13Å; E223-E226 PolarHBondContact O-N 2.98Å; E226-E229 PolarHBondContact O-N 2.76Å; E226-L230 WeakPolarHBondContact O-CG 3.2Å; E226-L230 PolarHBondContact O-N 3.27Å; E226-I260 HydrophobicContact CB-CD1 3.55Å; E226-I260 HydrophobicContact CB-CG1 3.6Å; E226-I260 HydrophobicContact CG-CG1 4.44Å |
| 227 | L | 79.8 | Confident | 77.2 | Confident | 70 Ų | 70 | 94.4 Ų | 94.4 | 37% | 0.366 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 178.4 | -178.2 | 63.8 | 0 | 0 | 0 | 111.4 | E223 Q224 E229 L230 L231 L236 I260 | E223-L227 VanDerWaalsContact O-CB 3.29Å; E223-L227 WeakPolarHBondContact O-CB 3.4Å; E223-L227 PolarHBondContact O-N 2.78Å; Q224-L227 PolarHBondContact O-N 3.2Å; L227-E229 VanDerWaalsContact C-N 3.32Å; L227-E229 PolarHBondContact O-N 3.41Å; L227-L230 PolarHBondContact O-N 3.23Å; L227-L231 HydrophobicContact CG-CD1 4.31Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 3.46Å; L227-L236 HydrophobicContact CD1-CD1 3.54Å; L227-I260 HydrophobicContact CB-CD1 3.83Å; L227-I260 VanDerWaalsContact N-CD1 3.35Å |
| 228 | N | 80 | Confident | 77.3 | Confident | 99 Ų | 99 | 94.2 Ų | 94.2 | 53% | 0.529 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 177 | -75.1 | -27.8 | 0 | 0 | 0 | 111.9 | Q224 L231 R232 | Q224-N228 VanDerWaalsContact O-CB 3.28Å; Q224-N228 WeakPolarHBondContact O-CB 3.06Å; Q224-N228 PolarHBondContact O-N 2.99Å; Q224-N228 PolarHBondContact O-ND2 3.35Å; Q224-N228 VanDerWaalsContact O-ND2 3.15Å; N228-L231 PolarHBondContact O-N 3.16Å; N228-R232 VanDerWaalsContact O-CB 3.27Å; N228-R232 WeakPolarHBondContact O-CB 3.35Å; N228-R232 PolarHBondContact O-N 3.24Å |
| 229 | E | 80.7 | Confident | 77.2 | Confident | 50 Ų | 50 | 92.2 Ų | 92.2 | 23% | 0.234 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 175.3 | 179.5 | 60.3 | -170.9 | 0 | 0 | 111.7 | K225 E226 L227 R232 R233 | K225-E229 WeakPolarHBondContact O-CB 3.21Å; K225-E229 PolarHBondContact O-N 2.94Å; E226-E229 PolarHBondContact O-N 2.76Å; L227-E229 VanDerWaalsContact C-N 3.32Å; L227-E229 PolarHBondContact O-N 3.41Å; E229-R232 PolarHBondContact O-N 3.34Å; E229-R232 IonicContact OE1-CZ 2.76Å; E229-R232 IonicContact OE1-NE 3.88Å; E229-R232 IonicContact OE1-NH2 3.36Å; E229-R232 PolarHBondContact OE1-NH2 3.35Å; E229-R232 IonicContact OE2-CZ 2.81Å; E229-R232 IonicContact OE2-NE 2.77Å; E229-R232 PolarHBondContact OE2-NE 2.95Å; E229-R232 IonicContact OE2-NH2 3.25Å; E229-R232 PolarHBondContact OE2-NH2 2.78Å; E229-R232 VanDerWaalsContact OE2-NH2 3.11Å; E229-R233 WeakPolarHBondContact O-CG 3.35Å; E229-R233 PolarHBondContact O-N 3.22Å; E229-R233 IonicContact OE1-CZ 2.73Å; E229-R233 VanDerWaalsContact OE1-CZ 3.25Å; E229-R233 IonicContact OE1-NE 2.72Å; E229-R233 PolarHBondContact OE1-NE 3.16Å; E229-R233 IonicContact OE1-NH2 2.89Å; E229-R233 PolarHBondContact OE1-NH2 3.13Å |
| 230 | L | 73.7 | Confident | 77.4 | Confident | 43 Ų | 43 | 99 Ų | 99 | 23% | 0.225 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 175.7 | -70.1 | 176.6 | 0 | 0 | 0 | 112.7 | E226 L227 G234 I235 L236 | E226-L230 WeakPolarHBondContact O-CG 3.2Å; E226-L230 PolarHBondContact O-N 3.27Å; L227-L230 PolarHBondContact O-N 3.23Å; L230-G234 PolarHBondContact O-N 3.4Å; L230-I235 HydrophobicContact CD2-CB 4.36Å; L230-I235 HydrophobicContact CD2-CD1 3.89Å; L230-I235 HydrophobicContact CD2-CG2 4.36Å; L230-I235 PolarHBondContact O-N 2.83Å; L230-I235 VanDerWaalsContact O-N 3.09Å; L230-L236 HydrophobicContact CB-CB 4.43Å; L230-L236 HydrophobicContact CB-CD1 3.57Å; L230-L236 HydrophobicContact CB-CG 3.84Å; L230-L236 HydrophobicContact CD1-CD1 3.76Å; L230-L236 HydrophobicContact CD1-CG 4.38Å; L230-L236 HydrophobicContact CG-CD1 4.33Å; L230-L236 PolarHBondContact O-N 2.82Å |
| 231 | L | 76.8 | Confident | 77.4 | Confident | 72 Ų | 72 | 103.1 Ų | 103.1 | 38% | 0.377 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 170.9 | -73.8 | 168.3 | 0 | 0 | 0 | 111.2 | L227 N228 R233 G234 L236 | L227-L231 HydrophobicContact CG-CD1 4.31Å; L227-L231 WeakPolarHBondContact O-CG 3.46Å; L227-L231 PolarHBondContact O-N 3.46Å; N228-L231 PolarHBondContact O-N 3.16Å; L231-R233 VanDerWaalsContact C-N 3.27Å; L231-R233 PolarHBondContact O-N 3.38Å; L231-G234 PolarHBondContact O-N 3Å; L231-L236 HydrophobicContact CD2-CB 3.94Å; L231-L236 HydrophobicContact CG-CB 4.36Å |
| 232 | R | 77.7 | Confident | 77.4 | Confident | 181 Ų | 181 | 100.3 Ų | 100.3 | 68% | 0.683 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -33.6 | 178.4 | -167.7 | -172.7 | 71.9 | 82.5 | 2.3 | 112.5 | N228 E229 G234 | N228-R232 VanDerWaalsContact O-CB 3.27Å; N228-R232 WeakPolarHBondContact O-CB 3.35Å; N228-R232 PolarHBondContact O-N 3.24Å; E229-R232 PolarHBondContact O-N 3.34Å; E229-R232 IonicContact OE1-CZ 2.76Å; E229-R232 IonicContact OE1-NE 3.88Å; E229-R232 IonicContact OE1-NH2 3.36Å; E229-R232 PolarHBondContact OE1-NH2 3.35Å; E229-R232 IonicContact OE2-CZ 2.81Å; E229-R232 IonicContact OE2-NE 2.77Å; E229-R232 PolarHBondContact OE2-NE 2.95Å; E229-R232 IonicContact OE2-NH2 3.25Å; E229-R232 PolarHBondContact OE2-NH2 2.78Å; E229-R232 VanDerWaalsContact OE2-NH2 3.11Å; R232-G234 VanDerWaalsContact C-N 3.28Å |
| 233 | R | 70.8 | Confident | 77.6 | Confident | 164 Ų | 164 | 103.2 Ų | 103.2 | 62% | 0.619 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -9 | 175.1 | -71.4 | -179.4 | -172 | -161.6 | 5 | 114.1 | E229 L231 I235 | E229-R233 WeakPolarHBondContact O-CG 3.35Å; E229-R233 PolarHBondContact O-N 3.22Å; E229-R233 IonicContact OE1-CZ 2.73Å; E229-R233 VanDerWaalsContact OE1-CZ 3.25Å; E229-R233 IonicContact OE1-NE 2.72Å; E229-R233 PolarHBondContact OE1-NE 3.16Å; E229-R233 IonicContact OE1-NH2 2.89Å; E229-R233 PolarHBondContact OE1-NH2 3.13Å; L231-R233 VanDerWaalsContact C-N 3.27Å; L231-R233 PolarHBondContact O-N 3.38Å; R233-I235 HydrophobicContact CB-CD1 4.01Å; R233-I235 HydrophobicContact CB-CG1 3.99Å; R233-I235 PolarHBondContact O-N 3.1Å |
| 234 | G | 69.4 | Low | 77.7 | Confident | 64 Ų | 64 | 102.9 Ų | 102.9 | 66% | 0.66 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 17.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L230 L231 R232 | L230-G234 PolarHBondContact O-N 3.4Å; L231-G234 PolarHBondContact O-N 3Å; R232-G234 VanDerWaalsContact C-N 3.28Å |
| 235 | I | 70.5 | Confident | 77.6 | Confident | 112 Ų | 112 | 100.4 Ų | 100.4 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -75.9 | -39.3 | 173.8 | -63.7 | 171.2 | 0 | 0 | 0 | 109.6 | L230 R233 | L230-I235 HydrophobicContact CD2-CB 4.36Å; L230-I235 HydrophobicContact CD2-CD1 3.89Å; L230-I235 HydrophobicContact CD2-CG2 4.36Å; L230-I235 PolarHBondContact O-N 2.83Å; L230-I235 VanDerWaalsContact O-N 3.09Å; R233-I235 HydrophobicContact CB-CD1 4.01Å; R233-I235 HydrophobicContact CB-CG1 3.99Å; R233-I235 PolarHBondContact O-N 3.1Å |
| 236 | L | 71.5 | Confident | 77.3 | Confident | 71 Ų | 71 | 94.2 Ų | 94.2 | 37% | 0.372 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -105.3 | 151.3 | 173.3 | -63.9 | 178.2 | 0 | 0 | 0 | 110.5 | L227 L230 L231 | L227-L236 HydrophobicContact CD1-CD1 3.54Å; L230-L236 HydrophobicContact CB-CB 4.43Å; L230-L236 HydrophobicContact CB-CD1 3.57Å; L230-L236 HydrophobicContact CB-CG 3.84Å; L230-L236 HydrophobicContact CD1-CD1 3.76Å; L230-L236 HydrophobicContact CD1-CG 4.38Å; L230-L236 HydrophobicContact CG-CD1 4.33Å; L230-L236 PolarHBondContact O-N 2.82Å; L231-L236 HydrophobicContact CD2-CB 3.94Å; L231-L236 HydrophobicContact CG-CB 4.36Å |
| 237 | M | 77.2 | Confident | 77.1 | Confident | 168 Ų | 168 | 94 Ų | 94 | 83% | 0.828 | 48% | 0.484 | S | S | * | . | trans | -134.7 | 144.5 | 172.6 | -172.4 | -178.4 | -66 | 0 | 0 | 108.7 | S239 | M237-S239 PolarHBondContact O-N 3.38Š| ||
| 238 | S | 78.5 | Confident | 76.9 | Confident | 91 Ų | 91 | 94.3 Ų | 94.3 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | trans | -61.3 | 134.3 | 169.6 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 239 | S | 75.5 | Confident | 76.7 | Confident | 71 Ų | 71 | 91.1 Ų | 91.1 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | trans | -140.1 | 152.6 | -176.5 | 75.5 | 0 | 0 | 0 | 0 | 111.3 | M237 F241 | M237-S239 PolarHBondContact O-N 3.38Å; S239-F241 VanDerWaalsContact CB-CD2 3.48Å | ||
| 240 | Y | 79.5 | Confident | 76.5 | Confident | 221 Ų | 221 | 91.9 Ų | 91.9 | 87% | 0.867 | 48% | 0.475 | S | S | * | . | trans | -113.4 | 34.3 | -178 | -60.6 | -83 | 0 | 0 | 0 | 111.7 | ||||
| 241 | F | 77.6 | Confident | 76.4 | Confident | 151 Ų | 151 | 93.9 Ų | 93.9 | 66% | 0.662 | 49% | 0.485 | S | S | * | . | trans | -84.9 | 151 | -175.1 | -67.6 | -62.7 | 0 | 0 | 0 | 112.5 | S239 W243 | S239-F241 VanDerWaalsContact CB-CD2 3.48Å; F241-W243 PolarHBondContact O-N 2.96Å | ||
| 242 | P | 81.4 | Confident | 76 | Confident | 82 Ų | 82 | 96.5 Ų | 96.5 | 53% | 0.532 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -72.7 | 10.1 | 176.4 | 32.3 | -37.5 | 0 | 0 | 0 | 113.6 | P206 | P206-P242 HydrophobicContact CB-CB 3.88Å; P206-P242 HydrophobicContact CB-CG 3.92Å; P206-P242 WeakPolarHBondContact CB-O 3.3Å; P206-P242 HydrophobicContact CG-CB 4.06Å; P206-P242 HydrophobicContact CG-CG 3.7Å |
| 243 | W | 82.6 | Confident | 75.2 | Confident | 99 Ų | 99 | 93.3 Ų | 93.3 | 38% | 0.375 | 50% | 0.499 | S | S | . | . | trans | -103.9 | 126.7 | -177.1 | -62 | 98.4 | 0 | 0 | 0 | 109.8 | A202 P206 V207 F241 L267 I270 | A202-W243 HydrophobicContact CB-CH2 3.85Å; A202-W243 HydrophobicContact CB-CZ2 4.49Å; P206-W243 VanDerWaalsContact CA-CH2 3.46Å; P206-W243 VanDerWaalsContact CA-CZ3 3.4Å; P206-W243 HydrophobicContact CB-CD2 3.75Å; P206-W243 HydrophobicContact CB-CE3 4.03Å; P206-W243 HydrophobicContact CB-CG 4.26Å; P206-W243 HydrophobicContact CB-CH2 4.27Å; P206-W243 HydrophobicContact CB-CZ2 3.99Å; P206-W243 HydrophobicContact CB-CZ3 4.28Å; P206-W243 HydrophobicContact CG-CD2 4.33Å; P206-W243 HydrophobicContact CG-CH2 4.38Å; P206-W243 HydrophobicContact CG-CZ2 3.8Å; V207-W243 HydrophobicContact CB-CE3 4.48Å; V207-W243 HydrophobicContact CB-CZ3 4.48Å; V207-W243 HydrophobicContact CG2-CZ3 4.46Å; V207-W243 VanDerWaalsContact N-CE3 3.29Å; V207-W243 VanDerWaalsContact N-CZ3 3.3Å; V207-W243 WeakPolarHBondContact O-CA 3.27Å; F241-W243 PolarHBondContact O-N 2.96Å; W243-L267 HydrophobicContact CE3-CD1 3.93Å; W243-L267 HydrophobicContact CZ3-CD1 3.83Å; W243-I270 HydrophobicContact CH2-CD1 3.68Å; W243-I270 HydrophobicContact CZ3-CD1 3.51Å | ||
| 244 | A | 80.8 | Confident | 74.8 | Confident | 32 Ų | 32 | 88 Ų | 88 | 26% | 0.264 | 50% | 0.495 | S | S | . | . | trans | -145.3 | 130.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | V207 I209 | V207-A244 PolarHBondContact O-N 3.41Å; I209-A244 HydrophobicContact CG2-CB 4.47Å; I209-A244 PolarHBondContact N-O 3.17Å | ||
| 245 | S | 79.9 | Confident | 74.3 | Confident | 51 Ų | 51 | 91.8 Ų | 91.8 | 36% | 0.357 | 50% | 0.5 | S | S | . | . | trans | -118.8 | 151.4 | 173.1 | -65.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 246 | S | 77.8 | Confident | 74 | Confident | 22 Ų | 22 | 92.9 Ų | 92.9 | 15% | 0.154 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 153 | 179.1 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | H248 C263 | S246-H248 PolarHBondContact OG-NE2 3.41Å; S246-C263 PolarHBondContact O-N 3Å; S246-C263 WeakPolarHBondContact OG-CB 3.32Å |
| 247 | V | 77.3 | Confident | 73.6 | Confident | 59 Ų | 59 | 93.2 Ų | 93.2 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 137.3 | 177.2 | 161.6 | 0 | 0 | 0 | 0 | 108.5 | I260 L261 | V247-I260 HydrophobicContact CB-CG2 4.26Å; V247-I260 HydrophobicContact CG1-CB 4.44Å; V247-I260 HydrophobicContact CG1-CG2 3.16Å; V247-I260 HydrophobicContact CG2-CG2 4.16Å; V247-L261 WeakPolarHBondContact CA-O 3.26Å |
| 248 | H | 76.1 | Confident | 72.8 | Confident | 78 Ų | 78 | 88.9 Ų | 88.9 | 36% | 0.361 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137 | -179.6 | -66.3 | -99.8 | 0 | 0 | 0 | 110.2 | S246 L261 C263 | S246-H248 PolarHBondContact OG-NE2 3.41Å; H248-L261 PolarHBondContact N-O 3.33Å; H248-L261 PolarHBondContact O-N 3.4Å; H248-C263 PolarHBondContact CD2-SG 2.83Å; H248-C263 PolarHBondContact NE2-SG 3.25Å |
| 249 | L | 75.9 | Confident | 72.1 | Confident | 31 Ų | 31 | 85.6 Ų | 85.6 | 16% | 0.162 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.1 | 170.2 | -67.6 | 172.6 | 0 | 0 | 0 | 110 | L214 K219 E223 W257 I260 | L214-L249 HydrophobicContact CD2-CD1 4Å; K219-L249 HydrophobicContact CB-CD1 3.87Å; K219-L249 VanDerWaalsContact O-CD1 3.26Å; K219-L249 WeakPolarHBondContact O-CD1 3.46Å; E223-L249 HydrophobicContact CB-CD1 4.12Å; E223-L249 HydrophobicContact CB-CD2 4.12Å; E223-L249 HydrophobicContact CB-CG 4.37Å; E223-L249 HydrophobicContact CG-CD2 4.41Å; L249-W257 HydrophobicContact CB-CE3 3.85Å; L249-W257 HydrophobicContact CB-CZ3 4.26Å; L249-I260 HydrophobicContact CD2-CG1 4.31Å |
| 250 | V | 76 | Confident | 71.7 | Confident | 67 Ų | 67 | 84.2 Ų | 84.2 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.5 | 177.5 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | N258 L261 | V250-N258 PolarHBondContact O-N 3.49Å; V250-L261 HydrophobicContact CG2-CB 3.97Å; V250-L261 HydrophobicContact CG2-CD2 3.99Å |
| 251 | L | 71.9 | Confident | 71.3 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 45% | 0.445 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.5 | 171 | -165.8 | 73.3 | 0 | 0 | 0 | 108.6 | W257 | L251-W257 HydrophobicContact CB-CE3 4.05Å; L251-W257 HydrophobicContact CB-CZ3 3.97Å; L251-W257 HydrophobicContact CD1-CD2 3.86Å; L251-W257 HydrophobicContact CD1-CE3 4.05Å; L251-W257 HydrophobicContact CD1-CG 4.21Å; L251-W257 HydrophobicContact CD1-CZ2 4.4Å; L251-W257 HydrophobicContact CD1-CZ3 4.39Å |
| 252 | K | 67.6 | Low | 71.2 | Confident | 127 Ų | 127 | 73.3 Ų | 73.3 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 165.7 | 170.4 | -164.6 | 177.1 | 178.3 | -176.8 | 0 | 109.3 | G254 H256 N258 | K252-G254 PolarHBondContact O-N 3.19Å; K252-H256 PolarHBondContact N-O 2.98Å; K252-N258 HydrophobicContact CB-CB 3.67Å; K252-N258 VanDerWaalsContact CB-ND2 3.27Å; K252-N258 WeakPolarHBondContact CB-ND2 3.1Å; K252-N258 HydrophobicContact CD-CB 4.04Å |
| 253 | S | 61.1 | Low | 70.9 | Confident | 113 Ų | 113 | 71 Ų | 71 | 79% | 0.79 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 120.7 | 175.2 | 54.4 | 0 | 0 | 0 | 0 | 111 | ||
| 254 | G | 62.9 | Low | 70.7 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 55% | 0.546 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 119.9 | 14.7 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | K252 H256 | K252-G254 PolarHBondContact O-N 3.19Å; G254-H256 PolarHBondContact O-CE1 3.16Å; G254-H256 PolarHBondContact O-N 3.12Å; G254-H256 PolarHBondContact O-ND1 3.18Å |
| 255 | N | 59.4 | Low | 70.9 | Confident | 144 Ų | 144 | 74.5 Ų | 74.5 | 77% | 0.77 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 14.2 | -176.9 | -75.1 | -1 | 0 | 0 | 0 | 115.5 | ||
| 256 | H | 63.5 | Low | 71 | Confident | 135 Ų | 135 | 78.3 Ų | 78.3 | 63% | 0.625 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122 | 173.7 | -64.8 | 81.6 | 0 | 0 | 0 | 109 | K252 G254 N258 | K252-H256 PolarHBondContact N-O 2.98Å; G254-H256 PolarHBondContact O-CE1 3.16Å; G254-H256 PolarHBondContact O-N 3.12Å; G254-H256 PolarHBondContact O-ND1 3.18Å; H256-N258 PolarHBondContact O-N 3.45Å; H256-N258 PolarHBondContact O-ND2 3.14Å |
| 257 | W | 63.1 | Low | 71.3 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 29% | 0.292 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 118.5 | 167.5 | -60.6 | 102 | 0 | 0 | 0 | 107.6 | K219 T222 L249 L251 | K219-W257 HydrophobicContact CD-CH2 4.13Å; K219-W257 HydrophobicContact CD-CZ2 4.15Å; K219-W257 VanDerWaalsContact CE-CH2 3.43Å; K219-W257 HydrophobicContact CG-CH2 4.36Å; K219-W257 HydrophobicContact CG-CZ2 3.92Å; T222-W257 HydrophobicContact CG2-CB 3.65Å; T222-W257 HydrophobicContact CG2-CG 4.1Å; L249-W257 HydrophobicContact CB-CE3 3.85Å; L249-W257 HydrophobicContact CB-CZ3 4.26Å; L251-W257 HydrophobicContact CB-CE3 4.05Å; L251-W257 HydrophobicContact CB-CZ3 3.97Å; L251-W257 HydrophobicContact CD1-CD2 3.86Å; L251-W257 HydrophobicContact CD1-CE3 4.05Å; L251-W257 HydrophobicContact CD1-CG 4.21Å; L251-W257 HydrophobicContact CD1-CZ2 4.4Å; L251-W257 HydrophobicContact CD1-CZ3 4.39Å |
| 258 | N | 59.4 | Low | 71.7 | Confident | 77 Ų | 77 | 81 Ų | 81 | 41% | 0.412 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 97 | -177.8 | -88.5 | -102.5 | 0 | 0 | 0 | 108.2 | V250 K252 H256 | V250-N258 PolarHBondContact O-N 3.49Å; K252-N258 HydrophobicContact CB-CB 3.67Å; K252-N258 VanDerWaalsContact CB-ND2 3.27Å; K252-N258 WeakPolarHBondContact CB-ND2 3.1Å; K252-N258 HydrophobicContact CD-CB 4.04Å; H256-N258 PolarHBondContact O-N 3.45Å; H256-N258 PolarHBondContact O-ND2 3.14Å |
| 259 | G | 64.2 | Low | 72.2 | Confident | 23 Ų | 23 | 81 Ų | 81 | 24% | 0.237 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.6 | 166.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 260 | I | 67.2 | Low | 72.8 | Confident | 42 Ų | 42 | 80.5 Ų | 80.5 | 22% | 0.215 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123 | 178.6 | -64.6 | -178.5 | 0 | 0 | 0 | 108.4 | E223 E226 L227 V247 L249 | E223-I260 HydrophobicContact CG-CD1 4.32Å; E223-I260 WeakPolarHBondContact O-CD1 3.33Å; E226-I260 HydrophobicContact CB-CD1 3.55Å; E226-I260 HydrophobicContact CB-CG1 3.6Å; E226-I260 HydrophobicContact CG-CG1 4.44Å; L227-I260 HydrophobicContact CB-CD1 3.83Å; L227-I260 VanDerWaalsContact N-CD1 3.35Å; V247-I260 HydrophobicContact CB-CG2 4.26Å; V247-I260 HydrophobicContact CG1-CB 4.44Å; V247-I260 HydrophobicContact CG1-CG2 3.16Å; V247-I260 HydrophobicContact CG2-CG2 4.16Å; L249-I260 HydrophobicContact CD2-CG1 4.31Å |
| 261 | L | 72.6 | Confident | 73.3 | Confident | 98 Ų | 98 | 78.8 Ų | 78.8 | 51% | 0.513 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.9 | 174.4 | -169.4 | 72.7 | 0 | 0 | 0 | 110.7 | V247 H248 V250 | V247-L261 WeakPolarHBondContact CA-O 3.26Å; H248-L261 PolarHBondContact N-O 3.33Å; H248-L261 PolarHBondContact O-N 3.4Å; V250-L261 HydrophobicContact CG2-CB 3.97Å; V250-L261 HydrophobicContact CG2-CD2 3.99Å |
| 262 | G | 74.6 | Confident | 74 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 46% | 0.464 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C264 | G262-C264 PolarHBondContact O-N 3.43Å; G262-C264 VanDerWaalsContact O-N 3.09Å |
| 263 | C | 74.4 | Confident | 74.8 | Confident | 33 Ų | 33 | 76.4 Ų | 76.4 | 22% | 0.223 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 83.4 | 173 | -84 | 0 | 0 | 0 | 0 | 110.7 | S246 H248 E265 | S246-C263 PolarHBondContact O-N 3Å; S246-C263 WeakPolarHBondContact OG-CB 3.32Å; H248-C263 PolarHBondContact CD2-SG 2.83Å; H248-C263 PolarHBondContact NE2-SG 3.25Å; C263-E265 PolarHBondContact O-N 3.2Å |
| 264 | C | 78.6 | Confident | 75.4 | Confident | 54 Ų | 54 | 78.5 Ų | 78.5 | 37% | 0.365 | 44% | 0.442 | S | S | . | . | trans | -79.8 | 12.4 | 177.1 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | G262 R266 L267 N268 | G262-C264 PolarHBondContact O-N 3.43Å; G262-C264 VanDerWaalsContact O-N 3.09Å; C264-R266 PolarHBondContact O-N 3.03Å; C264-L267 HydrophobicContact CB-CB 4.34Å; C264-L267 HydrophobicContact CB-CD2 4.49Å; C264-L267 CarbonylContact O-C 3.55Å; C264-L267 WeakPolarHBondContact O-CA 3.26Å; C264-L267 WeakPolarHBondContact O-CB 3.46Å; C264-L267 PolarHBondContact O-N 3.38Å; C264-N268 WeakPolarHBondContact O-CB 3.5Å; C264-N268 PolarHBondContact O-N 2.96Å; C264-N268 PolarHBondContact O-ND2 3.09Å; C264-N268 PolarHBondContact O-OD1 2.88Å; C264-N268 PolarHBondContact SG-ND2 2.81Å | ||
| 265 | E | 84.7 | Confident | 75.4 | Confident | 150 Ų | 150 | 79.6 Ų | 79.6 | 70% | 0.701 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -56 | -47.9 | -176.7 | -65.5 | 178.2 | 179.4 | 0 | 0 | 112.9 | C263 L267 N268 A269 | C263-E265 PolarHBondContact O-N 3.2Å; E265-L267 VanDerWaalsContact C-N 3.28Å; E265-L267 PolarHBondContact O-N 3.24Å; E265-N268 PolarHBondContact O-N 2.67Å; E265-A269 WeakPolarHBondContact O-CB 3.01Å; E265-A269 PolarHBondContact O-N 3.15Å |
| 266 | R | 83.6 | Confident | 75.5 | Confident | 132 Ų | 132 | 82.1 Ų | 82.1 | 50% | 0.498 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.4 | -30.9 | 177.8 | -63.6 | -179.4 | 73.9 | -167.8 | 1.8 | 112.2 | V207 H208 C264 | V207-R266 HydrophobicContact CG1-CB 3.66Å; H208-R266 PolarHBondContact O-NH1 3.13Å; H208-R266 VanDerWaalsContact O-NH1 3.11Å; C264-R266 PolarHBondContact O-N 3.03Å |
| 267 | L | 83.7 | Confident | 75.6 | Confident | 42 Ų | 42 | 80.6 Ų | 80.6 | 22% | 0.22 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69.6 | -49.6 | 174.2 | -175.9 | 67.3 | 0 | 0 | 0 | 109.9 | W243 C264 E265 A269 I270 T271 | W243-L267 HydrophobicContact CE3-CD1 3.93Å; W243-L267 HydrophobicContact CZ3-CD1 3.83Å; C264-L267 HydrophobicContact CB-CB 4.34Å; C264-L267 HydrophobicContact CB-CD2 4.49Å; C264-L267 CarbonylContact O-C 3.55Å; C264-L267 WeakPolarHBondContact O-CA 3.26Å; C264-L267 WeakPolarHBondContact O-CB 3.46Å; C264-L267 PolarHBondContact O-N 3.38Å; E265-L267 VanDerWaalsContact C-N 3.28Å; E265-L267 PolarHBondContact O-N 3.24Å; L267-A269 VanDerWaalsContact C-N 3.25Å; L267-A269 PolarHBondContact O-N 3.46Å; L267-I270 WeakPolarHBondContact O-CG1 3.4Å; L267-I270 PolarHBondContact O-N 3.44Å; L267-I270 VanDerWaalsContact O-N 3.08Å; L267-T271 PolarHBondContact O-N 3.15Å; L267-T271 PolarHBondContact O-OG1 2.9Å |
| 268 | N | 86.2 | Confident | 75.6 | Confident | 96 Ų | 96 | 81.1 Ų | 81.1 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.2 | -36.9 | 177.6 | -66.4 | -13.8 | 0 | 0 | 0 | 112 | C264 E265 I270 T271 | C264-N268 WeakPolarHBondContact O-CB 3.5Å; C264-N268 PolarHBondContact O-N 2.96Å; C264-N268 PolarHBondContact O-ND2 3.09Å; C264-N268 PolarHBondContact O-OD1 2.88Å; C264-N268 PolarHBondContact SG-ND2 2.81Å; E265-N268 PolarHBondContact O-N 2.67Å; N268-I270 PolarHBondContact O-N 3.15Å; N268-T271 PolarHBondContact O-N 3.02Å |
| 269 | A | 86.3 | Confident | 75.4 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 65% | 0.645 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.3 | -26 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | E265 L267 | E265-A269 WeakPolarHBondContact O-CB 3.01Å; E265-A269 PolarHBondContact O-N 3.15Å; L267-A269 VanDerWaalsContact C-N 3.25Å; L267-A269 PolarHBondContact O-N 3.46Å |
| 270 | I | 87.5 | Confident | 75.3 | Confident | 19 Ų | 19 | 84.5 Ų | 84.5 | 10% | 0.097 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -103.5 | -11.5 | 177.5 | 68.4 | 149.7 | 0 | 0 | 0 | 113.2 | A202 R203 N204 V207 W243 L267 N268 | A202-I270 HydrophobicContact CB-CD1 3.81Å; R203-I270 WeakPolarHBondContact CB-O 3.49Å; R203-I270 WeakPolarHBondContact CG-O 3.45Å; R203-I270 PolarHBondContact N-O 3.46Å; N204-I270 HydrophobicContact CB-CB 4.27Å; N204-I270 HydrophobicContact CB-CG2 4.13Å; V207-I270 HydrophobicContact CG2-CD1 3.92Å; V207-I270 HydrophobicContact CG2-CG1 4.23Å; V207-I270 HydrophobicContact CG2-CG2 4.35Å; W243-I270 HydrophobicContact CH2-CD1 3.68Å; W243-I270 HydrophobicContact CZ3-CD1 3.51Å; L267-I270 WeakPolarHBondContact O-CG1 3.4Å; L267-I270 PolarHBondContact O-N 3.44Å; L267-I270 VanDerWaalsContact O-N 3.08Å; N268-I270 PolarHBondContact O-N 3.15Å |
| 271 | T | 87.3 | Confident | 74.8 | Confident | 32 Ų | 32 | 86 Ų | 86 | 20% | 0.196 | 49% | 0.494 | C | S | . | . | B | Isolated β-bridge | trans | -69.4 | 136.1 | 176.9 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | I200 K201 L267 N268 P273 | I200-T271 HydrophobicContact CG2-CG2 3.78Å; K201-T271 WeakPolarHBondContact O-CA 3.4Å; L267-T271 PolarHBondContact O-N 3.15Å; L267-T271 PolarHBondContact O-OG1 2.9Å; N268-T271 PolarHBondContact O-N 3.02Å; T271-P273 WeakPolarHBondContact O-CD 3.2Å |
| 272 | V | 87.1 | Confident | 73.9 | Confident | 60 Ų | 60 | 89.7 Ų | 89.7 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 119.3 | 170.2 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | K201 R203 E274 | K201-V272 HydrophobicContact CB-CB 4.29Å; K201-V272 HydrophobicContact CB-CG2 4.24Å; K201-V272 PolarHBondContact O-N 3.19Å; R203-V272 HydrophobicContact CG-CG2 3.53Å; V272-E274 PolarHBondContact O-N 2.95Å; V272-E274 VanDerWaalsContact O-N 3.17Å |
| 273 | P | 83 | Confident | 72.4 | Confident | 102 Ų | 102 | 93.5 Ų | 93.5 | 66% | 0.662 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 119.7 | 177.3 | 25.9 | -31.9 | 0 | 0 | 0 | 109.2 | T271 | T271-P273 WeakPolarHBondContact O-CD 3.2Š|
| 274 | E | 74.4 | Confident | 70.9 | Confident | 156 Ų | 156 | 94.6 Ų | 94.6 | 73% | 0.729 | 53% | 0.526 | S | S | * | . | trans | -107.2 | 100.9 | 172.6 | -172 | 171.6 | -170.5 | 0 | 0 | 107.5 | V272 | V272-E274 PolarHBondContact O-N 2.95Å; V272-E274 VanDerWaalsContact O-N 3.17Å | ||
| 275 | G | 62.1 | Low | 68.8 | Low | 76 Ų | 76 | 96.4 Ų | 96.4 | 78% | 0.784 | 54% | 0.537 | S | S | * | . | trans | -83.6 | 116.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 276 | Y | 63.2 | Low | 66.6 | Low | 198 Ų | 198 | 92.1 Ų | 92.1 | 78% | 0.776 | 52% | 0.524 | S | S | * | . | trans | -81.4 | 139.3 | 157.7 | -163.7 | -94.3 | 0 | 0 | 0 | 108.1 | V278 | Y276-V278 VanDerWaalsContact C-N 3.33Å; Y276-V278 PolarHBondContact O-N 2.87Å | ||
| 277 | P | 65.1 | Low | 64.4 | Low | 102 Ų | 102 | 89.9 Ų | 89.9 | 66% | 0.662 | 53% | 0.534 | S | S | * | . | trans | -64.5 | 95.7 | 174.5 | 26.7 | -33.4 | 0 | 0 | 0 | 109.1 | P279 | P277-P279 WeakPolarHBondContact O-CD 3.07Š| ||
| 278 | V | 63.3 | Low | 62.3 | Low | 88 Ų | 88 | 92.2 Ų | 92.2 | 53% | 0.533 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 117.9 | 167.9 | -178.7 | 0 | 0 | 0 | 0 | 106.2 | Y276 V280 | Y276-V278 VanDerWaalsContact C-N 3.33Å; Y276-V278 PolarHBondContact O-N 2.87Å; V278-V280 PolarHBondContact O-N 3.39Å; V278-V280 VanDerWaalsContact O-N 3.16Å |
| 279 | P | 54.8 | Low | 59.9 | Low | 89 Ų | 89 | 92.2 Ų | 92.2 | 58% | 0.578 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -58 | 123.7 | 178.3 | -21.2 | 31.6 | 0 | 0 | 0 | 109.5 | P277 E281 | P277-P279 WeakPolarHBondContact O-CD 3.07Å; P279-E281 PolarHBondContact O-N 3.37Å |
| 280 | V | 62.6 | Low | 57.2 | Low | 83 Ų | 83 | 91.8 Ų | 91.8 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 129 | 166.4 | -178.6 | 0 | 0 | 0 | 0 | 106 | V278 E282 N283 S284 | V278-V280 PolarHBondContact O-N 3.39Å; V278-V280 VanDerWaalsContact O-N 3.16Å; V280-E282 HydrophobicContact CG1-CB 4.21Å; V280-E282 PolarHBondContact O-N 3.11Å; V280-N283 HydrophobicContact CB-CB 4.42Å; V280-N283 CarbonylContact O-C 3.56Å; V280-N283 PolarHBondContact O-N 2.71Å; V280-S284 PolarHBondContact O-N 2.97Å |
| 281 | E | 56.8 | Low | 54.4 | Low | 73 Ų | 73 | 95.2 Ų | 95.2 | 34% | 0.341 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -58 | -24 | -174.8 | -65 | -158.2 | 157.3 | 0 | 0 | 113.3 | P279 S284 R306 N307 | P279-E281 PolarHBondContact O-N 3.37Å; E281-S284 PolarHBondContact O-OG 3.07Å; E281-R306 HydrophobicContact CG-CB 4.04Å; E281-R306 WeakPolarHBondContact OE1-CB 3.48Å; E281-R306 VanDerWaalsContact OE1-CD 3.25Å; E281-R306 WeakPolarHBondContact OE1-CD 3.47Å; E281-N307 WeakPolarHBondContact OE2-CB 3.46Å; E281-N307 PolarHBondContact OE2-ND2 2.92Å |
| 282 | E | 52.4 | Low | 51.6 | Low | 175 Ų | 175 | 96.6 Ų | 96.6 | 82% | 0.818 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -76.1 | -23.1 | 176.8 | -63.2 | -180 | 165.7 | 0 | 0 | 113.2 | V280 | V280-E282 HydrophobicContact CG1-CB 4.21Å; V280-E282 PolarHBondContact O-N 3.11Å |
| 283 | N | 44.5 | Very low | 48.9 | Very low | 126 Ų | 126 | 97.1 Ų | 97.1 | 67% | 0.674 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -109.8 | 21.3 | -177.5 | -68.7 | -20.6 | 0 | 0 | 0 | 112.7 | V280 P285 | V280-N283 HydrophobicContact CB-CB 4.42Å; V280-N283 CarbonylContact O-C 3.56Å; V280-N283 PolarHBondContact O-N 2.71Å; N283-P285 WeakPolarHBondContact O-CD 3.18Å |
| 284 | S | 41.1 | Very low | 46.7 | Very low | 56 Ų | 56 | 96.1 Ų | 96.1 | 39% | 0.392 | 59% | 0.59 | S | S | . | * | trans | -104.9 | 58.6 | 169 | 60 | 0 | 0 | 0 | 0 | 112.1 | V280 E281 | V280-S284 PolarHBondContact O-N 2.97Å; E281-S284 PolarHBondContact O-OG 3.07Å | ||
| 285 | P | 34.9 | Very low | 44.7 | Very low | 92 Ų | 92 | 93.8 Ų | 93.8 | 60% | 0.597 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 144.7 | 161.8 | 34 | -30.3 | 0 | 0 | 0 | 106.1 | N283 | N283-P285 WeakPolarHBondContact O-CD 3.18Š|
| 286 | S | 39 | Very low | 43.3 | Very low | 60 Ų | 60 | 94.3 Ų | 94.3 | 42% | 0.42 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 100 | -23.5 | 168.6 | -35.4 | 0 | 0 | 0 | 0 | 119.2 | ||
| 287 | A | 37.9 | Very low | 42.1 | Very low | 85 Ų | 85 | 90.2 Ų | 90.2 | 70% | 0.702 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 288 | T | 39.1 | Very low | 40.8 | Very low | 90 Ų | 90 | 93.1 Ų | 93.1 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | 11.9 | -174.5 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | G290 R336 | T288-G290 PolarHBondContact O-N 3.46Å; T288-R336 PolarHBondContact O-NH2 3.41Å |
| 289 | Y | 35.1 | Very low | 39.8 | Very low | 97 Ų | 97 | 92.9 Ų | 92.9 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -92.4 | 88.9 | 168.8 | -96.3 | -102.7 | 0 | 0 | 0 | 109.1 | V351 | Y289-V351 HydrophobicContact CD2-CG1 3.73Å; Y289-V351 HydrophobicContact CE2-CB 3.91Å; Y289-V351 HydrophobicContact CE2-CG1 3.18Å |
| 290 | G | 29.4 | Very low | 38.9 | Very low | 69 Ų | 69 | 94.5 Ų | 94.5 | 71% | 0.711 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 139.5 | -10.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | T288 S292 | T288-G290 PolarHBondContact O-N 3.46Å; G290-S292 PolarHBondContact O-N 3.17Å; G290-S292 VanDerWaalsContact O-N 3.16Å |
| 291 | A | 29 | Very low | 37.5 | Very low | 91 Ų | 91 | 96.9 Ų | 96.9 | 75% | 0.752 | 57% | 0.571 | S | S | * | * | trans | -87.6 | 84.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S293 | A291-S293 PolarHBondContact O-N 2.66Š| ||
| 292 | S | 29.7 | Very low | 36.5 | Very low | 60 Ų | 60 | 95.3 Ų | 95.3 | 42% | 0.42 | 57% | 0.568 | S | S | . | * | trans | -84.6 | 99.8 | 171.7 | 43.5 | 0 | 0 | 0 | 0 | 110.5 | T135 G290 | T135-S292 WeakPolarHBondContact CG2-O 3.46Å; T135-S292 WeakPolarHBondContact OG1-CB 3.47Å; T135-S292 PolarHBondContact OG1-O 3.48Å; T135-S292 PolarHBondContact OG1-OG 3.5Å; G290-S292 PolarHBondContact O-N 3.17Å; G290-S292 VanDerWaalsContact O-N 3.16Å | ||
| 293 | S | 30.1 | Very low | 35.8 | Very low | 71 Ų | 71 | 88.5 Ų | 88.5 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | S | Bend | trans | 66.6 | 158.8 | 176.3 | 84.1 | 0 | 0 | 0 | 0 | 116.5 | T135 A291 | T135-S293 WeakPolarHBondContact CG2-OG 3.27Å; A291-S293 PolarHBondContact O-N 2.66Å |
| 294 | S | 36.7 | Very low | 35.3 | Very low | 81 Ų | 81 | 83.6 Ų | 83.6 | 57% | 0.566 | 52% | 0.516 | S | S | * | . | trans | 76.1 | 120.6 | 173.1 | 74.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 295 | N | 32.3 | Very low | 35.1 | Very low | 108 Ų | 108 | 90.9 Ų | 90.9 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | cis | -143.5 | 105.5 | 10 | -80.3 | -30 | 0 | 0 | 0 | 108.2 | L297 | N295-L297 HydrophobicContact CB-CD1 4.26Å; N295-L297 PolarHBondContact O-N 2.78Å | ||
| 296 | C | 32.2 | Very low | 35.3 | Very low | 86 Ų | 86 | 92.7 Ų | 92.7 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | trans | -82 | 63.2 | 173.4 | -71.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 297 | L | 38.8 | Very low | 35.7 | Very low | 113 Ų | 113 | 92.1 Ų | 92.1 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -75.6 | 118.4 | 165.4 | -77.4 | 153 | 0 | 0 | 0 | 106.8 | N295 H299 | N295-L297 HydrophobicContact CB-CD1 4.26Å; N295-L297 PolarHBondContact O-N 2.78Å; L297-H299 PolarHBondContact O-N 3.16Å |
| 298 | D | 38 | Very low | 36.4 | Very low | 162 Ų | 162 | 98 Ų | 98 | 87% | 0.866 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 64.4 | 13.2 | 175.6 | -81 | -21 | 0 | 0 | 0 | 120.8 | ||
| 299 | H | 41.2 | Very low | 36.7 | Very low | 84 Ų | 84 | 98.2 Ų | 98.2 | 39% | 0.389 | 52% | 0.524 | S | S | . | . | trans | -83.9 | -10 | -175.9 | -104 | -90 | 0 | 0 | 0 | 116.9 | L297 L301 S302 I303 | L297-H299 PolarHBondContact O-N 3.16Å; H299-L301 VanDerWaalsContact C-N 3.32Å; H299-L301 PolarHBondContact O-N 3.31Å; H299-S302 PolarHBondContact O-N 3.39Å; H299-I303 HydrophobicContact CB-CD1 3.79Å; H299-I303 HydrophobicContact CB-CG1 4.13Å; H299-I303 WeakPolarHBondContact O-CB 3.46Å; H299-I303 VanDerWaalsContact O-CG1 3.26Å; H299-I303 WeakPolarHBondContact O-CG1 3.49Å; H299-I303 PolarHBondContact O-N 3.03Å | ||
| 300 | R | 35.1 | Very low | 37.4 | Very low | 122 Ų | 122 | 94.4 Ų | 94.4 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -33.9 | -174 | -148.7 | 174.3 | -178.2 | -174.8 | -1.9 | 112.9 | W324 | R300-W324 HydrophobicContact CB-CH2 4.32Å; R300-W324 HydrophobicContact CB-CZ2 4.41Å; R300-W324 HydrophobicContact CG-CH2 3.9Å; R300-W324 HydrophobicContact CG-CZ2 4Å; R300-W324 HydrophobicContact CG-CZ3 4.18Å |
| 301 | L | 34.5 | Very low | 38.3 | Very low | 134 Ų | 134 | 95.7 Ų | 95.7 | 70% | 0.702 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -79.2 | -26.2 | 173.4 | -81.9 | 156.2 | 0 | 0 | 0 | 113.2 | H299 R305 | H299-L301 VanDerWaalsContact C-N 3.32Å; H299-L301 PolarHBondContact O-N 3.31Å; L301-R305 WeakPolarHBondContact O-CG 3.32Å |
| 302 | S | 36.4 | Very low | 39.3 | Very low | 40 Ų | 40 | 94.8 Ų | 94.8 | 28% | 0.28 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -83.8 | -40.2 | -177.8 | -163.8 | 0 | 0 | 0 | 0 | 112.1 | H299 R305 | H299-S302 PolarHBondContact O-N 3.39Å; S302-R305 PolarHBondContact O-N 2.84Å |
| 303 | I | 37.7 | Very low | 40.3 | Very low | 31 Ų | 31 | 93.8 Ų | 93.8 | 16% | 0.159 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 177.7 | -64.7 | 167.1 | 0 | 0 | 0 | 110.9 | H299 R305 R306 N307 I310 | H299-I303 HydrophobicContact CB-CD1 3.79Å; H299-I303 HydrophobicContact CB-CG1 4.13Å; H299-I303 WeakPolarHBondContact O-CB 3.46Å; H299-I303 VanDerWaalsContact O-CG1 3.26Å; H299-I303 WeakPolarHBondContact O-CG1 3.49Å; H299-I303 PolarHBondContact O-N 3.03Å; I303-R305 PolarHBondContact O-N 3.16Å; I303-R305 VanDerWaalsContact O-N 3.17Å; I303-R306 PolarHBondContact O-N 3.2Å; I303-N307 PolarHBondContact O-N 3.33Å; I303-I310 HydrophobicContact CG2-CG2 3.69Å |
| 304 | G | 32.5 | Very low | 41.2 | Very low | 23 Ų | 23 | 91.8 Ų | 91.8 | 24% | 0.237 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.7 | -13.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 305 | R | 38.1 | Very low | 41.9 | Very low | 210 Ų | 210 | 94.4 Ų | 94.4 | 79% | 0.792 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -90.4 | -18.8 | 175.8 | -78.6 | 177.6 | 178.4 | 166.5 | 0.8 | 113.6 | L301 S302 I303 | L301-R305 WeakPolarHBondContact O-CG 3.32Å; S302-R305 PolarHBondContact O-N 2.84Å; I303-R305 PolarHBondContact O-N 3.16Å; I303-R305 VanDerWaalsContact O-N 3.17Å |
| 306 | R | 38.6 | Very low | 42.7 | Very low | 129 Ų | 129 | 95.3 Ų | 95.3 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -104.2 | -20.9 | -173.7 | -71.9 | -172.1 | 170.6 | 134.4 | -2.3 | 115.3 | E281 I303 | E281-R306 HydrophobicContact CG-CB 4.04Å; E281-R306 WeakPolarHBondContact OE1-CB 3.48Å; E281-R306 VanDerWaalsContact OE1-CD 3.25Å; E281-R306 WeakPolarHBondContact OE1-CD 3.47Å; I303-R306 PolarHBondContact O-N 3.2Å |
| 307 | N | 48.1 | Very low | 43.7 | Very low | 48 Ų | 48 | 92.3 Ų | 92.3 | 26% | 0.257 | 45% | 0.451 | S | S | . | . | trans | -139.9 | 119.2 | -179.8 | -158 | -59.8 | 0 | 0 | 0 | 114 | E281 I303 N309 I310 K311 | E281-N307 WeakPolarHBondContact OE2-CB 3.46Å; E281-N307 PolarHBondContact OE2-ND2 2.92Å; I303-N307 PolarHBondContact O-N 3.33Å; N307-N309 PolarHBondContact O-N 3.08Å; N307-N309 PolarHBondContact OD1-N 3.2Å; N307-I310 HydrophobicContact CB-CB 3.95Å; N307-I310 HydrophobicContact CB-CD1 3.69Å; N307-I310 HydrophobicContact CB-CG1 3.83Å; N307-I310 PolarHBondContact OD1-N 3.42Å; N307-K311 WeakPolarHBondContact O-CB 3.21Å; N307-K311 PolarHBondContact O-N 3.32Å | ||
| 308 | R | 51.6 | Low | 44.1 | Very low | 208 Ų | 208 | 91.1 Ų | 91.1 | 79% | 0.785 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.2 | -36.5 | -179.4 | -166.2 | 177.2 | -178.6 | -175.1 | -0.7 | 112.3 | K311 T312 | R308-K311 PolarHBondContact O-N 2.88Å; R308-T312 WeakPolarHBondContact O-CG2 3.32Å; R308-T312 PolarHBondContact O-N 3.39Å; R308-T312 PolarHBondContact O-OG1 2.92Å |
| 309 | N | 45.1 | Very low | 44.5 | Very low | 96 Ų | 96 | 92.4 Ų | 92.4 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -75.7 | -34.7 | -177.4 | -65.1 | -14.1 | 0 | 0 | 0 | 112.1 | N307 T312 S313 L335 | N307-N309 PolarHBondContact O-N 3.08Å; N307-N309 PolarHBondContact OD1-N 3.2Å; N309-T312 WeakPolarHBondContact CA-OG1 3.46Å; N309-T312 PolarHBondContact O-OG1 3.24Å; N309-S313 VanDerWaalsContact O-CB 3.3Å; N309-S313 WeakPolarHBondContact O-CB 3.36Å; N309-S313 PolarHBondContact O-N 3.4Å; N309-S313 PolarHBondContact O-OG 3.41Å; N309-L335 HydrophobicContact CB-CD2 3.97Å |
| 310 | I | 50.9 | Low | 44.6 | Very low | 16 Ų | 16 | 97.1 Ų | 97.1 | 8% | 0.082 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 171.3 | -60.7 | 174.6 | 0 | 0 | 0 | 109.6 | I303 N307 S313 L314 L328 L332 L335 | I303-I310 HydrophobicContact CG2-CG2 3.69Å; N307-I310 HydrophobicContact CB-CB 3.95Å; N307-I310 HydrophobicContact CB-CD1 3.69Å; N307-I310 HydrophobicContact CB-CG1 3.83Å; N307-I310 PolarHBondContact OD1-N 3.42Å; I310-S313 PolarHBondContact O-N 3.38Å; I310-L314 HydrophobicContact CG2-CD1 3.59Å; I310-L314 HydrophobicContact CG2-CG 4.07Å; I310-L314 VanDerWaalsContact O-CB 3.27Å; I310-L314 WeakPolarHBondContact O-CB 3.38Å; I310-L314 VanDerWaalsContact O-CG 3.26Å; I310-L314 WeakPolarHBondContact O-CG 3.15Å; I310-L314 PolarHBondContact O-N 3.33Å; I310-L328 HydrophobicContact CG2-CD1 4.41Å; I310-L332 HydrophobicContact CD1-CD2 4.24Å; I310-L335 HydrophobicContact CD1-CD1 4.33Å; I310-L335 HydrophobicContact CG1-CD1 3.43Å; I310-L335 VanDerWaalsContact CG1-CD1 3.43Å |
| 311 | K | 47.4 | Very low | 45.2 | Very low | 96 Ų | 96 | 93.9 Ų | 93.9 | 42% | 0.417 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 176 | -176.1 | -178 | 179.6 | 178.1 | 0 | 111.9 | N307 R308 L314 M315 | N307-K311 WeakPolarHBondContact O-CB 3.21Å; N307-K311 PolarHBondContact O-N 3.32Å; R308-K311 PolarHBondContact O-N 2.88Å; K311-L314 PolarHBondContact O-N 2.89Å; K311-M315 HydrophobicContact CG-CE 4.38Å; K311-M315 HydrophobicContact CG-CG 4.46Å; K311-M315 HydrophobicContact CG-SD 4.18Å; K311-M315 VanDerWaalsContact O-CB 3.32Å; K311-M315 WeakPolarHBondContact O-CB 3.46Å; K311-M315 VanDerWaalsContact O-CG 3.24Å; K311-M315 WeakPolarHBondContact O-CG 3.37Å; K311-M315 PolarHBondContact O-N 3.3Å |
| 312 | T | 50.4 | Low | 46 | Very low | 72 Ų | 72 | 92.9 Ų | 92.9 | 44% | 0.442 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 178 | 49.5 | 0 | 0 | 0 | 0 | 111.1 | R308 N309 L314 M315 V316 | R308-T312 WeakPolarHBondContact O-CG2 3.32Å; R308-T312 PolarHBondContact O-N 3.39Å; R308-T312 PolarHBondContact O-OG1 2.92Å; N309-T312 WeakPolarHBondContact CA-OG1 3.46Å; N309-T312 PolarHBondContact O-OG1 3.24Å; T312-L314 PolarHBondContact O-N 3.32Å; T312-M315 PolarHBondContact O-N 2.9Å; T312-M315 VanDerWaalsContact O-N 3.11Å; T312-V316 WeakPolarHBondContact O-CG2 3.38Å; T312-V316 PolarHBondContact O-N 3.47Å; T312-V316 VanDerWaalsContact O-N 3.15Å |
| 313 | S | 50 | Low | 46.6 | Very low | 40 Ų | 40 | 96 Ų | 96 | 28% | 0.28 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -38.2 | -179.7 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | N309 I310 M315 V316 | N309-S313 VanDerWaalsContact O-CB 3.3Å; N309-S313 WeakPolarHBondContact O-CB 3.36Å; N309-S313 PolarHBondContact O-N 3.4Å; N309-S313 PolarHBondContact O-OG 3.41Å; I310-S313 PolarHBondContact O-N 3.38Å; S313-M315 VanDerWaalsContact C-N 3.34Å; S313-V316 PolarHBondContact O-N 3.4Å |
| 314 | L | 50.1 | Low | 47.3 | Very low | 29 Ų | 29 | 96 Ų | 96 | 15% | 0.152 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -75.4 | -19.5 | 173.8 | -70.2 | 175.9 | 0 | 0 | 0 | 113.4 | I310 K311 T312 T317 W324 L328 | I310-L314 HydrophobicContact CG2-CD1 3.59Å; I310-L314 HydrophobicContact CG2-CG 4.07Å; I310-L314 VanDerWaalsContact O-CB 3.27Å; I310-L314 WeakPolarHBondContact O-CB 3.38Å; I310-L314 VanDerWaalsContact O-CG 3.26Å; I310-L314 WeakPolarHBondContact O-CG 3.15Å; I310-L314 PolarHBondContact O-N 3.33Å; K311-L314 PolarHBondContact O-N 2.89Å; T312-L314 PolarHBondContact O-N 3.32Å; L314-T317 VanDerWaalsContact C-OG1 3.28Å; L314-T317 WeakPolarHBondContact CA-OG1 3.2Å; L314-T317 PolarHBondContact O-OG1 3.24Å; L314-W324 HydrophobicContact CD2-CE3 4.16Å; L314-L328 HydrophobicContact CD1-CD1 4.15Å; L314-L328 HydrophobicContact CD2-CB 4.33Å; L314-L328 HydrophobicContact CD2-CD1 4.1Å |
| 315 | M | 50.8 | Low | 48.1 | Very low | 136 Ų | 136 | 99 Ų | 99 | 67% | 0.67 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -80 | -20.4 | 172.7 | -80.5 | -170.7 | 159.8 | 0 | 0 | 112.8 | K311 T312 S313 T317 | K311-M315 HydrophobicContact CG-CE 4.38Å; K311-M315 HydrophobicContact CG-CG 4.46Å; K311-M315 HydrophobicContact CG-SD 4.18Å; K311-M315 VanDerWaalsContact O-CB 3.32Å; K311-M315 WeakPolarHBondContact O-CB 3.46Å; K311-M315 VanDerWaalsContact O-CG 3.24Å; K311-M315 WeakPolarHBondContact O-CG 3.37Å; K311-M315 PolarHBondContact O-N 3.3Å; T312-M315 PolarHBondContact O-N 2.9Å; T312-M315 VanDerWaalsContact O-N 3.11Å; S313-M315 VanDerWaalsContact C-N 3.34Å; M315-T317 VanDerWaalsContact C-N 3.31Å |
| 316 | V | 49.9 | Very low | 48.5 | Very low | 126 Ų | 126 | 91.1 Ų | 91.1 | 76% | 0.764 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -75.6 | -22.5 | 171.9 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | T312 S313 | T312-V316 WeakPolarHBondContact O-CG2 3.38Å; T312-V316 PolarHBondContact O-N 3.47Å; T312-V316 VanDerWaalsContact O-N 3.15Å; S313-V316 PolarHBondContact O-N 3.4Å |
| 317 | T | 52.8 | Low | 48.8 | Very low | 24 Ų | 24 | 85.9 Ų | 85.9 | 15% | 0.147 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -70.3 | 134.3 | 168.8 | 22.5 | 0 | 0 | 0 | 0 | 112 | L314 M315 Q319 A327 | L314-T317 VanDerWaalsContact C-OG1 3.28Å; L314-T317 WeakPolarHBondContact CA-OG1 3.2Å; L314-T317 PolarHBondContact O-OG1 3.24Å; M315-T317 VanDerWaalsContact C-N 3.31Å; T317-Q319 PolarHBondContact O-N 2.97Å; T317-A327 HydrophobicContact CG2-CB 3.3Å |
| 318 | P | 46.4 | Very low | 49 | Very low | 87 Ų | 87 | 84.4 Ų | 84.4 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | trans | -52.4 | 132.4 | 177.4 | -23.6 | 31.9 | 0 | 0 | 0 | 111.6 | E320 D321 | P318-E320 PolarHBondContact O-N 3.04Å; P318-D321 PolarHBondContact O-N 2.99Å; P318-D321 VanDerWaalsContact O-N 3.08Å | ||
| 319 | Q | 46.5 | Very low | 48.8 | Very low | 190 Ų | 190 | 77.4 Ų | 77.4 | 89% | 0.888 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21.9 | -175.3 | -73.4 | -171.5 | -2.8 | 0 | 0 | 113.6 | T317 | T317-Q319 PolarHBondContact O-N 2.97Š|
| 320 | E | 43.7 | Very low | 48.8 | Very low | 182 Ų | 182 | 77.3 Ų | 77.3 | 85% | 0.85 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -1 | -175.9 | -61.5 | -174.9 | 171 | 0 | 0 | 113.9 | P318 P322 | P318-E320 PolarHBondContact O-N 3.04Å; E320-P322 WeakPolarHBondContact O-CD 3.44Å |
| 321 | D | 46.6 | Very low | 48.7 | Very low | 55 Ų | 55 | 77.6 Ų | 77.6 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | trans | -80.3 | 111.1 | -175.7 | -166 | -2.2 | 0 | 0 | 0 | 111.9 | P318 K323 W324 | P318-D321 PolarHBondContact O-N 2.99Å; P318-D321 VanDerWaalsContact O-N 3.08Å; D321-K323 PolarHBondContact O-N 3.09Å; D321-K323 VanDerWaalsContact O-N 3.11Å; D321-K323 WeakPolarHBondContact OD1-CB 3.33Å; D321-K323 WeakPolarHBondContact OD1-CG 3.23Å; D321-K323 PolarHBondContact OD1-N 3.38Å; D321-W324 PolarHBondContact O-N 2.85Å | ||
| 322 | P | 51.3 | Low | 48.8 | Very low | 113 Ų | 113 | 76.4 Ų | 76.4 | 73% | 0.734 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -13.2 | 172.2 | 28.2 | -35.3 | 0 | 0 | 0 | 112.3 | E320 | E320-P322 WeakPolarHBondContact O-CD 3.44Š|
| 323 | K | 50.8 | Low | 48.7 | Very low | 106 Ų | 106 | 76.2 Ų | 76.2 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 11.7 | 177.7 | -54.8 | -178.7 | 180 | -174.6 | 0 | 114.6 | D321 V325 G326 A327 | D321-K323 PolarHBondContact O-N 3.09Å; D321-K323 VanDerWaalsContact O-N 3.11Å; D321-K323 WeakPolarHBondContact OD1-CB 3.33Å; D321-K323 WeakPolarHBondContact OD1-CG 3.23Å; D321-K323 PolarHBondContact OD1-N 3.38Å; K323-V325 PolarHBondContact O-N 3.11Å; K323-G326 WeakPolarHBondContact O-CA 3.5Å; K323-G326 PolarHBondContact O-N 3.39Å; K323-A327 PolarHBondContact O-N 3.31Å |
| 324 | W | 51.5 | Low | 48.5 | Very low | 31 Ų | 31 | 76 Ų | 76 | 12% | 0.117 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -53.6 | -24.2 | 177.4 | 76.1 | -86 | 0 | 0 | 0 | 113.9 | R300 L314 D321 G326 A327 L328 | R300-W324 HydrophobicContact CB-CH2 4.32Å; R300-W324 HydrophobicContact CB-CZ2 4.41Å; R300-W324 HydrophobicContact CG-CH2 3.9Å; R300-W324 HydrophobicContact CG-CZ2 4Å; R300-W324 HydrophobicContact CG-CZ3 4.18Å; L314-W324 HydrophobicContact CD2-CE3 4.16Å; D321-W324 PolarHBondContact O-N 2.85Å; W324-G326 VanDerWaalsContact C-N 3.32Å; W324-A327 CarbonylContact O-C 3.54Å; W324-A327 WeakPolarHBondContact O-CB 3.11Å; W324-A327 PolarHBondContact O-N 3.26Å; W324-L328 HydrophobicContact CE3-CB 4.34Å; W324-L328 HydrophobicContact CZ3-CB 4.31Å; W324-L328 HydrophobicContact CZ3-CD2 4.01Å; W324-L328 PolarHBondContact O-N 3.02Å |
| 325 | V | 49.1 | Very low | 48.5 | Very low | 84 Ų | 84 | 76.6 Ų | 76.6 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.2 | -36.7 | 174 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | K323 L328 A329 | K323-V325 PolarHBondContact O-N 3.11Å; V325-L328 WeakPolarHBondContact O-CB 3.01Å; V325-L328 PolarHBondContact O-N 3.24Å; V325-A329 PolarHBondContact O-N 3.18Å |
| 326 | G | 46.1 | Very low | 48.2 | Very low | 45 Ų | 45 | 75 Ų | 75 | 46% | 0.464 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K323 W324 A329 I330 | K323-G326 WeakPolarHBondContact O-CA 3.5Å; K323-G326 PolarHBondContact O-N 3.39Å; W324-G326 VanDerWaalsContact C-N 3.32Å; G326-A329 PolarHBondContact O-N 3.47Å; G326-I330 WeakPolarHBondContact O-CG1 3.4Å; G326-I330 PolarHBondContact O-N 3.31Å |
| 327 | A | 46.1 | Very low | 47.8 | Very low | 19 Ų | 19 | 70.5 Ų | 70.5 | 16% | 0.157 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.2 | -35.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T317 K323 W324 A329 I330 V331 | T317-A327 HydrophobicContact CG2-CB 3.3Å; K323-A327 PolarHBondContact O-N 3.31Å; W324-A327 CarbonylContact O-C 3.54Å; W324-A327 WeakPolarHBondContact O-CB 3.11Å; W324-A327 PolarHBondContact O-N 3.26Å; A327-A329 VanDerWaalsContact C-N 3.31Å; A327-A329 PolarHBondContact O-N 3.28Å; A327-I330 CarbonylContact O-C 3.59Å; A327-I330 PolarHBondContact O-N 3.33Å; A327-I330 VanDerWaalsContact O-N 3.16Å; A327-V331 WeakPolarHBondContact O-CB 3.05Å; A327-V331 WeakPolarHBondContact O-CG2 3.23Å; A327-V331 PolarHBondContact O-N 3.34Å |
| 328 | L | 51.1 | Low | 47.5 | Very low | 18 Ų | 18 | 73.9 Ų | 73.9 | 9% | 0.094 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 174.9 | -179.3 | 70.5 | 0 | 0 | 0 | 111.1 | I310 L314 W324 V325 I330 V331 L332 | I310-L328 HydrophobicContact CG2-CD1 4.41Å; L314-L328 HydrophobicContact CD1-CD1 4.15Å; L314-L328 HydrophobicContact CD2-CB 4.33Å; L314-L328 HydrophobicContact CD2-CD1 4.1Å; W324-L328 HydrophobicContact CE3-CB 4.34Å; W324-L328 HydrophobicContact CZ3-CB 4.31Å; W324-L328 HydrophobicContact CZ3-CD2 4.01Å; W324-L328 PolarHBondContact O-N 3.02Å; V325-L328 WeakPolarHBondContact O-CB 3.01Å; V325-L328 PolarHBondContact O-N 3.24Å; L328-I330 VanDerWaalsContact C-N 3.32Å; L328-I330 PolarHBondContact O-N 3.26Å; L328-V331 PolarHBondContact O-N 3.16Å; L328-L332 HydrophobicContact CD1-CD1 4.19Å; L328-L332 HydrophobicContact CD1-CG 4.18Å; L328-L332 HydrophobicContact CD2-CD1 4.44Å; L328-L332 HydrophobicContact CG-CD1 3.9Å; L328-L332 HydrophobicContact CG-CG 4.28Å; L328-L332 VanDerWaalsContact O-CB 3.32Å; L328-L332 WeakPolarHBondContact O-CB 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 3.37Å |
| 329 | A | 47.9 | Very low | 47.7 | Very low | 60 Ų | 60 | 71.2 Ų | 71.2 | 50% | 0.496 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V325 G326 A327 L333 | V325-A329 PolarHBondContact O-N 3.18Å; G326-A329 PolarHBondContact O-N 3.47Å; A327-A329 VanDerWaalsContact C-N 3.31Å; A327-A329 PolarHBondContact O-N 3.28Å; A329-L333 WeakPolarHBondContact O-CB 3.48Å; A329-L333 PolarHBondContact O-N 3.26Å |
| 330 | I | 46.1 | Very low | 47.9 | Very low | 95 Ų | 95 | 67 Ų | 67 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 177.2 | -62.9 | 169.3 | 0 | 0 | 0 | 111.4 | G326 A327 L328 L333 G334 F362 | G326-I330 WeakPolarHBondContact O-CG1 3.4Å; G326-I330 PolarHBondContact O-N 3.31Å; A327-I330 CarbonylContact O-C 3.59Å; A327-I330 PolarHBondContact O-N 3.33Å; A327-I330 VanDerWaalsContact O-N 3.16Å; L328-I330 VanDerWaalsContact C-N 3.32Å; L328-I330 PolarHBondContact O-N 3.26Å; I330-L333 WeakPolarHBondContact O-CB 3.34Å; I330-L333 PolarHBondContact O-N 3.06Å; I330-G334 PolarHBondContact O-N 3.17Å; I330-F362 HydrophobicContact CG1-CZ 4.43Å |
| 331 | V | 48.2 | Very low | 48 | Very low | 22 Ų | 22 | 61.5 Ų | 61.5 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64 | -46 | 178 | 165.6 | 0 | 0 | 0 | 0 | 110.7 | A327 L328 L333 G334 L335 | A327-V331 WeakPolarHBondContact O-CB 3.05Å; A327-V331 WeakPolarHBondContact O-CG2 3.23Å; A327-V331 PolarHBondContact O-N 3.34Å; L328-V331 PolarHBondContact O-N 3.16Å; V331-L333 VanDerWaalsContact C-N 3.28Å; V331-L333 PolarHBondContact O-N 2.81Å; V331-G334 PolarHBondContact O-N 2.98Å; V331-L335 HydrophobicContact CG1-CD1 3.83Å; V331-L335 HydrophobicContact CG1-CG 4.42Å; V331-L335 WeakPolarHBondContact O-CB 3.3Å; V331-L335 WeakPolarHBondContact O-CG 3.04Å; V331-L335 PolarHBondContact O-N 3.36Å |
| 332 | L | 49.2 | Very low | 47.9 | Very low | 71 Ų | 71 | 66.3 Ų | 66.3 | 37% | 0.372 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 176.1 | -71 | 173.8 | 0 | 0 | 0 | 111.6 | I310 L328 R336 | I310-L332 HydrophobicContact CD1-CD2 4.24Å; L328-L332 HydrophobicContact CD1-CD1 4.19Å; L328-L332 HydrophobicContact CD1-CG 4.18Å; L328-L332 HydrophobicContact CD2-CD1 4.44Å; L328-L332 HydrophobicContact CG-CD1 3.9Å; L328-L332 HydrophobicContact CG-CG 4.28Å; L328-L332 VanDerWaalsContact O-CB 3.32Å; L328-L332 WeakPolarHBondContact O-CB 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.28Å; L328-L332 PolarHBondContact O-N 3.37Å; L332-R336 WeakPolarHBondContact O-CB 3.31Å; L332-R336 WeakPolarHBondContact O-CG 3.12Å; L332-R336 PolarHBondContact O-N 3.27Å |
| 333 | L | 48.2 | Very low | 47.9 | Very low | 67 Ų | 67 | 65.2 Ų | 65.2 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.5 | -44.2 | 175.7 | -165.5 | 71.1 | 0 | 0 | 0 | 111.5 | A329 I330 V331 R336 A337 L358 F362 | A329-L333 WeakPolarHBondContact O-CB 3.48Å; A329-L333 PolarHBondContact O-N 3.26Å; I330-L333 WeakPolarHBondContact O-CB 3.34Å; I330-L333 PolarHBondContact O-N 3.06Å; V331-L333 VanDerWaalsContact C-N 3.28Å; V331-L333 PolarHBondContact O-N 2.81Å; L333-R336 PolarHBondContact O-N 3.18Å; L333-A337 WeakPolarHBondContact O-CB 3.48Å; L333-A337 PolarHBondContact O-N 2.91Å; L333-L358 HydrophobicContact CD1-CD2 3.57Å; L333-L358 HydrophobicContact CD2-CD2 3.45Å; L333-L358 VanDerWaalsContact CD2-CD2 3.45Å; L333-L358 HydrophobicContact CG-CD2 3.25Å; L333-F362 HydrophobicContact CD2-CE2 4.15Å |
| 334 | G | 45 | Very low | 47.9 | Very low | 37 Ų | 37 | 66.9 Ų | 66.9 | 38% | 0.381 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I330 V331 R336 A337 L338 | I330-G334 PolarHBondContact O-N 3.17Å; V331-G334 PolarHBondContact O-N 2.98Å; G334-R336 VanDerWaalsContact C-N 3.3Å; G334-R336 PolarHBondContact O-N 3.15Å; G334-A337 CarbonylContact O-C 3.52Å; G334-A337 PolarHBondContact O-N 2.94Å; G334-L338 WeakPolarHBondContact O-CD1 3.36Å; G334-L338 PolarHBondContact O-N 3.07Å |
| 335 | L | 50.1 | Low | 47.8 | Very low | 40 Ų | 40 | 66.2 Ų | 66.2 | 21% | 0.209 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65 | -30.8 | 174.4 | -71.5 | 169.2 | 0 | 0 | 0 | 112.9 | N309 I310 V331 L338 | N309-L335 HydrophobicContact CB-CD2 3.97Å; I310-L335 HydrophobicContact CD1-CD1 4.33Å; I310-L335 HydrophobicContact CG1-CD1 3.43Å; I310-L335 VanDerWaalsContact CG1-CD1 3.43Å; V331-L335 HydrophobicContact CG1-CD1 3.83Å; V331-L335 HydrophobicContact CG1-CG 4.42Å; V331-L335 WeakPolarHBondContact O-CB 3.3Å; V331-L335 WeakPolarHBondContact O-CG 3.04Å; V331-L335 PolarHBondContact O-N 3.36Å; L335-L338 HydrophobicContact CD2-CD1 3.94Å |
| 336 | R | 44.5 | Very low | 47.9 | Very low | 103 Ų | 103 | 62.7 Ų | 62.7 | 39% | 0.389 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -75.4 | -29.3 | 173.1 | -78.3 | 176.9 | 173.7 | 166.4 | -3.6 | 112.9 | T288 L332 L333 G334 V348 | T288-R336 PolarHBondContact O-NH2 3.41Å; L332-R336 WeakPolarHBondContact O-CB 3.31Å; L332-R336 WeakPolarHBondContact O-CG 3.12Å; L332-R336 PolarHBondContact O-N 3.27Å; L333-R336 PolarHBondContact O-N 3.18Å; G334-R336 VanDerWaalsContact C-N 3.3Å; G334-R336 PolarHBondContact O-N 3.15Å; R336-V348 PolarHBondContact O-N 3.22Å; R336-V348 VanDerWaalsContact O-N 3.16Å |
| 337 | A | 43 | Very low | 47.8 | Very low | 31 Ų | 31 | 61.8 Ų | 61.8 | 26% | 0.256 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -88 | -4.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L333 G334 S339 L346 L358 | L333-A337 WeakPolarHBondContact O-CB 3.48Å; L333-A337 PolarHBondContact O-N 2.91Å; G334-A337 CarbonylContact O-C 3.52Å; G334-A337 PolarHBondContact O-N 2.94Å; A337-S339 PolarHBondContact O-N 3.3Å; A337-L346 WeakPolarHBondContact O-CD2 3.12Å; A337-L358 HydrophobicContact CB-CD1 4.19Å |
| 338 | L | 45.6 | Very low | 47.4 | Very low | 96 Ų | 96 | 61.7 Ų | 61.7 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | trans | -71.9 | 119.8 | 173.9 | -99 | 140.1 | 0 | 0 | 0 | 110 | G334 L335 S347 | G334-L338 WeakPolarHBondContact O-CD1 3.36Å; G334-L338 PolarHBondContact O-N 3.07Å; L335-L338 HydrophobicContact CD2-CD1 3.94Å; L338-S347 PolarHBondContact O-N 3.35Å; L338-S347 PolarHBondContact O-OG 3.46Å | ||
| 339 | S | 50.1 | Low | 47.2 | Very low | 30 Ų | 30 | 63.6 Ų | 63.6 | 21% | 0.21 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 130.5 | 165.5 | 58.7 | 0 | 0 | 0 | 0 | 109.2 | A337 P341 M383 | A337-S339 PolarHBondContact O-N 3.3Å; S339-P341 WeakPolarHBondContact O-CD 3.41Å; S339-M383 WeakPolarHBondContact OG-CE 3.41Å |
| 340 | K | 51.3 | Low | 47.1 | Very low | 101 Ų | 101 | 65 Ų | 65 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 112.8 | 168.8 | -70.2 | -178.3 | 176.2 | -177.1 | 0 | 107.5 | D342 I343 L344 S345 S347 | K340-D342 PolarHBondContact O-N 3.47Å; K340-D342 VanDerWaalsContact O-N 3.12Å; K340-I343 HydrophobicContact CB-CB 4.35Å; K340-I343 HydrophobicContact CB-CD1 4.36Å; K340-I343 HydrophobicContact CB-CG1 4.26Å; K340-I343 HydrophobicContact CD-CD1 3.86Å; K340-I343 PolarHBondContact O-N 3.27Å; K340-L344 PolarHBondContact O-N 3.12Å; K340-S345 PolarHBondContact N-O 3.35Å; K340-S345 VanDerWaalsContact N-O 3.14Å; K340-S347 WeakPolarHBondContact CE-OG 3.32Å |
| 341 | P | 45.2 | Very low | 46.6 | Very low | 68 Ų | 68 | 64 Ų | 64 | 44% | 0.442 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.3 | -176.1 | 21.7 | -31.7 | 0 | 0 | 0 | 112.2 | S339 I343 P386 | S339-P341 WeakPolarHBondContact O-CD 3.41Å; P341-I343 PolarHBondContact O-N 3.38Å; P341-P386 HydrophobicContact CB-CG 3.82Å |
| 342 | D | 44.7 | Very low | 46.1 | Very low | 155 Ų | 155 | 64.5 Ų | 64.5 | 83% | 0.829 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -27.2 | -179.6 | -51.3 | -32.9 | 0 | 0 | 0 | 113.7 | K340 | K340-D342 PolarHBondContact O-N 3.47Å; K340-D342 VanDerWaalsContact O-N 3.12Å |
| 343 | I | 53.1 | Low | 45.5 | Very low | 90 Ų | 90 | 72.2 Ų | 72.2 | 46% | 0.462 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -7.3 | -173.3 | -46 | 177.8 | 0 | 0 | 0 | 111 | K340 P341 S345 L350 | K340-I343 HydrophobicContact CB-CB 4.35Å; K340-I343 HydrophobicContact CB-CD1 4.36Å; K340-I343 HydrophobicContact CB-CG1 4.26Å; K340-I343 HydrophobicContact CD-CD1 3.86Å; K340-I343 PolarHBondContact O-N 3.27Å; P341-I343 PolarHBondContact O-N 3.38Å; I343-S345 WeakPolarHBondContact CG2-OG 3.42Å; I343-S345 PolarHBondContact O-N 3.46Å; I343-L350 HydrophobicContact CD1-CD1 4.17Å; I343-L350 HydrophobicContact CG2-CD1 4.13Å; I343-L350 HydrophobicContact CG2-CD2 4.46Å |
| 344 | L | 49.7 | Very low | 45 | Very low | 141 Ų | 141 | 75.7 Ų | 75.7 | 74% | 0.738 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 25.6 | -175.1 | -62.1 | 174.7 | 0 | 0 | 0 | 113.3 | K340 H380 | K340-L344 PolarHBondContact O-N 3.12Å; L344-H380 PolarHBondContact O-CE1 3.03Å; L344-H380 VanDerWaalsContact O-CE1 3.26Å |
| 345 | S | 48.6 | Very low | 44.5 | Very low | 17 Ų | 17 | 76.2 Ų | 76.2 | 12% | 0.119 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.4 | -176.8 | 72.3 | 0 | 0 | 0 | 0 | 110.6 | K340 I343 L350 | K340-S345 PolarHBondContact N-O 3.35Å; K340-S345 VanDerWaalsContact N-O 3.14Å; I343-S345 WeakPolarHBondContact CG2-OG 3.42Å; I343-S345 PolarHBondContact O-N 3.46Å; S345-L350 WeakPolarHBondContact OG-CD1 3.19Å; S345-L350 WeakPolarHBondContact OG-CG 3.44Å |
| 346 | L | 51.5 | Low | 44 | Very low | 10 Ų | 10 | 77.9 Ų | 77.9 | 5% | 0.052 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 143.7 | 171.3 | -68.4 | 135.4 | 0 | 0 | 0 | 109.8 | A337 V348 E349 L350 T376 | A337-L346 WeakPolarHBondContact O-CD2 3.12Å; L346-V348 HydrophobicContact CB-CG1 3.95Å; L346-V348 PolarHBondContact O-N 3.32Å; L346-V348 VanDerWaalsContact O-N 3.13Å; L346-E349 HydrophobicContact CB-CB 3.89Å; L346-E349 PolarHBondContact N-OE2 3.24Å; L346-E349 WeakPolarHBondContact O-CB 3.25Å; L346-E349 PolarHBondContact O-N 2.74Å; L346-L350 PolarHBondContact O-N 3Å; L346-L350 VanDerWaalsContact O-N 3.1Å; L346-T376 HydrophobicContact CD1-CG2 4.02Å |
| 347 | S | 44.9 | Very low | 43.6 | Very low | 27 Ų | 27 | 80 Ų | 80 | 19% | 0.189 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.1 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | L338 K340 V351 | L338-S347 PolarHBondContact O-N 3.35Å; L338-S347 PolarHBondContact O-OG 3.46Å; K340-S347 WeakPolarHBondContact CE-OG 3.32Å; S347-V351 WeakPolarHBondContact O-CG2 3.5Å |
| 348 | V | 38.2 | Very low | 43.2 | Very low | 17 Ų | 17 | 82 Ų | 82 | 10% | 0.103 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -41.1 | 172.3 | 74.2 | 0 | 0 | 0 | 0 | 112.8 | R336 L346 L350 V351 S352 V356 | R336-V348 PolarHBondContact O-N 3.22Å; R336-V348 VanDerWaalsContact O-N 3.16Å; L346-V348 HydrophobicContact CB-CG1 3.95Å; L346-V348 PolarHBondContact O-N 3.32Å; L346-V348 VanDerWaalsContact O-N 3.13Å; V348-L350 VanDerWaalsContact C-N 3.32Å; V348-L350 PolarHBondContact O-N 3.45Å; V348-V351 PolarHBondContact O-N 2.92Å; V348-S352 PolarHBondContact O-N 3.01Å; V348-S352 PolarHBondContact O-OG 3.24Å; V348-V356 HydrophobicContact CG1-CB 4.22Å; V348-V356 HydrophobicContact CG2-CB 3.59Å; V348-V356 HydrophobicContact CG2-CG1 4.22Å; V348-V356 HydrophobicContact CG2-CG2 3.47Å; V348-V356 VanDerWaalsContact CG2-CG2 3.47Å |
| 349 | E | 45.4 | Very low | 42.5 | Very low | 57 Ų | 57 | 82.4 Ų | 82.4 | 27% | 0.266 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.2 | -33.8 | -177.4 | -168 | 176.1 | -157.7 | 0 | 0 | 112.5 | L346 V351 R353 | L346-E349 HydrophobicContact CB-CB 3.89Å; L346-E349 PolarHBondContact N-OE2 3.24Å; L346-E349 WeakPolarHBondContact O-CB 3.25Å; L346-E349 PolarHBondContact O-N 2.74Å; E349-V351 PolarHBondContact O-N 3.42Å; E349-R353 WeakPolarHBondContact O-CA 3.27Å; E349-R353 PolarHBondContact O-N 2.77Å; E349-R353 VanDerWaalsContact O-N 3.09Å |
| 350 | L | 46.7 | Very low | 41.7 | Very low | 91 Ų | 91 | 89.1 Ų | 89.1 | 48% | 0.476 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.2 | -30 | 170.5 | -91 | 154.3 | 0 | 0 | 0 | 113.5 | I343 S345 L346 V348 | I343-L350 HydrophobicContact CD1-CD1 4.17Å; I343-L350 HydrophobicContact CG2-CD1 4.13Å; I343-L350 HydrophobicContact CG2-CD2 4.46Å; S345-L350 WeakPolarHBondContact OG-CD1 3.19Å; S345-L350 WeakPolarHBondContact OG-CG 3.44Å; L346-L350 PolarHBondContact O-N 3Å; L346-L350 VanDerWaalsContact O-N 3.1Å; V348-L350 VanDerWaalsContact C-N 3.32Å; V348-L350 PolarHBondContact O-N 3.45Å |
| 351 | V | 36.3 | Very low | 40.9 | Very low | 73 Ų | 73 | 94.2 Ų | 94.2 | 44% | 0.442 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -101.3 | -41.2 | -173.3 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | Y289 S347 V348 E349 | Y289-V351 HydrophobicContact CD2-CG1 3.73Å; Y289-V351 HydrophobicContact CE2-CB 3.91Å; Y289-V351 HydrophobicContact CE2-CG1 3.18Å; S347-V351 WeakPolarHBondContact O-CG2 3.5Å; V348-V351 PolarHBondContact O-N 2.92Å; E349-V351 PolarHBondContact O-N 3.42Å |
| 352 | S | 36.7 | Very low | 40.4 | Very low | 32 Ų | 32 | 97 Ų | 97 | 22% | 0.224 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -87.8 | -11.1 | -179.6 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | V348 Q354 V356 | V348-S352 PolarHBondContact O-N 3.01Å; V348-S352 PolarHBondContact O-OG 3.24Å; S352-Q354 PolarHBondContact O-N 3.1Å; S352-Q354 PolarHBondContact OG-O 3.33Å; S352-V356 WeakPolarHBondContact OG-CG2 2.95Å |
| 353 | R | 37.6 | Very low | 39.8 | Very low | 234 Ų | 234 | 94 Ų | 94 | 88% | 0.883 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 49.5 | 17 | -169.2 | -66.1 | -163.3 | 175.4 | -160.8 | 0.4 | 114.1 | E349 | E349-R353 WeakPolarHBondContact O-CA 3.27Å; E349-R353 PolarHBondContact O-N 2.77Å; E349-R353 VanDerWaalsContact O-N 3.09Å |
| 354 | Q | 37 | Very low | 38.9 | Very low | 139 Ų | 139 | 98.5 Ų | 98.5 | 65% | 0.65 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -146.4 | 142.3 | -176.7 | -70.7 | -168.6 | -18 | 0 | 0 | 108.2 | S352 V356 | S352-Q354 PolarHBondContact O-N 3.1Å; S352-Q354 PolarHBondContact OG-O 3.33Å; Q354-V356 PolarHBondContact O-N 3.41Å |
| 355 | P | 34.8 | Very low | 38.4 | Very low | 48 Ų | 48 | 96.1 Ų | 96.1 | 31% | 0.312 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 119 | 174.6 | 27 | -33.7 | 0 | 0 | 0 | 110.1 | A372 T376 | P355-A372 HydrophobicContact CG-CB 3.82Å; P355-T376 WeakPolarHBondContact CB-OG1 3.37Å |
| 356 | V | 39 | Very low | 37.9 | Very low | 76 Ų | 76 | 101.5 Ų | 101.5 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 121.8 | 178.4 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | V348 S352 Q354 | V348-V356 HydrophobicContact CG1-CB 4.22Å; V348-V356 HydrophobicContact CG2-CB 3.59Å; V348-V356 HydrophobicContact CG2-CG1 4.22Å; V348-V356 HydrophobicContact CG2-CG2 3.47Å; V348-V356 VanDerWaalsContact CG2-CG2 3.47Å; S352-V356 WeakPolarHBondContact OG-CG2 2.95Å; Q354-V356 PolarHBondContact O-N 3.41Å |
| 357 | R | 37.4 | Very low | 37.2 | Very low | 147 Ų | 147 | 105.4 Ų | 105.4 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 132.3 | 171.6 | -69.3 | -175.6 | 175 | 167.8 | -3.2 | 109.8 | S359 L370 | R357-S359 PolarHBondContact O-N 2.96Å; R357-L370 PolarHBondContact NH2-O 3.18Å |
| 358 | L | 34.3 | Very low | 37.1 | Very low | 73 Ų | 73 | 110.6 Ų | 110.6 | 38% | 0.382 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 129.3 | 164.1 | -70.7 | 166.1 | 0 | 0 | 0 | 107.8 | L333 A337 E360 | L333-L358 HydrophobicContact CD1-CD2 3.57Å; L333-L358 HydrophobicContact CD2-CD2 3.45Å; L333-L358 VanDerWaalsContact CD2-CD2 3.45Å; L333-L358 HydrophobicContact CG-CD2 3.25Å; A337-L358 HydrophobicContact CB-CD1 4.19Å; L358-E360 PolarHBondContact O-N 3.06Å |
| 359 | S | 29.6 | Very low | 37.7 | Very low | 105 Ų | 105 | 115.6 Ų | 115.6 | 73% | 0.734 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 138.3 | 171.3 | -84.9 | 0 | 0 | 0 | 0 | 110.2 | R357 R361 | R357-S359 PolarHBondContact O-N 2.96Å; S359-R361 PolarHBondContact O-N 2.73Å |
| 360 | E | 33.3 | Very low | 38.2 | Very low | 171 Ų | 171 | 116.5 Ų | 116.5 | 80% | 0.799 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -59.1 | 28.5 | -165.6 | -60.6 | 174.1 | 156.1 | 0 | 0 | 117 | L358 | L358-E360 PolarHBondContact O-N 3.06Š|
| 361 | R | 34.7 | Very low | 38.5 | Very low | 207 Ų | 207 | 115.6 Ų | 115.6 | 78% | 0.781 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -95 | 6.2 | -179.1 | -100.8 | -176.1 | 175.1 | 173.1 | -1.3 | 115 | S359 | S359-R361 PolarHBondContact O-N 2.73Š|
| 362 | F | 35.9 | Very low | 39.1 | Very low | 126 Ų | 126 | 113.8 Ų | 113.8 | 55% | 0.553 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -129.2 | 9.1 | -171.5 | -67 | -74.5 | 0 | 0 | 0 | 115.7 | I330 L333 | I330-F362 HydrophobicContact CG1-CZ 4.43Å; L333-F362 HydrophobicContact CD2-CE2 4.15Å |
| 363 | S | 31.7 | Very low | 40 | Very low | 93 Ų | 93 | 116.1 Ų | 116.1 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | trans | -145.4 | 116.6 | 175.3 | -65 | 0 | 0 | 0 | 0 | 111.7 | S365 | S363-S365 PolarHBondContact O-N 3.22Š| ||
| 364 | D | 34.3 | Very low | 41.1 | Very low | 184 Ų | 184 | 109.4 Ų | 109.4 | 98% | 0.984 | 59% | 0.592 | S | S | * | * | trans | -74 | 24.2 | 176.7 | -74.9 | -34.7 | 0 | 0 | 0 | 113.7 | ||||
| 365 | S | 38.9 | Very low | 41.9 | Very low | 91 Ų | 91 | 106 Ų | 106 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -131.5 | 102 | -171.2 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | S363 | S363-S365 PolarHBondContact O-N 3.22Š|
| 366 | N | 38.5 | Very low | 42.6 | Very low | 130 Ų | 130 | 104.3 Ų | 104.3 | 70% | 0.695 | 56% | 0.564 | S | S | * | * | trans | 22.6 | 112.6 | 161.1 | -158.7 | -1.6 | 0 | 0 | 0 | 118 | N368 | N366-N368 PolarHBondContact O-N 3.4Š| ||
| 367 | P | 37.2 | Very low | 43.7 | Very low | 93 Ų | 93 | 106.1 Ų | 106.1 | 60% | 0.604 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -84.6 | 18.5 | -165.2 | 18.9 | -8 | 0 | 0 | 0 | 117.6 | ||
| 368 | N | 41.3 | Very low | 44.9 | Very low | 136 Ų | 136 | 103.8 Ų | 103.8 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | trans | -115.6 | 12.2 | -156.5 | -85.7 | -15.5 | 0 | 0 | 0 | 120 | N366 | N366-N368 PolarHBondContact O-N 3.4Š| ||
| 369 | T | 50.5 | Low | 45.7 | Very low | 121 Ų | 121 | 102.7 Ų | 102.7 | 74% | 0.742 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -131.1 | -12.8 | -166.6 | 28.1 | 0 | 0 | 0 | 0 | 120.5 | ||
| 370 | L | 56 | Low | 47.1 | Very low | 76 Ų | 76 | 100.9 Ų | 100.9 | 40% | 0.398 | 54% | 0.536 | S | S | . | . | trans | -117.5 | 122.2 | -176.4 | -60.9 | 172.8 | 0 | 0 | 0 | 112.6 | R357 E374 | R357-L370 PolarHBondContact NH2-O 3.18Å; L370-E374 HydrophobicContact CB-CB 4.11Å; L370-E374 HydrophobicContact CD2-CB 4.06Å; L370-E374 WeakPolarHBondContact CD2-OE2 3.34Å | ||
| 371 | P | 53.9 | Low | 48.5 | Very low | 72 Ų | 72 | 102.3 Ų | 102.3 | 47% | 0.468 | 53% | 0.534 | S | S | . | . | trans | -50.6 | 151.6 | 163.8 | -21.6 | 32.1 | 0 | 0 | 0 | 111 | S373 E374 F375 | P371-S373 PolarHBondContact O-N 2.76Å; P371-E374 VanDerWaalsContact CD-OE2 3.23Å; P371-E374 WeakPolarHBondContact CD-OE2 3.4Å; P371-E374 PolarHBondContact O-N 3.29Å; P371-F375 PolarHBondContact O-N 3.03Å; P371-F375 VanDerWaalsContact O-N 3.14Å | ||
| 372 | A | 47.9 | Very low | 49.5 | Very low | 35 Ų | 35 | 96.5 Ų | 96.5 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.5 | -27.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P355 T376 | P355-A372 HydrophobicContact CG-CB 3.82Å; A372-T376 PolarHBondContact O-N 2.94Å; A372-T376 PolarHBondContact O-OG1 3.42Å |
| 373 | S | 56.4 | Low | 49.6 | Very low | 82 Ų | 82 | 92.8 Ų | 92.8 | 57% | 0.573 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.3 | -47.7 | 171 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | P371 F375 T376 E377 | P371-S373 PolarHBondContact O-N 2.76Å; S373-F375 PolarHBondContact O-N 3.5Å; S373-T376 WeakPolarHBondContact O-CB 3.48Å; S373-T376 PolarHBondContact O-N 2.73Å; S373-E377 PolarHBondContact O-N 3.14Å |
| 374 | E | 61.2 | Low | 49.9 | Very low | 93 Ų | 93 | 94.2 Ų | 94.2 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.1 | -32.3 | -179.3 | -73.8 | -172.1 | 158.8 | 0 | 0 | 112.6 | L370 P371 T376 E377 H378 | L370-E374 HydrophobicContact CB-CB 4.11Å; L370-E374 HydrophobicContact CD2-CB 4.06Å; L370-E374 WeakPolarHBondContact CD2-OE2 3.34Å; P371-E374 VanDerWaalsContact CD-OE2 3.23Å; P371-E374 WeakPolarHBondContact CD-OE2 3.4Å; P371-E374 PolarHBondContact O-N 3.29Å; E374-T376 VanDerWaalsContact C-N 3.27Å; E374-T376 PolarHBondContact O-N 2.87Å; E374-E377 PolarHBondContact O-N 3.22Å; E374-H378 WeakPolarHBondContact O-CB 3.49Å; E374-H378 PolarHBondContact O-N 2.93Å |
| 375 | F | 52.9 | Low | 50.3 | Low | 67 Ų | 67 | 94.1 Ų | 94.1 | 29% | 0.294 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 173.3 | 179.9 | -102.7 | 0 | 0 | 0 | 111.8 | P371 S373 H378 L379 | P371-F375 PolarHBondContact O-N 3.03Å; P371-F375 VanDerWaalsContact O-N 3.14Å; S373-F375 PolarHBondContact O-N 3.5Å; F375-H378 PolarHBondContact O-N 3.26Å; F375-L379 HydrophobicContact CD1-CD1 3.98Å; F375-L379 HydrophobicContact CE1-CD1 3.38Å; F375-L379 HydrophobicContact CE1-CG 4.08Å; F375-L379 HydrophobicContact CZ-CD1 3.77Å; F375-L379 HydrophobicContact CZ-CD2 4.43Å; F375-L379 HydrophobicContact CZ-CG 4.11Å; F375-L379 PolarHBondContact O-N 2.99Å |
| 376 | T | 50.5 | Low | 50 | Low | 12 Ų | 12 | 97.9 Ų | 97.9 | 7% | 0.074 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -67.1 | -46.3 | 178.3 | -50.8 | 0 | 0 | 0 | 0 | 110.3 | L346 P355 A372 S373 E374 H378 L379 H380 | L346-T376 HydrophobicContact CD1-CG2 4.02Å; P355-T376 WeakPolarHBondContact CB-OG1 3.37Å; A372-T376 PolarHBondContact O-N 2.94Å; A372-T376 PolarHBondContact O-OG1 3.42Å; S373-T376 WeakPolarHBondContact O-CB 3.48Å; S373-T376 PolarHBondContact O-N 2.73Å; E374-T376 VanDerWaalsContact C-N 3.27Å; E374-T376 PolarHBondContact O-N 2.87Å; T376-H378 VanDerWaalsContact C-N 3.32Å; T376-H378 PolarHBondContact O-N 3.12Å; T376-L379 PolarHBondContact O-N 2.94Å; T376-H380 PolarHBondContact O-CD2 3.05Å; T376-H380 PolarHBondContact O-N 2.84Å |
| 377 | E | 61.7 | Low | 50.6 | Low | 115 Ų | 115 | 96.3 Ų | 96.3 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 172.9 | -73.9 | -164.7 | 171.3 | 0 | 0 | 113 | S373 E374 H380 R381 | S373-E377 PolarHBondContact O-N 3.14Å; E374-E377 PolarHBondContact O-N 3.22Å; E377-H380 PolarHBondContact O-N 3.01Å; E377-R381 WeakPolarHBondContact O-CG 3.49Å; E377-R381 PolarHBondContact O-N 3.11Å |
| 378 | H | 62.8 | Low | 51.3 | Low | 97 Ų | 97 | 96.5 Ų | 96.5 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 177.1 | -174.8 | 77.9 | 0 | 0 | 0 | 111.5 | E374 F375 T376 R381 T382 | E374-H378 WeakPolarHBondContact O-CB 3.49Å; E374-H378 PolarHBondContact O-N 2.93Å; F375-H378 PolarHBondContact O-N 3.26Å; T376-H378 VanDerWaalsContact C-N 3.32Å; T376-H378 PolarHBondContact O-N 3.12Å; H378-R381 PolarHBondContact O-N 3.47Å; H378-T382 PolarHBondContact O-N 3.43Å; H378-T382 PolarHBondContact O-OG1 3.49Å |
| 379 | L | 50.7 | Low | 51.9 | Low | 50 Ų | 50 | 94.3 Ų | 94.3 | 26% | 0.262 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 174.1 | -76.9 | 178.3 | 0 | 0 | 0 | 111.9 | F375 T376 R381 T382 M383 | F375-L379 HydrophobicContact CD1-CD1 3.98Å; F375-L379 HydrophobicContact CE1-CD1 3.38Å; F375-L379 HydrophobicContact CE1-CG 4.08Å; F375-L379 HydrophobicContact CZ-CD1 3.77Å; F375-L379 HydrophobicContact CZ-CD2 4.43Å; F375-L379 HydrophobicContact CZ-CG 4.11Å; F375-L379 PolarHBondContact O-N 2.99Å; T376-L379 PolarHBondContact O-N 2.94Å; L379-R381 PolarHBondContact O-N 3.38Å; L379-T382 WeakPolarHBondContact CA-OG1 3.33Å; L379-T382 PolarHBondContact O-N 3.08Å; L379-T382 PolarHBondContact O-OG1 3.18Å; L379-M383 HydrophobicContact CB-CE 4.26Å; L379-M383 WeakPolarHBondContact O-CE 3.28Å; L379-M383 WeakPolarHBondContact O-CG 3.21Å; L379-M383 PolarHBondContact O-N 3.3Å |
| 380 | H | 59.4 | Low | 52 | Low | 67 Ų | 67 | 92.7 Ų | 92.7 | 31% | 0.31 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -29.5 | 175.5 | -80 | -70.8 | 0 | 0 | 0 | 113.4 | L344 T376 E377 | L344-H380 PolarHBondContact O-CE1 3.03Å; L344-H380 VanDerWaalsContact O-CE1 3.26Å; T376-H380 PolarHBondContact O-CD2 3.05Å; T376-H380 PolarHBondContact O-N 2.84Å; E377-H380 PolarHBondContact O-N 3.01Å |
| 381 | R | 62.1 | Low | 51.7 | Low | 202 Ų | 202 | 93.8 Ų | 93.8 | 76% | 0.762 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -81.7 | -32.9 | 176.7 | -80.7 | -179.1 | 165.9 | 143.6 | -0.8 | 113.9 | E377 H378 L379 | E377-R381 WeakPolarHBondContact O-CG 3.49Å; E377-R381 PolarHBondContact O-N 3.11Å; H378-R381 PolarHBondContact O-N 3.47Å; L379-R381 PolarHBondContact O-N 3.38Å |
| 382 | T | 56.7 | Low | 51.6 | Low | 85 Ų | 85 | 95.2 Ų | 95.2 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -88.8 | -23.8 | -175.9 | 36.2 | 0 | 0 | 0 | 0 | 113.4 | H378 L379 | H378-T382 PolarHBondContact O-N 3.43Å; H378-T382 PolarHBondContact O-OG1 3.49Å; L379-T382 WeakPolarHBondContact CA-OG1 3.33Å; L379-T382 PolarHBondContact O-N 3.08Å; L379-T382 PolarHBondContact O-OG1 3.18Å |
| 383 | M | 38.1 | Very low | 51.8 | Low | 47 Ų | 47 | 99.5 Ų | 99.5 | 23% | 0.232 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -72 | 134.3 | 174.8 | -73.2 | -172.3 | -70.2 | 0 | 0 | 111.1 | S339 L379 K385 | S339-M383 WeakPolarHBondContact OG-CE 3.41Å; L379-M383 HydrophobicContact CB-CE 4.26Å; L379-M383 WeakPolarHBondContact O-CE 3.28Å; L379-M383 WeakPolarHBondContact O-CG 3.21Å; L379-M383 PolarHBondContact O-N 3.3Å; M383-K385 PolarHBondContact O-N 3.13Å |
| 384 | P | 36.3 | Very low | 51.5 | Low | 123 Ų | 123 | 100.8 Ų | 100.8 | 80% | 0.799 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 124.7 | 176 | 23 | -30 | 0 | 0 | 0 | 109.6 | ||
| 385 | K | 43.8 | Very low | 50.7 | Low | 182 Ų | 182 | 101.5 Ų | 101.5 | 79% | 0.791 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 143.3 | 166.6 | -67.2 | -178.4 | -179.1 | 179.8 | 0 | 108.4 | M383 | M383-K385 PolarHBondContact O-N 3.13Š|
| 386 | P | 33.2 | Very low | 50.5 | Low | 171 Ų | 171 | 104.6 Ų | 104.6 | 100% | 1.11 | 53% | 0.532 | S | S | * | . | trans | -57.3 | 0 | 177.7 | 27.1 | -36.5 | 0 | 0 | 0 | 112.8 | P341 | P341-P386 HydrophobicContact CB-CG 3.82Š|
Retrieved 386 of 386 residues in 74.6 ms
(Link to these results)