| 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 | 76 | Confident | 89.3 | Confident | 244 Ų | 244 | 135.8 Ų | 135.8 | 100% | 1.202 | 76% | 0.76 | S | S | * | * | 0 | 132.2 | 0 | -65.8 | -176.5 | -174.7 | 0 | 0 | 108.2 | |||||
| 2 | T | 82.7 | Confident | 89 | Confident | 132 Ų | 132 | 133.4 Ų | 133.4 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -85.3 | 136.3 | -178 | 52 | 0 | 0 | 0 | 0 | 111.5 | A4 | T2-A4 VanDerWaalsContact C-N 3.31Å; T2-A4 PolarHBondContact O-N 3.22Å | ||
| 3 | T | 89 | Confident | 88.8 | Confident | 116 Ų | 116 | 133.9 Ų | 133.9 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | -90.2 | 14.4 | 179.8 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 4 | A | 91.8 | Very high | 88.4 | Confident | 78 Ų | 78 | 129.9 Ų | 129.9 | 65% | 0.645 | 76% | 0.756 | S | S | * | * | trans | -70.9 | -37.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | T2 R6 | T2-A4 VanDerWaalsContact C-N 3.31Å; T2-A4 PolarHBondContact O-N 3.22Å; A4-R6 PolarHBondContact O-N 2.97Å | ||
| 5 | A | 92.8 | Very high | 87.6 | Confident | 97 Ų | 97 | 124.3 Ų | 124.3 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | -76.9 | 117.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 6 | R | 90.1 | Very high | 86.3 | Confident | 190 Ų | 190 | 129.4 Ų | 129.4 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | trans | -119 | 141.8 | 178.7 | -62.7 | -172.6 | 171.9 | 89.3 | -0.7 | 109.9 | A4 | A4-R6 PolarHBondContact O-N 2.97Š| ||
| 7 | P | 93.6 | Very high | 85.4 | Confident | 92 Ų | 92 | 123.6 Ų | 123.6 | 60% | 0.597 | 71% | 0.714 | S | S | * | * | trans | -66 | 153.8 | 169.3 | 30.3 | -34.2 | 0 | 0 | 0 | 110.1 | F9 | P7-F9 HydrophobicContact CG-CD2 4.39Å; P7-F9 HydrophobicContact CG-CE1 4.27Å; P7-F9 HydrophobicContact CG-CE2 3.64Å; P7-F9 HydrophobicContact CG-CZ 3.57Å; P7-F9 PolarHBondContact O-N 3.27Å | ||
| 8 | T | 92.5 | Very high | 84.3 | Confident | 133 Ų | 133 | 129.2 Ų | 129.2 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | trans | -81.6 | 108.5 | 174.1 | 51 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 9 | F | 92.3 | Very high | 83.3 | Confident | 181 Ų | 181 | 123.7 Ų | 123.7 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -87.6 | -41.1 | 176.5 | -67.4 | -75.9 | 0 | 0 | 0 | 112.6 | P7 | P7-F9 HydrophobicContact CG-CD2 4.39Å; P7-F9 HydrophobicContact CG-CE1 4.27Å; P7-F9 HydrophobicContact CG-CE2 3.64Å; P7-F9 HydrophobicContact CG-CZ 3.57Å; P7-F9 PolarHBondContact O-N 3.27Å |
| 10 | E | 90.7 | Very high | 82.6 | Confident | 127 Ų | 127 | 123.3 Ų | 123.3 | 59% | 0.593 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -113.3 | 131.9 | 172.4 | -61.8 | -157.1 | 138.3 | 0 | 0 | 109.4 | R13 | E10-R13 IonicContact OE1-CZ 3.9Å; E10-R13 IonicContact OE1-NH1 3.57Å; E10-R13 IonicContact OE1-NH2 3.65Å; E10-R13 PolarHBondContact OE1-NH2 3.11Å; E10-R13 IonicContact OE2-CZ 3.81Å; E10-R13 IonicContact OE2-NH1 3.75Å; E10-R13 PolarHBondContact OE2-NH1 2.92Å; E10-R13 VanDerWaalsContact OE2-NH1 3.15Å; E10-R13 IonicContact OE2-NH2 3.61Å |
| 11 | P | 91.3 | Very high | 82 | Confident | 104 Ų | 104 | 120 Ų | 120 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | trans | -68.1 | 153 | 170.2 | 30.7 | -34.1 | 0 | 0 | 0 | 109.9 | R13 | P11-R13 PolarHBondContact O-N 3Å; P11-R13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | A | 85.8 | Confident | 81.7 | Confident | 107 Ų | 107 | 113.1 Ų | 113.1 | 88% | 0.884 | 66% | 0.657 | S | S | * | * | trans | -58 | 120.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 13 | R | 85.6 | Confident | 81.1 | Confident | 140 Ų | 140 | 114 Ų | 114 | 53% | 0.528 | 66% | 0.656 | S | S | . | * | trans | -88.3 | 114.7 | 176.9 | -66.8 | -177 | -176.8 | 116.2 | 4.7 | 108.6 | E10 P11 | E10-R13 IonicContact OE1-CZ 3.9Å; E10-R13 IonicContact OE1-NH1 3.57Å; E10-R13 IonicContact OE1-NH2 3.65Å; E10-R13 PolarHBondContact OE1-NH2 3.11Å; E10-R13 IonicContact OE2-CZ 3.81Å; E10-R13 IonicContact OE2-NH1 3.75Å; E10-R13 PolarHBondContact OE2-NH1 2.92Å; E10-R13 VanDerWaalsContact OE2-NH1 3.15Å; E10-R13 IonicContact OE2-NH2 3.61Å; P11-R13 PolarHBondContact O-N 3Å; P11-R13 VanDerWaalsContact O-N 3.15Å | ||
| 14 | G | 83.4 | Confident | 80.4 | Confident | 78 Ų | 78 | 113.6 Ų | 113.6 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 136.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 15 | G | 76.1 | Confident | 79.4 | Confident | 45 Ų | 45 | 116.6 Ų | 116.6 | 46% | 0.464 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 84.9 | 7.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E20 | G15-E20 PolarHBondContact N-OE2 3.03Š|
| 16 | R | 67.9 | Low | 78.7 | Confident | 207 Ų | 207 | 118.3 Ų | 118.3 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | trans | -106.7 | -8.5 | 172.8 | -61 | -152 | -159.4 | -99 | 6.7 | 113.5 | E20 | R16-E20 PolarHBondContact N-OE2 2.92Š| ||
| 17 | G | 69.6 | Low | 78.4 | Confident | 31 Ų | 31 | 112.7 Ų | 112.7 | 32% | 0.32 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -70.9 | 149.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G19 E20 | G17-G19 PolarHBondContact O-N 3.38Å; G17-E20 PolarHBondContact N-OE2 3.22Å; G17-E20 PolarHBondContact O-N 3.45Å |
| 18 | K | 66.8 | Low | 77.9 | Confident | 223 Ų | 223 | 117 Ų | 117 | 97% | 0.97 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 111.1 | 173.3 | -173.3 | 179.6 | 179.9 | -177 | 0 | 108.9 | ||
| 19 | G | 65.7 | Low | 77.8 | Confident | 25 Ų | 25 | 118.6 Ų | 118.6 | 26% | 0.258 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 98 | -5.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G17 | G17-G19 PolarHBondContact O-N 3.38Š|
| 20 | E | 68.1 | Low | 77.7 | Confident | 115 Ų | 115 | 118.8 Ų | 118.8 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -22.7 | -178.5 | -66.9 | -177 | 166.2 | 0 | 0 | 113.9 | G15 R16 G17 | G15-E20 PolarHBondContact N-OE2 3.03Å; R16-E20 PolarHBondContact N-OE2 2.92Å; G17-E20 PolarHBondContact N-OE2 3.22Å; G17-E20 PolarHBondContact O-N 3.45Å |
| 21 | G | 69.6 | Low | 77.8 | Confident | 55 Ų | 55 | 115.3 Ų | 115.3 | 57% | 0.567 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -84.1 | -17.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L23 | G21-L23 PolarHBondContact O-N 3.26Š|
| 22 | D | 69.5 | Low | 78 | Confident | 99 Ų | 99 | 115.2 Ų | 115.2 | 53% | 0.529 | 64% | 0.639 | S | S | . | * | trans | -85.6 | 95.8 | -179.6 | -76.5 | -19.8 | 0 | 0 | 0 | 109.5 | S24 Q25 | D22-S24 PolarHBondContact O-N 2.69Å; D22-Q25 PolarHBondContact O-N 3.39Å | ||
| 23 | L | 71.5 | Confident | 78.4 | Confident | 151 Ų | 151 | 120.2 Ų | 120.2 | 79% | 0.791 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -55.8 | -14.6 | 174.6 | -61.4 | 176.7 | 0 | 0 | 0 | 113.1 | G21 Q25 L26 | G21-L23 PolarHBondContact O-N 3.26Å; L23-Q25 VanDerWaalsContact C-N 3.28Å; L23-Q25 PolarHBondContact O-N 3.03Å; L23-L26 WeakPolarHBondContact O-CB 3.45Å; L23-L26 PolarHBondContact O-N 3.32Å |
| 24 | S | 73.5 | Confident | 78.8 | Confident | 108 Ų | 108 | 118.4 Ų | 118.4 | 76% | 0.755 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -68.4 | -23 | 175.9 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | D22 | D22-S24 PolarHBondContact O-N 2.69Š|
| 25 | Q | 71 | Confident | 79.3 | Confident | 140 Ų | 140 | 120 Ų | 120 | 65% | 0.654 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -93.6 | 1.5 | 177.5 | -62.5 | -163.6 | -5.1 | 0 | 0 | 113.5 | D22 L23 S27 | D22-Q25 PolarHBondContact O-N 3.39Å; L23-Q25 VanDerWaalsContact C-N 3.28Å; L23-Q25 PolarHBondContact O-N 3.03Å; Q25-S27 PolarHBondContact O-N 3.07Å; Q25-S27 VanDerWaalsContact O-N 3.11Å |
| 26 | L | 77.1 | Confident | 80.2 | Confident | 134 Ų | 134 | 123.4 Ų | 123.4 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | trans | -67.4 | 114.6 | -179.8 | -170.8 | 63.5 | 0 | 0 | 0 | 110.2 | L23 | L23-L26 WeakPolarHBondContact O-CB 3.45Å; L23-L26 PolarHBondContact O-N 3.32Å | ||
| 27 | S | 83.8 | Confident | 81.5 | Confident | 71 Ų | 71 | 117.5 Ų | 117.5 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | trans | -60.9 | 138.8 | 176.4 | 67.7 | 0 | 0 | 0 | 0 | 110.7 | Q25 Q29 | Q25-S27 PolarHBondContact O-N 3.07Å; Q25-S27 VanDerWaalsContact O-N 3.11Å; S27-Q29 PolarHBondContact O-N 2.97Å | ||
| 28 | K | 85 | Confident | 82.7 | Confident | 184 Ų | 184 | 124.5 Ų | 124.5 | 80% | 0.8 | 65% | 0.654 | S | S | * | * | trans | -76.5 | 33.9 | 175.6 | -60.1 | -178.3 | -179.1 | 178.6 | 0 | 113.2 | Y30 | K28-Y30 HydrophobicContact CB-CE2 4.45Å; K28-Y30 VanDerWaalsContact O-CD2 3.31Å; K28-Y30 WeakPolarHBondContact O-CD2 3.31Å; K28-Y30 WeakPolarHBondContact O-CE2 3.48Å | ||
| 29 | Q | 90 | Very high | 84.1 | Confident | 165 Ų | 165 | 119.4 Ų | 119.4 | 77% | 0.771 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 122.8 | 175.7 | -68.1 | -177.6 | -11.6 | 0 | 0 | 108.3 | S27 | S27-Q29 PolarHBondContact O-N 2.97Š|
| 30 | Y | 89.5 | Confident | 85.6 | Confident | 186 Ų | 186 | 127 Ų | 127 | 73% | 0.729 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 130.5 | 176 | -64.4 | -79.8 | 0 | 0 | 0 | 109.4 | K28 | K28-Y30 HydrophobicContact CB-CE2 4.45Å; K28-Y30 VanDerWaalsContact O-CD2 3.31Å; K28-Y30 WeakPolarHBondContact O-CD2 3.31Å; K28-Y30 WeakPolarHBondContact O-CE2 3.48Å |
| 31 | S | 92.9 | Very high | 86.9 | Confident | 54 Ų | 54 | 127.9 Ų | 127.9 | 38% | 0.378 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -80.5 | 155.7 | 168.5 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | R33 D34 | S31-R33 PolarHBondContact O-N 3.46Å; S31-R33 VanDerWaalsContact O-N 3.1Å; S31-R33 PolarHBondContact OG-N 3.1Å; S31-D34 VanDerWaalsContact CB-OD2 3.24Å; S31-D34 WeakPolarHBondContact CB-OD2 3.35Å; S31-D34 PolarHBondContact N-OD2 3.06Å; S31-D34 PolarHBondContact O-N 2.95Å |
| 32 | S | 95.5 | Very high | 88.1 | Confident | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -23.5 | 169.7 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 33 | R | 94.9 | Very high | 89.3 | Confident | 213 Ų | 213 | 138.8 Ų | 138.8 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -19.1 | 176.3 | -63.2 | 169.2 | 66.7 | 90.3 | -1.8 | 113.7 | S31 L35 | S31-R33 PolarHBondContact O-N 3.46Å; S31-R33 VanDerWaalsContact O-N 3.1Å; S31-R33 PolarHBondContact OG-N 3.1Å; R33-L35 VanDerWaalsContact C-N 3.33Å |
| 34 | D | 93.1 | Very high | 90.4 | Very high | 102 Ų | 102 | 139.4 Ų | 139.4 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -89 | -6.1 | 179.3 | -55 | -32.5 | 0 | 0 | 0 | 112.1 | S31 | S31-D34 VanDerWaalsContact CB-OD2 3.24Å; S31-D34 WeakPolarHBondContact CB-OD2 3.35Å; S31-D34 PolarHBondContact N-OD2 3.06Å; S31-D34 PolarHBondContact O-N 2.95Å |
| 35 | L | 93.3 | Very high | 91.3 | Very high | 110 Ų | 110 | 139.8 Ų | 139.8 | 58% | 0.576 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -59.4 | 136.2 | 172.8 | -66.2 | 176.3 | 0 | 0 | 0 | 109.3 | R33 S37 | R33-L35 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 3.05Å |
| 36 | P | 95 | Very high | 92.2 | Very high | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | trans | -52.6 | 113.1 | -178.4 | -28.9 | 35.4 | 0 | 0 | 0 | 112.1 | T39 | P36-T39 HydrophobicContact CB-CG2 4.09Š| ||
| 37 | S | 95.3 | Very high | 92.9 | Very high | 83 Ų | 83 | 137.7 Ų | 137.7 | 58% | 0.58 | 68% | 0.683 | S | S | * | * | trans | -136.4 | 151.8 | 175.6 | 65 | 0 | 0 | 0 | 0 | 109.3 | L35 T39 | L35-S37 PolarHBondContact O-N 3.05Å; S37-T39 VanDerWaalsContact C-N 3.3Å; S37-T39 PolarHBondContact O-N 3.31Å | ||
| 38 | H | 96.1 | Very high | 93.3 | Very high | 177 Ų | 177 | 139.4 Ų | 139.4 | 82% | 0.819 | 68% | 0.683 | S | S | * | * | trans | 50.8 | 45.1 | -176.3 | -59.2 | -75.9 | 0 | 0 | 0 | 114 | K40 | H38-K40 PolarHBondContact O-N 3.13Š| ||
| 39 | T | 96.6 | Very high | 93.5 | Very high | 117 Ų | 117 | 134.9 Ų | 134.9 | 72% | 0.718 | 67% | 0.667 | S | S | * | * | trans | -66.2 | -5.2 | -176.5 | 57.9 | 0 | 0 | 0 | 0 | 114.9 | P36 S37 | P36-T39 HydrophobicContact CB-CG2 4.09Å; S37-T39 VanDerWaalsContact C-N 3.3Å; S37-T39 PolarHBondContact O-N 3.31Å | ||
| 40 | K | 96.6 | Very high | 93.6 | Very high | 183 Ų | 183 | 127.5 Ų | 127.5 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -120.4 | 119.5 | 176.6 | -63.1 | -178.1 | -178.4 | 179.5 | 0 | 109.2 | H38 | H38-K40 PolarHBondContact O-N 3.13Š|
| 41 | I | 95.6 | Very high | 93.6 | Very high | 135 Ų | 135 | 122.6 Ų | 122.6 | 69% | 0.692 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -76 | 136.6 | 171.3 | -61.2 | 173 | 0 | 0 | 0 | 108.3 | ||
| 42 | K | 95 | Very high | 93.4 | Very high | 201 Ų | 201 | 125.2 Ų | 125.2 | 87% | 0.874 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 127.5 | 176.4 | -62 | 179.6 | -177.7 | 179.2 | 0 | 109.4 | ||
| 43 | Y | 93.9 | Very high | 93.1 | Very high | 181 Ų | 181 | 123.8 Ų | 123.8 | 71% | 0.71 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 145.2 | 171.6 | -61.5 | -87.3 | 0 | 0 | 0 | 110.1 | Q45 | Y43-Q45 PolarHBondContact O-N 3.34Å; Y43-Q45 PolarHBondContact O-NE2 3.09Å |
| 44 | R | 94.4 | Very high | 92.9 | Very high | 164 Ų | 164 | 116.2 Ų | 116.2 | 62% | 0.619 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -61 | 125.2 | 172 | -68.5 | 179 | 179.4 | -92.8 | 1.6 | 108.8 | Q48 D49 | R44-Q48 PolarHBondContact NH1-O 3.21Å; R44-Q48 VanDerWaalsContact NH1-O 3.13Å; R44-D49 WeakPolarHBondContact CD-O 3.24Å |
| 45 | Q | 92.7 | Very high | 92.8 | Very high | 116 Ų | 116 | 120.1 Ų | 120.1 | 54% | 0.542 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 160.8 | 173.9 | -59.3 | -57.7 | -65 | 0 | 0 | 109.8 | Y43 T47 Q48 | Y43-Q45 PolarHBondContact O-N 3.34Å; Y43-Q45 PolarHBondContact O-NE2 3.09Å; Q45-T47 PolarHBondContact O-N 3.39Å; Q45-Q48 HydrophobicContact CB-CG 4.45Å; Q45-Q48 PolarHBondContact O-N 3.48Å |
| 46 | T | 90.6 | Very high | 92.6 | Very high | 106 Ų | 106 | 121.4 Ų | 121.4 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 135.3 | 160.6 | 53.9 | 0 | 0 | 0 | 0 | 107.9 | E53 | T46-E53 WeakPolarHBondContact CA-OE1 3.39Š|
| 47 | T | 91 | Very high | 92.4 | Very high | 125 Ų | 125 | 121.1 Ų | 121.1 | 77% | 0.767 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.5 | 5.6 | -168.6 | 87.9 | 0 | 0 | 0 | 0 | 117.2 | Q45 E53 | Q45-T47 PolarHBondContact O-N 3.39Å; T47-E53 WeakPolarHBondContact CA-OE2 3.42Å; T47-E53 PolarHBondContact N-OE1 3.47Å; T47-E53 PolarHBondContact N-OE2 2.93Å |
| 48 | Q | 92 | Very high | 92.3 | Very high | 107 Ų | 107 | 121.9 Ų | 121.9 | 50% | 0.5 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -120.7 | 42.3 | 177.7 | -63 | -172.1 | -25.9 | 0 | 0 | 112.8 | R44 Q45 | R44-Q48 PolarHBondContact NH1-O 3.21Å; R44-Q48 VanDerWaalsContact NH1-O 3.13Å; Q45-Q48 HydrophobicContact CB-CG 4.45Å; Q45-Q48 PolarHBondContact O-N 3.48Å |
| 49 | D | 90.3 | Very high | 92.2 | Very high | 88 Ų | 88 | 118.6 Ų | 118.6 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | trans | 58 | 49.7 | -171.2 | -52.3 | -50.5 | 0 | 0 | 0 | 110.9 | R44 V54 | R44-D49 WeakPolarHBondContact CD-O 3.24Å; D49-V54 HydrophobicContact CB-CG2 3.93Å | ||
| 50 | A | 90.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 123.4 Ų | 123.4 | 8% | 0.083 | 58% | 0.575 | C | S | . | * | trans | -58.4 | 147 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | E52 E53 V54 | A50-E52 PolarHBondContact O-N 3.12Å; A50-E52 VanDerWaalsContact O-N 3.07Å; A50-E53 HydrophobicContact CB-CG 4.41Å; A50-E53 WeakPolarHBondContact O-CB 3.45Å; A50-E53 PolarHBondContact O-N 3.43Å; A50-V54 PolarHBondContact O-N 3.04Å; A50-V54 VanDerWaalsContact O-N 3.09Å | ||
| 51 | P | 90.3 | Very high | 92 | Very high | 84 Ų | 84 | 122.6 Ų | 122.6 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57.6 | -31.4 | -173.2 | 22.7 | -34.1 | 0 | 0 | 0 | 113.3 | R55 | P51-R55 VanDerWaalsContact O-CG 3.32Å; P51-R55 WeakPolarHBondContact O-CG 3.32Å; P51-R55 PolarHBondContact O-N 2.65Å; P51-R55 VanDerWaalsContact O-N 3.12Å |
| 52 | E | 88.6 | Confident | 91.9 | Very high | 109 Ų | 109 | 119.4 Ų | 119.4 | 51% | 0.509 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.3 | -35.6 | 176.2 | -56.5 | -55.1 | 157.4 | 0 | 0 | 112.7 | A50 R55 N56 | A50-E52 PolarHBondContact O-N 3.12Å; A50-E52 VanDerWaalsContact O-N 3.07Å; E52-R55 IonicContact OE1-NH1 3.44Å; E52-R55 IonicContact OE2-NH1 3.59Å; E52-N56 PolarHBondContact O-N 3.09Å; E52-N56 PolarHBondContact O-ND2 2.98Å |
| 53 | E | 89.7 | Confident | 91.9 | Very high | 71 Ų | 71 | 114.4 Ų | 114.4 | 33% | 0.332 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 175.8 | -69.1 | 166 | -161.7 | 0 | 0 | 111.2 | T46 T47 A50 R55 N56 R57 | T46-E53 WeakPolarHBondContact CA-OE1 3.39Å; T47-E53 WeakPolarHBondContact CA-OE2 3.42Å; T47-E53 PolarHBondContact N-OE1 3.47Å; T47-E53 PolarHBondContact N-OE2 2.93Å; A50-E53 HydrophobicContact CB-CG 4.41Å; A50-E53 WeakPolarHBondContact O-CB 3.45Å; A50-E53 PolarHBondContact O-N 3.43Å; E53-R55 VanDerWaalsContact C-N 3.32Å; E53-R55 PolarHBondContact O-N 3.02Å; E53-N56 PolarHBondContact O-N 3.36Å; E53-R57 WeakPolarHBondContact O-CB 3.46Å; E53-R57 PolarHBondContact O-N 2.67Å |
| 54 | V | 91 | Very high | 92 | Very high | 53 Ų | 53 | 110.2 Ų | 110.2 | 32% | 0.321 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | D49 A50 N56 R57 F59 | D49-V54 HydrophobicContact CB-CG2 3.93Å; A50-V54 PolarHBondContact O-N 3.04Å; A50-V54 VanDerWaalsContact O-N 3.09Å; V54-N56 VanDerWaalsContact C-N 3.33Å; V54-N56 PolarHBondContact O-N 3.45Å; V54-R57 PolarHBondContact O-N 3.15Å; V54-F59 HydrophobicContact CB-CZ 4.26Å; V54-F59 HydrophobicContact CG1-CE2 3.89Å; V54-F59 HydrophobicContact CG1-CZ 3.62Å; V54-F59 VanDerWaalsContact O-CE2 3.25Å; V54-F59 WeakPolarHBondContact O-CE2 3.48Å; V54-F59 WeakPolarHBondContact O-CZ 3.25Å |
| 55 | R | 90.2 | Very high | 92 | Very high | 184 Ų | 184 | 108.4 Ų | 108.4 | 69% | 0.694 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -35.6 | 178 | -78 | 172.6 | 174.6 | 175.8 | -2.9 | 113.3 | P51 E52 E53 R57 | P51-R55 VanDerWaalsContact O-CG 3.32Å; P51-R55 WeakPolarHBondContact O-CG 3.32Å; P51-R55 PolarHBondContact O-N 2.65Å; P51-R55 VanDerWaalsContact O-N 3.12Å; E52-R55 IonicContact OE1-NH1 3.44Å; E52-R55 IonicContact OE2-NH1 3.59Å; E53-R55 VanDerWaalsContact C-N 3.32Å; E53-R55 PolarHBondContact O-N 3.02Å; R55-R57 VanDerWaalsContact C-N 3.26Å; R55-R57 PolarHBondContact O-N 3.14Å |
| 56 | N | 89.9 | Confident | 92.2 | Very high | 137 Ų | 137 | 112 Ų | 112 | 73% | 0.733 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 0.5 | -178.2 | -65.3 | -22.9 | 0 | 0 | 0 | 113.3 | E52 E53 V54 | E52-N56 PolarHBondContact O-N 3.09Å; E52-N56 PolarHBondContact O-ND2 2.98Å; E53-N56 PolarHBondContact O-N 3.36Å; V54-N56 VanDerWaalsContact C-N 3.33Å; V54-N56 PolarHBondContact O-N 3.45Å |
| 57 | R | 90 | Very high | 92.4 | Very high | 113 Ų | 113 | 112.7 Ų | 112.7 | 43% | 0.426 | 52% | 0.522 | S | S | . | . | trans | -101.2 | 129.7 | -171.1 | -167.2 | 167.5 | -176.5 | 142.2 | -0 | 112.4 | E53 V54 R55 F59 E62 | E53-R57 WeakPolarHBondContact O-CB 3.46Å; E53-R57 PolarHBondContact O-N 2.67Å; V54-R57 PolarHBondContact O-N 3.15Å; R55-R57 VanDerWaalsContact C-N 3.26Å; R55-R57 PolarHBondContact O-N 3.14Å; R57-F59 HydrophobicContact CB-CE1 4.26Å; R57-F59 HydrophobicContact CB-CE2 4.39Å; R57-F59 HydrophobicContact CB-CZ 4.01Å; R57-F59 HydrophobicContact CG-CD1 4.39Å; R57-F59 HydrophobicContact CG-CE1 4.07Å; R57-F59 HydrophobicContact CG-CZ 4.33Å; R57-F59 PolarHBondContact O-N 3.27Å; R57-F59 VanDerWaalsContact O-N 3.09Å; R57-E62 IonicContact CZ-OE1 3.5Å; R57-E62 IonicContact CZ-OE2 3.53Å; R57-E62 VanDerWaalsContact CZ-OE2 3.23Å; R57-E62 IonicContact NE-OE1 2.78Å; R57-E62 IonicContact NE-OE2 2.67Å; R57-E62 PolarHBondContact NE-OE2 3.23Å; R57-E62 IonicContact NH2-OE1 3.6Å; R57-E62 PolarHBondContact NH2-OE1 2.93Å; R57-E62 IonicContact NH2-OE2 3.23Å; R57-E62 PolarHBondContact NH2-OE2 3.15Å | ||
| 58 | D | 93.1 | Very high | 92.5 | Very high | 98 Ų | 98 | 112.8 Ų | 112.8 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | trans | -81.9 | 79.9 | 175.3 | -64.4 | -33.7 | 0 | 0 | 0 | 111.9 | R60 R61 E62 | D58-R60 PolarHBondContact O-N 3.38Å; D58-R60 VanDerWaalsContact O-N 3.14Å; D58-R61 HydrophobicContact CB-CB 4.37Å; D58-R61 PolarHBondContact O-N 2.9Å; D58-R61 IonicContact OD2-CZ 3.04Å; D58-R61 IonicContact OD2-NH2 2.65Å; D58-E62 PolarHBondContact O-N 3.27Å | ||
| 59 | F | 94.1 | Very high | 92.6 | Very high | 109 Ų | 109 | 110.4 Ų | 110.4 | 48% | 0.478 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.9 | -30.8 | -177.7 | -66.2 | -64.9 | 0 | 0 | 0 | 114.5 | V54 R57 L63 | V54-F59 HydrophobicContact CB-CZ 4.26Å; V54-F59 HydrophobicContact CG1-CE2 3.89Å; V54-F59 HydrophobicContact CG1-CZ 3.62Å; V54-F59 VanDerWaalsContact O-CE2 3.25Å; V54-F59 WeakPolarHBondContact O-CE2 3.48Å; V54-F59 WeakPolarHBondContact O-CZ 3.25Å; R57-F59 HydrophobicContact CB-CE1 4.26Å; R57-F59 HydrophobicContact CB-CE2 4.39Å; R57-F59 HydrophobicContact CB-CZ 4.01Å; R57-F59 HydrophobicContact CG-CD1 4.39Å; R57-F59 HydrophobicContact CG-CE1 4.07Å; R57-F59 HydrophobicContact CG-CZ 4.33Å; R57-F59 PolarHBondContact O-N 3.27Å; R57-F59 VanDerWaalsContact O-N 3.09Å; F59-L63 WeakPolarHBondContact O-CB 3.31Å; F59-L63 PolarHBondContact O-N 3.5Å |
| 60 | R | 94.1 | Very high | 92.7 | Very high | 217 Ų | 217 | 108.7 Ų | 108.7 | 82% | 0.819 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.2 | -48.8 | 179.5 | -174.4 | -177.8 | 178.6 | 108.5 | 0.3 | 111.6 | D58 E64 | D58-R60 PolarHBondContact O-N 3.38Å; D58-R60 VanDerWaalsContact O-N 3.14Å; R60-E64 PolarHBondContact O-N 3.37Å; R60-E64 VanDerWaalsContact O-N 3.15Å |
| 61 | R | 94.7 | Very high | 92.8 | Very high | 166 Ų | 166 | 110.3 Ų | 110.3 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -44.5 | -179 | -177.2 | -179.9 | 65.2 | -158.6 | -9.4 | 111 | D58 E64 E65 | D58-R61 HydrophobicContact CB-CB 4.37Å; D58-R61 PolarHBondContact O-N 2.9Å; D58-R61 IonicContact OD2-CZ 3.04Å; D58-R61 IonicContact OD2-NH2 2.65Å; R61-E64 PolarHBondContact O-N 2.96Å; R61-E65 WeakPolarHBondContact O-CB 3.39Å; R61-E65 PolarHBondContact O-N 3.15Å |
| 62 | E | 94.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 114.9 Ų | 114.9 | 32% | 0.322 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 179.6 | -178.8 | -174.7 | 179.3 | 0 | 0 | 112.4 | R57 D58 E64 E65 R66 | R57-E62 IonicContact CZ-OE1 3.5Å; R57-E62 IonicContact CZ-OE2 3.53Å; R57-E62 VanDerWaalsContact CZ-OE2 3.23Å; R57-E62 IonicContact NE-OE1 2.78Å; R57-E62 IonicContact NE-OE2 2.67Å; R57-E62 PolarHBondContact NE-OE2 3.23Å; R57-E62 IonicContact NH2-OE1 3.6Å; R57-E62 PolarHBondContact NH2-OE1 2.93Å; R57-E62 IonicContact NH2-OE2 3.23Å; R57-E62 PolarHBondContact NH2-OE2 3.15Å; D58-E62 PolarHBondContact O-N 3.27Å; E62-E64 VanDerWaalsContact C-N 3.34Å; E62-E64 PolarHBondContact O-N 3.44Å; E62-E65 PolarHBondContact O-N 2.97Å; E62-R66 VanDerWaalsContact O-CB 3.31Å; E62-R66 WeakPolarHBondContact O-CB 3.18Å; E62-R66 PolarHBondContact O-N 3.44Å |
| 63 | L | 95.5 | Very high | 92.9 | Very high | 96 Ų | 96 | 115.3 Ų | 115.3 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 177.1 | -177.4 | 158.6 | 0 | 0 | 0 | 110.1 | F59 E65 R66 E67 | F59-L63 WeakPolarHBondContact O-CB 3.31Å; F59-L63 PolarHBondContact O-N 3.5Å; L63-E65 PolarHBondContact O-N 3.41Å; L63-R66 PolarHBondContact O-N 3.45Å; L63-E67 HydrophobicContact CD2-CG 3.96Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.48Å; L63-E67 WeakPolarHBondContact CD2-OE2 3.33Å; L63-E67 WeakPolarHBondContact O-CB 3.47Å; L63-E67 WeakPolarHBondContact O-CG 3.33Å; L63-E67 PolarHBondContact O-N 3Å |
| 64 | E | 95.5 | Very high | 92.8 | Very high | 92 Ų | 92 | 119.2 Ų | 119.2 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 179.4 | -168.3 | -169.9 | 150 | 0 | 0 | 112.2 | R60 R61 E62 E67 R68 | R60-E64 PolarHBondContact O-N 3.37Å; R60-E64 VanDerWaalsContact O-N 3.15Å; R61-E64 PolarHBondContact O-N 2.96Å; E62-E64 VanDerWaalsContact C-N 3.34Å; E62-E64 PolarHBondContact O-N 3.44Å; E64-E67 PolarHBondContact O-N 3.15Å; E64-R68 VanDerWaalsContact O-CB 3.29Å; E64-R68 WeakPolarHBondContact O-CB 3.32Å; E64-R68 PolarHBondContact O-N 3.48Å; E64-R68 IonicContact OE1-CZ 2.93Å; E64-R68 IonicContact OE1-NH1 3.7Å; E64-R68 IonicContact OE1-NH2 3.15Å; E64-R68 PolarHBondContact OE1-NH2 3.48Å |
| 65 | E | 95 | Very high | 92.4 | Very high | 126 Ų | 126 | 122.3 Ų | 122.3 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -44.5 | 176.3 | -175.5 | 175.1 | -170 | 0 | 0 | 111.8 | R61 E62 L63 R68 A69 | R61-E65 WeakPolarHBondContact O-CB 3.39Å; R61-E65 PolarHBondContact O-N 3.15Å; E62-E65 PolarHBondContact O-N 2.97Å; L63-E65 PolarHBondContact O-N 3.41Å; E65-R68 PolarHBondContact O-N 3.47Å; E65-A69 WeakPolarHBondContact O-CB 3.29Å; E65-A69 PolarHBondContact O-N 3.37Å |
| 66 | R | 95.8 | Very high | 91.9 | Very high | 192 Ų | 192 | 123.1 Ų | 123.1 | 73% | 0.725 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.2 | -38.2 | 178.9 | -171.5 | 171.9 | 174.1 | 80.1 | 2.9 | 111.9 | E62 L63 A69 A70 | E62-R66 VanDerWaalsContact O-CB 3.31Å; E62-R66 WeakPolarHBondContact O-CB 3.18Å; E62-R66 PolarHBondContact O-N 3.44Å; L63-R66 PolarHBondContact O-N 3.45Å; R66-A69 PolarHBondContact O-N 2.92Å; R66-A70 WeakPolarHBondContact O-CB 3.45Å; R66-A70 PolarHBondContact O-N 2.89Å |
| 67 | E | 94.9 | Very high | 90.7 | Very high | 121 Ų | 121 | 121.9 Ų | 121.9 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.2 | -42.9 | 172.7 | -76.1 | -174.8 | 164.2 | 0 | 0 | 111.5 | L63 E64 A69 A70 A71 | L63-E67 HydrophobicContact CD2-CG 3.96Å; L63-E67 WeakPolarHBondContact CD2-OE1 3.48Å; L63-E67 WeakPolarHBondContact CD2-OE2 3.33Å; L63-E67 WeakPolarHBondContact O-CB 3.47Å; L63-E67 WeakPolarHBondContact O-CG 3.33Å; L63-E67 PolarHBondContact O-N 3Å; E64-E67 PolarHBondContact O-N 3.15Å; E67-A69 PolarHBondContact O-N 2.83Å; E67-A70 PolarHBondContact O-N 2.71Å; E67-A71 VanDerWaalsContact O-CB 3.26Å; E67-A71 WeakPolarHBondContact O-CB 3.46Å; E67-A71 PolarHBondContact O-N 3.4Å |
| 68 | R | 93.4 | Very high | 89.4 | Confident | 127 Ų | 127 | 124.2 Ų | 124.2 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.5 | -42.8 | 175.2 | -176 | 177.7 | -71.1 | 118.4 | 2 | 111.6 | E64 E65 A71 R72 | E64-R68 VanDerWaalsContact O-CB 3.29Å; E64-R68 WeakPolarHBondContact O-CB 3.32Å; E64-R68 PolarHBondContact O-N 3.48Å; E64-R68 IonicContact OE1-CZ 2.93Å; E64-R68 IonicContact OE1-NH1 3.7Å; E64-R68 IonicContact OE1-NH2 3.15Å; E64-R68 PolarHBondContact OE1-NH2 3.48Å; E65-R68 PolarHBondContact O-N 3.47Å; R68-A71 PolarHBondContact O-N 2.89Å; R68-R72 WeakPolarHBondContact O-CG 3.26Å; R68-R72 PolarHBondContact O-N 3.04Å |
| 69 | A | 93.9 | Very high | 87.5 | Confident | 56 Ų | 56 | 124.6 Ų | 124.6 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.8 | -46.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E65 R66 E67 A71 R72 E73 | E65-A69 WeakPolarHBondContact O-CB 3.29Å; E65-A69 PolarHBondContact O-N 3.37Å; R66-A69 PolarHBondContact O-N 2.92Å; E67-A69 PolarHBondContact O-N 2.83Å; A69-A71 VanDerWaalsContact C-N 3.31Å; A69-A71 PolarHBondContact O-N 2.84Å; A69-R72 WeakPolarHBondContact O-CB 3.34Å; A69-R72 PolarHBondContact O-N 3.49Å; A69-R72 VanDerWaalsContact O-N 3.15Å; A69-E73 PolarHBondContact O-N 3.29Å |
| 70 | A | 93.4 | Very high | 85.4 | Confident | 52 Ų | 52 | 126.2 Ų | 126.2 | 43% | 0.43 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.8 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | R66 E67 E73 K74 | R66-A70 WeakPolarHBondContact O-CB 3.45Å; R66-A70 PolarHBondContact O-N 2.89Å; E67-A70 PolarHBondContact O-N 2.71Å; A70-E73 PolarHBondContact O-N 3.45Å; A70-K74 VanDerWaalsContact O-CB 3.28Å; A70-K74 WeakPolarHBondContact O-CB 3.48Å; A70-K74 PolarHBondContact O-N 3.2Å |
| 71 | A | 91.9 | Very high | 83.5 | Confident | 45 Ų | 45 | 123.6 Ų | 123.6 | 37% | 0.372 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.9 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E67 R68 A69 N75 | E67-A71 VanDerWaalsContact O-CB 3.26Å; E67-A71 WeakPolarHBondContact O-CB 3.46Å; E67-A71 PolarHBondContact O-N 3.4Å; R68-A71 PolarHBondContact O-N 2.89Å; A69-A71 VanDerWaalsContact C-N 3.31Å; A69-A71 PolarHBondContact O-N 2.84Å; A71-N75 WeakPolarHBondContact O-CB 3.47Å; A71-N75 PolarHBondContact O-N 3.42Å; A71-N75 PolarHBondContact O-ND2 3.27Å |
| 72 | R | 90.1 | Very high | 81.3 | Confident | 180 Ų | 180 | 123.6 Ų | 123.6 | 68% | 0.679 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.5 | -44.7 | 174.6 | -74.3 | 174.7 | 178.2 | -150.5 | -0.1 | 111.8 | R68 A69 N75 R76 | R68-R72 WeakPolarHBondContact O-CG 3.26Å; R68-R72 PolarHBondContact O-N 3.04Å; A69-R72 WeakPolarHBondContact O-CB 3.34Å; A69-R72 PolarHBondContact O-N 3.49Å; A69-R72 VanDerWaalsContact O-N 3.15Å; R72-N75 PolarHBondContact O-N 2.97Å; R72-R76 PolarHBondContact O-N 3.1Å |
| 73 | E | 89.9 | Confident | 78.8 | Confident | 118 Ų | 118 | 129.7 Ų | 129.7 | 55% | 0.551 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.7 | -48 | 176.6 | -172.4 | 178.2 | -170 | 0 | 0 | 111.3 | A69 A70 N75 R76 D77 | A69-E73 PolarHBondContact O-N 3.29Å; A70-E73 PolarHBondContact O-N 3.45Å; E73-N75 VanDerWaalsContact C-N 3.28Å; E73-N75 PolarHBondContact O-N 3.4Å; E73-R76 PolarHBondContact O-N 3.2Å; E73-R76 VanDerWaalsContact O-N 3.11Å; E73-D77 PolarHBondContact O-N 3.49Å; E73-D77 VanDerWaalsContact O-N 3.16Å |
| 74 | K | 88.8 | Confident | 76.4 | Confident | 153 Ų | 153 | 130.7 Ų | 130.7 | 67% | 0.665 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.5 | -36.3 | 177 | -176 | -179.9 | 177.1 | -175.2 | 0 | 113 | A70 R78 | A70-K74 VanDerWaalsContact O-CB 3.28Å; A70-K74 WeakPolarHBondContact O-CB 3.48Å; A70-K74 PolarHBondContact O-N 3.2Å; K74-R78 WeakPolarHBondContact O-CB 3.34Å; K74-R78 PolarHBondContact O-N 3.43Å |
| 75 | N | 81.9 | Confident | 74.1 | Confident | 118 Ų | 118 | 132.5 Ų | 132.5 | 63% | 0.631 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.4 | -33.3 | 177 | -79.2 | -49.2 | 0 | 0 | 0 | 112.4 | A71 R72 E73 D77 R78 | A71-N75 WeakPolarHBondContact O-CB 3.47Å; A71-N75 PolarHBondContact O-N 3.42Å; A71-N75 PolarHBondContact O-ND2 3.27Å; R72-N75 PolarHBondContact O-N 2.97Å; E73-N75 VanDerWaalsContact C-N 3.28Å; E73-N75 PolarHBondContact O-N 3.4Å; N75-D77 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact O-N 3.13Å; N75-R78 PolarHBondContact O-N 2.92Å |
| 76 | R | 79.1 | Confident | 71.6 | Confident | 201 Ų | 201 | 131.8 Ų | 131.8 | 76% | 0.758 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.6 | -36.8 | 177.2 | -161.8 | 176.6 | 73.5 | -165.5 | 1.5 | 112.2 | R72 E73 | R72-R76 PolarHBondContact O-N 3.1Å; E73-R76 PolarHBondContact O-N 3.2Å; E73-R76 VanDerWaalsContact O-N 3.11Å |
| 77 | D | 64.7 | Low | 68.9 | Low | 110 Ų | 110 | 127.8 Ų | 127.8 | 59% | 0.588 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 1.3 | -177.6 | -67.6 | -23.1 | 0 | 0 | 0 | 114.1 | E73 N75 P79 | E73-D77 PolarHBondContact O-N 3.49Å; E73-D77 VanDerWaalsContact O-N 3.16Å; N75-D77 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact O-N 3.13Å; D77-P79 WeakPolarHBondContact O-CD 3.39Å |
| 78 | R | 62.7 | Low | 66.1 | Low | 162 Ų | 162 | 127 Ų | 127 | 61% | 0.611 | 66% | 0.661 | S | S | * | * | trans | -106.4 | 87.5 | 179 | -164.3 | 168.7 | -176.5 | -113.6 | -2 | 110.3 | K74 N75 T80 | K74-R78 WeakPolarHBondContact O-CB 3.34Å; K74-R78 PolarHBondContact O-N 3.43Å; N75-R78 PolarHBondContact O-N 2.92Å; R78-T80 PolarHBondContact O-N 3.47Å | ||
| 79 | P | 53.9 | Low | 64 | Low | 107 Ų | 107 | 127.4 Ų | 127.4 | 70% | 0.695 | 68% | 0.677 | S | S | * | * | trans | -58.2 | 135.2 | 163.1 | 26.6 | -31.7 | 0 | 0 | 0 | 107.8 | D77 R81 | D77-P79 WeakPolarHBondContact O-CD 3.39Å; P79-R81 PolarHBondContact O-N 3.28Å | ||
| 80 | T | 50.6 | Low | 61.9 | Low | 143 Ų | 143 | 130.1 Ų | 130.1 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | trans | -35.5 | 89.4 | 174.4 | 8 | 0 | 0 | 0 | 0 | 112 | R78 E82 | R78-T80 PolarHBondContact O-N 3.47Å; T80-E82 PolarHBondContact O-N 3.37Å | ||
| 81 | R | 54.3 | Low | 59.6 | Low | 162 Ų | 162 | 137.6 Ų | 137.6 | 61% | 0.611 | 72% | 0.715 | S | S | * | * | trans | -87.8 | 96.2 | 164.6 | -174.7 | 167.6 | 163.4 | 158.2 | -5.5 | 106.3 | P79 D207 | P79-R81 PolarHBondContact O-N 3.28Å; R81-D207 IonicContact CZ-OD1 2.9Å; R81-D207 IonicContact NH1-OD1 3.4Å; R81-D207 PolarHBondContact NH1-OD1 2.77Å; R81-D207 IonicContact NH2-OD1 3.76Å; R81-D207 PolarHBondContact NH2-OD1 3.47Å; R81-D207 IonicContact NH2-OD2 2.86Å | ||
| 82 | E | 46.9 | Very low | 57.7 | Low | 165 Ų | 165 | 145.3 Ų | 145.3 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | trans | -46 | 142.5 | 177.9 | -67.3 | -170.4 | 154 | 0 | 0 | 112.4 | T80 T84 | T80-E82 PolarHBondContact O-N 3.37Å; E82-T84 PolarHBondContact O-N 2.9Å | ||
| 83 | H | 42 | Very low | 55.6 | Low | 197 Ų | 197 | 142.6 Ų | 142.6 | 91% | 0.912 | 75% | 0.747 | S | S | * | * | trans | -50.1 | 116 | 165.5 | -91 | -76.4 | 0 | 0 | 0 | 111.3 | ||||
| 84 | T | 45.4 | Very low | 53.6 | Low | 117 Ų | 117 | 148.9 Ų | 148.9 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -139.1 | 131 | 150.9 | 61.8 | 0 | 0 | 0 | 0 | 109.6 | E82 | E82-T84 PolarHBondContact O-N 2.9Š| ||
| 85 | T | 47.7 | Very low | 51.8 | Low | 130 Ų | 130 | 148.9 Ų | 148.9 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | trans | 83.6 | 73.7 | 165.2 | 80.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 86 | S | 41.3 | Very low | 50.3 | Low | 112 Ų | 112 | 149.7 Ų | 149.7 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | -34.1 | 133.8 | 126.6 | 38.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 87 | S | 40.3 | Very low | 49.2 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | 163.8 | 119.2 | 124.2 | 49.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 88 | S | 36.5 | Very low | 48.8 | Very low | 105 Ų | 105 | 152.1 Ų | 152.1 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | 74.9 | 150.9 | 145.7 | 73.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 89 | V | 48.1 | Very low | 48 | Very low | 135 Ų | 135 | 150.2 Ų | 150.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 69.1 | 110.7 | 172.2 | -67.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 90 | S | 50.1 | Low | 47.9 | Very low | 114 Ų | 114 | 150 Ų | 150 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | cis | -162.1 | 133 | 26.6 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 91 | K | 44.4 | Very low | 48.1 | Very low | 208 Ų | 208 | 146.7 Ų | 146.7 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -65.7 | 131.2 | 171.9 | -65.2 | 171.7 | 176.4 | 175 | 0 | 111 | ||||
| 92 | K | 53.5 | Low | 47.6 | Very low | 207 Ų | 207 | 146.2 Ų | 146.2 | 90% | 0.9 | 81% | 0.808 | S | S | * | * | trans | -141.7 | 110.1 | 152.1 | -77 | -170.6 | 172.1 | -178 | 0 | 108.6 | ||||
| 93 | P | 44.9 | Very low | 47.9 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -89.9 | 141 | 175.3 | 34.7 | -28.3 | 0 | 0 | 0 | 110.6 | ||||
| 94 | R | 48.9 | Very low | 48.1 | Very low | 250 Ų | 250 | 143.8 Ų | 143.8 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | trans | -128.9 | 94.5 | 162.2 | -108.2 | -176.1 | 154.4 | 108.3 | -1.1 | 103.6 | ||||
| 95 | L | 50 | Low | 48.2 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | 54.4 | 122.9 | 82.9 | -162.7 | 65.9 | 0 | 0 | 0 | 112.6 | |||||
| 96 | D | 51.2 | Low | 48.1 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | 96.1 | 76.1 | 171.4 | -56.5 | -31.8 | 0 | 0 | 0 | 118.7 | ||||
| 97 | Q | 56.2 | Low | 48.7 | Very low | 202 Ų | 202 | 145.7 Ų | 145.7 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | -166.9 | 136.7 | 116.2 | -109.9 | 171.5 | 25.8 | 0 | 0 | 112.1 | |||||
| 98 | I | 55.2 | Low | 49.3 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 82% | 0.821 | 81% | 0.806 | S | S | * | * | trans | -91.6 | 154.8 | -158 | -67.8 | 162.1 | 0 | 0 | 0 | 111.1 | ||||
| 99 | P | 47.5 | Very low | 49.8 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -101.5 | 161.3 | -158.7 | 37.6 | -28.2 | 0 | 0 | 0 | 114.2 | ||||
| 100 | A | 50.8 | Low | 49.6 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | trans | -146.3 | 143.7 | 160 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 101 | A | 54.3 | Low | 49.3 | Very low | 75 Ų | 75 | 150 Ų | 150 | 62% | 0.62 | 81% | 0.812 | S | S | * | * | cis | -175.4 | 111.5 | -19.3 | 0 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 102 | N | 44.9 | Very low | 49.5 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | 58.6 | 157 | 149.1 | -52.4 | -42.6 | 0 | 0 | 0 | 121 | ||||
| 103 | L | 52.2 | Low | 49.1 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | 98.2 | 90.8 | 163.8 | -63.4 | 125 | 0 | 0 | 0 | 114.2 | ||||
| 104 | D | 46.6 | Very low | 49.1 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 64.8 | 125.8 | 59.2 | -156.6 | 43 | 0 | 0 | 0 | 109.5 | |||||
| 105 | A | 47.3 | Very low | 49.1 | Very low | 77 Ų | 77 | 143.9 Ų | 143.9 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | cis | -159.4 | 169.5 | 13.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 106 | D | 46.2 | Very low | 49 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -39.4 | 134.8 | 156.3 | -91.2 | -45.3 | 0 | 0 | 0 | 112.9 | ||||
| 107 | D | 54.5 | Low | 49.1 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -144.1 | 122.9 | 148.4 | -159.1 | 25 | 0 | 0 | 0 | 110.8 | ||||
| 108 | P | 52 | Low | 48.6 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | -99.6 | 150.5 | -174.3 | 36.9 | -30.9 | 0 | 0 | 0 | 114.1 | ||||
| 109 | L | 46.7 | Very low | 48.6 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | 58.4 | 115.9 | 147.4 | -156.9 | 94.1 | 0 | 0 | 0 | 118.7 | ||||
| 110 | T | 43.4 | Very low | 48.6 | Very low | 135 Ų | 135 | 149.3 Ų | 149.3 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | -161.8 | 113.4 | 127.1 | 43.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 111 | D | 44.5 | Very low | 48.2 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -60.5 | 132.7 | 145.6 | -153.9 | 11.1 | 0 | 0 | 0 | 107.3 | ||||
| 112 | E | 48 | Very low | 48 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 172.2 | 110.8 | 151.1 | -96.2 | 167.6 | -148.9 | 0 | 0 | 110.5 | ||||
| 113 | E | 45.9 | Very low | 48.5 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | 64.1 | 115.1 | 129.2 | -61.1 | 179.4 | 179.6 | 0 | 0 | 120.3 | |||||
| 114 | D | 44.4 | Very low | 48.7 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 42.4 | 120.5 | 131.5 | -60.7 | -27.5 | 0 | 0 | 0 | 119.2 | ||||
| 115 | E | 50.1 | Low | 49.3 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | -166.5 | 117 | 126.3 | -105.5 | 169.4 | -157.7 | 0 | 0 | 111 | |||||
| 116 | D | 46.6 | Very low | 49.9 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -50.2 | 131.5 | 170.5 | -80 | -46.5 | 0 | 0 | 0 | 112.5 | ||||
| 117 | F | 53.4 | Low | 50.8 | Low | 199 Ų | 199 | 143.7 Ų | 143.7 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | trans | -139.8 | 104.9 | 152.6 | -93.7 | -85.9 | 0 | 0 | 0 | 110 | ||||
| 118 | E | 46.6 | Very low | 51.3 | Low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | trans | -69.5 | 130.7 | 166 | -65.4 | -178.4 | 159.9 | 0 | 0 | 110.8 | ||||
| 119 | E | 53.7 | Low | 51.7 | Low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -170.7 | 97.3 | 150 | -123.1 | 174.5 | -179.3 | 0 | 0 | 107.1 | ||||
| 120 | E | 48.7 | Very low | 52.9 | Low | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | 95.7 | 115.8 | 91.7 | -172 | 155.4 | -153.3 | 0 | 0 | 112.4 | |||||
| 121 | S | 43.1 | Very low | 54.4 | Low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | 78.6 | 82.2 | 148.9 | -173.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 122 | D | 49.6 | Very low | 55.7 | Low | 118 Ų | 118 | 131.7 Ų | 131.7 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | -167.2 | 98.8 | 126.6 | -134.1 | -7.9 | 0 | 0 | 0 | 111.2 | D124 | D122-D124 PolarHBondContact O-N 3Š| |||
| 123 | D | 54.8 | Low | 56.9 | Low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -4.8 | -167.3 | -156.7 | 24.3 | 0 | 0 | 0 | 114 | ||
| 124 | D | 56.1 | Low | 58.5 | Low | 138 Ų | 138 | 127 Ų | 127 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -32 | -174.9 | -99.4 | -21.9 | 0 | 0 | 0 | 114.1 | D122 | D122-D124 PolarHBondContact O-N 3Š|
| 125 | D | 59.3 | Low | 60.1 | Low | 119 Ų | 119 | 127 Ų | 127 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.4 | -26.8 | -177.6 | -81.8 | -19.9 | 0 | 0 | 0 | 113.3 | L129 | D125-L129 PolarHBondContact O-N 3.47Å |
| 126 | T | 61 | Low | 61.2 | Low | 79 Ų | 79 | 122 Ų | 122 | 49% | 0.485 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -74.8 | -34.5 | 177.6 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | L129 L130 | T126-L129 PolarHBondContact O-N 3.48Å; T126-L130 PolarHBondContact O-N 2.93Å; T126-L130 VanDerWaalsContact O-N 3.13Å |
| 127 | A | 63.6 | Low | 62.8 | Low | 57 Ų | 57 | 122 Ų | 122 | 47% | 0.471 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.2 | -38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A131 | A127-A131 PolarHBondContact O-N 3.36Å |
| 128 | A | 65.3 | Low | 64.2 | Low | 61 Ų | 61 | 119.9 Ų | 119.9 | 50% | 0.504 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.7 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A131 E132 | A128-A131 PolarHBondContact O-N 2.9Å; A128-E132 PolarHBondContact O-N 2.91Å |
| 129 | L | 61.1 | Low | 65.9 | Low | 108 Ų | 108 | 117.1 Ų | 117.1 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.7 | -36.1 | 178.4 | -88.9 | 168.3 | 0 | 0 | 0 | 113.4 | D125 T126 E132 L133 | D125-L129 PolarHBondContact O-N 3.47Å; T126-L129 PolarHBondContact O-N 3.48Å; L129-E132 PolarHBondContact O-N 2.97Å; L129-L133 PolarHBondContact O-N 2.99Å |
| 130 | L | 72.1 | Confident | 67.2 | Low | 110 Ų | 110 | 117.5 Ų | 117.5 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.6 | -38.7 | 175.3 | -73.2 | 175.4 | 0 | 0 | 0 | 112.1 | T126 E132 L133 E134 | T126-L130 PolarHBondContact O-N 2.93Å; T126-L130 VanDerWaalsContact O-N 3.13Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 PolarHBondContact O-N 3.38Å; L130-L133 PolarHBondContact O-N 3.16Å; L130-E134 WeakPolarHBondContact O-CG 3.48Å; L130-E134 PolarHBondContact O-N 3.48Å |
| 131 | A | 74.7 | Confident | 68.8 | Low | 59 Ų | 59 | 112.1 Ų | 112.1 | 49% | 0.488 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -35.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A127 A128 K135 | A127-A131 PolarHBondContact O-N 3.36Å; A128-A131 PolarHBondContact O-N 2.9Å; A131-K135 WeakPolarHBondContact O-CB 3.44Å; A131-K135 PolarHBondContact O-N 3.44Å; A131-K135 VanDerWaalsContact O-N 3.1Å |
| 132 | E | 71.8 | Confident | 70.7 | Confident | 117 Ų | 117 | 113.6 Ų | 113.6 | 55% | 0.547 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.5 | -39.1 | 174.9 | -164.5 | 172.2 | -165 | 0 | 0 | 112 | A128 L129 L130 K135 I136 | A128-E132 PolarHBondContact O-N 2.91Å; L129-E132 PolarHBondContact O-N 2.97Å; L130-E132 VanDerWaalsContact C-N 3.32Å; L130-E132 PolarHBondContact O-N 3.38Å; E132-K135 WeakPolarHBondContact O-CB 3.43Å; E132-K135 PolarHBondContact O-N 2.9Å; E132-I136 HydrophobicContact CG-CD1 4.37Å; E132-I136 WeakPolarHBondContact O-CG1 3.28Å; E132-I136 PolarHBondContact O-N 3.31Å |
| 133 | L | 73.4 | Confident | 72.1 | Confident | 88 Ų | 88 | 113.9 Ų | 113.9 | 46% | 0.461 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -39.8 | 173.4 | -83.1 | 176.1 | 0 | 0 | 0 | 113 | L129 L130 K135 I136 K137 | L129-L133 PolarHBondContact O-N 2.99Å; L130-L133 PolarHBondContact O-N 3.16Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-I136 PolarHBondContact O-N 3.11Å; L133-K137 WeakPolarHBondContact O-CB 3.28Å; L133-K137 WeakPolarHBondContact O-CG 3.44Å; L133-K137 PolarHBondContact O-N 3.44Å |
| 134 | E | 78.8 | Confident | 73.6 | Confident | 142 Ų | 142 | 113.6 Ų | 113.6 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.6 | -37.9 | 174.2 | -76.4 | -172.9 | 170.9 | 0 | 0 | 111.8 | L130 K137 K138 | L130-E134 WeakPolarHBondContact O-CG 3.48Å; L130-E134 PolarHBondContact O-N 3.48Å; E134-K137 PolarHBondContact O-N 2.98Å; E134-K138 VanDerWaalsContact O-CB 3.28Å; E134-K138 WeakPolarHBondContact O-CB 3.4Å; E134-K138 PolarHBondContact O-N 3.05Å |
| 135 | K | 77.8 | Confident | 75 | Confident | 150 Ų | 150 | 109.3 Ų | 109.3 | 65% | 0.652 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.7 | -44 | 174.2 | -169 | -179.9 | 177.3 | -172.9 | 0 | 111.8 | A131 E132 L133 K138 E139 | A131-K135 WeakPolarHBondContact O-CB 3.44Å; A131-K135 PolarHBondContact O-N 3.44Å; A131-K135 VanDerWaalsContact O-N 3.1Å; E132-K135 WeakPolarHBondContact O-CB 3.43Å; E132-K135 PolarHBondContact O-N 2.9Å; L133-K135 VanDerWaalsContact C-N 3.32Å; K135-K138 PolarHBondContact O-N 3.24Å; K135-E139 WeakPolarHBondContact O-CB 3.5Å; K135-E139 PolarHBondContact O-N 2.88Å |
| 136 | I | 74.3 | Confident | 76.2 | Confident | 76 Ų | 76 | 111.6 Ų | 111.6 | 39% | 0.39 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.4 | -40.7 | 177.2 | -67.1 | 166.6 | 0 | 0 | 0 | 111.4 | E132 L133 E139 R140 | E132-I136 HydrophobicContact CG-CD1 4.37Å; E132-I136 WeakPolarHBondContact O-CG1 3.28Å; E132-I136 PolarHBondContact O-N 3.31Å; L133-I136 PolarHBondContact O-N 3.11Å; I136-E139 PolarHBondContact O-N 3.47Å; I136-R140 WeakPolarHBondContact O-CB 3.46Å; I136-R140 PolarHBondContact O-N 3.49Å |
| 137 | K | 79.8 | Confident | 77.4 | Confident | 152 Ų | 152 | 114 Ų | 114 | 66% | 0.661 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.3 | -41.1 | 175.3 | -78.9 | 179.6 | 179.1 | 174.1 | 0 | 111.6 | L133 E134 A141 | L133-K137 WeakPolarHBondContact O-CB 3.28Å; L133-K137 WeakPolarHBondContact O-CG 3.44Å; L133-K137 PolarHBondContact O-N 3.44Å; E134-K137 PolarHBondContact O-N 2.98Å; K137-A141 VanDerWaalsContact O-CB 3.29Å; K137-A141 WeakPolarHBondContact O-CB 3.34Å; K137-A141 PolarHBondContact O-N 3.01Å |
| 138 | K | 83.8 | Confident | 78.5 | Confident | 155 Ų | 155 | 117.5 Ų | 117.5 | 67% | 0.674 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.9 | -42.9 | 177.2 | -171.7 | 176.5 | 179.1 | 179.9 | 0 | 111.9 | E134 K135 A141 E142 | E134-K138 VanDerWaalsContact O-CB 3.28Å; E134-K138 WeakPolarHBondContact O-CB 3.4Å; E134-K138 PolarHBondContact O-N 3.05Å; K135-K138 PolarHBondContact O-N 3.24Å; K138-A141 PolarHBondContact O-N 3.4Å; K138-E142 PolarHBondContact O-N 3.3Å |
| 139 | E | 81.9 | Confident | 79.5 | Confident | 129 Ų | 129 | 121.5 Ų | 121.5 | 60% | 0.603 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.5 | -44.3 | 176.8 | -173.8 | 176.7 | -169.8 | 0 | 0 | 111.8 | K135 I136 A141 E142 E143 | K135-E139 WeakPolarHBondContact O-CB 3.5Å; K135-E139 PolarHBondContact O-N 2.88Å; I136-E139 PolarHBondContact O-N 3.47Å; E139-A141 PolarHBondContact O-N 3.22Å; E139-E142 PolarHBondContact O-N 2.94Å; E139-E143 PolarHBondContact O-N 2.86Å |
| 140 | R | 80.1 | Confident | 80.7 | Confident | 184 Ų | 184 | 122.6 Ų | 122.6 | 69% | 0.694 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.4 | -39.9 | 174.4 | -94.3 | -169.2 | 179.9 | 158.9 | 2.7 | 113.1 | I136 E142 E143 Q144 | I136-R140 WeakPolarHBondContact O-CB 3.46Å; I136-R140 PolarHBondContact O-N 3.49Å; R140-E142 VanDerWaalsContact C-N 3.32Å; R140-E143 PolarHBondContact O-N 3.43Å; R140-Q144 WeakPolarHBondContact O-CB 3.29Å; R140-Q144 PolarHBondContact O-N 3.36Å |
| 141 | A | 82.6 | Confident | 81.4 | Confident | 59 Ų | 59 | 122.2 Ų | 122.2 | 49% | 0.488 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.1 | -38.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K137 K138 E139 A145 | K137-A141 VanDerWaalsContact O-CB 3.29Å; K137-A141 WeakPolarHBondContact O-CB 3.34Å; K137-A141 PolarHBondContact O-N 3.01Å; K138-A141 PolarHBondContact O-N 3.4Å; E139-A141 PolarHBondContact O-N 3.22Å; A141-A145 VanDerWaalsContact O-CB 3.28Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 3.17Å |
| 142 | E | 83.1 | Confident | 82 | Confident | 141 Ų | 141 | 125.7 Ų | 125.7 | 66% | 0.659 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.1 | -41.7 | 176 | -171.5 | 172.1 | -174.2 | 0 | 0 | 112.2 | K138 E139 R140 A145 R146 | K138-E142 PolarHBondContact O-N 3.3Å; E139-E142 PolarHBondContact O-N 2.94Å; R140-E142 VanDerWaalsContact C-N 3.32Å; E142-A145 PolarHBondContact O-N 2.86Å; E142-R146 WeakPolarHBondContact O-CB 3.07Å; E142-R146 PolarHBondContact O-N 2.93Å |
| 143 | E | 79.9 | Confident | 82.8 | Confident | 125 Ų | 125 | 122.9 Ų | 122.9 | 58% | 0.584 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.7 | -42.2 | 176 | -170.5 | 179.4 | -162.1 | 0 | 0 | 111.9 | E139 R140 R146 K147 | E139-E143 PolarHBondContact O-N 2.86Å; R140-E143 PolarHBondContact O-N 3.43Å; E143-R146 PolarHBondContact O-N 3.01Å; E143-K147 WeakPolarHBondContact O-CB 3.5Å; E143-K147 PolarHBondContact O-N 3.46Å |
| 144 | Q | 84.8 | Confident | 83.3 | Confident | 137 Ų | 137 | 122.7 Ų | 122.7 | 64% | 0.64 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.2 | -42.7 | 176.4 | -172.5 | 170.5 | -6.8 | 0 | 0 | 111.5 | R140 R146 K147 E148 | R140-Q144 WeakPolarHBondContact O-CB 3.29Å; R140-Q144 PolarHBondContact O-N 3.36Å; Q144-R146 VanDerWaalsContact C-N 3.35Å; Q144-R146 PolarHBondContact O-N 2.95Å; Q144-K147 PolarHBondContact O-N 3.46Å; Q144-E148 WeakPolarHBondContact O-CB 3.38Å; Q144-E148 PolarHBondContact O-N 2.95Å |
| 145 | A | 86.3 | Confident | 83.7 | Confident | 47 Ų | 47 | 122.1 Ų | 122.1 | 39% | 0.388 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.7 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A141 E142 Q149 | A141-A145 VanDerWaalsContact O-CB 3.28Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 3.17Å; E142-A145 PolarHBondContact O-N 2.86Å; A145-Q149 WeakPolarHBondContact O-CG 3.42Å; A145-Q149 PolarHBondContact O-N 3.4Å; A145-Q149 VanDerWaalsContact O-N 3.08Å |
| 146 | R | 85 | Confident | 84 | Confident | 168 Ų | 168 | 120.4 Ų | 120.4 | 63% | 0.634 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.7 | -42.9 | 175.8 | -162 | -171.8 | 83 | -165.9 | 0.9 | 111.6 | E142 E143 Q144 Q149 E150 | E142-R146 WeakPolarHBondContact O-CB 3.07Å; E142-R146 PolarHBondContact O-N 2.93Å; E143-R146 PolarHBondContact O-N 3.01Å; Q144-R146 VanDerWaalsContact C-N 3.35Å; Q144-R146 PolarHBondContact O-N 2.95Å; R146-Q149 PolarHBondContact O-N 3.32Å; R146-E150 PolarHBondContact O-N 3.48Å |
| 147 | K | 84.8 | Confident | 84.5 | Confident | 128 Ų | 128 | 122.7 Ų | 122.7 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.1 | -39.1 | 179.3 | -170.1 | 175.7 | -178.7 | 178.6 | 0 | 112.2 | E143 Q144 E150 Q151 | E143-K147 WeakPolarHBondContact O-CB 3.5Å; E143-K147 PolarHBondContact O-N 3.46Å; Q144-K147 PolarHBondContact O-N 3.46Å; K147-E150 PolarHBondContact O-N 3.38Å; K147-Q151 WeakPolarHBondContact O-CB 3.41Å; K147-Q151 WeakPolarHBondContact O-CG 3.12Å; K147-Q151 PolarHBondContact O-N 2.94Å |
| 148 | E | 87.3 | Confident | 84.6 | Confident | 132 Ų | 132 | 119 Ų | 119 | 62% | 0.617 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | 176.7 | -167.4 | 177.8 | 169.5 | 0 | 0 | 111.7 | Q144 Q151 K152 | Q144-E148 WeakPolarHBondContact O-CB 3.38Å; Q144-E148 PolarHBondContact O-N 2.95Å; E148-Q151 PolarHBondContact O-N 3Å; E148-K152 VanDerWaalsContact O-CB 3.3Å; E148-K152 WeakPolarHBondContact O-CB 3.47Å; E148-K152 PolarHBondContact O-N 3.35Å |
| 149 | Q | 85.3 | Confident | 84.6 | Confident | 145 Ų | 145 | 119.8 Ų | 119.8 | 68% | 0.678 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.9 | -41.8 | 172.8 | -74.7 | 179.8 | 4.9 | 0 | 0 | 112.6 | A145 R146 K152 A153 | A145-Q149 WeakPolarHBondContact O-CG 3.42Å; A145-Q149 PolarHBondContact O-N 3.4Å; A145-Q149 VanDerWaalsContact O-N 3.08Å; R146-Q149 PolarHBondContact O-N 3.32Å; Q149-K152 PolarHBondContact O-N 3.01Å; Q149-A153 WeakPolarHBondContact O-CB 3.32Å; Q149-A153 PolarHBondContact O-N 2.97Å |
| 150 | E | 86.5 | Confident | 84.4 | Confident | 130 Ų | 130 | 120 Ų | 120 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.4 | -43 | 177.4 | -171 | 177.3 | -177.9 | 0 | 0 | 111.8 | R146 K147 A153 E154 | R146-E150 PolarHBondContact O-N 3.48Å; K147-E150 PolarHBondContact O-N 3.38Å; E150-A153 PolarHBondContact O-N 3.25Å; E150-E154 PolarHBondContact O-N 2.82Å |
| 151 | Q | 86.7 | Confident | 84.5 | Confident | 102 Ų | 102 | 116.1 Ų | 116.1 | 48% | 0.477 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.6 | -44.9 | 175.5 | -74.1 | -179.8 | 4.5 | 0 | 0 | 111.8 | K147 E148 A153 E154 E155 | K147-Q151 WeakPolarHBondContact O-CB 3.41Å; K147-Q151 WeakPolarHBondContact O-CG 3.12Å; K147-Q151 PolarHBondContact O-N 2.94Å; E148-Q151 PolarHBondContact O-N 3Å; Q151-A153 VanDerWaalsContact C-N 3.3Å; Q151-A153 PolarHBondContact O-N 3.41Å; Q151-E154 PolarHBondContact O-N 3.45Å; Q151-E155 WeakPolarHBondContact O-CB 3.47Å; Q151-E155 WeakPolarHBondContact O-CG 3.48Å; Q151-E155 PolarHBondContact O-N 3.37Å |
| 152 | K | 87.7 | Confident | 84.2 | Confident | 132 Ų | 132 | 118 Ų | 118 | 57% | 0.574 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63 | -37.3 | 177.3 | -170.4 | 174.8 | -179.6 | 177.5 | 0 | 112.2 | E148 Q149 E156 | E148-K152 VanDerWaalsContact O-CB 3.3Å; E148-K152 WeakPolarHBondContact O-CB 3.47Å; E148-K152 PolarHBondContact O-N 3.35Å; Q149-K152 PolarHBondContact O-N 3.01Å; K152-E156 WeakPolarHBondContact O-CB 3.07Å; K152-E156 WeakPolarHBondContact O-CG 3.23Å; K152-E156 PolarHBondContact O-N 3.3Å |
| 153 | A | 88.6 | Confident | 83.9 | Confident | 58 Ų | 58 | 116.5 Ų | 116.5 | 48% | 0.479 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q149 E150 Q151 E156 R157 | Q149-A153 WeakPolarHBondContact O-CB 3.32Å; Q149-A153 PolarHBondContact O-N 2.97Å; E150-A153 PolarHBondContact O-N 3.25Å; Q151-A153 VanDerWaalsContact C-N 3.3Å; Q151-A153 PolarHBondContact O-N 3.41Å; A153-E156 PolarHBondContact O-N 2.78Å; A153-R157 WeakPolarHBondContact O-CB 3.44Å; A153-R157 PolarHBondContact O-N 2.77Å |
| 154 | E | 84.7 | Confident | 83.4 | Confident | 84 Ų | 84 | 117.4 Ų | 117.4 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.9 | -39.3 | 176.9 | -168.8 | 62.2 | -149.6 | 0 | 0 | 111.4 | E150 Q151 R157 I158 | E150-E154 PolarHBondContact O-N 2.82Å; Q151-E154 PolarHBondContact O-N 3.45Å; E154-R157 WeakPolarHBondContact O-CB 3.39Å; E154-R157 PolarHBondContact O-N 3Å; E154-R157 IonicContact OE1-CZ 2.73Å; E154-R157 VanDerWaalsContact OE1-CZ 3.24Å; E154-R157 IonicContact OE1-NE 3.28Å; E154-R157 PolarHBondContact OE1-NE 3.09Å; E154-R157 IonicContact OE1-NH2 3.22Å; E154-R157 PolarHBondContact OE1-NH2 2.94Å; E154-R157 IonicContact OE2-NE 2.68Å; E154-R157 PolarHBondContact OE2-NE 3.33Å; E154-I158 HydrophobicContact CG-CD1 4.08Å; E154-I158 VanDerWaalsContact O-CG1 3.29Å; E154-I158 WeakPolarHBondContact O-CG1 3.29Å; E154-I158 PolarHBondContact O-N 3.29Å |
| 155 | E | 85.8 | Confident | 82.6 | Confident | 131 Ų | 131 | 113.7 Ų | 113.7 | 61% | 0.612 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.2 | -41.5 | 173.3 | -75.7 | -178.6 | -176.1 | 0 | 0 | 111.9 | Q151 I158 R159 | Q151-E155 WeakPolarHBondContact O-CB 3.47Å; Q151-E155 WeakPolarHBondContact O-CG 3.48Å; Q151-E155 PolarHBondContact O-N 3.37Å; E155-I158 PolarHBondContact O-N 3.11Å; E155-R159 WeakPolarHBondContact O-CB 3.21Å; E155-R159 PolarHBondContact O-N 3.1Å |
| 156 | E | 84.1 | Confident | 81.7 | Confident | 113 Ų | 113 | 114 Ų | 114 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.2 | -37.4 | 172.9 | -79 | -176.4 | -176.9 | 0 | 0 | 112 | K152 A153 R159 M160 | K152-E156 WeakPolarHBondContact O-CB 3.07Å; K152-E156 WeakPolarHBondContact O-CG 3.23Å; K152-E156 PolarHBondContact O-N 3.3Å; A153-E156 PolarHBondContact O-N 2.78Å; E156-R159 PolarHBondContact O-N 2.95Å; E156-M160 WeakPolarHBondContact O-CB 3.36Å; E156-M160 WeakPolarHBondContact O-CG 3.44Å; E156-M160 PolarHBondContact O-N 3.09Å |
| 157 | R | 85.8 | Confident | 80.8 | Confident | 124 Ų | 124 | 109 Ų | 109 | 47% | 0.468 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 174.4 | -167.3 | -172.9 | 79.1 | 84.1 | 4.3 | 111.4 | A153 E154 R159 M160 E161 | A153-R157 WeakPolarHBondContact O-CB 3.44Å; A153-R157 PolarHBondContact O-N 2.77Å; E154-R157 WeakPolarHBondContact O-CB 3.39Å; E154-R157 PolarHBondContact O-N 3Å; E154-R157 IonicContact OE1-CZ 2.73Å; E154-R157 VanDerWaalsContact OE1-CZ 3.24Å; E154-R157 IonicContact OE1-NE 3.28Å; E154-R157 PolarHBondContact OE1-NE 3.09Å; E154-R157 IonicContact OE1-NH2 3.22Å; E154-R157 PolarHBondContact OE1-NH2 2.94Å; E154-R157 IonicContact OE2-NE 2.68Å; E154-R157 PolarHBondContact OE2-NE 3.33Å; R157-R159 VanDerWaalsContact C-N 3.31Å; R157-R159 PolarHBondContact O-N 3.46Å; R157-M160 PolarHBondContact O-N 3.23Å; R157-E161 IonicContact NH1-OE2 2.88Å; R157-E161 PolarHBondContact NH1-OE2 2.73Å; R157-E161 WeakPolarHBondContact O-CB 3.35Å; R157-E161 PolarHBondContact O-N 2.88Å |
| 158 | I | 82.8 | Confident | 79.9 | Confident | 76 Ų | 76 | 106.9 Ų | 106.9 | 39% | 0.39 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 177.8 | -66.2 | 166.4 | 0 | 0 | 0 | 110.3 | E154 E155 E161 N162 | E154-I158 HydrophobicContact CG-CD1 4.08Å; E154-I158 VanDerWaalsContact O-CG1 3.29Å; E154-I158 WeakPolarHBondContact O-CG1 3.29Å; E154-I158 PolarHBondContact O-N 3.29Å; E155-I158 PolarHBondContact O-N 3.11Å; I158-E161 PolarHBondContact O-N 2.68Å; I158-N162 WeakPolarHBondContact O-CB 3.34Å; I158-N162 PolarHBondContact O-N 3.4Å |
| 159 | R | 82.4 | Confident | 78.7 | Confident | 171 Ų | 171 | 107 Ų | 107 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 177.5 | -173.8 | 173.2 | -179 | -94.9 | -0.9 | 111.7 | E155 E156 R157 N162 I163 | E155-R159 WeakPolarHBondContact O-CB 3.21Å; E155-R159 PolarHBondContact O-N 3.1Å; E156-R159 PolarHBondContact O-N 2.95Å; R157-R159 VanDerWaalsContact C-N 3.31Å; R157-R159 PolarHBondContact O-N 3.46Å; R159-N162 PolarHBondContact O-N 3.07Å; R159-I163 HydrophobicContact CG-CD1 4.05Å; R159-I163 VanDerWaalsContact O-CG1 3.25Å; R159-I163 WeakPolarHBondContact O-CG1 3.33Å; R159-I163 PolarHBondContact O-N 3.43Å |
| 160 | M | 79.1 | Confident | 77.5 | Confident | 133 Ų | 133 | 105.3 Ų | 105.3 | 66% | 0.655 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.5 | -41.5 | 174.3 | -72.4 | -163.9 | -52.7 | 0 | 0 | 112 | E156 R157 N162 I163 L164 | E156-M160 WeakPolarHBondContact O-CB 3.36Å; E156-M160 WeakPolarHBondContact O-CG 3.44Å; E156-M160 PolarHBondContact O-N 3.09Å; R157-M160 PolarHBondContact O-N 3.23Å; M160-N162 VanDerWaalsContact C-N 3.34Å; M160-N162 PolarHBondContact O-N 3Å; M160-I163 PolarHBondContact O-N 3.08Å; M160-L164 WeakPolarHBondContact O-CB 3.5Å; M160-L164 PolarHBondContact O-N 2.94Å |
| 161 | E | 80.4 | Confident | 76 | Confident | 103 Ų | 103 | 104.6 Ų | 104.6 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 176.3 | -173.3 | 172 | -177.6 | 0 | 0 | 111.6 | R157 I158 L164 S165 | R157-E161 IonicContact NH1-OE2 2.88Å; R157-E161 PolarHBondContact NH1-OE2 2.73Å; R157-E161 WeakPolarHBondContact O-CB 3.35Å; R157-E161 PolarHBondContact O-N 2.88Å; I158-E161 PolarHBondContact O-N 2.68Å; E161-L164 PolarHBondContact O-N 3.29Å; E161-S165 VanDerWaalsContact O-CB 3.28Å; E161-S165 WeakPolarHBondContact O-CB 3.48Å; E161-S165 PolarHBondContact O-N 3.3Å; E161-S165 PolarHBondContact O-OG 3.34Å |
| 162 | N | 78.3 | Confident | 74.6 | Confident | 99 Ų | 99 | 105.4 Ų | 105.4 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.5 | -35.1 | 175.5 | -80.4 | -13.1 | 0 | 0 | 0 | 113.3 | I158 R159 M160 G166 | I158-N162 WeakPolarHBondContact O-CB 3.34Å; I158-N162 PolarHBondContact O-N 3.4Å; R159-N162 PolarHBondContact O-N 3.07Å; M160-N162 VanDerWaalsContact C-N 3.34Å; M160-N162 PolarHBondContact O-N 3Å; N162-G166 WeakPolarHBondContact O-CA 3.28Å; N162-G166 PolarHBondContact O-N 3.49Å |
| 163 | I | 75.6 | Confident | 72.9 | Confident | 109 Ų | 109 | 105.1 Ų | 105.1 | 56% | 0.559 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.8 | -36.8 | 174.6 | -69 | 165.4 | 0 | 0 | 0 | 110.5 | R159 M160 | R159-I163 HydrophobicContact CG-CD1 4.05Å; R159-I163 VanDerWaalsContact O-CG1 3.25Å; R159-I163 WeakPolarHBondContact O-CG1 3.33Å; R159-I163 PolarHBondContact O-N 3.43Å; M160-I163 PolarHBondContact O-N 3.08Å |
| 164 | L | 69.1 | Low | 71.3 | Confident | 143 Ų | 143 | 104.3 Ų | 104.3 | 75% | 0.749 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -73.2 | -40.9 | 179.1 | -163.1 | 74 | 0 | 0 | 0 | 112.3 | M160 E161 | M160-L164 WeakPolarHBondContact O-CB 3.5Å; M160-L164 PolarHBondContact O-N 2.94Å; E161-L164 PolarHBondContact O-N 3.29Å |
| 165 | S | 68.1 | Low | 69.8 | Low | 60 Ų | 60 | 106.7 Ų | 106.7 | 42% | 0.42 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -87.6 | -19.2 | 179.4 | 64.3 | 0 | 0 | 0 | 0 | 114.1 | E161 N167 N171 | E161-S165 VanDerWaalsContact O-CB 3.28Å; E161-S165 WeakPolarHBondContact O-CB 3.48Å; E161-S165 PolarHBondContact O-N 3.3Å; E161-S165 PolarHBondContact O-OG 3.34Å; S165-N167 PolarHBondContact O-N 3.35Å; S165-N171 PolarHBondContact O-ND2 2.7Å; S165-N171 VanDerWaalsContact O-ND2 3.09Å |
| 166 | G | 67.5 | Low | 68.1 | Low | 52 Ų | 52 | 105.2 Ų | 105.2 | 54% | 0.536 | 58% | 0.577 | S | S | . | * | trans | -81.3 | 8.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N162 P168 | N162-G166 WeakPolarHBondContact O-CA 3.28Å; N162-G166 PolarHBondContact O-N 3.49Å; G166-P168 WeakPolarHBondContact O-CD 3.45Å | ||
| 167 | N | 67.1 | Low | 66.5 | Low | 64 Ų | 64 | 106.2 Ų | 106.2 | 34% | 0.342 | 58% | 0.582 | S | S | . | * | trans | -82.2 | 102.4 | 171 | -170.1 | -15.3 | 0 | 0 | 0 | 109.8 | S165 L169 L170 | S165-N167 PolarHBondContact O-N 3.35Å; N167-L169 PolarHBondContact O-N 3.4Å; N167-L169 WeakPolarHBondContact OD1-CB 3.42Å; N167-L169 PolarHBondContact OD1-N 3.23Å; N167-L170 HydrophobicContact CB-CB 4.24Å; N167-L170 HydrophobicContact CB-CD1 3.95Å; N167-L170 HydrophobicContact CB-CG 4.23Å; N167-L170 WeakPolarHBondContact ND2-CD1 3.4Å; N167-L170 PolarHBondContact O-N 3.36Å; N167-L170 VanDerWaalsContact O-N 3.13Å | ||
| 168 | P | 66 | Low | 64.8 | Low | 83 Ų | 83 | 106 Ų | 106 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | -29.3 | -179.8 | 26.3 | -34.5 | 0 | 0 | 0 | 111.4 | G166 L170 N171 L172 | G166-P168 WeakPolarHBondContact O-CD 3.45Å; P168-L170 VanDerWaalsContact C-N 3.33Å; P168-L170 PolarHBondContact O-N 3.35Å; P168-N171 PolarHBondContact O-N 3.35Å; P168-L172 WeakPolarHBondContact O-CD1 3.29Å |
| 169 | L | 61.5 | Low | 63.3 | Low | 136 Ų | 136 | 108.5 Ų | 108.5 | 71% | 0.712 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -23.4 | 179.9 | -85.3 | 80.4 | 0 | 0 | 0 | 113.9 | N167 | N167-L169 PolarHBondContact O-N 3.4Å; N167-L169 WeakPolarHBondContact OD1-CB 3.42Å; N167-L169 PolarHBondContact OD1-N 3.23Å |
| 170 | L | 59.4 | Low | 61.6 | Low | 108 Ų | 108 | 105.5 Ų | 105.5 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -19.5 | 177 | -72.3 | 171.6 | 0 | 0 | 0 | 112.7 | N167 P168 T173 | N167-L170 HydrophobicContact CB-CB 4.24Å; N167-L170 HydrophobicContact CB-CD1 3.95Å; N167-L170 HydrophobicContact CB-CG 4.23Å; N167-L170 WeakPolarHBondContact ND2-CD1 3.4Å; N167-L170 PolarHBondContact O-N 3.36Å; N167-L170 VanDerWaalsContact O-N 3.13Å; P168-L170 VanDerWaalsContact C-N 3.33Å; P168-L170 PolarHBondContact O-N 3.35Å; L170-T173 PolarHBondContact O-OG1 3.13Å |
| 171 | N | 56.3 | Low | 60.2 | Low | 115 Ų | 115 | 105 Ų | 105 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -86.8 | -4.9 | 175.6 | -66.5 | -22.3 | 0 | 0 | 0 | 113.3 | S165 P168 | S165-N171 PolarHBondContact O-ND2 2.7Å; S165-N171 VanDerWaalsContact O-ND2 3.09Å; P168-N171 PolarHBondContact O-N 3.35Å |
| 172 | L | 56 | Low | 58.9 | Low | 120 Ų | 120 | 109.9 Ų | 109.9 | 63% | 0.628 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -83.5 | -12.3 | 176.1 | -94.2 | 87.1 | 0 | 0 | 0 | 114.2 | P168 | P168-L172 WeakPolarHBondContact O-CD1 3.29Š|
| 173 | T | 53.6 | Low | 58.2 | Low | 126 Ų | 126 | 113.8 Ų | 113.8 | 77% | 0.773 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -95.1 | 5.6 | -179 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | L170 | L170-T173 PolarHBondContact O-OG1 3.13Š|
| 174 | G | 54 | Low | 57.7 | Low | 40 Ų | 40 | 113.7 Ų | 113.7 | 41% | 0.412 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -80.6 | 154.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S176 | G174-S176 VanDerWaalsContact C-N 3.32Å; G174-S176 PolarHBondContact O-N 3.44Å |
| 175 | P | 53.1 | Low | 57.6 | Low | 135 Ų | 135 | 116.9 Ų | 116.9 | 88% | 0.877 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -64.7 | 69.7 | -148.1 | 29.6 | -38.4 | 0 | 0 | 0 | 116.1 | Q177 | P175-Q177 VanDerWaalsContact C-N 3.31Š|
| 176 | S | 51.1 | Low | 58 | Low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | trans | -92.1 | 16.1 | 167.9 | 79.8 | 0 | 0 | 0 | 0 | 113.2 | G174 | G174-S176 VanDerWaalsContact C-N 3.32Å; G174-S176 PolarHBondContact O-N 3.44Å | ||
| 177 | Q | 50.7 | Low | 58.4 | Low | 133 Ų | 133 | 126 Ų | 126 | 62% | 0.621 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -74.8 | 134.8 | 162.1 | -80.3 | -79.2 | -28.2 | 0 | 0 | 109.4 | P175 Q179 | P175-Q177 VanDerWaalsContact C-N 3.31Å; Q177-Q179 HydrophobicContact CB-CG 3.98Å; Q177-Q179 PolarHBondContact O-N 2.78Å |
| 178 | P | 50 | Low | 59.3 | Low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | trans | -73.3 | 62.4 | 167.4 | 33.7 | -33 | 0 | 0 | 0 | 109 | A180 | P178-A180 PolarHBondContact O-N 2.91Š| ||
| 179 | Q | 51.4 | Low | 60.2 | Low | 127 Ų | 127 | 131.6 Ų | 131.6 | 59% | 0.593 | 68% | 0.681 | S | S | * | * | trans | -65.6 | 127.3 | 163.6 | -66.8 | -64.9 | -42.7 | 0 | 0 | 106.3 | Q177 N181 | Q177-Q179 HydrophobicContact CB-CG 3.98Å; Q177-Q179 PolarHBondContact O-N 2.78Å; Q179-N181 PolarHBondContact O-N 3.43Å; Q179-N181 PolarHBondContact O-ND2 2.77Å | ||
| 180 | A | 45.8 | Very low | 61.1 | Low | 108 Ų | 108 | 129.7 Ų | 129.7 | 89% | 0.893 | 67% | 0.672 | S | S | * | * | trans | -56 | 78.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | P178 | P178-A180 PolarHBondContact O-N 2.91Š| ||
| 181 | N | 48.8 | Very low | 62.4 | Low | 124 Ų | 124 | 130 Ų | 130 | 66% | 0.663 | 67% | 0.674 | S | S | * | * | trans | -87.7 | 117.3 | -177.9 | -77.6 | -42.2 | 0 | 0 | 0 | 108.2 | Q179 K183 | Q179-N181 PolarHBondContact O-N 3.43Å; Q179-N181 PolarHBondContact O-ND2 2.77Å; N181-K183 HydrophobicContact CB-CB 4.41Å; N181-K183 PolarHBondContact O-N 3.42Å | ||
| 182 | F | 53.6 | Low | 63.9 | Low | 205 Ų | 205 | 127.7 Ų | 127.7 | 90% | 0.899 | 66% | 0.664 | S | S | * | * | trans | -63 | 54.1 | 164.6 | -164.8 | -97.5 | 0 | 0 | 0 | 110.4 | V184 | F182-V184 PolarHBondContact O-N 3.49Š| ||
| 183 | K | 63.4 | Low | 65.3 | Low | 181 Ų | 181 | 128.2 Ų | 128.2 | 79% | 0.787 | 67% | 0.672 | S | S | * | * | trans | -84.3 | 102.4 | -180 | -165.1 | 167.4 | -174.1 | -179.5 | 0 | 106.1 | N181 K185 | N181-K183 HydrophobicContact CB-CB 4.41Å; N181-K183 PolarHBondContact O-N 3.42Å; K183-K185 PolarHBondContact O-N 2.87Å | ||
| 184 | V | 65.5 | Low | 66.9 | Low | 107 Ų | 107 | 129.4 Ų | 129.4 | 65% | 0.648 | 67% | 0.667 | S | S | * | * | trans | -45.9 | 102.3 | 170.2 | 174.1 | 0 | 0 | 0 | 0 | 108 | F182 R186 | F182-V184 PolarHBondContact O-N 3.49Å; V184-R186 WeakPolarHBondContact CG1-O 3.37Å; V184-R186 PolarHBondContact O-N 2.86Å | ||
| 185 | K | 67.5 | Low | 68.5 | Low | 210 Ų | 210 | 132.3 Ų | 132.3 | 91% | 0.913 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -74.4 | -13.3 | -168.6 | -151.2 | 160.2 | -175.5 | 159.4 | 0 | 112.3 | K183 | K183-K185 PolarHBondContact O-N 2.87Š|
| 186 | R | 76.4 | Confident | 70 | Confident | 124 Ų | 124 | 131.8 Ų | 131.8 | 47% | 0.468 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -132.3 | 115.3 | 178.6 | -126.3 | 177.9 | 70.2 | 90.3 | -13.8 | 109.3 | V184 D190 D191 | V184-R186 WeakPolarHBondContact CG1-O 3.37Å; V184-R186 PolarHBondContact O-N 2.86Å; R186-D190 HydrophobicContact CG-CB 4.07Å; R186-D190 WeakPolarHBondContact CG-OD2 3.47Å; R186-D190 IonicContact NH1-OD2 3.79Å; R186-D190 PolarHBondContact NH1-OD2 2.94Å; R186-D191 IonicContact CZ-OD2 3.13Å; R186-D191 IonicContact NH1-OD2 3.64Å; R186-D191 IonicContact NH2-OD2 2.7Å; R186-D191 PolarHBondContact NH2-OD2 2.87Å |
| 187 | R | 75.8 | Confident | 71.6 | Confident | 179 Ų | 179 | 131.6 Ų | 131.6 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | trans | -64.8 | 146.8 | 171.7 | -63.4 | 177.4 | 66.8 | 117.6 | 0.1 | 108 | D189 D190 | R187-D189 PolarHBondContact O-N 2.97Å; R187-D189 VanDerWaalsContact O-N 3.14Å; R187-D190 WeakPolarHBondContact O-CB 3.3Å; R187-D190 PolarHBondContact O-N 2.96Å | ||
| 188 | W | 84.8 | Confident | 73.1 | Confident | 212 Ų | 212 | 128.7 Ų | 128.7 | 80% | 0.803 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -31.1 | 174.1 | 68.7 | -83.7 | 0 | 0 | 0 | 111.9 | D190 | W188-D190 VanDerWaalsContact C-N 3.3Å; W188-D190 PolarHBondContact O-N 3.28Å |
| 189 | D | 85.1 | Confident | 74.7 | Confident | 52 Ų | 52 | 131.4 Ų | 131.4 | 28% | 0.278 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | -9.6 | 175.2 | -69.7 | -47.7 | 0 | 0 | 0 | 114.7 | R187 D191 K195 | R187-D189 PolarHBondContact O-N 2.97Å; R187-D189 VanDerWaalsContact O-N 3.14Å; D189-D191 PolarHBondContact O-N 3.4Å; D189-K195 WeakPolarHBondContact O-CE 3.42Å; D189-K195 PolarHBondContact O-NZ 3.32Å |
| 190 | D | 81.5 | Confident | 76 | Confident | 96 Ų | 96 | 127.1 Ų | 127.1 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -37.3 | -166.5 | -169 | 41.7 | 0 | 0 | 0 | 112.5 | R186 R187 W188 V192 K195 | R186-D190 HydrophobicContact CG-CB 4.07Å; R186-D190 WeakPolarHBondContact CG-OD2 3.47Å; R186-D190 IonicContact NH1-OD2 3.79Å; R186-D190 PolarHBondContact NH1-OD2 2.94Å; R187-D190 WeakPolarHBondContact O-CB 3.3Å; R187-D190 PolarHBondContact O-N 2.96Å; W188-D190 VanDerWaalsContact C-N 3.3Å; W188-D190 PolarHBondContact O-N 3.28Å; D190-V192 PolarHBondContact O-N 3.5Å; D190-K195 PolarHBondContact O-NZ 3.16Å |
| 191 | D | 85.6 | Confident | 77.5 | Confident | 115 Ų | 115 | 125.2 Ų | 125.2 | 62% | 0.615 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -7.7 | -175.8 | -137.6 | -19.4 | 0 | 0 | 0 | 116 | R186 D189 V193 | R186-D191 IonicContact CZ-OD2 3.13Å; R186-D191 IonicContact NH1-OD2 3.64Å; R186-D191 IonicContact NH2-OD2 2.7Å; R186-D191 PolarHBondContact NH2-OD2 2.87Å; D189-D191 PolarHBondContact O-N 3.4Å; D191-V193 PolarHBondContact O-N 2.97Å; D191-V193 VanDerWaalsContact O-N 3.13Å |
| 192 | V | 87.3 | Confident | 78.8 | Confident | 67 Ų | 67 | 124.1 Ų | 124.1 | 41% | 0.406 | 62% | 0.615 | S | S | . | * | trans | -72.5 | 112.3 | -174.1 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | D190 F194 K195 | D190-V192 PolarHBondContact O-N 3.5Å; V192-F194 WeakPolarHBondContact CG1-O 3.36Å; V192-F194 PolarHBondContact O-N 2.93Å; V192-F194 VanDerWaalsContact O-N 3.09Å; V192-K195 HydrophobicContact CB-CD 4.22Å; V192-K195 WeakPolarHBondContact O-CD 3.39Å; V192-K195 VanDerWaalsContact O-CE 3.27Å; V192-K195 WeakPolarHBondContact O-CE 3.48Å; V192-K195 PolarHBondContact O-NZ 3.14Å | ||
| 193 | V | 86.6 | Confident | 79.7 | Confident | 131 Ų | 131 | 118.8 Ų | 118.8 | 79% | 0.794 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -59.9 | -22.9 | 179.5 | -66.4 | 0 | 0 | 0 | 0 | 113.8 | D191 | D191-V193 PolarHBondContact O-N 2.97Å; D191-V193 VanDerWaalsContact O-N 3.13Å |
| 194 | F | 86.9 | Confident | 80 | Confident | 150 Ų | 150 | 117.9 Ų | 117.9 | 66% | 0.658 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -113.7 | 108.5 | 178.6 | -68 | -60 | 0 | 0 | 0 | 110.9 | V192 | V192-F194 WeakPolarHBondContact CG1-O 3.36Å; V192-F194 PolarHBondContact O-N 2.93Å; V192-F194 VanDerWaalsContact O-N 3.09Å |
| 195 | K | 86.6 | Confident | 80.1 | Confident | 101 Ų | 101 | 120.5 Ų | 120.5 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | trans | -101.2 | 136.6 | 174.4 | -54 | -55.2 | -163.2 | -140 | 0 | 110.1 | D189 D190 V192 C197 | D189-K195 WeakPolarHBondContact O-CE 3.42Å; D189-K195 PolarHBondContact O-NZ 3.32Å; D190-K195 PolarHBondContact O-NZ 3.16Å; V192-K195 HydrophobicContact CB-CD 4.22Å; V192-K195 WeakPolarHBondContact O-CD 3.39Å; V192-K195 VanDerWaalsContact O-CE 3.27Å; V192-K195 WeakPolarHBondContact O-CE 3.48Å; V192-K195 PolarHBondContact O-NZ 3.14Å; K195-C197 VanDerWaalsContact C-N 3.26Å; K195-C197 PolarHBondContact O-N 3.25Å; K195-C197 VanDerWaalsContact O-N 3.1Å | ||
| 196 | N | 84.7 | Confident | 80.1 | Confident | 125 Ų | 125 | 116.8 Ų | 116.8 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 56.2 | 28.6 | 166.8 | -61.1 | 67.2 | 0 | 0 | 0 | 116 | A198 K199 | N196-A198 PolarHBondContact O-N 3.39Å; N196-K199 HydrophobicContact CB-CB 4.18Å; N196-K199 VanDerWaalsContact O-CB 3.32Å; N196-K199 WeakPolarHBondContact O-CB 3.43Å; N196-K199 PolarHBondContact O-N 2.88Å |
| 197 | C | 84.8 | Confident | 79.9 | Confident | 95 Ų | 95 | 112.9 Ų | 112.9 | 64% | 0.642 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -23.5 | -177.8 | -63.8 | 0 | 0 | 0 | 0 | 114.9 | K195 | K195-C197 VanDerWaalsContact C-N 3.26Å; K195-C197 PolarHBondContact O-N 3.25Å; K195-C197 VanDerWaalsContact O-N 3.1Å |
| 198 | A | 82.3 | Confident | 80 | Confident | 73 Ų | 73 | 114.4 Ų | 114.4 | 60% | 0.603 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -3.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | N196 G200 V201 | N196-A198 PolarHBondContact O-N 3.39Å; A198-G200 PolarHBondContact O-N 2.9Å; A198-G200 VanDerWaalsContact O-N 3.14Å; A198-V201 WeakPolarHBondContact O-CG2 3.44Å; A198-V201 PolarHBondContact O-N 3.35Å; A198-V201 VanDerWaalsContact O-N 3.16Å |
| 199 | K | 83.3 | Confident | 80.1 | Confident | 178 Ų | 178 | 112.6 Ų | 112.6 | 77% | 0.774 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 115.8 | -177.1 | -170.4 | 164.8 | 179.9 | -168.6 | 0 | 109.6 | N196 | N196-K199 HydrophobicContact CB-CB 4.18Å; N196-K199 VanDerWaalsContact O-CB 3.32Å; N196-K199 WeakPolarHBondContact O-CB 3.43Å; N196-K199 PolarHBondContact O-N 2.88Å |
| 200 | G | 79 | Confident | 80.3 | Confident | 37 Ų | 37 | 118.8 Ų | 118.8 | 38% | 0.381 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 97.9 | -4.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A198 D202 D203 | A198-G200 PolarHBondContact O-N 2.9Å; A198-G200 VanDerWaalsContact O-N 3.14Å; G200-D202 VanDerWaalsContact C-N 3.25Å; G200-D202 PolarHBondContact O-N 3.23Å; G200-D203 PolarHBondContact O-N 2.83Å |
| 201 | V | 77.5 | Confident | 80.8 | Confident | 67 Ų | 67 | 116.7 Ų | 116.7 | 41% | 0.406 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.6 | -32.1 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | A198 D203 Q204 K205 | A198-V201 WeakPolarHBondContact O-CG2 3.44Å; A198-V201 PolarHBondContact O-N 3.35Å; A198-V201 VanDerWaalsContact O-N 3.16Å; V201-D203 VanDerWaalsContact C-N 3.25Å; V201-D203 PolarHBondContact O-N 3.48Å; V201-Q204 PolarHBondContact O-N 3.1Å; V201-K205 PolarHBondContact O-N 3.46Å |
| 202 | D | 76.1 | Confident | 81.2 | Confident | 102 Ų | 102 | 118.4 Ų | 118.4 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.1 | -29.3 | 178 | -68.4 | -32.9 | 0 | 0 | 0 | 112.7 | G200 K205 K206 | G200-D202 VanDerWaalsContact C-N 3.25Å; G200-D202 PolarHBondContact O-N 3.23Å; D202-K205 PolarHBondContact O-N 3.39Å; D202-K206 VanDerWaalsContact O-CG 3.23Å; D202-K206 WeakPolarHBondContact O-CG 3.32Å; D202-K206 PolarHBondContact O-N 2.71Å |
| 203 | D | 73.7 | Confident | 81.6 | Confident | 93 Ų | 93 | 117.5 Ų | 117.5 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -75.8 | -29.8 | -179.9 | -60.9 | -33.8 | 0 | 0 | 0 | 111.7 | G200 V201 K206 D207 | G200-D203 PolarHBondContact O-N 2.83Å; V201-D203 VanDerWaalsContact C-N 3.25Å; V201-D203 PolarHBondContact O-N 3.48Å; D203-K206 PolarHBondContact O-N 2.87Å; D203-K206 IonicContact OD1-NZ 3.56Å; D203-K206 PolarHBondContact OD1-NZ 2.94Å; D203-D207 PolarHBondContact O-N 3.07Å |
| 204 | Q | 68.1 | Low | 81.9 | Confident | 161 Ų | 161 | 116.8 Ų | 116.8 | 75% | 0.752 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.5 | -36.8 | 171.5 | -65.2 | -132.1 | -22.3 | 0 | 0 | 112.5 | V201 K206 D207 | V201-Q204 PolarHBondContact O-N 3.1Å; Q204-K206 VanDerWaalsContact C-N 3.25Å; Q204-K206 PolarHBondContact O-N 3.44Å; Q204-D207 PolarHBondContact O-N 3.3Å |
| 205 | K | 69 | Low | 82.2 | Confident | 163 Ų | 163 | 114.9 Ų | 114.9 | 71% | 0.709 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.4 | -22.6 | 176 | -68.2 | 179 | -179.8 | 176 | 0 | 113 | V201 D202 | V201-K205 PolarHBondContact O-N 3.46Å; D202-K205 PolarHBondContact O-N 3.39Å |
| 206 | K | 67.3 | Low | 82.4 | Confident | 132 Ų | 132 | 117.3 Ų | 117.3 | 57% | 0.574 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -87.5 | -11.8 | 179.3 | -70.2 | 170.1 | -157.1 | 160.7 | 0 | 113.7 | D202 D203 Q204 K208 | D202-K206 VanDerWaalsContact O-CG 3.23Å; D202-K206 WeakPolarHBondContact O-CG 3.32Å; D202-K206 PolarHBondContact O-N 2.71Å; D203-K206 PolarHBondContact O-N 2.87Å; D203-K206 IonicContact OD1-NZ 3.56Å; D203-K206 PolarHBondContact OD1-NZ 2.94Å; Q204-K206 VanDerWaalsContact C-N 3.25Å; Q204-K206 PolarHBondContact O-N 3.44Å; K206-K208 WeakPolarHBondContact O-CG 3.32Å; K206-K208 PolarHBondContact O-N 3.39Å |
| 207 | D | 71.4 | Confident | 82.7 | Confident | 41 Ų | 41 | 113 Ų | 113 | 22% | 0.219 | 57% | 0.57 | C | S | . | * | trans | -64.4 | 96 | 177.9 | -94.7 | -3.8 | 0 | 0 | 0 | 109.5 | R81 D203 Q204 R209 | R81-D207 IonicContact CZ-OD1 2.9Å; R81-D207 IonicContact NH1-OD1 3.4Å; R81-D207 PolarHBondContact NH1-OD1 2.77Å; R81-D207 IonicContact NH2-OD1 3.76Å; R81-D207 PolarHBondContact NH2-OD1 3.47Å; R81-D207 IonicContact NH2-OD2 2.86Å; D203-D207 PolarHBondContact O-N 3.07Å; Q204-D207 PolarHBondContact O-N 3.3Å; D207-R209 HydrophobicContact CB-CG 4.25Å; D207-R209 PolarHBondContact O-N 2.98Å; D207-R209 IonicContact OD2-CZ 2.77Å; D207-R209 VanDerWaalsContact OD2-CZ 3.28Å; D207-R209 IonicContact OD2-NE 3.42Å; D207-R209 PolarHBondContact OD2-NE 2.86Å; D207-R209 VanDerWaalsContact OD2-NE 3.13Å; D207-R209 IonicContact OD2-NH2 3.49Å; D207-R209 PolarHBondContact OD2-NH2 3.5Å | ||
| 208 | K | 79.1 | Confident | 83 | Confident | 211 Ų | 211 | 113.2 Ų | 113.2 | 92% | 0.917 | 56% | 0.561 | S | S | * | * | trans | -71.6 | 58.4 | 177.6 | -61.6 | 177.4 | -173.8 | 176.7 | 0 | 110.9 | K206 | K206-K208 WeakPolarHBondContact O-CG 3.32Å; K206-K208 PolarHBondContact O-N 3.39Å | ||
| 209 | R | 86.5 | Confident | 83.4 | Confident | 175 Ų | 175 | 116.8 Ų | 116.8 | 66% | 0.66 | 56% | 0.563 | S | S | * | * | trans | -83 | 120.8 | 176.8 | -63.4 | 178.3 | -165.8 | -165.6 | 4.5 | 108.5 | D207 | D207-R209 HydrophobicContact CB-CG 4.25Å; D207-R209 PolarHBondContact O-N 2.98Å; D207-R209 IonicContact OD2-CZ 2.77Å; D207-R209 VanDerWaalsContact OD2-CZ 3.28Å; D207-R209 IonicContact OD2-NE 3.42Å; D207-R209 PolarHBondContact OD2-NE 2.86Å; D207-R209 VanDerWaalsContact OD2-NE 3.13Å; D207-R209 IonicContact OD2-NH2 3.49Å; D207-R209 PolarHBondContact OD2-NH2 3.5Å | ||
| 210 | F | 89.9 | Confident | 84 | Confident | 181 Ų | 181 | 110.6 Ų | 110.6 | 79% | 0.794 | 54% | 0.537 | S | S | * | . | trans | -80.2 | 132.4 | 169.2 | 176.1 | -102.1 | 0 | 0 | 0 | 109.6 | N212 | F210-N212 HydrophobicContact CE1-CB 3.99Å; F210-N212 HydrophobicContact CZ-CB 4.46Å | ||
| 211 | V | 91.5 | Very high | 84.6 | Confident | 53 Ų | 53 | 114 Ų | 114 | 32% | 0.321 | 54% | 0.542 | S | S | . | . | trans | -119 | 123 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 107.3 | D213 R216 | V211-D213 HydrophobicContact CG1-CB 3.85Å; V211-D213 PolarHBondContact O-N 3.14Å; V211-R216 HydrophobicContact CG1-CB 4.36Å | ||
| 212 | N | 94 | Very high | 85.3 | Confident | 151 Ų | 151 | 117.3 Ų | 117.3 | 81% | 0.807 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -76.8 | 57.9 | 174 | -171.4 | 21 | 0 | 0 | 0 | 111.1 | F210 | F210-N212 HydrophobicContact CE1-CB 3.99Å; F210-N212 HydrophobicContact CZ-CB 4.46Å |
| 213 | D | 94.7 | Very high | 86.2 | Confident | 48 Ų | 48 | 116.6 Ų | 116.6 | 26% | 0.257 | 54% | 0.543 | S | S | . | . | trans | -155.3 | 120.5 | 177.7 | -174.6 | -33.9 | 0 | 0 | 0 | 108.3 | V211 L215 R216 S217 | V211-D213 HydrophobicContact CG1-CB 3.85Å; V211-D213 PolarHBondContact O-N 3.14Å; D213-L215 VanDerWaalsContact C-N 3.31Å; D213-L215 PolarHBondContact O-N 2.55Å; D213-L215 PolarHBondContact OD1-N 3.45Å; D213-R216 HydrophobicContact CB-CB 4.13Å; D213-R216 PolarHBondContact OD1-N 3.28Å; D213-R216 IonicContact OD2-CZ 2.71Å; D213-R216 VanDerWaalsContact OD2-CZ 3.22Å; D213-R216 IonicContact OD2-NE 3Å; D213-R216 PolarHBondContact OD2-NE 3.13Å; D213-R216 IonicContact OD2-NH2 3.57Å; D213-R216 PolarHBondContact OD2-NH2 3.42Å; D213-S217 WeakPolarHBondContact O-CB 3.28Å; D213-S217 PolarHBondContact O-N 3.05Å; D213-S217 VanDerWaalsContact O-N 3.09Å | ||
| 214 | T | 93.6 | Very high | 87.3 | Confident | 115 Ų | 115 | 115.1 Ų | 115.1 | 71% | 0.706 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25.3 | -175.3 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | H220 | T214-H220 WeakPolarHBondContact O-CB 3.25Š|
| 215 | L | 93.2 | Very high | 88.6 | Confident | 111 Ų | 111 | 113.7 Ų | 113.7 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -28.4 | -178.9 | -58.4 | -178 | 0 | 0 | 0 | 112.2 | D213 H220 | D213-L215 VanDerWaalsContact C-N 3.31Å; D213-L215 PolarHBondContact O-N 2.55Å; D213-L215 PolarHBondContact OD1-N 3.45Å; L215-H220 VanDerWaalsContact CD2-CE1 3.47Å; L215-H220 WeakPolarHBondContact CD2-CE1 3.16Å; L215-H220 PolarHBondContact O-CD2 2.71Å |
| 216 | R | 90.7 | Very high | 89.8 | Confident | 152 Ų | 152 | 112.8 Ų | 112.8 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -8.7 | 177 | -70 | -173.1 | -68.2 | 138.1 | 5 | 114.2 | V211 D213 K221 | V211-R216 HydrophobicContact CG1-CB 4.36Å; D213-R216 HydrophobicContact CB-CB 4.13Å; D213-R216 PolarHBondContact OD1-N 3.28Å; D213-R216 IonicContact OD2-CZ 2.71Å; D213-R216 VanDerWaalsContact OD2-CZ 3.22Å; D213-R216 IonicContact OD2-NE 3Å; D213-R216 PolarHBondContact OD2-NE 3.13Å; D213-R216 IonicContact OD2-NH2 3.57Å; D213-R216 PolarHBondContact OD2-NH2 3.42Å; R216-K221 WeakPolarHBondContact O-CE 3.35Å |
| 217 | S | 91.7 | Very high | 91.3 | Very high | 35 Ų | 35 | 113.3 Ų | 113.3 | 25% | 0.245 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -56.7 | 140.8 | 175.3 | 179 | 0 | 0 | 0 | 0 | 111.4 | D213 F219 H220 K221 | D213-S217 WeakPolarHBondContact O-CB 3.28Å; D213-S217 PolarHBondContact O-N 3.05Å; D213-S217 VanDerWaalsContact O-N 3.09Å; S217-F219 PolarHBondContact O-N 2.68Å; S217-F219 VanDerWaalsContact O-N 3.17Å; S217-F219 PolarHBondContact OG-N 3.37Å; S217-H220 PolarHBondContact O-N 3.32Å; S217-K221 PolarHBondContact O-N 3.27Å; S217-K221 VanDerWaalsContact O-N 3.11Å |
| 218 | E | 90.3 | Very high | 92.3 | Very high | 98 Ų | 98 | 117.7 Ų | 117.7 | 46% | 0.458 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -55.4 | -30.9 | 172.4 | -69.8 | -58.3 | 123.6 | 0 | 0 | 112 | K221 K222 | E218-K221 IonicContact OE1-NZ 3.24Å; E218-K221 PolarHBondContact OE1-NZ 3.36Å; E218-K222 WeakPolarHBondContact O-CB 3.38Å; E218-K222 WeakPolarHBondContact O-CG 3.38Å; E218-K222 PolarHBondContact O-N 3.29Å; E218-K222 VanDerWaalsContact O-N 3.09Å |
| 219 | F | 92 | Very high | 92.2 | Very high | 149 Ų | 149 | 118.1 Ų | 118.1 | 65% | 0.654 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | 172.8 | 173.6 | -96.9 | 0 | 0 | 0 | 111.8 | S217 K222 F223 | S217-F219 PolarHBondContact O-N 2.68Å; S217-F219 VanDerWaalsContact O-N 3.17Å; S217-F219 PolarHBondContact OG-N 3.37Å; F219-K222 PolarHBondContact O-N 3.09Å; F219-F223 WeakPolarHBondContact O-CB 3.15Å; F219-F223 PolarHBondContact O-N 2.89Å |
| 220 | H | 93.9 | Very high | 92.5 | Very high | 47 Ų | 47 | 115.3 Ų | 115.3 | 22% | 0.218 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -69.4 | -39.8 | -178.1 | -173.4 | 85 | 0 | 0 | 0 | 112 | T214 L215 S217 K222 F223 M224 | T214-H220 WeakPolarHBondContact O-CB 3.25Å; L215-H220 VanDerWaalsContact CD2-CE1 3.47Å; L215-H220 WeakPolarHBondContact CD2-CE1 3.16Å; L215-H220 PolarHBondContact O-CD2 2.71Å; S217-H220 PolarHBondContact O-N 3.32Å; H220-K222 PolarHBondContact O-N 2.9Å; H220-F223 WeakPolarHBondContact O-CB 3.18Å; H220-F223 PolarHBondContact O-N 2.67Å; H220-M224 WeakPolarHBondContact CE1-CE 3.05Å; H220-M224 WeakPolarHBondContact NE2-CE 3.1Å; H220-M224 WeakPolarHBondContact O-CG 3.45Å; H220-M224 PolarHBondContact O-N 3.09Å |
| 221 | K | 91.9 | Very high | 92.7 | Very high | 110 Ų | 110 | 111.8 Ų | 111.8 | 48% | 0.478 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57 | -48.8 | 173 | -63.8 | 178.6 | -170.6 | 168.3 | 0 | 111.5 | R216 S217 E218 F223 M224 E225 | R216-K221 WeakPolarHBondContact O-CE 3.35Å; S217-K221 PolarHBondContact O-N 3.27Å; S217-K221 VanDerWaalsContact O-N 3.11Å; E218-K221 IonicContact OE1-NZ 3.24Å; E218-K221 PolarHBondContact OE1-NZ 3.36Å; K221-F223 VanDerWaalsContact C-N 3.35Å; K221-F223 PolarHBondContact O-N 3.35Å; K221-M224 PolarHBondContact O-N 2.82Å; K221-E225 WeakPolarHBondContact O-CB 3.2Å; K221-E225 PolarHBondContact O-N 2.67Å |
| 222 | K | 92.8 | Very high | 92.7 | Very high | 136 Ų | 136 | 115.1 Ų | 115.1 | 59% | 0.591 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -37.2 | 176.4 | -72.5 | 177.4 | -177.9 | 179.2 | 0 | 112.8 | E218 F219 H220 K226 | E218-K222 WeakPolarHBondContact O-CB 3.38Å; E218-K222 WeakPolarHBondContact O-CG 3.38Å; E218-K222 PolarHBondContact O-N 3.29Å; E218-K222 VanDerWaalsContact O-N 3.09Å; F219-K222 PolarHBondContact O-N 3.09Å; H220-K222 PolarHBondContact O-N 2.9Å; K222-K226 WeakPolarHBondContact O-CB 3.27Å; K222-K226 PolarHBondContact O-N 2.91Å |
| 223 | F | 95.3 | Very high | 92.6 | Very high | 87 Ų | 87 | 113 Ų | 113 | 38% | 0.382 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 175.6 | 175.5 | -87 | 0 | 0 | 0 | 111 | F219 H220 K221 K226 Y227 | F219-F223 WeakPolarHBondContact O-CB 3.15Å; F219-F223 PolarHBondContact O-N 2.89Å; H220-F223 WeakPolarHBondContact O-CB 3.18Å; H220-F223 PolarHBondContact O-N 2.67Å; K221-F223 VanDerWaalsContact C-N 3.35Å; K221-F223 PolarHBondContact O-N 3.35Å; F223-K226 PolarHBondContact O-N 3.13Å; F223-Y227 HydrophobicContact CD1-CD2 4.35Å; F223-Y227 AromaticContact CD2-CD2 3.47Å; F223-Y227 HydrophobicContact CD2-CD2 3.47Å; F223-Y227 VanDerWaalsContact CD2-CD2 3.47Å; F223-Y227 AromaticContact CD2-CE2 3.53Å; F223-Y227 HydrophobicContact CD2-CE2 3.53Å; F223-Y227 HydrophobicContact CE1-CD2 4.3Å; F223-Y227 AromaticContact CE2-CD2 3.39Å; F223-Y227 HydrophobicContact CE2-CD2 3.39Å; F223-Y227 AromaticContact CE2-CE2 3.53Å; F223-Y227 HydrophobicContact CE2-CE2 3.53Å; F223-Y227 HydrophobicContact CE2-CG 4.42Å; F223-Y227 AromaticContact CG-CD2 3.96Å; F223-Y227 HydrophobicContact CG-CD2 3.96Å; F223-Y227 HydrophobicContact CG-CE2 4.39Å; F223-Y227 AromaticContact CZ-CD2 3.83Å; F223-Y227 HydrophobicContact CZ-CD2 3.83Å; F223-Y227 HydrophobicContact CZ-CE2 4.38Å; F223-Y227 VanDerWaalsContact O-CD2 3.29Å; F223-Y227 WeakPolarHBondContact O-CD2 2.89Å; F223-Y227 PolarHBondContact O-N 2.77Å |
| 224 | M | 96.4 | Very high | 92.5 | Very high | 61 Ų | 61 | 117.1 Ų | 117.1 | 30% | 0.3 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 178.7 | -65.1 | -55.9 | 165.1 | 0 | 0 | 112.2 | H220 K221 K226 I228 K229 | H220-M224 WeakPolarHBondContact CE1-CE 3.05Å; H220-M224 WeakPolarHBondContact NE2-CE 3.1Å; H220-M224 WeakPolarHBondContact O-CG 3.45Å; H220-M224 PolarHBondContact O-N 3.09Å; K221-M224 PolarHBondContact O-N 2.82Å; M224-K226 VanDerWaalsContact C-N 3.26Å; M224-K226 PolarHBondContact O-N 3.39Å; M224-I228 HydrophobicContact CE-CD1 4.45Å; M224-I228 WeakPolarHBondContact O-CB 3.42Å; M224-I228 PolarHBondContact O-N 3.18Å; M224-I228 HydrophobicContact SD-CD1 3.21Å; M224-I228 WeakPolarHBondContact SD-CD1 3.16Å; M224-I228 HydrophobicContact SD-CG1 3.94Å; M224-K229 PolarHBondContact O-N 3.4Å |
| 225 | E | 94.7 | Very high | 92.4 | Very high | 131 Ų | 131 | 117.2 Ų | 117.2 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -31.4 | 174.1 | -173.3 | 173.9 | -158.3 | 0 | 0 | 112.8 | K221 | K221-E225 WeakPolarHBondContact O-CB 3.2Å; K221-E225 PolarHBondContact O-N 2.67Å |
| 226 | K | 96.2 | Very high | 92.4 | Very high | 144 Ų | 144 | 117.6 Ų | 117.6 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -82.8 | -37.4 | -179.5 | -175.5 | 179 | 179.5 | -166.8 | 0 | 113.9 | K222 F223 M224 | K222-K226 WeakPolarHBondContact O-CB 3.27Å; K222-K226 PolarHBondContact O-N 2.91Å; F223-K226 PolarHBondContact O-N 3.13Å; M224-K226 VanDerWaalsContact C-N 3.26Å; M224-K226 PolarHBondContact O-N 3.39Å |
| 227 | Y | 96.9 | Very high | 92.5 | Very high | 144 Ų | 144 | 115 Ų | 115 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -111 | -13.5 | -167.9 | -64.8 | -66.1 | 0 | 0 | 0 | 114.7 | F223 | F223-Y227 HydrophobicContact CD1-CD2 4.35Å; F223-Y227 AromaticContact CD2-CD2 3.47Å; F223-Y227 HydrophobicContact CD2-CD2 3.47Å; F223-Y227 VanDerWaalsContact CD2-CD2 3.47Å; F223-Y227 AromaticContact CD2-CE2 3.53Å; F223-Y227 HydrophobicContact CD2-CE2 3.53Å; F223-Y227 HydrophobicContact CE1-CD2 4.3Å; F223-Y227 AromaticContact CE2-CD2 3.39Å; F223-Y227 HydrophobicContact CE2-CD2 3.39Å; F223-Y227 AromaticContact CE2-CE2 3.53Å; F223-Y227 HydrophobicContact CE2-CE2 3.53Å; F223-Y227 HydrophobicContact CE2-CG 4.42Å; F223-Y227 AromaticContact CG-CD2 3.96Å; F223-Y227 HydrophobicContact CG-CD2 3.96Å; F223-Y227 HydrophobicContact CG-CE2 4.39Å; F223-Y227 AromaticContact CZ-CD2 3.83Å; F223-Y227 HydrophobicContact CZ-CD2 3.83Å; F223-Y227 HydrophobicContact CZ-CE2 4.38Å; F223-Y227 VanDerWaalsContact O-CD2 3.29Å; F223-Y227 WeakPolarHBondContact O-CD2 2.89Å; F223-Y227 PolarHBondContact O-N 2.77Å |
| 228 | I | 92.5 | Very high | 92.6 | Very high | 132 Ų | 132 | 121.7 Ų | 121.7 | 68% | 0.677 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -39.6 | 179.8 | -56.8 | -168.7 | 0 | 0 | 0 | 111.9 | M224 | M224-I228 HydrophobicContact CE-CD1 4.45Å; M224-I228 WeakPolarHBondContact O-CB 3.42Å; M224-I228 PolarHBondContact O-N 3.18Å; M224-I228 HydrophobicContact SD-CD1 3.21Å; M224-I228 WeakPolarHBondContact SD-CD1 3.16Å; M224-I228 HydrophobicContact SD-CG1 3.94Å |
| 229 | K | 78.3 | Confident | 92.8 | Very high | 221 Ų | 221 | 123.8 Ų | 123.8 | 96% | 0.961 | 55% | 0.551 | S | S | * | * | trans | -93.3 | 0 | -176.9 | -163.7 | 173.4 | -177.1 | 179.2 | 0 | 111.7 | M224 | M224-K229 PolarHBondContact O-N 3.4Š|
Retrieved 229 of 229 residues in 33 ms
(Link to these results)