| 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 | 48.8 | Very low | 61.1 | Low | 244 Ų | 244 | 129.6 Ų | 129.6 | 100% | 1.202 | 67% | 0.668 | S | S | * | * | 0 | 128.9 | 0 | -80.5 | 170.7 | 156.1 | 0 | 0 | 107.6 | |||||
| 2 | N | 62.1 | Low | 60.3 | Low | 108 Ų | 108 | 125.6 Ų | 125.6 | 58% | 0.578 | 66% | 0.66 | S | S | * | * | trans | -82.7 | 123 | -168.4 | -169.3 | -10.6 | 0 | 0 | 0 | 111 | N4 | N2-N4 VanDerWaalsContact C-N 3.28Å; N2-N4 PolarHBondContact O-N 3.48Å; N2-N4 PolarHBondContact OD1-N 3.27Å | ||
| 3 | P | 64.1 | Low | 59.8 | Low | 101 Ų | 101 | 124.5 Ų | 124.5 | 66% | 0.656 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -25.6 | -176.7 | 24.4 | -33.9 | 0 | 0 | 0 | 114.3 | I5 K6 | P3-I5 PolarHBondContact O-N 3.01Å; P3-K6 PolarHBondContact O-N 3.36Å |
| 4 | N | 64.1 | Low | 59.4 | Low | 111 Ų | 111 | 124.4 Ų | 124.4 | 59% | 0.594 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -1.4 | -172.6 | -69 | -1.9 | 0 | 0 | 0 | 115.8 | N2 | N2-N4 VanDerWaalsContact C-N 3.28Å; N2-N4 PolarHBondContact O-N 3.48Å; N2-N4 PolarHBondContact OD1-N 3.27Å |
| 5 | I | 69.4 | Low | 58.8 | Low | 107 Ų | 107 | 121.4 Ų | 121.4 | 55% | 0.549 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -82.3 | -24.2 | 177.4 | -67.1 | 175.4 | 0 | 0 | 0 | 111.9 | P3 I9 | P3-I5 PolarHBondContact O-N 3.01Å; I5-I9 HydrophobicContact CG2-CD1 3.84Å; I5-I9 WeakPolarHBondContact O-CG1 3.46Å; I5-I9 PolarHBondContact O-N 3.32Å |
| 6 | K | 62.8 | Low | 58.1 | Low | 171 Ų | 171 | 119.3 Ų | 119.3 | 74% | 0.743 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.2 | -45.1 | -178.9 | -90.1 | -172.7 | 169.7 | -173.9 | 0 | 112.9 | P3 L8 I9 M10 | P3-K6 PolarHBondContact O-N 3.36Å; K6-L8 VanDerWaalsContact C-N 3.35Å; K6-L8 PolarHBondContact O-N 3.36Å; K6-I9 PolarHBondContact O-N 2.89Å; K6-M10 PolarHBondContact O-N 3.29Å |
| 7 | D | 65.5 | Low | 57.7 | Low | 101 Ų | 101 | 122.5 Ų | 122.5 | 54% | 0.54 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -74.4 | -29.1 | -173.3 | -54.3 | -32.8 | 0 | 0 | 0 | 112.1 | M10 N11 | D7-M10 PolarHBondContact O-N 3.44Å; D7-N11 PolarHBondContact O-N 3.03Å; D7-N11 VanDerWaalsContact O-N 3.09Å; D7-N11 PolarHBondContact O-ND2 3Å |
| 8 | L | 62.6 | Low | 57.2 | Low | 135 Ų | 135 | 122.1 Ų | 122.1 | 71% | 0.707 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.2 | -35.6 | 173.2 | -117.3 | 159.6 | 0 | 0 | 0 | 112.5 | K6 S12 | K6-L8 VanDerWaalsContact C-N 3.35Å; K6-L8 PolarHBondContact O-N 3.36Å; L8-S12 PolarHBondContact O-N 3.36Å |
| 9 | I | 59.6 | Low | 56.6 | Low | 99 Ų | 99 | 125.1 Ų | 125.1 | 51% | 0.508 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -74.3 | -37.7 | 174.5 | -66.3 | 170.6 | 0 | 0 | 0 | 110.7 | I5 K6 S12 I13 | I5-I9 HydrophobicContact CG2-CD1 3.84Å; I5-I9 WeakPolarHBondContact O-CG1 3.46Å; I5-I9 PolarHBondContact O-N 3.32Å; K6-I9 PolarHBondContact O-N 2.89Å; I9-S12 PolarHBondContact O-N 3.06Å; I9-I13 HydrophobicContact CG2-CD1 4.07Å; I9-I13 WeakPolarHBondContact O-CG1 3.49Å |
| 10 | M | 57.4 | Low | 56.2 | Low | 131 Ų | 131 | 123.5 Ų | 123.5 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -71.4 | -34.9 | -176.3 | -147.1 | 152.1 | -176 | 0 | 0 | 112.7 | K6 D7 I13 | K6-M10 PolarHBondContact O-N 3.29Å; D7-M10 PolarHBondContact O-N 3.44Å; M10-I13 PolarHBondContact O-N 3.25Å |
| 11 | N | 55.4 | Low | 55.8 | Low | 118 Ų | 118 | 122.6 Ų | 122.6 | 63% | 0.631 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.1 | -26.6 | 174.3 | -73 | -26.8 | 0 | 0 | 0 | 113.7 | D7 I13 | D7-N11 PolarHBondContact O-N 3.03Å; D7-N11 VanDerWaalsContact O-N 3.09Å; D7-N11 PolarHBondContact O-ND2 3Å; N11-I13 VanDerWaalsContact C-N 3.28Å; N11-I13 PolarHBondContact O-N 3.34Å |
| 12 | S | 52.3 | Low | 55.9 | Low | 81 Ų | 81 | 113.7 Ų | 113.7 | 57% | 0.566 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.9 | -22.3 | 174.7 | 176.2 | 0 | 0 | 0 | 0 | 113.7 | L8 I9 | L8-S12 PolarHBondContact O-N 3.36Å; I9-S12 PolarHBondContact O-N 3.06Å |
| 13 | I | 54 | Low | 55.2 | Low | 112 Ų | 112 | 113.3 Ų | 113.3 | 57% | 0.574 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -85.9 | -29 | -175.8 | -68.8 | 166.8 | 0 | 0 | 0 | 111.1 | I9 M10 N11 | I9-I13 HydrophobicContact CG2-CD1 4.07Å; I9-I13 WeakPolarHBondContact O-CG1 3.49Å; M10-I13 PolarHBondContact O-N 3.25Å; N11-I13 VanDerWaalsContact C-N 3.28Å; N11-I13 PolarHBondContact O-N 3.34Å |
| 14 | I | 53.5 | Low | 54.4 | Low | 123 Ų | 123 | 119.2 Ų | 119.2 | 63% | 0.631 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -79.2 | -22.3 | -176 | -63.8 | 170.7 | 0 | 0 | 0 | 112.3 | N16 | I14-N16 PolarHBondContact O-N 2.9Å |
| 15 | S | 50.9 | Low | 53.5 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -3.7 | -180 | 69.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 16 | N | 47.2 | Very low | 52.3 | Low | 88 Ų | 88 | 120.3 Ų | 120.3 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -103.2 | -11.8 | -170.8 | -143 | 38.8 | 0 | 0 | 0 | 114.4 | I14 T18 | I14-N16 PolarHBondContact O-N 2.9Å; N16-T18 VanDerWaalsContact C-N 3.27Å; N16-T18 PolarHBondContact O-N 3.18Å |
| 17 | E | 51 | Low | 51.7 | Low | 174 Ų | 174 | 116.7 Ų | 116.7 | 81% | 0.813 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -15.1 | 179.2 | -67.1 | -165.1 | 146.3 | 0 | 0 | 113.8 | ||
| 18 | T | 48.7 | Very low | 50.9 | Low | 114 Ų | 114 | 118.8 Ų | 118.8 | 70% | 0.699 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -15.9 | -179.6 | 47.8 | 0 | 0 | 0 | 0 | 114.6 | N16 | N16-T18 VanDerWaalsContact C-N 3.27Å; N16-T18 PolarHBondContact O-N 3.18Å |
| 19 | W | 46.6 | Very low | 50.4 | Low | 180 Ų | 180 | 117.3 Ų | 117.3 | 68% | 0.682 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -35.6 | -177.8 | -99.7 | 66.3 | 0 | 0 | 0 | 113.9 | S21 S22 | W19-S21 PolarHBondContact O-N 3.32Å; W19-S21 VanDerWaalsContact O-N 3.08Å; W19-S22 PolarHBondContact O-N 3.29Å; W19-S22 PolarHBondContact O-OG 3.29Å |
| 20 | N | 48.7 | Very low | 49.9 | Very low | 92 Ų | 92 | 120.2 Ų | 120.2 | 49% | 0.492 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.8 | -8.3 | -171.3 | -81.9 | -9.7 | 0 | 0 | 0 | 115.1 | E128 | N20-E128 PolarHBondContact ND2-OE1 2.92Š|
| 21 | S | 47.9 | Very low | 49.8 | Very low | 105 Ų | 105 | 118.2 Ų | 118.2 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -7.5 | 173.1 | -150.7 | 0 | 0 | 0 | 0 | 114 | W19 | W19-S21 PolarHBondContact O-N 3.32Å; W19-S21 VanDerWaalsContact O-N 3.08Å |
| 22 | S | 49.9 | Very low | 49.7 | Very low | 58 Ų | 58 | 116.6 Ų | 116.6 | 41% | 0.406 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.5 | -30.6 | -175.9 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | W19 W24 N25 | W19-S22 PolarHBondContact O-N 3.29Å; W19-S22 PolarHBondContact O-OG 3.29Å; S22-W24 PolarHBondContact O-N 2.85Å; S22-N25 PolarHBondContact O-N 3.32Å |
| 23 | I | 46.9 | Very low | 49.8 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 51% | 0.513 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -72.3 | -31.4 | -168.4 | -64.6 | 175.7 | 0 | 0 | 0 | 112.4 | N25 | I23-N25 VanDerWaalsContact C-N 3.31Å; I23-N25 PolarHBondContact O-N 2.86Å |
| 24 | W | 47.3 | Very low | 49.7 | Very low | 225 Ų | 225 | 119.4 Ų | 119.4 | 85% | 0.852 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -77.6 | -9.5 | 177.9 | -81.1 | 94 | 0 | 0 | 0 | 114.8 | S22 | S22-W24 PolarHBondContact O-N 2.85Š|
| 25 | N | 45.6 | Very low | 49.6 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -96 | -11 | 178.3 | -99.3 | -12.6 | 0 | 0 | 0 | 114.3 | S22 I23 S27 Q28 | S22-N25 PolarHBondContact O-N 3.32Å; I23-N25 VanDerWaalsContact C-N 3.31Å; I23-N25 PolarHBondContact O-N 2.86Å; N25-S27 PolarHBondContact O-N 3.11Å; N25-Q28 PolarHBondContact O-N 3.13Å |
| 26 | Q | 44.2 | Very low | 49.9 | Very low | 132 Ų | 132 | 120.2 Ų | 120.2 | 62% | 0.617 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.8 | -18.5 | -178.8 | -85.8 | -175.6 | -13 | 0 | 0 | 114.1 | Q28 I29 | Q26-Q28 VanDerWaalsContact C-N 3.26Å; Q26-Q28 PolarHBondContact O-N 3.37Å; Q26-I29 HydrophobicContact CG-CD1 4.5Å; Q26-I29 PolarHBondContact O-N 3.07Å |
| 27 | S | 50.1 | Low | 50.5 | Low | 94 Ų | 94 | 121.3 Ų | 121.3 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.9 | -13.7 | 177.3 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | N25 | N25-S27 PolarHBondContact O-N 3.11Å |
| 28 | Q | 49.9 | Very low | 50.8 | Low | 146 Ų | 146 | 119.1 Ų | 119.1 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -98.8 | -14.6 | 173.7 | -67.8 | -159.5 | -7.5 | 0 | 0 | 114.3 | N25 Q26 L30 S31 | N25-Q28 PolarHBondContact O-N 3.13Å; Q26-Q28 VanDerWaalsContact C-N 3.26Å; Q26-Q28 PolarHBondContact O-N 3.37Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 2.99Å; Q28-S31 PolarHBondContact O-N 3.09Å; Q28-S31 PolarHBondContact O-OG 3.31Å |
| 29 | I | 50.6 | Low | 51.1 | Low | 104 Ų | 104 | 118.6 Ų | 118.6 | 53% | 0.533 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -75.2 | -24 | -177 | -63.9 | 176.9 | 0 | 0 | 0 | 112 | Q26 S31 S32 | Q26-I29 HydrophobicContact CG-CD1 4.5Å; Q26-I29 PolarHBondContact O-N 3.07Å; I29-S31 PolarHBondContact O-N 2.9Å; I29-S32 PolarHBondContact O-OG 2.98Å |
| 30 | L | 50.1 | Low | 51.4 | Low | 159 Ų | 159 | 117.8 Ų | 117.8 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -7.6 | 175 | -88.8 | 149.3 | 0 | 0 | 0 | 114.4 | Q28 | Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 2.99Å |
| 31 | S | 54.1 | Low | 51.6 | Low | 89 Ų | 89 | 121.1 Ų | 121.1 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -4.8 | 179.7 | -0.4 | 0 | 0 | 0 | 0 | 114.7 | Q28 I29 | Q28-S31 PolarHBondContact O-N 3.09Å; Q28-S31 PolarHBondContact O-OG 3.31Å; I29-S31 PolarHBondContact O-N 2.9Å |
| 32 | S | 54.8 | Low | 52.2 | Low | 84 Ų | 84 | 121.7 Ų | 121.7 | 59% | 0.587 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -113.7 | -2.5 | -169.8 | 57.5 | 0 | 0 | 0 | 0 | 116.1 | I29 S34 | I29-S32 PolarHBondContact O-OG 2.98Å; S32-S34 VanDerWaalsContact C-N 3.27Å; S32-S34 PolarHBondContact O-N 3.49Å |
| 33 | L | 52.9 | Low | 52.4 | Low | 146 Ų | 146 | 124.5 Ų | 124.5 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | trans | -85.1 | 17 | 177.6 | -83.3 | 97.4 | 0 | 0 | 0 | 114.8 | S35 | L33-S35 PolarHBondContact O-N 3.36Š| ||
| 34 | S | 52.5 | Low | 52.6 | Low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | -88.9 | 62.5 | 179.5 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | S32 | S32-S34 VanDerWaalsContact C-N 3.27Å; S32-S34 PolarHBondContact O-N 3.49Å | ||
| 35 | S | 51.4 | Low | 53 | Low | 101 Ų | 101 | 119.7 Ų | 119.7 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | -160.7 | 145 | 161.9 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | L33 | L33-S35 PolarHBondContact O-N 3.36Š| ||
| 36 | S | 56.9 | Low | 53.1 | Low | 118 Ų | 118 | 123.9 Ų | 123.9 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | 65.2 | 135.8 | -175.8 | 75.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 37 | S | 60.6 | Low | 53.5 | Low | 110 Ų | 110 | 124.6 Ų | 124.6 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | cis | -153.5 | 156.9 | -14.2 | -83 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 38 | P | 57.4 | Low | 53.9 | Low | 128 Ų | 128 | 127.2 Ų | 127.2 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | trans | -95.9 | 127.8 | -171.3 | 35.2 | -32.6 | 0 | 0 | 0 | 114.7 | ||||
| 39 | S | 55.1 | Low | 54.3 | Low | 104 Ų | 104 | 125.6 Ų | 125.6 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -166.9 | 105.6 | 155.5 | 35.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 40 | L | 53.2 | Low | 54.9 | Low | 162 Ų | 162 | 125.4 Ų | 125.4 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | 88.6 | 129.1 | 105.2 | -81.7 | 160.5 | 0 | 0 | 0 | 114.7 | |||||
| 41 | L | 52.6 | Low | 55.6 | Low | 163 Ų | 163 | 126 Ų | 126 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | 75.1 | 82.6 | 163.8 | -57.1 | 161.5 | 0 | 0 | 0 | 118.7 | ||||
| 42 | S | 59.5 | Low | 56.4 | Low | 116 Ų | 116 | 126.4 Ų | 126.4 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | 172.7 | 145.1 | 113.9 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | S44 | S42-S44 PolarHBondContact O-N 2.99Š| |||
| 43 | P | 55.4 | Low | 57.5 | Low | 117 Ų | 117 | 125.8 Ų | 125.8 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | trans | -83.4 | 101.3 | -170.9 | 31.7 | -34 | 0 | 0 | 0 | 113.6 | S45 | P43-S45 PolarHBondContact O-N 2.77Š| ||
| 44 | S | 50.6 | Low | 59 | Low | 120 Ų | 120 | 122.6 Ų | 122.6 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | 36.1 | 78.5 | 130.7 | 63.5 | 0 | 0 | 0 | 0 | 117.9 | S42 | S42-S44 PolarHBondContact O-N 2.99Š| ||
| 45 | S | 56.6 | Low | 60.8 | Low | 104 Ų | 104 | 121.1 Ų | 121.1 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | -142.2 | 154.1 | 151.4 | 50.7 | 0 | 0 | 0 | 0 | 108.1 | P43 | P43-S45 PolarHBondContact O-N 2.77Š| ||
| 46 | F | 46.9 | Very low | 62.6 | Low | 197 Ų | 197 | 119.5 Ų | 119.5 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | 73.1 | 95.8 | -168.7 | -77 | -113.6 | 0 | 0 | 0 | 117.3 | ||||
| 47 | L | 53.5 | Low | 64.1 | Low | 147 Ų | 147 | 118 Ų | 118 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | 179.3 | 46.6 | 126.9 | -99.4 | 167.4 | 0 | 0 | 0 | 113.1 | |||||
| 48 | V | 57.5 | Low | 65.6 | Low | 149 Ų | 149 | 118.3 Ų | 118.3 | 90% | 0.903 | 68% | 0.681 | S | S | * | * | trans | -111.7 | 57 | 173.6 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 49 | V | 58 | Low | 67.4 | Low | 113 Ų | 113 | 116 Ų | 116 | 69% | 0.685 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -134.9 | -10.5 | -170.5 | -176.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 50 | T | 63 | Low | 69.2 | Low | 100 Ų | 100 | 113.2 Ų | 113.2 | 61% | 0.613 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -106 | -7.3 | -169.8 | 50.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 51 | Q | 65.5 | Low | 71 | Confident | 171 Ų | 171 | 107.2 Ų | 107.2 | 80% | 0.799 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -83.4 | -26 | -172.9 | -165.7 | 173.2 | -1.3 | 0 | 0 | 114.4 | ||
| 52 | V | 69.9 | Low | 73.1 | Confident | 97 Ų | 97 | 104 Ų | 104 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.8 | -40.4 | -174.3 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | V54 T55 | V52-V54 VanDerWaalsContact C-N 3.28Å; V52-V54 PolarHBondContact O-N 3.1Å; V52-T55 PolarHBondContact O-N 3.47Å; V52-T55 PolarHBondContact O-OG1 3.4Å |
| 53 | D | 78.2 | Confident | 74.7 | Confident | 71 Ų | 71 | 100 Ų | 100 | 38% | 0.38 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -32.1 | -175.6 | -68.5 | 4.4 | 0 | 0 | 0 | 113.3 | L57 N456 | D53-L57 PolarHBondContact O-N 3.43Å; D53-N456 PolarHBondContact OD2-ND2 3.24Å |
| 54 | V | 85.3 | Confident | 76.5 | Confident | 80 Ų | 80 | 97.2 Ų | 97.2 | 49% | 0.485 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | -177.5 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | V52 Q58 | V52-V54 VanDerWaalsContact C-N 3.28Å; V52-V54 PolarHBondContact O-N 3.1Å; V54-Q58 WeakPolarHBondContact O-CG 3.45Å; V54-Q58 PolarHBondContact O-N 3.3Å; V54-Q58 VanDerWaalsContact O-N 3.15Å |
| 55 | T | 90 | Very high | 78.5 | Confident | 75 Ų | 75 | 91.9 Ų | 91.9 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.1 | -40.4 | 179.2 | 41.8 | 0 | 0 | 0 | 0 | 112.1 | V52 Q58 V59 | V52-T55 PolarHBondContact O-N 3.47Å; V52-T55 PolarHBondContact O-OG1 3.4Å; T55-Q58 PolarHBondContact O-N 3.38Å; T55-V59 WeakPolarHBondContact O-CG2 3.05Å; T55-V59 PolarHBondContact O-N 2.8Å |
| 56 | D | 89.3 | Confident | 80.4 | Confident | 67 Ų | 67 | 92.8 Ų | 92.8 | 36% | 0.358 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.4 | -38.6 | -178.2 | -75.6 | -11.7 | 0 | 0 | 0 | 112.1 | V59 Y60 F459 Y464 | D56-V59 PolarHBondContact O-N 3.48Å; D56-Y60 WeakPolarHBondContact O-CB 3.42Å; D56-Y60 PolarHBondContact O-N 3.25Å; D56-F459 HydrophobicContact CB-CD2 4.31Å; D56-Y464 PolarHBondContact O-OH 3.44Å |
| 57 | L | 88.2 | Confident | 82.7 | Confident | 88 Ų | 88 | 87.1 Ų | 87.1 | 46% | 0.461 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 172.7 | 179.4 | 63.7 | 0 | 0 | 0 | 111.9 | D53 Y60 V61 F459 | D53-L57 PolarHBondContact O-N 3.43Å; L57-Y60 PolarHBondContact O-N 3.41Å; L57-V61 HydrophobicContact CD1-CG2 4.32Å; L57-V61 WeakPolarHBondContact O-CG2 3.39Å; L57-V61 PolarHBondContact O-N 3.18Å; L57-F459 HydrophobicContact CB-CE2 4.38Å; L57-F459 HydrophobicContact CD1-CZ 3.98Å |
| 58 | Q | 93 | Very high | 84.7 | Confident | 115 Ų | 115 | 80.2 Ų | 80.2 | 54% | 0.537 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.6 | -75.9 | -180 | 6.9 | 0 | 0 | 111.7 | V54 T55 Y60 V61 I62 | V54-Q58 WeakPolarHBondContact O-CG 3.45Å; V54-Q58 PolarHBondContact O-N 3.3Å; V54-Q58 VanDerWaalsContact O-N 3.15Å; T55-Q58 PolarHBondContact O-N 3.38Å; Q58-Y60 VanDerWaalsContact C-N 3.33Å; Q58-Y60 PolarHBondContact O-N 3.07Å; Q58-V61 PolarHBondContact O-N 3.24Å; Q58-I62 WeakPolarHBondContact O-CB 3.48Å; Q58-I62 WeakPolarHBondContact O-CD1 3.45Å; Q58-I62 VanDerWaalsContact O-CG1 3.25Å; Q58-I62 WeakPolarHBondContact O-CG1 3.44Å; Q58-I62 PolarHBondContact O-N 2.94Å |
| 59 | V | 93.6 | Very high | 86.5 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 48% | 0.479 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | T55 D56 I62 L63 Y464 | T55-V59 WeakPolarHBondContact O-CG2 3.05Å; T55-V59 PolarHBondContact O-N 2.8Å; D56-V59 PolarHBondContact O-N 3.48Å; V59-I62 PolarHBondContact O-N 3.28Å; V59-L63 WeakPolarHBondContact O-CB 3.34Å; V59-L63 PolarHBondContact O-N 2.84Å; V59-Y464 HydrophobicContact CG1-CE1 4.37Å |
| 60 | Y | 92.6 | Very high | 88.4 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 18% | 0.184 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 176.1 | 179 | -93.3 | 0 | 0 | 0 | 112.5 | D56 L57 Q58 I62 L63 K64 D463 | D56-Y60 WeakPolarHBondContact O-CB 3.42Å; D56-Y60 PolarHBondContact O-N 3.25Å; L57-Y60 PolarHBondContact O-N 3.41Å; Q58-Y60 VanDerWaalsContact C-N 3.33Å; Q58-Y60 PolarHBondContact O-N 3.07Å; Y60-I62 PolarHBondContact O-N 3.4Å; Y60-L63 PolarHBondContact O-N 3.25Å; Y60-K64 HydrophobicContact CE1-CB 4.43Å; Y60-K64 HydrophobicContact CE1-CD 3.79Å; Y60-K64 VanDerWaalsContact O-CB 3.25Å; Y60-K64 WeakPolarHBondContact O-CB 3.26Å; Y60-K64 PolarHBondContact O-N 3.14Å; Y60-D463 HydrophobicContact CE2-CB 4.15Å; Y60-D463 WeakPolarHBondContact CE2-O 3.17Å |
| 61 | V | 92.6 | Very high | 90 | Very high | 36 Ų | 36 | 69.2 Ų | 69.2 | 22% | 0.218 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 178.6 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | L57 Q58 H65 Y66 | L57-V61 HydrophobicContact CD1-CG2 4.32Å; L57-V61 WeakPolarHBondContact O-CG2 3.39Å; L57-V61 PolarHBondContact O-N 3.18Å; Q58-V61 PolarHBondContact O-N 3.24Å; V61-H65 PolarHBondContact O-CD2 3.06Å; V61-H65 PolarHBondContact O-N 3.41Å; V61-Y66 HydrophobicContact CG1-CD2 4.42Å; V61-Y66 HydrophobicContact CG1-CE2 4.08Å |
| 62 | I | 95.1 | Very high | 91.5 | Very high | 95 Ų | 95 | 61 Ų | 61 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -62.4 | -46.1 | 175.7 | -68.4 | 165.2 | 0 | 0 | 0 | 110.8 | Q58 V59 Y60 Y66 L67 | Q58-I62 WeakPolarHBondContact O-CB 3.48Å; Q58-I62 WeakPolarHBondContact O-CD1 3.45Å; Q58-I62 VanDerWaalsContact O-CG1 3.25Å; Q58-I62 WeakPolarHBondContact O-CG1 3.44Å; Q58-I62 PolarHBondContact O-N 2.94Å; V59-I62 PolarHBondContact O-N 3.28Å; Y60-I62 PolarHBondContact O-N 3.4Å; I62-Y66 PolarHBondContact O-N 2.89Å; I62-Y66 VanDerWaalsContact O-N 3.15Å; I62-L67 PolarHBondContact O-N 3.27Å |
| 63 | L | 94.6 | Very high | 92.8 | Very high | 31 Ų | 31 | 60.8 Ų | 60.8 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -68.4 | -36.2 | -178.7 | -175.3 | 65.6 | 0 | 0 | 0 | 112.9 | V59 Y60 L67 P68 Y464 P467 I468 I471 | V59-L63 WeakPolarHBondContact O-CB 3.34Å; V59-L63 PolarHBondContact O-N 2.84Å; Y60-L63 PolarHBondContact O-N 3.25Å; L63-L67 HydrophobicContact CD1-CD2 3.99Å; L63-P68 WeakPolarHBondContact O-CD 3.49Å; L63-Y464 HydrophobicContact CD2-CD1 3.95Å; L63-P467 HydrophobicContact CD2-CG 3.89Å; L63-P467 HydrophobicContact CG-CB 4.13Å; L63-P467 HydrophobicContact CG-CG 3.99Å; L63-I468 HydrophobicContact CD1-CG1 4.44Å; L63-I468 HydrophobicContact CD2-CG1 4.15Å; L63-I471 HydrophobicContact CD1-CD1 3.88Å |
| 64 | K | 93.2 | Very high | 93.7 | Very high | 60 Ų | 60 | 61.2 Ų | 61.2 | 26% | 0.261 | 32% | 0.321 | S | S | . | . | I | π-helix | trans | -80.3 | -40.7 | -178 | -175.5 | -177.8 | 165.3 | -151.2 | 0 | 113.2 | Y60 P68 D119 P467 | Y60-K64 HydrophobicContact CE1-CB 4.43Å; Y60-K64 HydrophobicContact CE1-CD 3.79Å; Y60-K64 VanDerWaalsContact O-CB 3.25Å; Y60-K64 WeakPolarHBondContact O-CB 3.26Å; Y60-K64 PolarHBondContact O-N 3.14Å; K64-P68 WeakPolarHBondContact O-CG 3.45Å; K64-D119 VanDerWaalsContact CE-OD2 3.29Å; K64-D119 WeakPolarHBondContact CE-OD2 3.27Å; K64-D119 IonicContact NZ-OD2 3.39Å; K64-D119 PolarHBondContact NZ-OD2 3.14Å; K64-P467 HydrophobicContact CB-CB 4.41Å |
| 65 | H | 93.1 | Very high | 94.3 | Very high | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.032 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -111.9 | -50.6 | -170.8 | -54.1 | -68 | 0 | 0 | 0 | 113.1 | V61 I69 D119 F120 | V61-H65 PolarHBondContact O-CD2 3.06Å; V61-H65 PolarHBondContact O-N 3.41Å; H65-I69 WeakPolarHBondContact O-CD1 3.47Å; H65-I69 VanDerWaalsContact O-CG1 3.3Å; H65-I69 WeakPolarHBondContact O-CG1 3.23Å; H65-D119 IonicContact CE1-OD1 2.91Å; H65-D119 PolarHBondContact CE1-OD1 3.32Å; H65-D119 IonicContact CE1-OD2 3.41Å; H65-D119 PolarHBondContact CE1-OD2 2.94Å; H65-D119 IonicContact ND1-OD1 2.92Å; H65-D119 PolarHBondContact ND1-OD1 2.93Å; H65-F120 HydrophobicContact CB-CB 4.3Å; H65-F120 WeakPolarHBondContact ND1-CB 3.37Å |
| 66 | Y | 94.6 | Very high | 94.6 | Very high | 123 Ų | 123 | 55.5 Ų | 55.5 | 48% | 0.482 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -76.7 | -37.4 | -171.2 | -70.4 | -92.1 | 0 | 0 | 0 | 113.3 | V61 I62 P70 F121 | V61-Y66 HydrophobicContact CG1-CD2 4.42Å; V61-Y66 HydrophobicContact CG1-CE2 4.08Å; I62-Y66 PolarHBondContact O-N 2.89Å; I62-Y66 VanDerWaalsContact O-N 3.15Å; Y66-P70 WeakPolarHBondContact O-CD 3.42Å; Y66-F121 HydrophobicContact CE1-CZ 4.37Å |
| 67 | L | 96.3 | Very high | 95 | Very high | 79 Ų | 79 | 57.1 Ų | 57.1 | 41% | 0.414 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -40.4 | -178.3 | -171.7 | 60.5 | 0 | 0 | 0 | 114.5 | I62 L63 P70 I71 I471 | I62-L67 PolarHBondContact O-N 3.27Å; L63-L67 HydrophobicContact CD1-CD2 3.99Å; L67-P70 WeakPolarHBondContact O-CD 3.43Å; L67-P70 WeakPolarHBondContact O-CG 2.84Å; L67-I71 HydrophobicContact CD1-CD1 4.32Å; L67-I71 HydrophobicContact CG-CD1 4.17Å; L67-I71 WeakPolarHBondContact O-CD1 3.33Å; L67-I71 WeakPolarHBondContact O-CG1 3.35Å; L67-I471 HydrophobicContact CD2-CD1 3.82Å; L67-I471 HydrophobicContact CG-CD1 4.17Å |
| 68 | P | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.9 | -35.4 | -176.3 | -23.9 | 37.5 | 0 | 0 | 0 | 114.2 | L63 K64 I71 F72 I471 | L63-P68 WeakPolarHBondContact O-CD 3.49Å; K64-P68 WeakPolarHBondContact O-CG 3.45Å; P68-I71 WeakPolarHBondContact O-CB 3.36Å; P68-I71 PolarHBondContact O-N 3.03Å; P68-I71 VanDerWaalsContact O-N 3.16Å; P68-F72 HydrophobicContact CB-CD2 3.95Å; P68-F72 HydrophobicContact CB-CE2 3.5Å; P68-F72 HydrophobicContact CB-CZ 4.32Å; P68-F72 WeakPolarHBondContact O-CD2 3.39Å; P68-F72 WeakPolarHBondContact O-CG 3.46Å; P68-F72 PolarHBondContact O-N 2.76Å; P68-I471 HydrophobicContact CB-CG1 4.38Å; P68-I471 HydrophobicContact CG-CD1 4.25Å; P68-I471 HydrophobicContact CG-CG1 3.91Å |
| 69 | I | 95.5 | Very high | 95.5 | Very high | 33 Ų | 33 | 48.9 Ų | 48.9 | 17% | 0.169 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.5 | -55.5 | -176.8 | -65.7 | 166.2 | 0 | 0 | 0 | 113.5 | H65 I71 F72 I73 M118 F121 | H65-I69 WeakPolarHBondContact O-CD1 3.47Å; H65-I69 VanDerWaalsContact O-CG1 3.3Å; H65-I69 WeakPolarHBondContact O-CG1 3.23Å; I69-I71 VanDerWaalsContact C-N 3.27Å; I69-I71 PolarHBondContact O-N 3.4Å; I69-F72 PolarHBondContact O-N 2.99Å; I69-I73 HydrophobicContact CG2-CD1 3.99Å; I69-I73 WeakPolarHBondContact O-CG1 3.39Å; I69-I73 PolarHBondContact O-N 3.33Å; I69-M118 HydrophobicContact CD1-SD 3.47Å; I69-M118 WeakPolarHBondContact CD1-SD 3.41Å; I69-M118 HydrophobicContact CG1-SD 3.93Å; I69-F121 HydrophobicContact CD1-CD2 4.22Å; I69-F121 HydrophobicContact CD1-CE2 3.69Å |
| 70 | P | 96.7 | Very high | 95.7 | Very high | 66 Ų | 66 | 48.3 Ų | 48.3 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.1 | -32.8 | 179.2 | 25.1 | -34.7 | 0 | 0 | 0 | 112.4 | Y66 L67 I73 V74 | Y66-P70 WeakPolarHBondContact O-CD 3.42Å; L67-P70 WeakPolarHBondContact O-CD 3.43Å; L67-P70 WeakPolarHBondContact O-CG 2.84Å; P70-I73 PolarHBondContact O-N 3.38Å; P70-V74 WeakPolarHBondContact O-CG2 3.48Å; P70-V74 PolarHBondContact O-N 3.13Å; P70-V74 VanDerWaalsContact O-N 3.1Å |
| 71 | I | 97.1 | Very high | 95.8 | Very high | 32 Ų | 32 | 48.5 Ų | 48.5 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -51 | 175.6 | -58.6 | 174.8 | 0 | 0 | 0 | 109.2 | L67 P68 I69 I73 V74 S75 I471 A474 L475 | L67-I71 HydrophobicContact CD1-CD1 4.32Å; L67-I71 HydrophobicContact CG-CD1 4.17Å; L67-I71 WeakPolarHBondContact O-CD1 3.33Å; L67-I71 WeakPolarHBondContact O-CG1 3.35Å; P68-I71 WeakPolarHBondContact O-CB 3.36Å; P68-I71 PolarHBondContact O-N 3.03Å; P68-I71 VanDerWaalsContact O-N 3.16Å; I69-I71 VanDerWaalsContact C-N 3.27Å; I69-I71 PolarHBondContact O-N 3.4Å; I71-I73 VanDerWaalsContact C-N 3.3Å; I71-I73 PolarHBondContact O-N 3.01Å; I71-V74 PolarHBondContact O-N 2.7Å; I71-V74 VanDerWaalsContact O-N 3.1Å; I71-S75 PolarHBondContact O-N 3.04Å; I71-S75 PolarHBondContact O-OG 2.92Å; I71-I471 HydrophobicContact CD1-CG2 3.77Å; I71-A474 HydrophobicContact CG2-CB 3.74Å; I71-L475 HydrophobicContact CG2-CD2 4.16Å; I71-L475 HydrophobicContact CG2-CG 4.48Å |
| 72 | F | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.2 | -40.8 | 176.3 | -71.2 | -53.7 | 0 | 0 | 0 | 113.1 | P68 I69 S75 I76 L110 L113 C114 V470 A474 | P68-F72 HydrophobicContact CB-CD2 3.95Å; P68-F72 HydrophobicContact CB-CE2 3.5Å; P68-F72 HydrophobicContact CB-CZ 4.32Å; P68-F72 WeakPolarHBondContact O-CD2 3.39Å; P68-F72 WeakPolarHBondContact O-CG 3.46Å; P68-F72 PolarHBondContact O-N 2.76Å; I69-F72 PolarHBondContact O-N 2.99Å; F72-S75 PolarHBondContact O-N 3.31Å; F72-I76 VanDerWaalsContact O-CB 3.31Å; F72-I76 WeakPolarHBondContact O-CB 3.31Å; F72-I76 WeakPolarHBondContact O-CD1 3.17Å; F72-I76 WeakPolarHBondContact O-CG1 3.3Å; F72-I76 PolarHBondContact O-N 2.78Å; F72-L110 HydrophobicContact CD1-CD2 4.04Å; F72-L110 HydrophobicContact CE1-CD2 4.2Å; F72-L113 HydrophobicContact CE1-CB 3.7Å; F72-L113 HydrophobicContact CE1-CD1 4.26Å; F72-L113 HydrophobicContact CZ-CB 3.66Å; F72-C114 HydrophobicContact CB-CB 4.16Å; F72-C114 HydrophobicContact CD2-CB 4.08Å; F72-C114 HydrophobicContact CG-CB 4.07Å; F72-V470 HydrophobicContact CE2-CG1 4.39Å; F72-V470 HydrophobicContact CZ-CG1 3.7Å; F72-A474 HydrophobicContact CD1-CB 3.84Å; F72-A474 HydrophobicContact CE1-CB 3.67Å; F72-A474 HydrophobicContact CZ-CB 4.48Å |
| 73 | I | 97 | Very high | 95.8 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 47% | 0.472 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.9 | -67.6 | 166.2 | 0 | 0 | 0 | 110.6 | I69 P70 I71 L77 | I69-I73 HydrophobicContact CG2-CD1 3.99Å; I69-I73 WeakPolarHBondContact O-CG1 3.39Å; I69-I73 PolarHBondContact O-N 3.33Å; P70-I73 PolarHBondContact O-N 3.38Å; I71-I73 VanDerWaalsContact C-N 3.3Å; I71-I73 PolarHBondContact O-N 3.01Å; I73-L77 HydrophobicContact CG2-CD1 4.16Å; I73-L77 VanDerWaalsContact O-CG 3.26Å; I73-L77 WeakPolarHBondContact O-CG 3.34Å; I73-L77 PolarHBondContact O-N 3.46Å; I73-L77 VanDerWaalsContact O-N 3.1Å |
| 74 | V | 97 | Very high | 95.7 | Very high | 80 Ų | 80 | 46.4 Ų | 46.4 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -47 | 176.1 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | P70 I71 I76 L77 C78 | P70-V74 WeakPolarHBondContact O-CG2 3.48Å; P70-V74 PolarHBondContact O-N 3.13Å; P70-V74 VanDerWaalsContact O-N 3.1Å; I71-V74 PolarHBondContact O-N 2.7Å; I71-V74 VanDerWaalsContact O-N 3.1Å; V74-I76 PolarHBondContact O-N 2.79Å; V74-L77 WeakPolarHBondContact O-CB 3.36Å; V74-L77 PolarHBondContact O-N 3.25Å; V74-C78 PolarHBondContact O-N 2.72Å |
| 75 | S | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | -178.5 | -46.2 | 0 | 0 | 0 | 0 | 112.9 | I71 F72 L77 C78 I79 A474 D478 | I71-S75 PolarHBondContact O-N 3.04Å; I71-S75 PolarHBondContact O-OG 2.92Å; F72-S75 PolarHBondContact O-N 3.31Å; S75-L77 VanDerWaalsContact C-N 3.35Å; S75-L77 PolarHBondContact O-N 3.05Å; S75-C78 PolarHBondContact O-N 3.5Å; S75-I79 WeakPolarHBondContact O-CG1 3.29Å; S75-I79 PolarHBondContact O-N 3.16Å; S75-A474 PolarHBondContact OG-O 3.5Å; S75-D478 WeakPolarHBondContact CA-OD1 3.47Å; S75-D478 WeakPolarHBondContact CB-OD1 3.15Å; S75-D478 VanDerWaalsContact OG-CG 3.29Å; S75-D478 PolarHBondContact OG-OD1 3.45Å; S75-D478 PolarHBondContact OG-OD2 2.91Å |
| 76 | I | 97.9 | Very high | 95.5 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 173.5 | -72.6 | 166.5 | 0 | 0 | 0 | 110.3 | F72 V74 C78 I79 L80 L107 L110 I111 | F72-I76 VanDerWaalsContact O-CB 3.31Å; F72-I76 WeakPolarHBondContact O-CB 3.31Å; F72-I76 WeakPolarHBondContact O-CD1 3.17Å; F72-I76 WeakPolarHBondContact O-CG1 3.3Å; F72-I76 PolarHBondContact O-N 2.78Å; V74-I76 PolarHBondContact O-N 2.79Å; I76-C78 PolarHBondContact O-N 2.77Å; I76-I79 PolarHBondContact O-N 3.33Å; I76-L80 HydrophobicContact CG2-CD1 3.88Å; I76-L80 HydrophobicContact CG2-CG 4.4Å; I76-L80 WeakPolarHBondContact O-CB 3.44Å; I76-L80 VanDerWaalsContact O-CG 3.26Å; I76-L80 WeakPolarHBondContact O-CG 3.42Å; I76-L80 PolarHBondContact O-N 3.37Å; I76-L107 HydrophobicContact CG1-CD1 4.34Å; I76-L107 HydrophobicContact CG2-CD1 3.98Å; I76-L110 HydrophobicContact CD1-CB 4.42Å; I76-L110 HydrophobicContact CG1-CB 3.92Å; I76-L110 HydrophobicContact CG1-CD1 3.98Å; I76-I111 HydrophobicContact CD1-CG1 4.17Å |
| 77 | L | 96.8 | Very high | 95.4 | Very high | 102 Ų | 102 | 43 Ų | 43 | 53% | 0.534 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63 | -41.5 | 176.1 | -70.3 | 170.4 | 0 | 0 | 0 | 112.2 | I73 V74 S75 L80 V81 | I73-L77 HydrophobicContact CG2-CD1 4.16Å; I73-L77 VanDerWaalsContact O-CG 3.26Å; I73-L77 WeakPolarHBondContact O-CG 3.34Å; I73-L77 PolarHBondContact O-N 3.46Å; I73-L77 VanDerWaalsContact O-N 3.1Å; V74-L77 WeakPolarHBondContact O-CB 3.36Å; V74-L77 PolarHBondContact O-N 3.25Å; S75-L77 VanDerWaalsContact C-N 3.35Å; S75-L77 PolarHBondContact O-N 3.05Å; L77-L80 PolarHBondContact O-N 3.03Å; L77-V81 WeakPolarHBondContact O-CB 3.44Å; L77-V81 VanDerWaalsContact O-CG2 3.31Å; L77-V81 WeakPolarHBondContact O-CG2 3.5Å; L77-V81 PolarHBondContact O-N 2.97Å |
| 78 | C | 96.4 | Very high | 95.1 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 13% | 0.128 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 175.6 | -81.4 | 0 | 0 | 0 | 0 | 112.6 | V74 S75 I76 T82 F481 | V74-C78 PolarHBondContact O-N 2.72Å; S75-C78 PolarHBondContact O-N 3.5Å; I76-C78 PolarHBondContact O-N 2.77Å; C78-T82 PolarHBondContact O-N 3.11Å; C78-T82 PolarHBondContact O-OG1 3.43Å; C78-F481 HydrophobicContact CB-CB 4.21Å; C78-F481 HydrophobicContact CB-CD1 3.85Å; C78-F481 HydrophobicContact CB-CE1 4.35Å; C78-F481 HydrophobicContact CB-CG 3.99Å; C78-F481 WeakPolarHBondContact SG-CD1 3.43Å |
| 79 | I | 96.2 | Very high | 94.6 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 173.9 | -64 | -178.6 | 0 | 0 | 0 | 111.1 | S75 I76 V81 T82 L83 A103 D106 L107 L110 | S75-I79 WeakPolarHBondContact O-CG1 3.29Å; S75-I79 PolarHBondContact O-N 3.16Å; I76-I79 PolarHBondContact O-N 3.33Å; I79-V81 PolarHBondContact O-N 3.46Å; I79-T82 CarbonylContact O-C 3.58Å; I79-T82 WeakPolarHBondContact O-CA 3.29Å; I79-T82 VanDerWaalsContact O-CB 3.28Å; I79-T82 WeakPolarHBondContact O-CB 3.38Å; I79-T82 PolarHBondContact O-N 3.39Å; I79-L83 PolarHBondContact O-N 3.41Å; I79-A103 HydrophobicContact CG2-CB 4.16Å; I79-A103 VanDerWaalsContact CG2-O 3.31Å; I79-A103 WeakPolarHBondContact CG2-O 3.5Å; I79-D106 HydrophobicContact CD1-CB 3.92Å; I79-L107 HydrophobicContact CG2-CB 4.02Å; I79-L110 HydrophobicContact CD1-CD1 3.5Å; I79-L110 VanDerWaalsContact CD1-CD1 3.5Å; I79-L110 HydrophobicContact CD1-CG 4.21Å; I79-L110 HydrophobicContact CG1-CD1 4.37Å |
| 80 | L | 96.5 | Very high | 93.8 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 178.9 | -72.9 | 171.7 | 0 | 0 | 0 | 112 | I76 L77 T82 L83 I84 L107 | I76-L80 HydrophobicContact CG2-CD1 3.88Å; I76-L80 HydrophobicContact CG2-CG 4.4Å; I76-L80 WeakPolarHBondContact O-CB 3.44Å; I76-L80 VanDerWaalsContact O-CG 3.26Å; I76-L80 WeakPolarHBondContact O-CG 3.42Å; I76-L80 PolarHBondContact O-N 3.37Å; L77-L80 PolarHBondContact O-N 3.03Å; L80-T82 VanDerWaalsContact C-N 3.29Å; L80-T82 PolarHBondContact O-N 3.08Å; L80-L83 PolarHBondContact O-N 3.1Å; L80-I84 WeakPolarHBondContact O-CB 3.34Å; L80-I84 WeakPolarHBondContact O-CD1 3.24Å; L80-I84 VanDerWaalsContact O-CG1 3.23Å; L80-I84 WeakPolarHBondContact O-CG1 3.44Å; L80-I84 PolarHBondContact O-N 3.42Å; L80-L107 HydrophobicContact CD2-CD2 4.06Å |
| 81 | V | 94.1 | Very high | 92.6 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 173.2 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | L77 I79 A85 F481 L495 | L77-V81 WeakPolarHBondContact O-CB 3.44Å; L77-V81 VanDerWaalsContact O-CG2 3.31Å; L77-V81 WeakPolarHBondContact O-CG2 3.5Å; L77-V81 PolarHBondContact O-N 2.97Å; I79-V81 PolarHBondContact O-N 3.46Å; V81-A85 VanDerWaalsContact O-CB 3.25Å; V81-A85 WeakPolarHBondContact O-CB 3.42Å; V81-A85 PolarHBondContact O-N 2.98Å; V81-F481 HydrophobicContact CG1-CE2 4.12Å; V81-F481 HydrophobicContact CG1-CZ 4.34Å; V81-L495 HydrophobicContact CG1-CD1 3.43Å; V81-L495 VanDerWaalsContact CG1-CD1 3.43Å |
| 82 | T | 93.3 | Very high | 91.6 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.3 | -51.5 | 174.5 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | C78 I79 L80 I84 A85 V86 F481 F491 | C78-T82 PolarHBondContact O-N 3.11Å; C78-T82 PolarHBondContact O-OG1 3.43Å; I79-T82 CarbonylContact O-C 3.58Å; I79-T82 WeakPolarHBondContact O-CA 3.29Å; I79-T82 VanDerWaalsContact O-CB 3.28Å; I79-T82 WeakPolarHBondContact O-CB 3.38Å; I79-T82 PolarHBondContact O-N 3.39Å; L80-T82 VanDerWaalsContact C-N 3.29Å; L80-T82 PolarHBondContact O-N 3.08Å; T82-I84 VanDerWaalsContact C-N 3.33Å; T82-I84 PolarHBondContact O-N 3.38Å; T82-A85 PolarHBondContact O-N 3.41Å; T82-V86 HydrophobicContact CG2-CG2 4.23Å; T82-V86 WeakPolarHBondContact O-CB 3.35Å; T82-V86 VanDerWaalsContact O-CG2 3.24Å; T82-V86 WeakPolarHBondContact O-CG2 3.31Å; T82-V86 PolarHBondContact O-N 3.41Å; T82-F481 WeakPolarHBondContact OG1-CD2 3.35Å; T82-F491 HydrophobicContact CG2-CE2 4.03Å; T82-F491 HydrophobicContact CG2-CZ 4.22Å |
| 83 | L | 94.5 | Very high | 91 | Very high | 38 Ų | 38 | 66.1 Ų | 66.1 | 20% | 0.199 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.1 | -43.3 | -179.6 | -172.2 | 65.7 | 0 | 0 | 0 | 111.4 | I79 L80 T87 I100 I104 | I79-L83 PolarHBondContact O-N 3.41Å; L80-L83 PolarHBondContact O-N 3.1Å; L83-T87 VanDerWaalsContact O-CB 3.23Å; L83-T87 WeakPolarHBondContact O-CB 3.29Å; L83-T87 PolarHBondContact O-N 3.01Å; L83-T87 PolarHBondContact O-OG1 2.87Å; L83-I100 HydrophobicContact CD1-CG2 3.99Å; L83-I104 HydrophobicContact CD1-CG1 4.19Å |
| 84 | I | 93.4 | Very high | 90.4 | Very high | 71 Ų | 71 | 63.3 Ų | 63.3 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -51.1 | 175.4 | -67.8 | 164.6 | 0 | 0 | 0 | 111 | L80 T82 V86 T87 Q88 I498 | L80-I84 WeakPolarHBondContact O-CB 3.34Å; L80-I84 WeakPolarHBondContact O-CD1 3.24Å; L80-I84 VanDerWaalsContact O-CG1 3.23Å; L80-I84 WeakPolarHBondContact O-CG1 3.44Å; L80-I84 PolarHBondContact O-N 3.42Å; T82-I84 VanDerWaalsContact C-N 3.33Å; T82-I84 PolarHBondContact O-N 3.38Å; I84-V86 VanDerWaalsContact C-N 3.29Å; I84-V86 PolarHBondContact O-N 3.35Å; I84-T87 PolarHBondContact O-N 2.8Å; I84-Q88 HydrophobicContact CG2-CG 4.2Å; I84-Q88 WeakPolarHBondContact O-CB 3.28Å; I84-Q88 WeakPolarHBondContact O-CG 3.48Å; I84-Q88 PolarHBondContact O-N 3.45Å; I84-I498 HydrophobicContact CG2-CD1 4.35Å |
| 85 | A | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -30.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V81 T82 R89 F491 A494 I498 | V81-A85 VanDerWaalsContact O-CB 3.25Å; V81-A85 WeakPolarHBondContact O-CB 3.42Å; V81-A85 PolarHBondContact O-N 2.98Å; T82-A85 PolarHBondContact O-N 3.41Å; A85-R89 VanDerWaalsContact O-CG 3.25Å; A85-R89 WeakPolarHBondContact O-CG 3.45Å; A85-F491 HydrophobicContact CB-CD2 4.19Å; A85-F491 HydrophobicContact CB-CE2 3.59Å; A85-F491 HydrophobicContact CB-CZ 3.91Å; A85-A494 HydrophobicContact CB-CB 4.44Å; A85-I498 HydrophobicContact CB-CD1 4Å |
| 86 | V | 91.3 | Very high | 89.8 | Confident | 25 Ų | 25 | 61 Ų | 61 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.1 | -44.9 | 173.4 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | T82 I84 R89 V96 I100 F491 | T82-V86 HydrophobicContact CG2-CG2 4.23Å; T82-V86 WeakPolarHBondContact O-CB 3.35Å; T82-V86 VanDerWaalsContact O-CG2 3.24Å; T82-V86 WeakPolarHBondContact O-CG2 3.31Å; T82-V86 PolarHBondContact O-N 3.41Å; I84-V86 VanDerWaalsContact C-N 3.29Å; I84-V86 PolarHBondContact O-N 3.35Å; V86-R89 PolarHBondContact O-N 2.97Å; V86-V96 HydrophobicContact CG1-CG1 3.37Å; V86-I100 HydrophobicContact CG1-CD1 3.9Å; V86-I100 HydrophobicContact CG1-CG1 3.56Å; V86-F491 HydrophobicContact CG2-CD2 4.4Å; V86-F491 HydrophobicContact CG2-CE2 4.15Å |
| 87 | T | 91.7 | Very high | 89.5 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.8 | -45.1 | -178.2 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | L83 I84 R89 | L83-T87 VanDerWaalsContact O-CB 3.23Å; L83-T87 WeakPolarHBondContact O-CB 3.29Å; L83-T87 PolarHBondContact O-N 3.01Å; L83-T87 PolarHBondContact O-OG1 2.87Å; I84-T87 PolarHBondContact O-N 2.8Å; T87-R89 PolarHBondContact O-N 2.97Å |
| 88 | Q | 90.3 | Very high | 89.4 | Confident | 134 Ų | 134 | 57.2 Ų | 57.2 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17 | 179.5 | -75.9 | -175.4 | -0.7 | 0 | 0 | 114.2 | I84 | I84-Q88 HydrophobicContact CG2-CG 4.2Å; I84-Q88 WeakPolarHBondContact O-CB 3.28Å; I84-Q88 WeakPolarHBondContact O-CG 3.48Å; I84-Q88 PolarHBondContact O-N 3.45Å |
| 89 | R | 84.2 | Confident | 89.3 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.7 | -170.3 | -95.8 | -80.2 | 169.5 | 67.7 | -9.8 | 114.7 | A85 V86 T87 L91 R490 A494 | A85-R89 VanDerWaalsContact O-CG 3.25Å; A85-R89 WeakPolarHBondContact O-CG 3.45Å; V86-R89 PolarHBondContact O-N 2.97Å; T87-R89 PolarHBondContact O-N 2.97Å; R89-L91 HydrophobicContact CB-CB 4.4Å; R89-L91 HydrophobicContact CB-CD1 4.09Å; R89-L91 HydrophobicContact CB-CG 4.05Å; R89-L91 HydrophobicContact CG-CD1 4.36Å; R89-L91 PolarHBondContact O-N 3.2Å; R89-R490 PolarHBondContact NH1-O 3.03Å; R89-R490 PolarHBondContact NH2-O 3.04Å; R89-A494 VanDerWaalsContact NH1-CB 3.33Å; R89-A494 VanDerWaalsContact NH2-N 3.18Å |
| 90 | G | 79.3 | Confident | 89.2 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 18.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | W92 | G90-W92 VanDerWaalsContact C-N 3.26Å; G90-W92 PolarHBondContact O-N 2.8Å |
| 91 | L | 71.6 | Confident | 89.2 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 37% | 0.366 | 29% | 0.29 | S | S | . | . | trans | -80.2 | 78.6 | -177.8 | -74.5 | 173.8 | 0 | 0 | 0 | 108.7 | R89 R93 V96 | R89-L91 HydrophobicContact CB-CB 4.4Å; R89-L91 HydrophobicContact CB-CD1 4.09Å; R89-L91 HydrophobicContact CB-CG 4.05Å; R89-L91 HydrophobicContact CG-CD1 4.36Å; R89-L91 PolarHBondContact O-N 3.2Å; L91-R93 PolarHBondContact O-N 3.1Å; L91-V96 HydrophobicContact CB-CG2 4.46Å; L91-V96 WeakPolarHBondContact O-CB 3.27Å; L91-V96 WeakPolarHBondContact O-CG2 3.43Å | ||
| 92 | W | 76.8 | Confident | 89.3 | Confident | 202 Ų | 202 | 56 Ų | 56 | 77% | 0.765 | 28% | 0.28 | S | S | * | . | trans | -63.7 | 21 | 174.5 | -61.3 | 101.9 | 0 | 0 | 0 | 114.4 | G90 T94 | G90-W92 VanDerWaalsContact C-N 3.26Å; G90-W92 PolarHBondContact O-N 2.8Å; W92-T94 PolarHBondContact O-N 3.4Å | ||
| 93 | R | 83.5 | Confident | 89.4 | Confident | 162 Ų | 162 | 56.1 Ų | 56.1 | 61% | 0.611 | 28% | 0.282 | S | S | * | . | trans | -62.9 | 128.4 | 169.3 | -177.3 | 178.1 | -68.8 | -170.6 | -3.8 | 107.9 | L91 T95 V96 | L91-R93 PolarHBondContact O-N 3.1Å; R93-T95 VanDerWaalsContact C-N 3.25Å; R93-T95 PolarHBondContact O-N 3.32Å; R93-V96 HydrophobicContact CB-CG2 4.31Å; R93-V96 WeakPolarHBondContact O-CB 3.31Å; R93-V96 WeakPolarHBondContact O-CG2 3.26Å; R93-V96 PolarHBondContact O-N 2.99Å | ||
| 94 | T | 84.9 | Confident | 89.6 | Confident | 32 Ų | 32 | 57.2 Ų | 57.2 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -46.7 | -40.2 | -171.3 | 51.7 | 0 | 0 | 0 | 0 | 115.6 | W92 V96 T97 E163 R182 | W92-T94 PolarHBondContact O-N 3.4Å; T94-V96 PolarHBondContact O-N 3.47Å; T94-T97 PolarHBondContact O-N 3.1Å; T94-E163 PolarHBondContact OG1-OE1 3.47Å; T94-R182 VanDerWaalsContact CB-CZ 3.46Å; T94-R182 VanDerWaalsContact CB-NH1 3.28Å; T94-R182 VanDerWaalsContact CG2-CZ 3.45Å; T94-R182 PolarHBondContact OG1-NH1 3.29Å |
| 95 | T | 89.3 | Confident | 89.8 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -22.4 | 179.2 | -36.7 | 0 | 0 | 0 | 0 | 114 | R93 T97 Y98 I99 I160 E163 R164 | R93-T95 VanDerWaalsContact C-N 3.25Å; R93-T95 PolarHBondContact O-N 3.32Å; T95-T97 VanDerWaalsContact C-N 3.27Å; T95-T97 PolarHBondContact O-N 3.09Å; T95-Y98 PolarHBondContact O-N 2.93Å; T95-I99 HydrophobicContact CG2-CD1 4.28Å; T95-I99 WeakPolarHBondContact O-CG1 3.16Å; T95-I99 PolarHBondContact O-N 3.29Å; T95-I99 VanDerWaalsContact O-N 3.09Å; T95-I160 HydrophobicContact CG2-CG2 4.21Å; T95-E163 VanDerWaalsContact CA-OE2 3.29Å; T95-E163 WeakPolarHBondContact CA-OE2 3.25Å; T95-E163 WeakPolarHBondContact CB-OE2 3.32Å; T95-E163 WeakPolarHBondContact CG2-OE2 3.39Å; T95-E163 VanDerWaalsContact OG1-CD 3.23Å; T95-E163 PolarHBondContact OG1-OE1 3.03Å; T95-E163 VanDerWaalsContact OG1-OE1 3.13Å; T95-E163 PolarHBondContact OG1-OE2 3.31Å; T95-R164 VanDerWaalsContact CG2-NH2 3.29Å; T95-R164 PolarHBondContact OG1-NH1 2.9Å |
| 96 | V | 91.3 | Very high | 90 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64 | -34.6 | 176.9 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | V86 L91 R93 T94 Y98 I99 I100 | V86-V96 HydrophobicContact CG1-CG1 3.37Å; L91-V96 HydrophobicContact CB-CG2 4.46Å; L91-V96 WeakPolarHBondContact O-CB 3.27Å; L91-V96 WeakPolarHBondContact O-CG2 3.43Å; R93-V96 HydrophobicContact CB-CG2 4.31Å; R93-V96 WeakPolarHBondContact O-CB 3.31Å; R93-V96 WeakPolarHBondContact O-CG2 3.26Å; R93-V96 PolarHBondContact O-N 2.99Å; T94-V96 PolarHBondContact O-N 3.47Å; V96-Y98 PolarHBondContact O-N 2.93Å; V96-I99 PolarHBondContact O-N 3.08Å; V96-I100 HydrophobicContact CG1-CD1 3.82Å; V96-I100 HydrophobicContact CG1-CG1 4.21Å; V96-I100 VanDerWaalsContact O-CG1 3.3Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 3.03Å |
| 97 | T | 93.5 | Very high | 90.3 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 32% | 0.319 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 175.4 | -52 | 0 | 0 | 0 | 0 | 111.7 | T94 T95 I100 V101 I186 | T94-T97 PolarHBondContact O-N 3.1Å; T95-T97 VanDerWaalsContact C-N 3.27Å; T95-T97 PolarHBondContact O-N 3.09Å; T97-I100 PolarHBondContact O-N 3.31Å; T97-V101 WeakPolarHBondContact O-CG2 3.48Å; T97-V101 PolarHBondContact O-N 3.01Å; T97-V101 VanDerWaalsContact O-N 3.1Å; T97-I186 HydrophobicContact CG2-CD1 3.88Å |
| 98 | Y | 94.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 175.3 | -60.7 | -63.5 | 0 | 0 | 0 | 112.1 | T95 V96 V101 L102 L159 I160 E163 R182 I186 | T95-Y98 PolarHBondContact O-N 2.93Å; V96-Y98 PolarHBondContact O-N 2.93Å; Y98-V101 PolarHBondContact O-N 3.37Å; Y98-L102 VanDerWaalsContact O-CB 3.3Å; Y98-L102 WeakPolarHBondContact O-CB 3.39Å; Y98-L102 PolarHBondContact O-N 2.94Å; Y98-L159 HydrophobicContact CD1-CD2 4Å; Y98-L159 HydrophobicContact CD1-CG 4.39Å; Y98-L159 HydrophobicContact CE1-CD2 3.42Å; Y98-L159 VanDerWaalsContact CE1-CD2 3.42Å; Y98-L159 HydrophobicContact CE1-CG 3.86Å; Y98-I160 VanDerWaalsContact CB-CG1 3.46Å; Y98-I160 HydrophobicContact CD2-CG1 4.46Å; Y98-I160 HydrophobicContact CG-CG1 4.12Å; Y98-E163 WeakPolarHBondContact CD2-OE2 3.28Å; Y98-E163 HydrophobicContact CE2-CB 4.36Å; Y98-E163 HydrophobicContact CE2-CG 4.2Å; Y98-E163 WeakPolarHBondContact CE2-OE2 3.3Å; Y98-R182 WeakPolarHBondContact OH-CB 3.27Å; Y98-I186 HydrophobicContact CD1-CD1 3.54Å; Y98-I186 HydrophobicContact CD1-CG1 3.48Å; Y98-I186 VanDerWaalsContact CD1-CG1 3.48Å; Y98-I186 HydrophobicContact CE1-CD1 3.72Å; Y98-I186 HydrophobicContact CE1-CG1 3.4Å; Y98-I186 VanDerWaalsContact CE1-CG1 3.4Å; Y98-I186 HydrophobicContact CG-CD1 4.48Å |
| 99 | I | 93.5 | Very high | 91 | Very high | 23 Ų | 23 | 50.7 Ų | 50.7 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 178.2 | -65.5 | 166.3 | 0 | 0 | 0 | 111.4 | T95 V96 A103 Y484 | T95-I99 HydrophobicContact CG2-CD1 4.28Å; T95-I99 WeakPolarHBondContact O-CG1 3.16Å; T95-I99 PolarHBondContact O-N 3.29Å; T95-I99 VanDerWaalsContact O-N 3.09Å; V96-I99 PolarHBondContact O-N 3.08Å; I99-A103 VanDerWaalsContact O-CB 3.31Å; I99-A103 WeakPolarHBondContact O-CB 3.41Å; I99-A103 PolarHBondContact O-N 3.09Å; I99-Y484 HydrophobicContact CD1-CE1 4.08Å |
| 100 | I | 94.8 | Very high | 91.6 | Very high | 48 Ų | 48 | 47 Ų | 47 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -48.5 | 174.6 | -71.2 | 167.8 | 0 | 0 | 0 | 110.6 | L83 V86 V96 T97 A103 I104 | L83-I100 HydrophobicContact CD1-CG2 3.99Å; V86-I100 HydrophobicContact CG1-CD1 3.9Å; V86-I100 HydrophobicContact CG1-CG1 3.56Å; V96-I100 HydrophobicContact CG1-CD1 3.82Å; V96-I100 HydrophobicContact CG1-CG1 4.21Å; V96-I100 VanDerWaalsContact O-CG1 3.3Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 3.03Å; T97-I100 PolarHBondContact O-N 3.31Å; I100-A103 PolarHBondContact O-N 2.9Å; I100-I104 HydrophobicContact CG2-CD1 3.79Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.27Å; I100-I104 PolarHBondContact O-N 3.05Å |
| 101 | V | 96.4 | Very high | 92.4 | Very high | 31 Ų | 31 | 47.9 Ų | 47.9 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.5 | -40.4 | -179.1 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | T97 Y98 I104 V105 L156 I186 I190 | T97-V101 WeakPolarHBondContact O-CG2 3.48Å; T97-V101 PolarHBondContact O-N 3.01Å; T97-V101 VanDerWaalsContact O-N 3.1Å; Y98-V101 PolarHBondContact O-N 3.37Å; V101-I104 PolarHBondContact O-N 3.26Å; V101-V105 HydrophobicContact CG1-CG2 4.43Å; V101-V105 WeakPolarHBondContact O-CG2 3.29Å; V101-V105 PolarHBondContact O-N 3.43Å; V101-L156 HydrophobicContact CG1-CD1 3.84Å; V101-I186 HydrophobicContact CB-CG2 4.49Å; V101-I186 HydrophobicContact CG1-CG2 3.92Å; V101-I186 HydrophobicContact CG2-CD1 4.29Å; V101-I186 HydrophobicContact CG2-CG2 4.28Å; V101-I190 HydrophobicContact CG1-CD1 4.43Å |
| 102 | L | 95.5 | Very high | 93.6 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 10% | 0.099 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.7 | -48.4 | 173.3 | -178.3 | 63.8 | 0 | 0 | 0 | 111.2 | Y98 I104 V105 D106 S153 L156 I160 | Y98-L102 VanDerWaalsContact O-CB 3.3Å; Y98-L102 WeakPolarHBondContact O-CB 3.39Å; Y98-L102 PolarHBondContact O-N 2.94Å; L102-I104 VanDerWaalsContact C-N 3.28Å; L102-I104 PolarHBondContact O-N 3.34Å; L102-V105 PolarHBondContact O-N 2.93Å; L102-V105 VanDerWaalsContact O-N 3.16Å; L102-D106 WeakPolarHBondContact O-CB 3.38Å; L102-D106 VanDerWaalsContact O-CG 3.3Å; L102-D106 PolarHBondContact O-N 3.28Å; L102-S153 WeakPolarHBondContact CD1-OG 3.27Å; L102-L156 HydrophobicContact CD1-CB 4.25Å; L102-I160 HydrophobicContact CD2-CD1 3.87Å |
| 103 | A | 95.9 | Very high | 94.6 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 10% | 0.099 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.4 | -33.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I79 I99 I100 L107 | I79-A103 HydrophobicContact CG2-CB 4.16Å; I79-A103 VanDerWaalsContact CG2-O 3.31Å; I79-A103 WeakPolarHBondContact CG2-O 3.5Å; I99-A103 VanDerWaalsContact O-CB 3.31Å; I99-A103 WeakPolarHBondContact O-CB 3.41Å; I99-A103 PolarHBondContact O-N 3.09Å; I100-A103 PolarHBondContact O-N 2.9Å; A103-L107 VanDerWaalsContact O-CB 3.24Å; A103-L107 WeakPolarHBondContact O-CB 3.07Å; A103-L107 PolarHBondContact O-N 3.45Å |
| 104 | I | 97.2 | Very high | 95.2 | Very high | 61 Ų | 61 | 29.1 Ų | 29.1 | 31% | 0.313 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -70.1 | -43.1 | 174.4 | -69.3 | 165.1 | 0 | 0 | 0 | 111 | L83 I100 V101 L102 L107 F108 | L83-I104 HydrophobicContact CD1-CG1 4.19Å; I100-I104 HydrophobicContact CG2-CD1 3.79Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.27Å; I100-I104 PolarHBondContact O-N 3.05Å; V101-I104 PolarHBondContact O-N 3.26Å; L102-I104 VanDerWaalsContact C-N 3.28Å; L102-I104 PolarHBondContact O-N 3.34Å; I104-L107 WeakPolarHBondContact O-CB 3.31Å; I104-L107 PolarHBondContact O-N 3.33Å; I104-F108 HydrophobicContact CG2-CD2 3.79Å; I104-F108 HydrophobicContact CG2-CE2 3.56Å; I104-F108 WeakPolarHBondContact O-CD2 3.49Å; I104-F108 PolarHBondContact O-N 2.94Å |
| 105 | V | 97.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 7% | 0.073 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | V101 L102 L107 F108 T109 L149 I152 L156 | V101-V105 HydrophobicContact CG1-CG2 4.43Å; V101-V105 WeakPolarHBondContact O-CG2 3.29Å; V101-V105 PolarHBondContact O-N 3.43Å; L102-V105 PolarHBondContact O-N 2.93Å; L102-V105 VanDerWaalsContact O-N 3.16Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-F108 PolarHBondContact O-N 3.08Å; V105-T109 WeakPolarHBondContact O-CB 3.35Å; V105-T109 PolarHBondContact O-N 3.4Å; V105-T109 PolarHBondContact O-OG1 2.8Å; V105-L149 HydrophobicContact CG1-CB 4.24Å; V105-L149 HydrophobicContact CG1-CD2 4.23Å; V105-L149 WeakPolarHBondContact CG1-O 3.37Å; V105-I152 HydrophobicContact CG1-CB 4.18Å; V105-I152 HydrophobicContact CG1-CG2 4.07Å; V105-I152 HydrophobicContact CG2-CG2 3.82Å; V105-L156 HydrophobicContact CG2-CD1 4.2Å |
| 106 | D | 97.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 175.8 | -66.1 | -18.7 | 0 | 0 | 0 | 110.6 | I79 L102 T109 L110 S153 | I79-D106 HydrophobicContact CD1-CB 3.92Å; L102-D106 WeakPolarHBondContact O-CB 3.38Å; L102-D106 VanDerWaalsContact O-CG 3.3Å; L102-D106 PolarHBondContact O-N 3.28Å; D106-T109 WeakPolarHBondContact O-CB 3.2Å; D106-T109 PolarHBondContact O-N 3.03Å; D106-L110 WeakPolarHBondContact O-CG 3.38Å; D106-L110 PolarHBondContact O-N 3.26Å; D106-S153 WeakPolarHBondContact OD1-CB 3.43Å; D106-S153 PolarHBondContact OD1-OG 3.26Å |
| 107 | L | 97.6 | Very high | 96 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 173.1 | 179.8 | 62.7 | 0 | 0 | 0 | 112.3 | I76 I79 L80 A103 I104 V105 T109 L110 I111 | I76-L107 HydrophobicContact CG1-CD1 4.34Å; I76-L107 HydrophobicContact CG2-CD1 3.98Å; I79-L107 HydrophobicContact CG2-CB 4.02Å; L80-L107 HydrophobicContact CD2-CD2 4.06Å; A103-L107 VanDerWaalsContact O-CB 3.24Å; A103-L107 WeakPolarHBondContact O-CB 3.07Å; A103-L107 PolarHBondContact O-N 3.45Å; I104-L107 WeakPolarHBondContact O-CB 3.31Å; I104-L107 PolarHBondContact O-N 3.33Å; V105-L107 VanDerWaalsContact C-N 3.34Å; L107-T109 VanDerWaalsContact C-N 3.27Å; L107-T109 PolarHBondContact O-N 3.38Å; L107-L110 PolarHBondContact O-N 2.78Å; L107-I111 HydrophobicContact CD1-CD1 4Å; L107-I111 HydrophobicContact CD1-CG1 4.4Å; L107-I111 HydrophobicContact CG-CD1 3.92Å; L107-I111 VanDerWaalsContact O-CG1 3.3Å; L107-I111 WeakPolarHBondContact O-CG1 3.38Å; L107-I111 PolarHBondContact O-N 2.94Å |
| 108 | F | 98 | Very high | 96 | Very high | 120 Ų | 120 | 32.6 Ų | 32.6 | 53% | 0.526 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.2 | -37.5 | 175.3 | -78 | -63.3 | 0 | 0 | 0 | 111.7 | I104 V105 I111 S112 L149 | I104-F108 HydrophobicContact CG2-CD2 3.79Å; I104-F108 HydrophobicContact CG2-CE2 3.56Å; I104-F108 WeakPolarHBondContact O-CD2 3.49Å; I104-F108 PolarHBondContact O-N 2.94Å; V105-F108 PolarHBondContact O-N 3.08Å; F108-I111 PolarHBondContact O-N 3.37Å; F108-S112 WeakPolarHBondContact O-CB 3.19Å; F108-S112 PolarHBondContact O-N 3.15Å; F108-S112 PolarHBondContact O-OG 3.12Å; F108-S112 VanDerWaalsContact O-OG 3.1Å; F108-L149 HydrophobicContact CB-CD1 3.82Å; F108-L149 HydrophobicContact CB-CD2 4.29Å |
| 109 | T | 97.3 | Very high | 95.9 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 176.3 | -52 | 0 | 0 | 0 | 0 | 111.2 | V105 D106 L107 S112 L113 V146 L149 L150 | V105-T109 WeakPolarHBondContact O-CB 3.35Å; V105-T109 PolarHBondContact O-N 3.4Å; V105-T109 PolarHBondContact O-OG1 2.8Å; D106-T109 WeakPolarHBondContact O-CB 3.2Å; D106-T109 PolarHBondContact O-N 3.03Å; L107-T109 VanDerWaalsContact C-N 3.27Å; L107-T109 PolarHBondContact O-N 3.38Å; T109-S112 PolarHBondContact O-N 3.48Å; T109-L113 HydrophobicContact CG2-CD1 4.07Å; T109-L113 WeakPolarHBondContact O-CB 3.2Å; T109-L113 WeakPolarHBondContact O-CG 3.29Å; T109-L113 PolarHBondContact O-N 2.81Å; T109-V146 HydrophobicContact CG2-CG1 4.35Å; T109-L149 WeakPolarHBondContact OG1-CB 3.29Å; T109-L150 HydrophobicContact CG2-CD2 3.78Å; T109-L150 HydrophobicContact CG2-CG 3.93Å |
| 110 | L | 97.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.9 | -67.8 | -174.1 | 0 | 0 | 0 | 112.7 | F72 I76 I79 D106 L107 L113 C114 A474 | F72-L110 HydrophobicContact CD1-CD2 4.04Å; F72-L110 HydrophobicContact CE1-CD2 4.2Å; I76-L110 HydrophobicContact CD1-CB 4.42Å; I76-L110 HydrophobicContact CG1-CB 3.92Å; I76-L110 HydrophobicContact CG1-CD1 3.98Å; I79-L110 HydrophobicContact CD1-CD1 3.5Å; I79-L110 VanDerWaalsContact CD1-CD1 3.5Å; I79-L110 HydrophobicContact CD1-CG 4.21Å; I79-L110 HydrophobicContact CG1-CD1 4.37Å; D106-L110 WeakPolarHBondContact O-CG 3.38Å; D106-L110 PolarHBondContact O-N 3.26Å; L107-L110 PolarHBondContact O-N 2.78Å; L110-L113 PolarHBondContact O-N 3.38Å; L110-C114 WeakPolarHBondContact O-CB 3.34Å; L110-C114 PolarHBondContact O-N 2.96Å; L110-A474 HydrophobicContact CD2-CB 4.39Å |
| 111 | I | 97.5 | Very high | 95.5 | Very high | 66 Ų | 66 | 37.8 Ų | 37.8 | 34% | 0.338 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 177.3 | -69.4 | 166.9 | 0 | 0 | 0 | 110.1 | I76 L107 F108 C114 I115 | I76-I111 HydrophobicContact CD1-CG1 4.17Å; L107-I111 HydrophobicContact CD1-CD1 4Å; L107-I111 HydrophobicContact CD1-CG1 4.4Å; L107-I111 HydrophobicContact CG-CD1 3.92Å; L107-I111 VanDerWaalsContact O-CG1 3.3Å; L107-I111 WeakPolarHBondContact O-CG1 3.38Å; L107-I111 PolarHBondContact O-N 2.94Å; F108-I111 PolarHBondContact O-N 3.37Å; I111-C114 PolarHBondContact O-N 3.36Å; I111-I115 HydrophobicContact CG2-CD1 4.04Å; I111-I115 WeakPolarHBondContact O-CG1 3.37Å; I111-I115 PolarHBondContact O-N 3.37Å |
| 112 | S | 96.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.3 | -62.2 | 0 | 0 | 0 | 0 | 112.6 | F108 T109 I115 L116 V146 | F108-S112 WeakPolarHBondContact O-CB 3.19Å; F108-S112 PolarHBondContact O-N 3.15Å; F108-S112 PolarHBondContact O-OG 3.12Å; F108-S112 VanDerWaalsContact O-OG 3.1Å; T109-S112 PolarHBondContact O-N 3.48Å; S112-I115 PolarHBondContact O-N 3.34Å; S112-L116 WeakPolarHBondContact O-CG 3.47Å; S112-L116 PolarHBondContact O-N 3.3Å; S112-V146 VanDerWaalsContact CB-CG2 3.41Å |
| 113 | L | 95.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 173.5 | -75.3 | 172.5 | 0 | 0 | 0 | 112.3 | F72 T109 L110 I115 L116 S117 V146 V470 L473 | F72-L113 HydrophobicContact CE1-CB 3.7Å; F72-L113 HydrophobicContact CE1-CD1 4.26Å; F72-L113 HydrophobicContact CZ-CB 3.66Å; T109-L113 HydrophobicContact CG2-CD1 4.07Å; T109-L113 WeakPolarHBondContact O-CB 3.2Å; T109-L113 WeakPolarHBondContact O-CG 3.29Å; T109-L113 PolarHBondContact O-N 2.81Å; L110-L113 PolarHBondContact O-N 3.38Å; L113-I115 PolarHBondContact O-N 3.25Å; L113-L116 PolarHBondContact O-N 3.21Å; L113-S117 PolarHBondContact O-N 3.48Å; L113-S117 PolarHBondContact O-OG 2.96Å; L113-V146 HydrophobicContact CD2-CG1 3.89Å; L113-V146 HydrophobicContact CD2-CG2 4.31Å; L113-V146 HydrophobicContact CG-CG1 4.18Å; L113-V146 HydrophobicContact CG-CG2 4.23Å; L113-V470 HydrophobicContact CD2-CG1 4.45Å; L113-L473 HydrophobicContact CD1-CB 4.38Å; L113-L473 HydrophobicContact CD1-CD1 4.19Å |
| 114 | C | 96.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | F72 L110 I111 L116 S117 M118 | F72-C114 HydrophobicContact CB-CB 4.16Å; F72-C114 HydrophobicContact CD2-CB 4.08Å; F72-C114 HydrophobicContact CG-CB 4.07Å; L110-C114 WeakPolarHBondContact O-CB 3.34Å; L110-C114 PolarHBondContact O-N 2.96Å; I111-C114 PolarHBondContact O-N 3.36Å; C114-L116 VanDerWaalsContact C-N 3.35Å; C114-L116 PolarHBondContact O-N 3.14Å; C114-S117 PolarHBondContact O-N 3.35Å; C114-M118 VanDerWaalsContact O-CG 3.24Å; C114-M118 WeakPolarHBondContact O-CG 3.44Å; C114-M118 PolarHBondContact O-N 2.86Å; C114-M118 VanDerWaalsContact O-N 3.14Å |
| 115 | I | 95.6 | Very high | 94.3 | Very high | 75 Ų | 75 | 47.4 Ų | 47.4 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 174.2 | -65.1 | 162.9 | 0 | 0 | 0 | 111 | I111 S112 L113 S117 M118 L142 | I111-I115 HydrophobicContact CG2-CD1 4.04Å; I111-I115 WeakPolarHBondContact O-CG1 3.37Å; I111-I115 PolarHBondContact O-N 3.37Å; S112-I115 PolarHBondContact O-N 3.34Å; L113-I115 PolarHBondContact O-N 3.25Å; I115-S117 VanDerWaalsContact C-N 3.34Å; I115-S117 PolarHBondContact O-N 3.06Å; I115-M118 PolarHBondContact O-N 2.9Å; I115-L142 HydrophobicContact CB-CD1 4.15Å; I115-L142 HydrophobicContact CG2-CD1 3.52Å |
| 116 | L | 93.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 20% | 0.199 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -31.2 | 176.7 | -72.3 | 168.2 | 0 | 0 | 0 | 113.4 | S112 L113 C114 E139 L142 V146 | S112-L116 WeakPolarHBondContact O-CG 3.47Å; S112-L116 PolarHBondContact O-N 3.3Å; L113-L116 PolarHBondContact O-N 3.21Å; C114-L116 VanDerWaalsContact C-N 3.35Å; C114-L116 PolarHBondContact O-N 3.14Å; L116-E139 HydrophobicContact CD2-CB 4.33Å; L116-E139 HydrophobicContact CD2-CG 3.83Å; L116-L142 HydrophobicContact CD1-CB 4.17Å; L116-L142 HydrophobicContact CD2-CB 3.89Å; L116-L142 HydrophobicContact CD2-CD1 4.38Å; L116-L142 HydrophobicContact CG-CB 4.03Å; L116-L142 HydrophobicContact CG-CD1 4.43Å; L116-V146 HydrophobicContact CD1-CG2 4.1Å |
| 117 | S | 93.7 | Very high | 93.4 | Very high | 13 Ų | 13 | 53 Ų | 53 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -82.6 | -10.4 | 175.5 | -65 | 0 | 0 | 0 | 0 | 114.5 | L113 C114 I115 D119 | L113-S117 PolarHBondContact O-N 3.48Å; L113-S117 PolarHBondContact O-OG 2.96Å; C114-S117 PolarHBondContact O-N 3.35Å; I115-S117 VanDerWaalsContact C-N 3.34Å; I115-S117 PolarHBondContact O-N 3.06Å; S117-D119 VanDerWaalsContact C-N 3.28Å |
| 118 | M | 93.6 | Very high | 92.9 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 30% | 0.3 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 5 | 174.9 | -73.3 | -70.1 | -67.4 | 0 | 0 | 112.8 | I69 C114 I115 F120 F121 I122 | I69-M118 HydrophobicContact CD1-SD 3.47Å; I69-M118 WeakPolarHBondContact CD1-SD 3.41Å; I69-M118 HydrophobicContact CG1-SD 3.93Å; C114-M118 VanDerWaalsContact O-CG 3.24Å; C114-M118 WeakPolarHBondContact O-CG 3.44Å; C114-M118 PolarHBondContact O-N 2.86Å; C114-M118 VanDerWaalsContact O-N 3.14Å; I115-M118 PolarHBondContact O-N 2.9Å; M118-F120 VanDerWaalsContact C-N 3.28Å; M118-F120 PolarHBondContact O-N 3.04Å; M118-F121 HydrophobicContact CE-CB 3.98Å; M118-F121 HydrophobicContact CE-CD2 3.95Å; M118-F121 HydrophobicContact CE-CG 4.18Å; M118-F121 PolarHBondContact O-N 3.49Å; M118-F121 HydrophobicContact SD-CD2 3.85Å; M118-F121 HydrophobicContact SD-CE2 4.47Å; M118-I122 HydrophobicContact CB-CD1 3.75Å; M118-I122 HydrophobicContact CB-CG1 4.25Å; M118-I122 VanDerWaalsContact O-CG1 3.3Å; M118-I122 WeakPolarHBondContact O-CG1 2.85Å; M118-I122 PolarHBondContact O-N 3.32Å |
| 119 | D | 92 | Very high | 92.1 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -45.2 | -47.3 | 176.5 | 62.7 | -31 | 0 | 0 | 0 | 113.4 | K64 H65 S117 F121 I122 I123 Y135 | K64-D119 VanDerWaalsContact CE-OD2 3.29Å; K64-D119 WeakPolarHBondContact CE-OD2 3.27Å; K64-D119 IonicContact NZ-OD2 3.39Å; K64-D119 PolarHBondContact NZ-OD2 3.14Å; H65-D119 IonicContact CE1-OD1 2.91Å; H65-D119 PolarHBondContact CE1-OD1 3.32Å; H65-D119 IonicContact CE1-OD2 3.41Å; H65-D119 PolarHBondContact CE1-OD2 2.94Å; H65-D119 IonicContact ND1-OD1 2.92Å; H65-D119 PolarHBondContact ND1-OD1 2.93Å; S117-D119 VanDerWaalsContact C-N 3.28Å; D119-F121 VanDerWaalsContact C-N 3.27Å; D119-F121 PolarHBondContact O-N 2.95Å; D119-I122 PolarHBondContact O-N 3.4Å; D119-I123 HydrophobicContact CB-CD1 4.36Å; D119-I123 WeakPolarHBondContact O-CB 3.19Å; D119-I123 WeakPolarHBondContact O-CD1 3.46Å; D119-I123 VanDerWaalsContact O-CG1 3.26Å; D119-I123 WeakPolarHBondContact O-CG1 3Å; D119-I123 PolarHBondContact O-N 2.95Å; D119-Y135 HydrophobicContact CB-CE2 4.34Å; D119-Y135 WeakPolarHBondContact CB-OH 3.5Å |
| 120 | F | 89.2 | Confident | 91.4 | Very high | 87 Ų | 87 | 62.1 Ų | 62.1 | 38% | 0.382 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.8 | -28.5 | 178.5 | -175.5 | -96.6 | 0 | 0 | 0 | 114.6 | H65 M118 P124 | H65-F120 HydrophobicContact CB-CB 4.3Å; H65-F120 WeakPolarHBondContact ND1-CB 3.37Å; M118-F120 VanDerWaalsContact C-N 3.28Å; M118-F120 PolarHBondContact O-N 3.04Å; F120-P124 WeakPolarHBondContact O-CD 3.18Å; F120-P124 VanDerWaalsContact O-CG 3.31Å; F120-P124 WeakPolarHBondContact O-CG 3.08Å |
| 121 | F | 91.4 | Very high | 90.7 | Very high | 87 Ų | 87 | 65.7 Ų | 65.7 | 38% | 0.382 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -91.4 | -28.8 | 176.3 | -64.5 | -74.8 | 0 | 0 | 0 | 112.4 | Y66 I69 M118 D119 A125 | Y66-F121 HydrophobicContact CE1-CZ 4.37Å; I69-F121 HydrophobicContact CD1-CD2 4.22Å; I69-F121 HydrophobicContact CD1-CE2 3.69Å; M118-F121 HydrophobicContact CE-CB 3.98Å; M118-F121 HydrophobicContact CE-CD2 3.95Å; M118-F121 HydrophobicContact CE-CG 4.18Å; M118-F121 PolarHBondContact O-N 3.49Å; M118-F121 HydrophobicContact SD-CD2 3.85Å; M118-F121 HydrophobicContact SD-CE2 4.47Å; D119-F121 VanDerWaalsContact C-N 3.27Å; D119-F121 PolarHBondContact O-N 2.95Å; F121-A125 WeakPolarHBondContact O-CB 3.37Å |
| 122 | I | 90.4 | Very high | 90.2 | Very high | 54 Ų | 54 | 67.5 Ų | 67.5 | 28% | 0.277 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -76.3 | -43.6 | -178.9 | -68.7 | 166.5 | 0 | 0 | 0 | 110.7 | M118 D119 A125 L126 Y135 | M118-I122 HydrophobicContact CB-CD1 3.75Å; M118-I122 HydrophobicContact CB-CG1 4.25Å; M118-I122 VanDerWaalsContact O-CG1 3.3Å; M118-I122 WeakPolarHBondContact O-CG1 2.85Å; M118-I122 PolarHBondContact O-N 3.32Å; D119-I122 PolarHBondContact O-N 3.4Å; I122-A125 PolarHBondContact O-N 2.91Å; I122-L126 HydrophobicContact CG2-CD1 3.71Å; I122-L126 WeakPolarHBondContact O-CD1 3.49Å; I122-L126 WeakPolarHBondContact O-CG 3.18Å; I122-Y135 HydrophobicContact CG2-CD2 4.05Å; I122-Y135 HydrophobicContact CG2-CE2 4.32Å |
| 123 | I | 89.3 | Confident | 89.8 | Confident | 92 Ų | 92 | 76 Ų | 76 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -60.4 | -48.8 | -174.9 | -68.5 | 163.3 | 0 | 0 | 0 | 112.5 | D119 A125 Y135 | D119-I123 HydrophobicContact CB-CD1 4.36Å; D119-I123 WeakPolarHBondContact O-CB 3.19Å; D119-I123 WeakPolarHBondContact O-CD1 3.46Å; D119-I123 VanDerWaalsContact O-CG1 3.26Å; D119-I123 WeakPolarHBondContact O-CG1 3Å; D119-I123 PolarHBondContact O-N 2.95Å; I123-A125 VanDerWaalsContact C-N 3.28Å; I123-A125 PolarHBondContact O-N 3.25Å; I123-Y135 HydrophobicContact CD1-CE1 4.11Å; I123-Y135 HydrophobicContact CG1-CD1 4.37Å; I123-Y135 HydrophobicContact CG1-CD2 4.44Å; I123-Y135 HydrophobicContact CG1-CE1 4.34Å; I123-Y135 HydrophobicContact CG1-CE2 4.41Å; I123-Y135 HydrophobicContact CG1-CG 4.46Å |
| 124 | P | 89.6 | Confident | 89.6 | Confident | 101 Ų | 101 | 79.1 Ų | 79.1 | 66% | 0.656 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -74.2 | -15.1 | -179.6 | -16.9 | 32.9 | 0 | 0 | 0 | 114.3 | F120 L126 | F120-P124 WeakPolarHBondContact O-CD 3.18Å; F120-P124 VanDerWaalsContact O-CG 3.31Å; F120-P124 WeakPolarHBondContact O-CG 3.08Å; P124-L126 VanDerWaalsContact C-N 3.29Å; P124-L126 PolarHBondContact O-N 3.46Å |
| 125 | A | 90.1 | Very high | 89.3 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 65% | 0.645 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -85.2 | 0.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F121 I122 I123 | F121-A125 WeakPolarHBondContact O-CB 3.37Å; I122-A125 PolarHBondContact O-N 2.91Å; I123-A125 VanDerWaalsContact C-N 3.28Å; I123-A125 PolarHBondContact O-N 3.25Å |
| 126 | L | 88.3 | Confident | 89 | Confident | 63 Ų | 63 | 82.3 Ų | 82.3 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -120.3 | 138.2 | -171.4 | -66.2 | 168.9 | 0 | 0 | 0 | 111.2 | I122 P124 F131 | I122-L126 HydrophobicContact CG2-CD1 3.71Å; I122-L126 WeakPolarHBondContact O-CD1 3.49Å; I122-L126 WeakPolarHBondContact O-CG 3.18Å; P124-L126 VanDerWaalsContact C-N 3.29Å; P124-L126 PolarHBondContact O-N 3.46Å; L126-F131 HydrophobicContact CB-CB 3.87Å; L126-F131 HydrophobicContact CB-CD1 3.92Å; L126-F131 HydrophobicContact CB-CD2 4.38Å; L126-F131 HydrophobicContact CB-CG 3.78Å; L126-F131 HydrophobicContact CD1-CB 4.32Å; L126-F131 HydrophobicContact CD1-CD1 3.95Å; L126-F131 HydrophobicContact CD1-CG 4.43Å; L126-F131 HydrophobicContact CD2-CD1 3.7Å; L126-F131 HydrophobicContact CD2-CE1 3.74Å; L126-F131 HydrophobicContact CD2-CG 4.42Å; L126-F131 HydrophobicContact CD2-CZ 4.48Å; L126-F131 HydrophobicContact CG-CD1 4.07Å; L126-F131 HydrophobicContact CG-CG 4.43Å |
| 127 | P | 88.2 | Confident | 88.9 | Confident | 88 Ų | 88 | 85.2 Ų | 85.2 | 57% | 0.571 | 46% | 0.455 | S | S | * | . | trans | -54.9 | 149.4 | 179.6 | -27.2 | 33 | 0 | 0 | 0 | 114.7 | F131 | P127-F131 HydrophobicContact CB-CD2 4.13Å; P127-F131 HydrophobicContact CB-CE2 3.94Å; P127-F131 HydrophobicContact CG-CD2 4.41Å; P127-F131 HydrophobicContact CG-CE2 3.87Å; P127-F131 WeakPolarHBondContact O-CD2 3.36Å | ||
| 128 | E | 86.5 | Confident | 88.8 | Confident | 141 Ų | 141 | 88.6 Ų | 88.6 | 66% | 0.659 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 142 | -178.4 | -62.5 | 174.1 | -149.6 | 0 | 0 | 112.1 | N20 | N20-E128 PolarHBondContact ND2-OE1 2.92Š|
| 129 | G | 80.7 | Confident | 88.8 | Confident | 59 Ų | 59 | 89.5 Ų | 89.5 | 61% | 0.608 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.1 | -79.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T132 | G129-T132 PolarHBondContact O-OG1 3.43Š|
| 130 | L | 82.7 | Confident | 88.8 | Confident | 143 Ų | 143 | 90.7 Ų | 90.7 | 75% | 0.749 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -27.4 | -172.6 | -71.3 | 176.3 | 0 | 0 | 0 | 113.7 | ||
| 131 | F | 84 | Confident | 89 | Confident | 80 Ų | 80 | 90.4 Ų | 90.4 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.8 | -27.4 | -167.6 | -73.7 | -88 | 0 | 0 | 0 | 114.1 | L126 P127 R133 V134 Y135 | L126-F131 HydrophobicContact CB-CB 3.87Å; L126-F131 HydrophobicContact CB-CD1 3.92Å; L126-F131 HydrophobicContact CB-CD2 4.38Å; L126-F131 HydrophobicContact CB-CG 3.78Å; L126-F131 HydrophobicContact CD1-CB 4.32Å; L126-F131 HydrophobicContact CD1-CD1 3.95Å; L126-F131 HydrophobicContact CD1-CG 4.43Å; L126-F131 HydrophobicContact CD2-CD1 3.7Å; L126-F131 HydrophobicContact CD2-CE1 3.74Å; L126-F131 HydrophobicContact CD2-CG 4.42Å; L126-F131 HydrophobicContact CD2-CZ 4.48Å; L126-F131 HydrophobicContact CG-CD1 4.07Å; L126-F131 HydrophobicContact CG-CG 4.43Å; P127-F131 HydrophobicContact CB-CD2 4.13Å; P127-F131 HydrophobicContact CB-CE2 3.94Å; P127-F131 HydrophobicContact CG-CD2 4.41Å; P127-F131 HydrophobicContact CG-CE2 3.87Å; P127-F131 WeakPolarHBondContact O-CD2 3.36Å; F131-R133 VanDerWaalsContact C-N 3.33Å; F131-R133 PolarHBondContact O-N 2.95Å; F131-V134 PolarHBondContact O-N 3.32Å; F131-Y135 WeakPolarHBondContact O-CB 3.44Å; F131-Y135 PolarHBondContact O-N 3.06Å |
| 132 | T | 86.9 | Confident | 89.2 | Confident | 103 Ų | 103 | 87.5 Ų | 87.5 | 63% | 0.632 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.2 | -42.2 | 176.2 | 55.9 | 0 | 0 | 0 | 0 | 112 | G129 F136 | G129-T132 PolarHBondContact O-OG1 3.43Å; T132-F136 VanDerWaalsContact O-CB 3.29Å; T132-F136 WeakPolarHBondContact O-CB 3.45Å; T132-F136 PolarHBondContact O-N 3.17Å |
| 133 | R | 87.9 | Confident | 89.4 | Confident | 185 Ų | 185 | 86.3 Ų | 86.3 | 70% | 0.698 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.8 | -38.8 | 176.9 | -177 | -179 | -73.5 | -171.8 | -0 | 112.4 | F131 L137 | F131-R133 VanDerWaalsContact C-N 3.33Å; F131-R133 PolarHBondContact O-N 2.95Å; R133-L137 WeakPolarHBondContact O-CB 3.38Å; R133-L137 PolarHBondContact O-N 3.45Å |
| 134 | V | 90.4 | Very high | 89.6 | Confident | 74 Ų | 74 | 83 Ų | 83 | 45% | 0.448 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72.5 | -44.6 | 178.6 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | F131 L137 I138 | F131-V134 PolarHBondContact O-N 3.32Å; V134-L137 WeakPolarHBondContact O-CB 3.44Å; V134-L137 PolarHBondContact O-N 3.39Å; V134-I138 HydrophobicContact CG1-CD1 3.8Å; V134-I138 HydrophobicContact CG1-CG1 4.44Å; V134-I138 WeakPolarHBondContact O-CG1 3.46Å; V134-I138 PolarHBondContact O-N 3.42Å |
| 135 | Y | 91 | Very high | 89.9 | Confident | 33 Ų | 33 | 81.4 Ų | 81.4 | 13% | 0.129 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -58.7 | -50.7 | 175.7 | 175.1 | -92.3 | 0 | 0 | 0 | 111 | D119 I122 I123 F131 L137 I138 E139 | D119-Y135 HydrophobicContact CB-CE2 4.34Å; D119-Y135 WeakPolarHBondContact CB-OH 3.5Å; I122-Y135 HydrophobicContact CG2-CD2 4.05Å; I122-Y135 HydrophobicContact CG2-CE2 4.32Å; I123-Y135 HydrophobicContact CD1-CE1 4.11Å; I123-Y135 HydrophobicContact CG1-CD1 4.37Å; I123-Y135 HydrophobicContact CG1-CD2 4.44Å; I123-Y135 HydrophobicContact CG1-CE1 4.34Å; I123-Y135 HydrophobicContact CG1-CE2 4.41Å; I123-Y135 HydrophobicContact CG1-CG 4.46Å; F131-Y135 WeakPolarHBondContact O-CB 3.44Å; F131-Y135 PolarHBondContact O-N 3.06Å; Y135-L137 VanDerWaalsContact C-N 3.28Å; Y135-L137 PolarHBondContact O-N 3.35Å; Y135-I138 CarbonylContact O-C 3.6Å; Y135-I138 PolarHBondContact O-N 3.37Å; Y135-E139 HydrophobicContact CE1-CB 4.24Å; Y135-E139 VanDerWaalsContact CE1-OE2 3.22Å; Y135-E139 WeakPolarHBondContact CE1-OE2 3.39Å; Y135-E139 WeakPolarHBondContact O-CB 3.42Å; Y135-E139 PolarHBondContact O-N 3.08Å |
| 136 | F | 89.9 | Confident | 90.1 | Very high | 136 Ų | 136 | 77.9 Ų | 77.9 | 60% | 0.596 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.3 | -38.8 | 176.6 | -178.3 | -96.9 | 0 | 0 | 0 | 112.4 | T132 T140 | T132-F136 VanDerWaalsContact O-CB 3.29Å; T132-F136 WeakPolarHBondContact O-CB 3.45Å; T132-F136 PolarHBondContact O-N 3.17Å; F136-T140 WeakPolarHBondContact O-CB 3.47Å; F136-T140 PolarHBondContact O-N 3.14Å; F136-T140 PolarHBondContact O-OG1 3.23Å |
| 137 | L | 91.2 | Very high | 90.4 | Very high | 99 Ų | 99 | 75.1 Ų | 75.1 | 52% | 0.518 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 174.6 | -179.1 | 65.5 | 0 | 0 | 0 | 112 | R133 V134 Y135 T140 I141 | R133-L137 WeakPolarHBondContact O-CB 3.38Å; R133-L137 PolarHBondContact O-N 3.45Å; V134-L137 WeakPolarHBondContact O-CB 3.44Å; V134-L137 PolarHBondContact O-N 3.39Å; Y135-L137 VanDerWaalsContact C-N 3.28Å; Y135-L137 PolarHBondContact O-N 3.35Å; L137-T140 PolarHBondContact O-N 3.24Å; L137-I141 HydrophobicContact CD1-CD1 3.94Å; L137-I141 HydrophobicContact CD1-CG1 4.38Å; L137-I141 HydrophobicContact CG-CD1 3.87Å; L137-I141 WeakPolarHBondContact O-CB 3.48Å; L137-I141 VanDerWaalsContact O-CG1 3.24Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 3.34Å |
| 138 | I | 92.6 | Very high | 90.8 | Very high | 83 Ų | 83 | 71.4 Ų | 71.4 | 43% | 0.426 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 177 | -71.2 | 168.9 | 0 | 0 | 0 | 110.7 | V134 Y135 T140 I141 L142 | V134-I138 HydrophobicContact CG1-CD1 3.8Å; V134-I138 HydrophobicContact CG1-CG1 4.44Å; V134-I138 WeakPolarHBondContact O-CG1 3.46Å; V134-I138 PolarHBondContact O-N 3.42Å; Y135-I138 CarbonylContact O-C 3.6Å; Y135-I138 PolarHBondContact O-N 3.37Å; I138-T140 VanDerWaalsContact C-N 3.31Å; I138-T140 PolarHBondContact O-N 3.42Å; I138-I141 PolarHBondContact O-N 3.34Å; I138-L142 HydrophobicContact CG2-CD1 3.64Å; I138-L142 HydrophobicContact CG2-CG 4.16Å; I138-L142 VanDerWaalsContact O-CB 3.29Å; I138-L142 WeakPolarHBondContact O-CB 3.44Å; I138-L142 VanDerWaalsContact O-CG 3.3Å; I138-L142 WeakPolarHBondContact O-CG 3.29Å; I138-L142 PolarHBondContact O-N 3.28Å |
| 139 | E | 93.2 | Very high | 91.3 | Very high | 81 Ų | 81 | 65.6 Ų | 65.6 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.2 | -47 | 175.4 | -176.6 | -176.3 | -178.7 | 0 | 0 | 110.9 | L116 Y135 L142 G143 | L116-E139 HydrophobicContact CD2-CB 4.33Å; L116-E139 HydrophobicContact CD2-CG 3.83Å; Y135-E139 HydrophobicContact CE1-CB 4.24Å; Y135-E139 VanDerWaalsContact CE1-OE2 3.22Å; Y135-E139 WeakPolarHBondContact CE1-OE2 3.39Å; Y135-E139 WeakPolarHBondContact O-CB 3.42Å; Y135-E139 PolarHBondContact O-N 3.08Å; E139-L142 PolarHBondContact O-N 3.44Å; E139-G143 PolarHBondContact O-N 3.03Å |
| 140 | T | 91.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 63 Ų | 63 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 177.1 | -63 | 0 | 0 | 0 | 0 | 112 | F136 L137 I138 E144 L204 | F136-T140 WeakPolarHBondContact O-CB 3.47Å; F136-T140 PolarHBondContact O-N 3.14Å; F136-T140 PolarHBondContact O-OG1 3.23Å; L137-T140 PolarHBondContact O-N 3.24Å; I138-T140 VanDerWaalsContact C-N 3.31Å; I138-T140 PolarHBondContact O-N 3.42Å; T140-E144 PolarHBondContact O-N 3.19Å; T140-L204 HydrophobicContact CG2-CD1 4.26Å; T140-L204 HydrophobicContact CG2-CD2 3.32Å; T140-L204 HydrophobicContact CG2-CG 3.78Å |
| 141 | I | 94.1 | Very high | 92.7 | Very high | 82 Ų | 82 | 56.2 Ų | 56.2 | 42% | 0.421 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 179 | -70.7 | 167.8 | 0 | 0 | 0 | 111.2 | L137 I138 L145 | L137-I141 HydrophobicContact CD1-CD1 3.94Å; L137-I141 HydrophobicContact CD1-CG1 4.38Å; L137-I141 HydrophobicContact CG-CD1 3.87Å; L137-I141 WeakPolarHBondContact O-CB 3.48Å; L137-I141 VanDerWaalsContact O-CG1 3.24Å; L137-I141 WeakPolarHBondContact O-CG1 3.39Å; L137-I141 PolarHBondContact O-N 3.34Å; I138-I141 PolarHBondContact O-N 3.34Å; I141-L145 VanDerWaalsContact O-CB 3.23Å; I141-L145 WeakPolarHBondContact O-CB 3.38Å; I141-L145 PolarHBondContact O-N 2.91Å |
| 142 | L | 94.9 | Very high | 93.3 | Very high | 25 Ų | 25 | 52.8 Ų | 52.8 | 13% | 0.131 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 178.3 | -74.3 | 176.7 | 0 | 0 | 0 | 111.8 | I115 L116 I138 E139 L145 V146 | I115-L142 HydrophobicContact CB-CD1 4.15Å; I115-L142 HydrophobicContact CG2-CD1 3.52Å; L116-L142 HydrophobicContact CD1-CB 4.17Å; L116-L142 HydrophobicContact CD2-CB 3.89Å; L116-L142 HydrophobicContact CD2-CD1 4.38Å; L116-L142 HydrophobicContact CG-CB 4.03Å; L116-L142 HydrophobicContact CG-CD1 4.43Å; I138-L142 HydrophobicContact CG2-CD1 3.64Å; I138-L142 HydrophobicContact CG2-CG 4.16Å; I138-L142 VanDerWaalsContact O-CB 3.29Å; I138-L142 WeakPolarHBondContact O-CB 3.44Å; I138-L142 VanDerWaalsContact O-CG 3.3Å; I138-L142 WeakPolarHBondContact O-CG 3.29Å; I138-L142 PolarHBondContact O-N 3.28Å; E139-L142 PolarHBondContact O-N 3.44Å; L142-L145 HydrophobicContact CD2-CD2 4.22Å; L142-L145 PolarHBondContact O-N 3.25Å; L142-V146 WeakPolarHBondContact O-CB 3.48Å; L142-V146 VanDerWaalsContact O-CG2 3.31Å; L142-V146 WeakPolarHBondContact O-CG2 3.38Å; L142-V146 PolarHBondContact O-N 3.31Å |
| 143 | G | 93.4 | Very high | 93.8 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.4 | -50.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E139 L145 V146 D147 | E139-G143 PolarHBondContact O-N 3.03Å; G143-L145 VanDerWaalsContact C-N 3.33Å; G143-L145 PolarHBondContact O-N 3.44Å; G143-V146 PolarHBondContact O-N 3.3Å; G143-D147 WeakPolarHBondContact O-CB 3.37Å; G143-D147 PolarHBondContact O-N 3.45Å |
| 144 | E | 93.8 | Very high | 94.2 | Very high | 23 Ų | 23 | 39.1 Ų | 39.1 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.9 | -29.4 | 176 | -66.1 | -62 | 156.3 | 0 | 0 | 112.7 | T140 T148 F201 L204 R419 | T140-E144 PolarHBondContact O-N 3.19Å; E144-T148 WeakPolarHBondContact O-CB 3.4Å; E144-T148 PolarHBondContact O-N 3.03Å; E144-T148 PolarHBondContact O-OG1 3.43Å; E144-F201 HydrophobicContact CB-CD1 4.26Å; E144-F201 HydrophobicContact CB-CE1 3.57Å; E144-F201 HydrophobicContact CB-CE2 3.88Å; E144-F201 HydrophobicContact CB-CZ 3.35Å; E144-F201 HydrophobicContact CG-CE1 4.36Å; E144-F201 HydrophobicContact CG-CZ 4.46Å; E144-L204 HydrophobicContact CG-CD2 3.69Å; E144-R419 VanDerWaalsContact CD-NH2 3.32Å; E144-R419 IonicContact OE1-CZ 3.3Å; E144-R419 IonicContact OE1-NH2 2.85Å; E144-R419 PolarHBondContact OE1-NH2 3.28Å; E144-R419 IonicContact OE2-NH2 2.68Å; E144-R419 PolarHBondContact OE2-NH2 3.42Å |
| 145 | L | 95.7 | Very high | 94.5 | Very high | 68 Ų | 68 | 38.1 Ų | 38.1 | 36% | 0.356 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.9 | -46.3 | 171.7 | 179.5 | 64.2 | 0 | 0 | 0 | 111.6 | I141 L142 G143 D147 T148 L149 | I141-L145 VanDerWaalsContact O-CB 3.23Å; I141-L145 WeakPolarHBondContact O-CB 3.38Å; I141-L145 PolarHBondContact O-N 2.91Å; L142-L145 HydrophobicContact CD2-CD2 4.22Å; L142-L145 PolarHBondContact O-N 3.25Å; G143-L145 VanDerWaalsContact C-N 3.33Å; G143-L145 PolarHBondContact O-N 3.44Å; L145-D147 VanDerWaalsContact C-N 3.34Å; L145-D147 PolarHBondContact O-N 2.93Å; L145-T148 CarbonylContact O-C 3.58Å; L145-T148 WeakPolarHBondContact O-CB 3.33Å; L145-T148 PolarHBondContact O-N 2.9Å; L145-T148 VanDerWaalsContact O-N 3.09Å; L145-L149 HydrophobicContact CD1-CD1 4.27Å; L145-L149 HydrophobicContact CD1-CG 4.24Å; L145-L149 HydrophobicContact CG-CD1 3.96Å; L145-L149 HydrophobicContact CG-CG 4.37Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3.2Å; L145-L149 PolarHBondContact O-N 3.34Å |
| 146 | V | 95.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 174.6 | 165 | 0 | 0 | 0 | 0 | 110.3 | T109 S112 L113 L116 L142 G143 T148 L149 L150 | T109-V146 HydrophobicContact CG2-CG1 4.35Å; S112-V146 VanDerWaalsContact CB-CG2 3.41Å; L113-V146 HydrophobicContact CD2-CG1 3.89Å; L113-V146 HydrophobicContact CD2-CG2 4.31Å; L113-V146 HydrophobicContact CG-CG1 4.18Å; L113-V146 HydrophobicContact CG-CG2 4.23Å; L116-V146 HydrophobicContact CD1-CG2 4.1Å; L142-V146 WeakPolarHBondContact O-CB 3.48Å; L142-V146 VanDerWaalsContact O-CG2 3.31Å; L142-V146 WeakPolarHBondContact O-CG2 3.38Å; L142-V146 PolarHBondContact O-N 3.31Å; G143-V146 PolarHBondContact O-N 3.3Å; V146-T148 PolarHBondContact O-N 3.5Å; V146-L149 PolarHBondContact O-N 2.94Å; V146-L150 HydrophobicContact CG1-CD1 3.81Å; V146-L150 HydrophobicContact CG1-CG 4.33Å; V146-L150 WeakPolarHBondContact O-CB 3.35Å; V146-L150 VanDerWaalsContact O-CG 3.31Å; V146-L150 WeakPolarHBondContact O-CG 3.17Å; V146-L150 PolarHBondContact O-N 2.91Å |
| 147 | D | 94.6 | Very high | 95 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.4 | -36.5 | 174.3 | -118.2 | 4.8 | 0 | 0 | 0 | 112 | G143 L145 L151 K197 Q228 F232 R419 | G143-D147 WeakPolarHBondContact O-CB 3.37Å; G143-D147 PolarHBondContact O-N 3.45Å; L145-D147 VanDerWaalsContact C-N 3.34Å; L145-D147 PolarHBondContact O-N 2.93Å; D147-L151 WeakPolarHBondContact O-CB 3.28Å; D147-L151 PolarHBondContact O-N 3.43Å; D147-K197 VanDerWaalsContact CG-NZ 3.27Å; D147-K197 IonicContact OD2-NZ 2.78Å; D147-K197 PolarHBondContact OD2-NZ 3.37Å; D147-Q228 PolarHBondContact OD1-NE2 3.34Å; D147-Q228 PolarHBondContact OD2-NE2 2.89Å; D147-Q228 PolarHBondContact OD2-OE1 3.23Å; D147-F232 WeakPolarHBondContact O-CE2 3.33Å; D147-R419 IonicContact OD2-CZ 3.73Å; D147-R419 VanDerWaalsContact OD2-CZ 3.3Å; D147-R419 IonicContact OD2-NH1 2.77Å; D147-R419 PolarHBondContact OD2-NH1 3.08Å; D147-R419 IonicContact OD2-NH2 2.68Å; D147-R419 PolarHBondContact OD2-NH2 3.38Å |
| 148 | T | 96.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -75.6 | -41.9 | 177.6 | -55.7 | 0 | 0 | 0 | 0 | 112 | E144 L145 V146 L151 I152 I194 K197 | E144-T148 WeakPolarHBondContact O-CB 3.4Å; E144-T148 PolarHBondContact O-N 3.03Å; E144-T148 PolarHBondContact O-OG1 3.43Å; L145-T148 CarbonylContact O-C 3.58Å; L145-T148 WeakPolarHBondContact O-CB 3.33Å; L145-T148 PolarHBondContact O-N 2.9Å; L145-T148 VanDerWaalsContact O-N 3.09Å; V146-T148 PolarHBondContact O-N 3.5Å; T148-L151 WeakPolarHBondContact O-CB 3.47Å; T148-L151 PolarHBondContact O-N 3.46Å; T148-I152 HydrophobicContact CG2-CD1 4.37Å; T148-I152 WeakPolarHBondContact O-CG1 3.05Å; T148-I152 PolarHBondContact O-N 2.85Å; T148-I194 HydrophobicContact CG2-CG1 4.28Å; T148-K197 HydrophobicContact CG2-CB 4.38Å; T148-K197 HydrophobicContact CG2-CG 4.39Å; T148-K197 WeakPolarHBondContact OG1-CB 3.21Å; T148-K197 WeakPolarHBondContact OG1-CG 3.35Å |
| 149 | L | 97.2 | Very high | 95.4 | Very high | 20 Ų | 20 | 24.4 Ų | 24.4 | 11% | 0.105 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 177.9 | -69.6 | 169.3 | 0 | 0 | 0 | 111.6 | V105 F108 T109 L145 V146 L151 I152 S153 | V105-L149 HydrophobicContact CG1-CB 4.24Å; V105-L149 HydrophobicContact CG1-CD2 4.23Å; V105-L149 WeakPolarHBondContact CG1-O 3.37Å; F108-L149 HydrophobicContact CB-CD1 3.82Å; F108-L149 HydrophobicContact CB-CD2 4.29Å; T109-L149 WeakPolarHBondContact OG1-CB 3.29Å; L145-L149 HydrophobicContact CD1-CD1 4.27Å; L145-L149 HydrophobicContact CD1-CG 4.24Å; L145-L149 HydrophobicContact CG-CD1 3.96Å; L145-L149 HydrophobicContact CG-CG 4.37Å; L145-L149 VanDerWaalsContact O-CG 3.32Å; L145-L149 WeakPolarHBondContact O-CG 3.2Å; L145-L149 PolarHBondContact O-N 3.34Å; V146-L149 PolarHBondContact O-N 2.94Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 PolarHBondContact O-N 2.91Å; L149-I152 WeakPolarHBondContact O-CB 3.48Å; L149-I152 PolarHBondContact O-N 3.28Å; L149-S153 PolarHBondContact O-N 3.39Å |
| 150 | L | 95.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 173.3 | -70.4 | 169.2 | 0 | 0 | 0 | 111.7 | T109 V146 I152 S153 N154 F232 F411 L473 | T109-L150 HydrophobicContact CG2-CD2 3.78Å; T109-L150 HydrophobicContact CG2-CG 3.93Å; V146-L150 HydrophobicContact CG1-CD1 3.81Å; V146-L150 HydrophobicContact CG1-CG 4.33Å; V146-L150 WeakPolarHBondContact O-CB 3.35Å; V146-L150 VanDerWaalsContact O-CG 3.31Å; V146-L150 WeakPolarHBondContact O-CG 3.17Å; V146-L150 PolarHBondContact O-N 2.91Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 2.99Å; L150-S153 WeakPolarHBondContact O-CB 3.32Å; L150-S153 PolarHBondContact O-N 2.97Å; L150-N154 PolarHBondContact O-N 2.99Å; L150-N154 PolarHBondContact O-OD1 3.15Å; L150-F232 HydrophobicContact CB-CE2 3.85Å; L150-F232 HydrophobicContact CB-CZ 3.52Å; L150-F232 HydrophobicContact CD1-CZ 4.4Å; L150-F411 HydrophobicContact CD1-CD1 3.99Å; L150-F411 HydrophobicContact CD1-CE1 3.55Å; L150-F411 HydrophobicContact CD1-CZ 4.27Å; L150-L473 HydrophobicContact CD1-CD1 3.96Å; L150-L473 HydrophobicContact CD2-CD1 4.36Å; L150-L473 HydrophobicContact CD2-CD2 4.1Å |
| 151 | L | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 173.4 | -178.6 | 63.4 | 0 | 0 | 0 | 111 | D147 T148 L149 N154 W155 I196 K197 F232 | D147-L151 WeakPolarHBondContact O-CB 3.28Å; D147-L151 PolarHBondContact O-N 3.43Å; T148-L151 WeakPolarHBondContact O-CB 3.47Å; T148-L151 PolarHBondContact O-N 3.46Å; L149-L151 VanDerWaalsContact C-N 3.34Å; L149-L151 PolarHBondContact O-N 2.91Å; L151-N154 PolarHBondContact O-N 3.37Å; L151-W155 VanDerWaalsContact O-CD1 3.25Å; L151-W155 PolarHBondContact O-N 3.02Å; L151-W155 VanDerWaalsContact O-N 3.11Å; L151-I196 HydrophobicContact CD2-CB 4.48Å; L151-I196 HydrophobicContact CD2-CG2 3.92Å; L151-K197 HydrophobicContact CD2-CG 4.11Å; L151-F232 HydrophobicContact CB-CD2 3.86Å; L151-F232 HydrophobicContact CB-CE2 3.99Å; L151-F232 HydrophobicContact CD1-CB 4.17Å; L151-F232 HydrophobicContact CD1-CD2 3.85Å; L151-F232 HydrophobicContact CD1-CG 4.26Å; L151-F232 HydrophobicContact CG-CD2 4.41Å |
| 152 | I | 97.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 17.8 Ų | 17.8 | 5% | 0.046 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 175 | -65.3 | 165.5 | 0 | 0 | 0 | 110.8 | V105 T148 L149 L150 N154 W155 L156 I190 | V105-I152 HydrophobicContact CG1-CB 4.18Å; V105-I152 HydrophobicContact CG1-CG2 4.07Å; V105-I152 HydrophobicContact CG2-CG2 3.82Å; T148-I152 HydrophobicContact CG2-CD1 4.37Å; T148-I152 WeakPolarHBondContact O-CG1 3.05Å; T148-I152 PolarHBondContact O-N 2.85Å; L149-I152 WeakPolarHBondContact O-CB 3.48Å; L149-I152 PolarHBondContact O-N 3.28Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 2.99Å; I152-N154 VanDerWaalsContact C-N 3.28Å; I152-N154 PolarHBondContact O-N 2.84Å; I152-W155 PolarHBondContact O-N 3.26Å; I152-L156 HydrophobicContact CG2-CD1 3.7Å; I152-L156 HydrophobicContact CG2-CG 4.13Å; I152-L156 WeakPolarHBondContact O-CB 3.39Å; I152-L156 VanDerWaalsContact O-CG 3.27Å; I152-L156 WeakPolarHBondContact O-CG 3.39Å; I152-L156 PolarHBondContact O-N 2.98Å; I152-I190 HydrophobicContact CD1-CG2 4.33Å; I152-I190 HydrophobicContact CG2-CG1 4.03Å |
| 153 | S | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.5 | -40.6 | 176.9 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | L102 D106 L149 L150 T157 K476 | L102-S153 WeakPolarHBondContact CD1-OG 3.27Å; D106-S153 WeakPolarHBondContact OD1-CB 3.43Å; D106-S153 PolarHBondContact OD1-OG 3.26Å; L149-S153 PolarHBondContact O-N 3.39Å; L150-S153 WeakPolarHBondContact O-CB 3.32Å; L150-S153 PolarHBondContact O-N 2.97Å; S153-T157 WeakPolarHBondContact O-CB 3.11Å; S153-T157 PolarHBondContact O-N 3.06Å; S153-T157 PolarHBondContact O-OG1 3.2Å; S153-K476 PolarHBondContact OG-NZ 3.47Å |
| 154 | N | 95.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.1 | -51.6 | 177.3 | -65.6 | 8.2 | 0 | 0 | 0 | 112 | L150 L151 I152 L156 T157 V158 F232 P236 F404 Q408 | L150-N154 PolarHBondContact O-N 2.99Å; L150-N154 PolarHBondContact O-OD1 3.15Å; L151-N154 PolarHBondContact O-N 3.37Å; I152-N154 VanDerWaalsContact C-N 3.28Å; I152-N154 PolarHBondContact O-N 2.84Å; N154-L156 PolarHBondContact O-N 2.87Å; N154-T157 WeakPolarHBondContact O-CB 3.25Å; N154-T157 PolarHBondContact O-N 3.16Å; N154-T157 VanDerWaalsContact O-N 3.13Å; N154-V158 WeakPolarHBondContact O-CG2 3.2Å; N154-V158 PolarHBondContact O-N 3.09Å; N154-F232 WeakPolarHBondContact ND2-CD1 3.3Å; N154-F232 WeakPolarHBondContact ND2-CE1 3.23Å; N154-F232 PolarHBondContact ND2-O 3.27Å; N154-P236 HydrophobicContact CB-CB 4.38Å; N154-F404 HydrophobicContact CB-CE2 4.23Å; N154-F404 HydrophobicContact CB-CZ 4.39Å; N154-F404 VanDerWaalsContact OD1-CE2 3.3Å; N154-F404 WeakPolarHBondContact OD1-CE2 3.38Å; N154-Q408 PolarHBondContact ND2-NE2 3.34Å; N154-Q408 VanDerWaalsContact OD1-CD 3.29Å; N154-Q408 PolarHBondContact OD1-NE2 3Å; N154-Q408 PolarHBondContact OD1-OE1 2.99Å; N154-Q408 VanDerWaalsContact OD1-OE1 3.12Å |
| 155 | W | 97.7 | Very high | 95.6 | Very high | 53 Ų | 53 | 20.6 Ų | 20.6 | 20% | 0.201 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.1 | -33.5 | -178.7 | -77.1 | 104.1 | 0 | 0 | 0 | 112.7 | L151 I152 V158 L159 V189 L231 I235 P236 I239 | L151-W155 VanDerWaalsContact O-CD1 3.25Å; L151-W155 PolarHBondContact O-N 3.02Å; L151-W155 VanDerWaalsContact O-N 3.11Å; I152-W155 PolarHBondContact O-N 3.26Å; W155-V158 PolarHBondContact O-N 3.5Å; W155-L159 WeakPolarHBondContact O-CB 3.33Å; W155-L159 PolarHBondContact O-N 3.16Å; W155-V189 HydrophobicContact CB-CG1 3.51Å; W155-V189 HydrophobicContact CB-CG2 4.46Å; W155-L231 HydrophobicContact CZ2-CD1 3.82Å; W155-I235 HydrophobicContact CH2-CG2 3.67Å; W155-I235 HydrophobicContact CZ2-CG2 4.11Å; W155-P236 HydrophobicContact CZ2-CG 4.04Å; W155-I239 HydrophobicContact CH2-CD1 4.39Å; W155-I239 HydrophobicContact CZ3-CD1 4.22Å |
| 156 | L | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 169.5 | -71.9 | 175.1 | 0 | 0 | 0 | 111.9 | V101 L102 V105 I152 N154 L159 I160 I186 V189 | V101-L156 HydrophobicContact CG1-CD1 3.84Å; L102-L156 HydrophobicContact CD1-CB 4.25Å; V105-L156 HydrophobicContact CG2-CD1 4.2Å; I152-L156 HydrophobicContact CG2-CD1 3.7Å; I152-L156 HydrophobicContact CG2-CG 4.13Å; I152-L156 WeakPolarHBondContact O-CB 3.39Å; I152-L156 VanDerWaalsContact O-CG 3.27Å; I152-L156 WeakPolarHBondContact O-CG 3.39Å; I152-L156 PolarHBondContact O-N 2.98Å; N154-L156 PolarHBondContact O-N 2.87Å; L156-L159 PolarHBondContact O-N 3.03Å; L156-I160 VanDerWaalsContact O-CG1 3.29Å; L156-I160 WeakPolarHBondContact O-CG1 3.04Å; L156-I160 PolarHBondContact O-N 2.89Å; L156-I186 HydrophobicContact CD2-CG1 4.49Å; L156-I186 HydrophobicContact CD2-CG2 4.42Å; L156-V189 HydrophobicContact CD2-CG1 4.29Å; L156-V189 HydrophobicContact CG-CG1 4.29Å |
| 157 | T | 95.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 21.8 Ų | 21.8 | 14% | 0.135 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 175.9 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | S153 N154 L159 I160 A161 L240 | S153-T157 WeakPolarHBondContact O-CB 3.11Å; S153-T157 PolarHBondContact O-N 3.06Å; S153-T157 PolarHBondContact O-OG1 3.2Å; N154-T157 WeakPolarHBondContact O-CB 3.25Å; N154-T157 PolarHBondContact O-N 3.16Å; N154-T157 VanDerWaalsContact O-N 3.13Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 3.48Å; T157-I160 PolarHBondContact O-N 3.44Å; T157-A161 PolarHBondContact O-N 3.23Å; T157-L240 HydrophobicContact CG2-CD1 4.46Å |
| 158 | V | 96.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 24.6 Ų | 24.6 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 172.6 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | N154 W155 I160 A161 T162 P236 I239 | N154-V158 WeakPolarHBondContact O-CG2 3.2Å; N154-V158 PolarHBondContact O-N 3.09Å; W155-V158 PolarHBondContact O-N 3.5Å; V158-I160 PolarHBondContact O-N 2.65Å; V158-A161 PolarHBondContact O-N 2.76Å; V158-T162 PolarHBondContact O-N 2.98Å; V158-T162 PolarHBondContact O-OG1 2.8Å; V158-P236 HydrophobicContact CG2-CB 3.79Å; V158-P236 WeakPolarHBondContact CG2-O 3.43Å; V158-I239 HydrophobicContact CG1-CB 4.06Å; V158-I239 HydrophobicContact CG1-CD1 4.5Å; V158-I239 HydrophobicContact CG1-CG2 3.54Å |
| 159 | L | 96.2 | Very high | 95.2 | Very high | 32 Ų | 32 | 25.5 Ų | 25.5 | 17% | 0.168 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 179.7 | -173.2 | 59.6 | 0 | 0 | 0 | 112.5 | Y98 W155 L156 T157 T162 E163 F185 V189 | Y98-L159 HydrophobicContact CD1-CD2 4Å; Y98-L159 HydrophobicContact CD1-CG 4.39Å; Y98-L159 HydrophobicContact CE1-CD2 3.42Å; Y98-L159 VanDerWaalsContact CE1-CD2 3.42Å; Y98-L159 HydrophobicContact CE1-CG 3.86Å; W155-L159 WeakPolarHBondContact O-CB 3.33Å; W155-L159 PolarHBondContact O-N 3.16Å; L156-L159 PolarHBondContact O-N 3.03Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 3.48Å; L159-T162 PolarHBondContact O-N 3.27Å; L159-E163 WeakPolarHBondContact O-CB 3.49Å; L159-E163 PolarHBondContact O-N 2.85Å; L159-F185 HydrophobicContact CD2-CB 4.1Å; L159-V189 HydrophobicContact CD2-CG2 4.28Å |
| 160 | I | 94.6 | Very high | 95 | Very high | 15 Ų | 15 | 29 Ų | 29 | 8% | 0.077 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 173.3 | -70.6 | 163.6 | 0 | 0 | 0 | 110.8 | T95 Y98 L102 L156 T157 V158 E163 R164 | T95-I160 HydrophobicContact CG2-CG2 4.21Å; Y98-I160 VanDerWaalsContact CB-CG1 3.46Å; Y98-I160 HydrophobicContact CD2-CG1 4.46Å; Y98-I160 HydrophobicContact CG-CG1 4.12Å; L102-I160 HydrophobicContact CD2-CD1 3.87Å; L156-I160 VanDerWaalsContact O-CG1 3.29Å; L156-I160 WeakPolarHBondContact O-CG1 3.04Å; L156-I160 PolarHBondContact O-N 2.89Å; T157-I160 PolarHBondContact O-N 3.44Å; V158-I160 PolarHBondContact O-N 2.65Å; I160-E163 PolarHBondContact O-N 3.13Å; I160-R164 WeakPolarHBondContact O-CG 3.33Å; I160-R164 PolarHBondContact O-N 3.23Å |
| 161 | A | 94 | Very high | 94.9 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | T157 V158 R164 Y165 L240 V243 L397 | T157-A161 PolarHBondContact O-N 3.23Å; V158-A161 PolarHBondContact O-N 2.76Å; A161-R164 PolarHBondContact O-N 3.49Å; A161-Y165 WeakPolarHBondContact O-CB 3.32Å; A161-Y165 PolarHBondContact O-N 2.77Å; A161-L240 HydrophobicContact CB-CD1 3.51Å; A161-V243 HydrophobicContact CB-CG1 4.13Å; A161-V243 WeakPolarHBondContact O-CG1 3.44Å; A161-L397 HydrophobicContact CB-CD1 4.33Å |
| 162 | T | 95.1 | Very high | 94.8 | Very high | 42 Ų | 42 | 39.4 Ų | 39.4 | 26% | 0.258 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 175.4 | -56.4 | 0 | 0 | 0 | 0 | 112 | V158 L159 R164 Y165 L166 | V158-T162 PolarHBondContact O-N 2.98Å; V158-T162 PolarHBondContact O-OG1 2.8Å; L159-T162 PolarHBondContact O-N 3.27Å; T162-R164 VanDerWaalsContact C-N 3.33Å; T162-R164 PolarHBondContact O-N 2.74Å; T162-Y165 PolarHBondContact O-N 3.34Å; T162-L166 HydrophobicContact CG2-CD1 4.08Å; T162-L166 HydrophobicContact CG2-CG 4.38Å; T162-L166 WeakPolarHBondContact O-CB 3.26Å; T162-L166 VanDerWaalsContact O-CG 3.29Å; T162-L166 WeakPolarHBondContact O-CG 3.24Å; T162-L166 PolarHBondContact O-N 3.37Å |
| 163 | E | 94.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 173.8 | -165.5 | -147.4 | 169.1 | 0 | 0 | 111.2 | T94 T95 Y98 L159 I160 L166 A167 R182 | T94-E163 PolarHBondContact OG1-OE1 3.47Å; T95-E163 VanDerWaalsContact CA-OE2 3.29Å; T95-E163 WeakPolarHBondContact CA-OE2 3.25Å; T95-E163 WeakPolarHBondContact CB-OE2 3.32Å; T95-E163 WeakPolarHBondContact CG2-OE2 3.39Å; T95-E163 VanDerWaalsContact OG1-CD 3.23Å; T95-E163 PolarHBondContact OG1-OE1 3.03Å; T95-E163 VanDerWaalsContact OG1-OE1 3.13Å; T95-E163 PolarHBondContact OG1-OE2 3.31Å; Y98-E163 WeakPolarHBondContact CD2-OE2 3.28Å; Y98-E163 HydrophobicContact CE2-CB 4.36Å; Y98-E163 HydrophobicContact CE2-CG 4.2Å; Y98-E163 WeakPolarHBondContact CE2-OE2 3.3Å; L159-E163 WeakPolarHBondContact O-CB 3.49Å; L159-E163 PolarHBondContact O-N 2.85Å; I160-E163 PolarHBondContact O-N 3.13Å; E163-L166 PolarHBondContact O-N 3.01Å; E163-A167 VanDerWaalsContact O-CB 3.31Å; E163-A167 WeakPolarHBondContact O-CB 3.43Å; E163-A167 PolarHBondContact O-N 3.1Å; E163-R182 IonicContact OE1-CZ 3.78Å; E163-R182 IonicContact OE1-NH1 2.65Å; E163-R182 PolarHBondContact OE1-NH1 3.06Å |
| 164 | R | 92.5 | Very high | 94.4 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 26% | 0.26 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 177.9 | -73.6 | -70.7 | -173.4 | -121.6 | -5.2 | 111.8 | T95 I160 A161 T162 A167 V168 L247 | T95-R164 VanDerWaalsContact CG2-NH2 3.29Å; T95-R164 PolarHBondContact OG1-NH1 2.9Å; I160-R164 WeakPolarHBondContact O-CG 3.33Å; I160-R164 PolarHBondContact O-N 3.23Å; A161-R164 PolarHBondContact O-N 3.49Å; T162-R164 VanDerWaalsContact C-N 3.33Å; T162-R164 PolarHBondContact O-N 2.74Å; R164-A167 PolarHBondContact O-N 2.88Å; R164-V168 WeakPolarHBondContact O-CG2 3.31Å; R164-V168 PolarHBondContact O-N 3.31Å; R164-L247 HydrophobicContact CB-CD1 4.45Å |
| 165 | Y | 94 | Very high | 94.2 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 176.2 | 166.7 | -99.9 | 0 | 0 | 0 | 112.7 | A161 T162 A167 V168 C169 V243 R246 L247 | A161-Y165 WeakPolarHBondContact O-CB 3.32Å; A161-Y165 PolarHBondContact O-N 2.77Å; T162-Y165 PolarHBondContact O-N 3.34Å; Y165-A167 VanDerWaalsContact C-N 3.31Å; Y165-A167 PolarHBondContact O-N 2.92Å; Y165-V168 PolarHBondContact O-N 2.91Å; Y165-C169 VanDerWaalsContact CD2-SG 3.55Å; Y165-C169 HydrophobicContact CE2-CB 4.35Å; Y165-C169 WeakPolarHBondContact CE2-SG 3.18Å; Y165-C169 WeakPolarHBondContact O-CB 3.34Å; Y165-C169 PolarHBondContact O-N 3.23Å; Y165-C169 PolarHBondContact O-SG 2.92Å; Y165-V243 VanDerWaalsContact CB-CG1 3.48Å; Y165-V243 HydrophobicContact CG-CG1 4.03Å; Y165-R246 HydrophobicContact CD2-CB 4.12Å; Y165-R246 HydrophobicContact CE2-CB 3.57Å; Y165-L247 HydrophobicContact CD2-CB 4.42Å |
| 166 | L | 95.2 | Very high | 94 | Very high | 59 Ų | 59 | 63 Ų | 63 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 176.4 | -70.2 | 173.1 | 0 | 0 | 0 | 111.6 | T162 E163 V168 H170 V174 | T162-L166 HydrophobicContact CG2-CD1 4.08Å; T162-L166 HydrophobicContact CG2-CG 4.38Å; T162-L166 WeakPolarHBondContact O-CB 3.26Å; T162-L166 VanDerWaalsContact O-CG 3.29Å; T162-L166 WeakPolarHBondContact O-CG 3.24Å; T162-L166 PolarHBondContact O-N 3.37Å; E163-L166 PolarHBondContact O-N 3.01Å; L166-V168 VanDerWaalsContact C-N 3.35Å; L166-H170 CarbonylContact O-C 3.54Å; L166-H170 VanDerWaalsContact O-C 3.32Å; L166-H170 WeakPolarHBondContact O-CA 3.39Å; L166-H170 PolarHBondContact O-N 3.26Å; L166-V174 VanDerWaalsContact C-CG2 3.4Å; L166-V174 HydrophobicContact CB-CG2 3.57Å; L166-V174 VanDerWaalsContact O-CG2 3.31Å; L166-V174 WeakPolarHBondContact O-CG2 3.43Å |
| 167 | A | 93 | Very high | 93.7 | Very high | 37 Ų | 37 | 65.6 Ų | 65.6 | 31% | 0.306 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.1 | -34.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | E163 R164 Y165 P171 V174 | E163-A167 VanDerWaalsContact O-CB 3.31Å; E163-A167 WeakPolarHBondContact O-CB 3.43Å; E163-A167 PolarHBondContact O-N 3.1Å; R164-A167 PolarHBondContact O-N 2.88Å; Y165-A167 VanDerWaalsContact C-N 3.31Å; Y165-A167 PolarHBondContact O-N 2.92Å; A167-P171 WeakPolarHBondContact O-CA 3.4Å; A167-V174 HydrophobicContact CB-CG1 4.4Å |
| 168 | V | 91.7 | Very high | 93.6 | Very high | 63 Ų | 63 | 69 Ų | 69 | 38% | 0.382 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -76.1 | -47.5 | 176.2 | 172 | 0 | 0 | 0 | 0 | 111.5 | R164 Y165 L166 L247 T250 V251 | R164-V168 WeakPolarHBondContact O-CG2 3.31Å; R164-V168 PolarHBondContact O-N 3.31Å; Y165-V168 PolarHBondContact O-N 2.91Å; L166-V168 VanDerWaalsContact C-N 3.35Å; V168-L247 HydrophobicContact CG2-CD1 4.24Å; V168-T250 HydrophobicContact CG1-CG2 4.05Å; V168-V251 HydrophobicContact CG1-CG2 4.34Å |
| 169 | C | 93.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 72.1 Ų | 72.1 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -82.7 | -30.5 | -172.9 | -57.4 | 0 | 0 | 0 | 0 | 113.3 | Y165 | Y165-C169 VanDerWaalsContact CD2-SG 3.55Å; Y165-C169 HydrophobicContact CE2-CB 4.35Å; Y165-C169 WeakPolarHBondContact CE2-SG 3.18Å; Y165-C169 WeakPolarHBondContact O-CB 3.34Å; Y165-C169 PolarHBondContact O-N 3.23Å; Y165-C169 PolarHBondContact O-SG 2.92Å |
| 170 | H | 94.3 | Very high | 93.2 | Very high | 94 Ų | 94 | 78.4 Ų | 78.4 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | trans | -136.8 | 57.8 | -174.9 | -56.5 | -48.5 | 0 | 0 | 0 | 112.4 | L166 L172 K173 V174 | L166-H170 CarbonylContact O-C 3.54Å; L166-H170 VanDerWaalsContact O-C 3.32Å; L166-H170 WeakPolarHBondContact O-CA 3.39Å; L166-H170 PolarHBondContact O-N 3.26Å; H170-L172 PolarHBondContact O-N 3.45Å; H170-L172 VanDerWaalsContact O-N 3.14Å; H170-K173 HydrophobicContact CB-CB 3.98Å; H170-K173 PolarHBondContact O-N 3.32Å; H170-V174 PolarHBondContact O-N 3.42Å | ||
| 171 | P | 92.9 | Very high | 93.2 | Very high | 80 Ų | 80 | 84 Ų | 84 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56 | -36.4 | -175.2 | 21.8 | -33.9 | 0 | 0 | 0 | 113.2 | A167 R175 | A167-P171 WeakPolarHBondContact O-CA 3.4Å; P171-R175 PolarHBondContact O-N 3.05Å |
| 172 | L | 94.4 | Very high | 93.2 | Very high | 142 Ų | 142 | 84.6 Ų | 84.6 | 74% | 0.743 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 176.2 | -61.2 | 179.8 | 0 | 0 | 0 | 112.5 | H170 F176 | H170-L172 PolarHBondContact O-N 3.45Å; H170-L172 VanDerWaalsContact O-N 3.14Å; L172-F176 WeakPolarHBondContact O-CD2 3.33Å; L172-F176 VanDerWaalsContact O-CE2 3.3Å; L172-F176 WeakPolarHBondContact O-CE2 3.46Å |
| 173 | K | 93.3 | Very high | 93.2 | Very high | 158 Ų | 158 | 89.6 Ų | 89.6 | 69% | 0.687 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -73.3 | -39.1 | -178.5 | -165 | 173.6 | -177.1 | 177.4 | 0 | 111.5 | H170 R175 F176 | H170-K173 HydrophobicContact CB-CB 3.98Å; H170-K173 PolarHBondContact O-N 3.32Å; K173-R175 VanDerWaalsContact C-N 3.25Å; K173-R175 PolarHBondContact O-N 3.33Å; K173-F176 PolarHBondContact O-N 3.06Å |
| 174 | V | 91.6 | Very high | 93.3 | Very high | 15 Ų | 15 | 93.1 Ų | 93.1 | 9% | 0.091 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.5 | -26.5 | 179.1 | 175 | 0 | 0 | 0 | 0 | 112.9 | L166 A167 H170 F176 I177 R182 | L166-V174 VanDerWaalsContact C-CG2 3.4Å; L166-V174 HydrophobicContact CB-CG2 3.57Å; L166-V174 VanDerWaalsContact O-CG2 3.31Å; L166-V174 WeakPolarHBondContact O-CG2 3.43Å; A167-V174 HydrophobicContact CB-CG1 4.4Å; H170-V174 PolarHBondContact O-N 3.42Å; V174-F176 PolarHBondContact O-N 3.14Å; V174-I177 HydrophobicContact CG2-CD1 4.26Å; V174-I177 PolarHBondContact O-N 3.12Å; V174-R182 PolarHBondContact O-NH2 3.48Å |
| 175 | R | 91.5 | Very high | 93.5 | Very high | 222 Ų | 222 | 94.7 Ų | 94.7 | 84% | 0.838 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.4 | 174.8 | -168 | 172.7 | -178.3 | 171.5 | 1 | 113.4 | P171 K173 | P171-R175 PolarHBondContact O-N 3.05Å; K173-R175 VanDerWaalsContact C-N 3.25Å; K173-R175 PolarHBondContact O-N 3.33Å |
| 176 | F | 92.6 | Very high | 93.7 | Very high | 163 Ų | 163 | 92.6 Ų | 92.6 | 72% | 0.715 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -3.8 | 175.1 | -60.7 | -76.3 | 0 | 0 | 0 | 114 | L172 K173 V174 D178 | L172-F176 WeakPolarHBondContact O-CD2 3.33Å; L172-F176 VanDerWaalsContact O-CE2 3.3Å; L172-F176 WeakPolarHBondContact O-CE2 3.46Å; K173-F176 PolarHBondContact O-N 3.06Å; V174-F176 PolarHBondContact O-N 3.14Å; F176-D178 PolarHBondContact O-N 3.37Å; F176-D178 VanDerWaalsContact O-N 3.14Å |
| 177 | I | 92.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 94.4 Ų | 94.4 | 28% | 0.282 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -84.9 | 90.6 | 177.7 | -54.8 | 176.9 | 0 | 0 | 0 | 108.8 | V174 R182 | V174-I177 HydrophobicContact CG2-CD1 4.26Å; V174-I177 PolarHBondContact O-N 3.12Å; I177-R182 HydrophobicContact CG2-CG 4.1Å; I177-R182 PolarHBondContact O-NE 3.14Å; I177-R182 PolarHBondContact O-NH2 3.31Å; I177-R182 VanDerWaalsContact O-NH2 3.16Å |
| 178 | D | 92.3 | Very high | 94.1 | Very high | 95 Ų | 95 | 97.1 Ų | 97.1 | 51% | 0.508 | 46% | 0.461 | S | S | . | . | trans | -54.1 | 153.3 | 179 | -67.8 | -36.4 | 0 | 0 | 0 | 113.2 | F176 K180 Y181 R182 | F176-D178 PolarHBondContact O-N 3.37Å; F176-D178 VanDerWaalsContact O-N 3.14Å; D178-K180 PolarHBondContact O-N 2.94Å; D178-K180 VanDerWaalsContact O-N 3.09Å; D178-Y181 HydrophobicContact CB-CD2 3.94Å; D178-Y181 HydrophobicContact CB-CE2 4.32Å; D178-Y181 PolarHBondContact O-N 3.2Å; D178-R182 PolarHBondContact O-N 2.91Å | ||
| 179 | C | 90.6 | Very high | 94.4 | Very high | 73 Ų | 73 | 95.1 Ų | 95.1 | 49% | 0.493 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.9 | -25.9 | 173.1 | -62.4 | 0 | 0 | 0 | 0 | 113.5 | R183 | C179-R183 WeakPolarHBondContact O-CG 3.45Å; C179-R183 PolarHBondContact O-N 3.09Å |
| 180 | K | 94.1 | Very high | 94.6 | Very high | 164 Ų | 164 | 96.1 Ų | 96.1 | 71% | 0.713 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.4 | -51.8 | 176.3 | -66.4 | -175.2 | 179.3 | -178.1 | 0 | 111.9 | D178 R182 R183 I184 | D178-K180 PolarHBondContact O-N 2.94Å; D178-K180 VanDerWaalsContact O-N 3.09Å; K180-R182 VanDerWaalsContact C-N 3.26Å; K180-R182 PolarHBondContact O-N 3.34Å; K180-R183 PolarHBondContact O-N 2.69Å; K180-I184 WeakPolarHBondContact O-CG1 3.3Å; K180-I184 PolarHBondContact O-N 2.72Å |
| 181 | Y | 94.3 | Very high | 94.8 | Very high | 132 Ų | 132 | 96.6 Ų | 96.6 | 52% | 0.518 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | 179 | -66.8 | -72.8 | 0 | 0 | 0 | 112.2 | D178 I184 F185 | D178-Y181 HydrophobicContact CB-CD2 3.94Å; D178-Y181 HydrophobicContact CB-CE2 4.32Å; D178-Y181 PolarHBondContact O-N 3.2Å; Y181-I184 WeakPolarHBondContact O-CB 3.31Å; Y181-I184 PolarHBondContact O-N 2.87Å; Y181-F185 WeakPolarHBondContact O-CD2 3.3Å; Y181-F185 PolarHBondContact O-N 3.18Å |
| 182 | R | 93.8 | Very high | 95 | Very high | 16 Ų | 16 | 95.2 Ų | 95.2 | 6% | 0.06 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 178.9 | -59.9 | 169.7 | -172.6 | -102.9 | 9.3 | 111.9 | T94 Y98 E163 V174 I177 D178 K180 I184 F185 I186 | T94-R182 VanDerWaalsContact CB-CZ 3.46Å; T94-R182 VanDerWaalsContact CB-NH1 3.28Å; T94-R182 VanDerWaalsContact CG2-CZ 3.45Å; T94-R182 PolarHBondContact OG1-NH1 3.29Å; Y98-R182 WeakPolarHBondContact OH-CB 3.27Å; E163-R182 IonicContact OE1-CZ 3.78Å; E163-R182 IonicContact OE1-NH1 2.65Å; E163-R182 PolarHBondContact OE1-NH1 3.06Å; V174-R182 PolarHBondContact O-NH2 3.48Å; I177-R182 HydrophobicContact CG2-CG 4.1Å; I177-R182 PolarHBondContact O-NE 3.14Å; I177-R182 PolarHBondContact O-NH2 3.31Å; I177-R182 VanDerWaalsContact O-NH2 3.16Å; D178-R182 PolarHBondContact O-N 2.91Å; K180-R182 VanDerWaalsContact C-N 3.26Å; K180-R182 PolarHBondContact O-N 3.34Å; R182-I184 VanDerWaalsContact C-N 3.34Å; R182-F185 PolarHBondContact O-N 3.23Å; R182-I186 WeakPolarHBondContact O-CG1 3.37Å; R182-I186 PolarHBondContact O-N 3.21Å; R182-I186 VanDerWaalsContact O-N 3.08Å |
| 183 | R | 95.9 | Very high | 95.2 | Very high | 148 Ų | 148 | 88.4 Ų | 88.4 | 56% | 0.558 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.3 | -41.1 | 172.3 | -68.3 | 178.5 | -175.7 | -175.4 | 1.9 | 111.7 | C179 K180 I186 I187 | C179-R183 WeakPolarHBondContact O-CG 3.45Å; C179-R183 PolarHBondContact O-N 3.09Å; K180-R183 PolarHBondContact O-N 2.69Å; R183-I186 PolarHBondContact O-N 3.33Å; R183-I187 WeakPolarHBondContact O-CG1 3.28Å; R183-I187 PolarHBondContact O-N 2.98Å |
| 184 | I | 96.7 | Very high | 95.4 | Very high | 89 Ų | 89 | 84.9 Ų | 84.9 | 46% | 0.456 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 175.3 | -65.3 | 165.5 | 0 | 0 | 0 | 110.7 | K180 Y181 R182 I186 I187 L188 | K180-I184 WeakPolarHBondContact O-CG1 3.3Å; K180-I184 PolarHBondContact O-N 2.72Å; Y181-I184 WeakPolarHBondContact O-CB 3.31Å; Y181-I184 PolarHBondContact O-N 2.87Å; R182-I184 VanDerWaalsContact C-N 3.34Å; I184-I186 PolarHBondContact O-N 3.24Å; I184-I187 PolarHBondContact O-N 3.42Å; I184-L188 HydrophobicContact CG2-CD1 3.84Å; I184-L188 HydrophobicContact CG2-CG 4.2Å; I184-L188 WeakPolarHBondContact O-CB 3.09Å; I184-L188 VanDerWaalsContact O-CG 3.29Å; I184-L188 WeakPolarHBondContact O-CG 3.46Å; I184-L188 PolarHBondContact O-N 2.84Å |
| 185 | F | 96.8 | Very high | 95.6 | Very high | 101 Ų | 101 | 90 Ų | 90 | 44% | 0.443 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 176 | -73.1 | -61.9 | 0 | 0 | 0 | 113.2 | L159 Y181 R182 L188 V189 | L159-F185 HydrophobicContact CD2-CB 4.1Å; Y181-F185 WeakPolarHBondContact O-CD2 3.3Å; Y181-F185 PolarHBondContact O-N 3.18Å; R182-F185 PolarHBondContact O-N 3.23Å; F185-L188 PolarHBondContact O-N 3.28Å; F185-V189 WeakPolarHBondContact O-CG2 3.38Å; F185-V189 PolarHBondContact O-N 3.08Å |
| 186 | I | 97.5 | Very high | 95.9 | Very high | 10 Ų | 10 | 81.8 Ų | 81.8 | 5% | 0.051 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 173.7 | -65.5 | 171.3 | 0 | 0 | 0 | 110.7 | T97 Y98 V101 L156 R182 R183 I184 L188 V189 I190 | T97-I186 HydrophobicContact CG2-CD1 3.88Å; Y98-I186 HydrophobicContact CD1-CD1 3.54Å; Y98-I186 HydrophobicContact CD1-CG1 3.48Å; Y98-I186 VanDerWaalsContact CD1-CG1 3.48Å; Y98-I186 HydrophobicContact CE1-CD1 3.72Å; Y98-I186 HydrophobicContact CE1-CG1 3.4Å; Y98-I186 VanDerWaalsContact CE1-CG1 3.4Å; Y98-I186 HydrophobicContact CG-CD1 4.48Å; V101-I186 HydrophobicContact CB-CG2 4.49Å; V101-I186 HydrophobicContact CG1-CG2 3.92Å; V101-I186 HydrophobicContact CG2-CD1 4.29Å; V101-I186 HydrophobicContact CG2-CG2 4.28Å; L156-I186 HydrophobicContact CD2-CG1 4.49Å; L156-I186 HydrophobicContact CD2-CG2 4.42Å; R182-I186 WeakPolarHBondContact O-CG1 3.37Å; R182-I186 PolarHBondContact O-N 3.21Å; R182-I186 VanDerWaalsContact O-N 3.08Å; R183-I186 PolarHBondContact O-N 3.33Å; I184-I186 PolarHBondContact O-N 3.24Å; I186-L188 VanDerWaalsContact C-N 3.32Å; I186-L188 PolarHBondContact O-N 3.35Å; I186-V189 PolarHBondContact O-N 3.02Å; I186-I190 HydrophobicContact CG2-CD1 3.82Å; I186-I190 WeakPolarHBondContact O-CG1 3.44Å; I186-I190 PolarHBondContact O-N 2.78Å |
| 187 | I | 97.9 | Very high | 96 | Very high | 96 Ų | 96 | 74.2 Ų | 74.2 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | -179.4 | -67.6 | 164.6 | 0 | 0 | 0 | 110.4 | R183 I184 I190 L191 | R183-I187 WeakPolarHBondContact O-CG1 3.28Å; R183-I187 PolarHBondContact O-N 2.98Å; I184-I187 PolarHBondContact O-N 3.42Å; I187-I190 PolarHBondContact O-N 3.26Å; I187-L191 HydrophobicContact CG2-CD1 3.7Å; I187-L191 HydrophobicContact CG2-CG 4.17Å; I187-L191 WeakPolarHBondContact O-CB 3.23Å; I187-L191 VanDerWaalsContact O-CG 3.31Å; I187-L191 WeakPolarHBondContact O-CG 3.48Å; I187-L191 PolarHBondContact O-N 2.97Å |
| 188 | L | 97.9 | Very high | 96.1 | Very high | 94 Ų | 94 | 75.5 Ų | 75.5 | 49% | 0.492 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.6 | -73.6 | 172.5 | 0 | 0 | 0 | 112.1 | I184 F185 I186 L191 S192 | I184-L188 HydrophobicContact CG2-CD1 3.84Å; I184-L188 HydrophobicContact CG2-CG 4.2Å; I184-L188 WeakPolarHBondContact O-CB 3.09Å; I184-L188 VanDerWaalsContact O-CG 3.29Å; I184-L188 WeakPolarHBondContact O-CG 3.46Å; I184-L188 PolarHBondContact O-N 2.84Å; F185-L188 PolarHBondContact O-N 3.28Å; I186-L188 VanDerWaalsContact C-N 3.32Å; I186-L188 PolarHBondContact O-N 3.35Å; L188-L191 PolarHBondContact O-N 3.42Å; L188-S192 VanDerWaalsContact O-CB 3.28Å; L188-S192 WeakPolarHBondContact O-CB 3.4Å; L188-S192 PolarHBondContact O-N 2.9Å; L188-S192 PolarHBondContact O-OG 2.82Å |
| 189 | V | 98 | Very high | 96.1 | Very high | 21 Ų | 21 | 73.2 Ų | 73.2 | 13% | 0.127 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 176.2 | 163.9 | 0 | 0 | 0 | 0 | 111.9 | W155 L156 L159 F185 I186 S192 S193 | W155-V189 HydrophobicContact CB-CG1 3.51Å; W155-V189 HydrophobicContact CB-CG2 4.46Å; L156-V189 HydrophobicContact CD2-CG1 4.29Å; L156-V189 HydrophobicContact CG-CG1 4.29Å; L159-V189 HydrophobicContact CD2-CG2 4.28Å; F185-V189 WeakPolarHBondContact O-CG2 3.38Å; F185-V189 PolarHBondContact O-N 3.08Å; I186-V189 PolarHBondContact O-N 3.02Å; V189-S192 PolarHBondContact O-OG 3.09Å; V189-S192 VanDerWaalsContact O-OG 3.11Å; V189-S193 WeakPolarHBondContact O-CB 3.39Å; V189-S193 PolarHBondContact O-N 3.27Å; V189-S193 VanDerWaalsContact O-N 3.08Å; V189-S193 PolarHBondContact O-OG 3.19Å |
| 190 | I | 98.3 | Very high | 96.1 | Very high | 51 Ų | 51 | 70 Ų | 70 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.1 | -51.7 | 177.7 | -66.9 | 167.2 | 0 | 0 | 0 | 110.2 | V101 I152 I186 I187 S192 S193 I194 | V101-I190 HydrophobicContact CG1-CD1 4.43Å; I152-I190 HydrophobicContact CD1-CG2 4.33Å; I152-I190 HydrophobicContact CG2-CG1 4.03Å; I186-I190 HydrophobicContact CG2-CD1 3.82Å; I186-I190 WeakPolarHBondContact O-CG1 3.44Å; I186-I190 PolarHBondContact O-N 2.78Å; I187-I190 PolarHBondContact O-N 3.26Å; I190-S192 PolarHBondContact O-N 3.36Å; I190-S193 PolarHBondContact O-N 3.38Å; I190-I194 HydrophobicContact CG2-CD1 3.87Å; I190-I194 WeakPolarHBondContact O-CG1 3.3Å; I190-I194 PolarHBondContact O-N 3.02Å |
| 191 | L | 98.1 | Very high | 96 | Very high | 103 Ų | 103 | 65.9 Ų | 65.9 | 54% | 0.539 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | -179.2 | -70.8 | 176.2 | 0 | 0 | 0 | 112.3 | I187 L188 I194 L195 | I187-L191 HydrophobicContact CG2-CD1 3.7Å; I187-L191 HydrophobicContact CG2-CG 4.17Å; I187-L191 WeakPolarHBondContact O-CB 3.23Å; I187-L191 VanDerWaalsContact O-CG 3.31Å; I187-L191 WeakPolarHBondContact O-CG 3.48Å; I187-L191 PolarHBondContact O-N 2.97Å; L188-L191 PolarHBondContact O-N 3.42Å; L191-I194 PolarHBondContact O-N 3.47Å; L191-L195 VanDerWaalsContact O-CB 3.32Å; L191-L195 WeakPolarHBondContact O-CB 3.49Å; L191-L195 PolarHBondContact O-N 2.94Å |
| 192 | S | 97.4 | Very high | 95.9 | Very high | 51 Ų | 51 | 63.7 Ų | 63.7 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.5 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | L188 V189 I190 I194 L195 I196 | L188-S192 VanDerWaalsContact O-CB 3.28Å; L188-S192 WeakPolarHBondContact O-CB 3.4Å; L188-S192 PolarHBondContact O-N 2.9Å; L188-S192 PolarHBondContact O-OG 2.82Å; V189-S192 PolarHBondContact O-OG 3.09Å; V189-S192 VanDerWaalsContact O-OG 3.11Å; I190-S192 PolarHBondContact O-N 3.36Å; S192-I194 PolarHBondContact O-N 3.28Å; S192-L195 PolarHBondContact O-N 3.48Å; S192-I196 VanDerWaalsContact O-CB 3.26Å; S192-I196 WeakPolarHBondContact O-CB 3.41Å; S192-I196 VanDerWaalsContact O-CD1 3.24Å; S192-I196 WeakPolarHBondContact O-CD1 3.19Å; S192-I196 WeakPolarHBondContact O-CG1 3.25Å; S192-I196 PolarHBondContact O-N 3.22Å |
| 193 | S | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | V189 I190 K197 | V189-S193 WeakPolarHBondContact O-CB 3.39Å; V189-S193 PolarHBondContact O-N 3.27Å; V189-S193 VanDerWaalsContact O-N 3.08Å; V189-S193 PolarHBondContact O-OG 3.19Å; I190-S193 PolarHBondContact O-N 3.38Å; S193-K197 PolarHBondContact O-N 3.13Å |
| 194 | I | 97.2 | Very high | 95.2 | Very high | 84 Ų | 84 | 59.9 Ų | 59.9 | 43% | 0.431 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64 | -48.9 | 174.4 | -65.5 | 166 | 0 | 0 | 0 | 110.4 | T148 I190 L191 S192 I196 K197 L198 | T148-I194 HydrophobicContact CG2-CG1 4.28Å; I190-I194 HydrophobicContact CG2-CD1 3.87Å; I190-I194 WeakPolarHBondContact O-CG1 3.3Å; I190-I194 PolarHBondContact O-N 3.02Å; L191-I194 PolarHBondContact O-N 3.47Å; S192-I194 PolarHBondContact O-N 3.28Å; I194-I196 VanDerWaalsContact C-N 3.29Å; I194-I196 PolarHBondContact O-N 3.06Å; I194-K197 PolarHBondContact O-N 2.97Å; I194-K197 VanDerWaalsContact O-N 3.15Å; I194-L198 WeakPolarHBondContact O-CB 3.02Å; I194-L198 PolarHBondContact O-N 2.74Å |
| 195 | L | 96.9 | Very high | 94.7 | Very high | 123 Ų | 123 | 58 Ų | 58 | 64% | 0.644 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.4 | -37 | -179.9 | -176.4 | 64.7 | 0 | 0 | 0 | 112.5 | L191 S192 P199 | L191-L195 VanDerWaalsContact O-CB 3.32Å; L191-L195 WeakPolarHBondContact O-CB 3.49Å; L191-L195 PolarHBondContact O-N 2.94Å; S192-L195 PolarHBondContact O-N 3.48Å; L195-P199 VanDerWaalsContact O-CD 3.31Å; L195-P199 WeakPolarHBondContact O-CD 3.44Å |
| 196 | I | 96.5 | Very high | 94.3 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 176.2 | -79.3 | 158.2 | 0 | 0 | 0 | 111.8 | L151 S192 I194 Y223 V227 L231 | L151-I196 HydrophobicContact CD2-CB 4.48Å; L151-I196 HydrophobicContact CD2-CG2 3.92Å; S192-I196 VanDerWaalsContact O-CB 3.26Å; S192-I196 WeakPolarHBondContact O-CB 3.41Å; S192-I196 VanDerWaalsContact O-CD1 3.24Å; S192-I196 WeakPolarHBondContact O-CD1 3.19Å; S192-I196 WeakPolarHBondContact O-CG1 3.25Å; S192-I196 PolarHBondContact O-N 3.22Å; I194-I196 VanDerWaalsContact C-N 3.29Å; I194-I196 PolarHBondContact O-N 3.06Å; I196-Y223 PolarHBondContact O-OH 2.97Å; I196-Y223 VanDerWaalsContact O-OH 3.12Å; I196-V227 HydrophobicContact CG2-CG1 3.7Å; I196-V227 HydrophobicContact CG2-CG2 4.36Å; I196-L231 HydrophobicContact CB-CD2 4.44Å; I196-L231 HydrophobicContact CD1-CD2 3.73Å; I196-L231 HydrophobicContact CG1-CD2 4.02Å; I196-L231 HydrophobicContact CG2-CD2 3.54Å |
| 197 | K | 94.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.017 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -86.5 | -22.2 | -178.4 | -80.7 | -79.9 | -178.3 | 179 | 0 | 113.8 | D147 T148 L151 S193 I194 G200 F201 Y223 | D147-K197 VanDerWaalsContact CG-NZ 3.27Å; D147-K197 IonicContact OD2-NZ 2.78Å; D147-K197 PolarHBondContact OD2-NZ 3.37Å; T148-K197 HydrophobicContact CG2-CB 4.38Å; T148-K197 HydrophobicContact CG2-CG 4.39Å; T148-K197 WeakPolarHBondContact OG1-CB 3.21Å; T148-K197 WeakPolarHBondContact OG1-CG 3.35Å; L151-K197 HydrophobicContact CD2-CG 4.11Å; S193-K197 PolarHBondContact O-N 3.13Å; I194-K197 PolarHBondContact O-N 2.97Å; I194-K197 VanDerWaalsContact O-N 3.15Å; K197-G200 WeakPolarHBondContact O-CA 3.45Å; K197-G200 PolarHBondContact O-N 3.42Å; K197-F201 PolarHBondContact O-N 2.94Å; K197-Y223 WeakPolarHBondContact CA-OH 3.38Å; K197-Y223 PolarHBondContact O-OH 3.03Å |
| 198 | L | 94.9 | Very high | 92.7 | Very high | 83 Ų | 83 | 65 Ų | 65 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54.3 | -39.9 | -178.2 | -175.8 | 139.3 | 0 | 0 | 0 | 114.9 | I194 G200 F201 I202 | I194-L198 WeakPolarHBondContact O-CB 3.02Å; I194-L198 PolarHBondContact O-N 2.74Å; L198-G200 PolarHBondContact O-N 3.21Å; L198-F201 PolarHBondContact O-N 3Å; L198-I202 HydrophobicContact CD2-CD1 3.64Å; L198-I202 HydrophobicContact CG-CD1 4.47Å; L198-I202 WeakPolarHBondContact O-CG1 3.3Å; L198-I202 PolarHBondContact O-N 3.33Å |
| 199 | P | 93.5 | Very high | 92 | Very high | 46 Ų | 46 | 68.2 Ų | 68.2 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -32.1 | 172.2 | -24 | 34.3 | 0 | 0 | 0 | 113.4 | L195 I202 I203 Y223 | L195-P199 VanDerWaalsContact O-CD 3.31Å; L195-P199 WeakPolarHBondContact O-CD 3.44Å; P199-I202 PolarHBondContact O-N 3.28Å; P199-I203 WeakPolarHBondContact O-CD1 3.34Å; P199-I203 WeakPolarHBondContact O-CG1 3.28Å; P199-I203 PolarHBondContact O-N 3.47Å; P199-Y223 HydrophobicContact CB-CD2 4.42Å; P199-Y223 HydrophobicContact CB-CE2 3.82Å; P199-Y223 HydrophobicContact CG-CE2 4.29Å |
| 200 | G | 90.6 | Very high | 91.1 | Very high | 7 Ų | 7 | 71.8 Ų | 71.8 | 7% | 0.072 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61 | -49.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K197 L198 I202 I203 L204 Y223 | K197-G200 WeakPolarHBondContact O-CA 3.45Å; K197-G200 PolarHBondContact O-N 3.42Å; L198-G200 PolarHBondContact O-N 3.21Å; G200-I202 VanDerWaalsContact C-N 3.29Å; G200-I202 PolarHBondContact O-N 2.93Å; G200-I203 PolarHBondContact O-N 2.9Å; G200-L204 VanDerWaalsContact O-CB 3.25Å; G200-L204 WeakPolarHBondContact O-CB 3.38Å; G200-L204 PolarHBondContact O-N 3.46Å; G200-Y223 WeakPolarHBondContact CA-OH 3.39Å; G200-Y223 PolarHBondContact N-OH 3.03Å; G200-Y223 VanDerWaalsContact N-OH 3.08Å |
| 201 | F | 91.6 | Very high | 90.3 | Very high | 76 Ų | 76 | 77.1 Ų | 77.1 | 33% | 0.333 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.7 | -40.2 | 174.4 | -75.3 | -85.9 | 0 | 0 | 0 | 112.4 | E144 K197 L198 L204 G205 | E144-F201 HydrophobicContact CB-CD1 4.26Å; E144-F201 HydrophobicContact CB-CE1 3.57Å; E144-F201 HydrophobicContact CB-CE2 3.88Å; E144-F201 HydrophobicContact CB-CZ 3.35Å; E144-F201 HydrophobicContact CG-CE1 4.36Å; E144-F201 HydrophobicContact CG-CZ 4.46Å; K197-F201 PolarHBondContact O-N 2.94Å; L198-F201 PolarHBondContact O-N 3Å; F201-L204 PolarHBondContact O-N 3.43Å; F201-G205 PolarHBondContact O-N 2.85Å; F201-G205 VanDerWaalsContact O-N 3.11Å |
| 202 | I | 92.2 | Very high | 89.2 | Confident | 87 Ų | 87 | 75.1 Ų | 75.1 | 45% | 0.446 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 178.6 | -66.1 | 171.5 | 0 | 0 | 0 | 111.1 | L198 P199 G200 L204 G205 Y206 | L198-I202 HydrophobicContact CD2-CD1 3.64Å; L198-I202 HydrophobicContact CG-CD1 4.47Å; L198-I202 WeakPolarHBondContact O-CG1 3.3Å; L198-I202 PolarHBondContact O-N 3.33Å; P199-I202 PolarHBondContact O-N 3.28Å; G200-I202 VanDerWaalsContact C-N 3.29Å; G200-I202 PolarHBondContact O-N 2.93Å; I202-L204 PolarHBondContact O-N 2.95Å; I202-G205 PolarHBondContact O-N 3.32Å; I202-Y206 HydrophobicContact CG2-CD2 3.69Å; I202-Y206 HydrophobicContact CG2-CE2 3.59Å; I202-Y206 VanDerWaalsContact O-CD2 3.31Å; I202-Y206 WeakPolarHBondContact O-CD2 3.35Å; I202-Y206 PolarHBondContact O-N 3.45Å; I202-Y206 VanDerWaalsContact O-N 3.11Å |
| 203 | I | 89.5 | Confident | 88.8 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 11% | 0.108 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.2 | -39.2 | 177.5 | -65.6 | 159.3 | 0 | 0 | 0 | 110.8 | P199 G200 Y206 A207 F219 R220 Y223 | P199-I203 WeakPolarHBondContact O-CD1 3.34Å; P199-I203 WeakPolarHBondContact O-CG1 3.28Å; P199-I203 PolarHBondContact O-N 3.47Å; G200-I203 PolarHBondContact O-N 2.9Å; I203-Y206 PolarHBondContact O-N 3.49Å; I203-A207 WeakPolarHBondContact O-CB 3.34Å; I203-A207 PolarHBondContact O-N 3.32Å; I203-F219 HydrophobicContact CD1-CD1 3.94Å; I203-F219 HydrophobicContact CD1-CE1 3.77Å; I203-F219 HydrophobicContact CG1-CD1 4.39Å; I203-F219 HydrophobicContact CG1-CE1 4.31Å; I203-R220 HydrophobicContact CG2-CB 4.3Å; I203-R220 HydrophobicContact CG2-CG 4.36Å; I203-Y223 HydrophobicContact CD1-CD1 4.2Å; I203-Y223 HydrophobicContact CD1-CG 4.24Å |
| 204 | L | 85 | Confident | 88.3 | Confident | 63 Ų | 63 | 84 Ų | 84 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.9 | -36.3 | -178.4 | -165.3 | 60.3 | 0 | 0 | 0 | 112.5 | T140 E144 G200 F201 I202 | T140-L204 HydrophobicContact CG2-CD1 4.26Å; T140-L204 HydrophobicContact CG2-CD2 3.32Å; T140-L204 HydrophobicContact CG2-CG 3.78Å; E144-L204 HydrophobicContact CG-CD2 3.69Å; G200-L204 VanDerWaalsContact O-CB 3.25Å; G200-L204 WeakPolarHBondContact O-CB 3.38Å; G200-L204 PolarHBondContact O-N 3.46Å; F201-L204 PolarHBondContact O-N 3.43Å; I202-L204 PolarHBondContact O-N 2.95Å |
| 205 | G | 87.1 | Confident | 88 | Confident | 49 Ų | 49 | 84.8 Ų | 84.8 | 51% | 0.505 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.8 | -50.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F201 I202 A207 K208 | F201-G205 PolarHBondContact O-N 2.85Å; F201-G205 VanDerWaalsContact O-N 3.11Å; I202-G205 PolarHBondContact O-N 3.32Å; G205-A207 VanDerWaalsContact C-N 3.29Å; G205-A207 PolarHBondContact O-N 2.95Å; G205-K208 PolarHBondContact O-N 3.46Å |
| 206 | Y | 87.4 | Confident | 87.6 | Confident | 141 Ų | 141 | 81.9 Ų | 81.9 | 55% | 0.553 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.6 | -28.8 | -178.8 | -81.1 | -64.7 | 0 | 0 | 0 | 114.2 | I202 I203 K208 E209 I210 | I202-Y206 HydrophobicContact CG2-CD2 3.69Å; I202-Y206 HydrophobicContact CG2-CE2 3.59Å; I202-Y206 VanDerWaalsContact O-CD2 3.31Å; I202-Y206 WeakPolarHBondContact O-CD2 3.35Å; I202-Y206 PolarHBondContact O-N 3.45Å; I202-Y206 VanDerWaalsContact O-N 3.11Å; I203-Y206 PolarHBondContact O-N 3.49Å; Y206-K208 PolarHBondContact O-N 2.88Å; Y206-E209 PolarHBondContact O-N 2.97Å; Y206-I210 HydrophobicContact CD1-CD1 4.24Å |
| 207 | A | 82.1 | Confident | 87.2 | Confident | 54 Ų | 54 | 81.7 Ų | 81.7 | 45% | 0.446 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -12.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | I203 G205 | I203-A207 WeakPolarHBondContact O-CB 3.34Å; I203-A207 PolarHBondContact O-N 3.32Å; G205-A207 VanDerWaalsContact C-N 3.29Å; G205-A207 PolarHBondContact O-N 2.95Å |
| 208 | K | 80.2 | Confident | 86.9 | Confident | 158 Ų | 158 | 84.8 Ų | 84.8 | 69% | 0.687 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -25.8 | -179 | -171.1 | 176.1 | 177.9 | -175.9 | 0 | 114.5 | G205 Y206 | G205-K208 PolarHBondContact O-N 3.46Å; Y206-K208 PolarHBondContact O-N 2.88Å |
| 209 | E | 82.3 | Confident | 86.8 | Confident | 163 Ų | 163 | 86.3 Ų | 86.3 | 76% | 0.762 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | -19.8 | -165.3 | -68 | -175.5 | 173.1 | 0 | 0 | 114.8 | Y206 | Y206-E209 PolarHBondContact O-N 2.97Š|
| 210 | I | 80.2 | Confident | 86.6 | Confident | 96 Ų | 96 | 88.2 Ų | 88.2 | 49% | 0.492 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -122.1 | 129.8 | -171.4 | -55.1 | 178.2 | 0 | 0 | 0 | 109.9 | Y206 S212 | Y206-I210 HydrophobicContact CD1-CD1 4.24Å; I210-S212 WeakPolarHBondContact O-CA 3.3Å; I210-S212 PolarHBondContact O-N 3.45Å |
| 211 | N | 81.5 | Confident | 86.6 | Confident | 163 Ų | 163 | 92 Ų | 92 | 87% | 0.872 | 47% | 0.467 | S | S | * | . | trans | -50.7 | 105.2 | 167.1 | -77.8 | -25.3 | 0 | 0 | 0 | 108.9 | S213 | N211-S213 PolarHBondContact O-N 3.46Š| ||
| 212 | S | 75.3 | Confident | 86.6 | Confident | 60 Ų | 60 | 92.7 Ų | 92.7 | 42% | 0.42 | 47% | 0.473 | S | S | . | . | trans | -64.9 | 105.4 | -157.7 | -170.9 | 0 | 0 | 0 | 0 | 111.6 | I210 Y214 I217 | I210-S212 WeakPolarHBondContact O-CA 3.3Å; I210-S212 PolarHBondContact O-N 3.45Å; S212-Y214 PolarHBondContact O-N 3.32Å; S212-I217 WeakPolarHBondContact OG-CG1 3.16Å | ||
| 213 | S | 87.8 | Confident | 86.7 | Confident | 65 Ų | 65 | 90 Ų | 90 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | trans | -56.2 | 137.1 | 174 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | N211 T215 I216 I217 | N211-S213 PolarHBondContact O-N 3.46Å; S213-T215 PolarHBondContact O-N 2.85Å; S213-I216 WeakPolarHBondContact O-CB 3.04Å; S213-I216 PolarHBondContact O-N 3.25Å; S213-I217 PolarHBondContact O-N 3.11Å | ||
| 214 | Y | 88.4 | Confident | 86.7 | Confident | 173 Ų | 173 | 89.6 Ų | 89.6 | 68% | 0.678 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -48.4 | -34.9 | -178.2 | -178.5 | -106.7 | 0 | 0 | 0 | 113.1 | S212 I216 I217 I218 | S212-Y214 PolarHBondContact O-N 3.32Å; Y214-I216 PolarHBondContact O-N 3Å; Y214-I217 WeakPolarHBondContact O-CB 3.19Å; Y214-I217 PolarHBondContact O-N 3.29Å; Y214-I218 HydrophobicContact CD1-CD1 3.81Å; Y214-I218 HydrophobicContact CE1-CD1 3.28Å; Y214-I218 HydrophobicContact CE1-CG1 4.21Å; Y214-I218 PolarHBondContact O-N 3.35Å |
| 215 | T | 89.8 | Confident | 87 | Confident | 100 Ų | 100 | 93.4 Ų | 93.4 | 61% | 0.613 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.1 | -39.9 | 174.6 | -50 | 0 | 0 | 0 | 0 | 113.4 | S213 I217 I218 F219 | S213-T215 PolarHBondContact O-N 2.85Å; T215-I217 VanDerWaalsContact C-N 3.35Å; T215-I218 PolarHBondContact O-N 3.46Å; T215-F219 WeakPolarHBondContact O-CB 3.26Å; T215-F219 PolarHBondContact O-N 3.1Å |
| 216 | I | 89.1 | Confident | 87.3 | Confident | 62 Ų | 62 | 94.7 Ų | 94.7 | 32% | 0.318 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 178.4 | -58.5 | 175.5 | 0 | 0 | 0 | 109.9 | S213 Y214 F219 R220 | S213-I216 WeakPolarHBondContact O-CB 3.04Å; S213-I216 PolarHBondContact O-N 3.25Å; Y214-I216 PolarHBondContact O-N 3Å; I216-F219 PolarHBondContact O-N 3.45Å; I216-R220 VanDerWaalsContact O-CB 3.3Å; I216-R220 WeakPolarHBondContact O-CB 3.46Å; I216-R220 PolarHBondContact O-N 3.08Å |
| 217 | I | 87 | Confident | 87.6 | Confident | 45 Ų | 45 | 88.6 Ų | 88.6 | 23% | 0.231 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 176.9 | -55.8 | 177 | 0 | 0 | 0 | 110.5 | S212 S213 Y214 T215 K221 T423 | S212-I217 WeakPolarHBondContact OG-CG1 3.16Å; S213-I217 PolarHBondContact O-N 3.11Å; Y214-I217 WeakPolarHBondContact O-CB 3.19Å; Y214-I217 PolarHBondContact O-N 3.29Å; T215-I217 VanDerWaalsContact C-N 3.35Å; I217-K221 WeakPolarHBondContact O-CG 3.43Å; I217-K221 PolarHBondContact O-N 3.29Å; I217-T423 HydrophobicContact CG2-CG2 4.26Å |
| 218 | I | 90.2 | Very high | 88 | Confident | 69 Ų | 69 | 86.1 Ų | 86.1 | 35% | 0.354 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 174.7 | -71.8 | 178.2 | 0 | 0 | 0 | 110.9 | Y214 T215 R220 K221 I222 | Y214-I218 HydrophobicContact CD1-CD1 3.81Å; Y214-I218 HydrophobicContact CE1-CD1 3.28Å; Y214-I218 HydrophobicContact CE1-CG1 4.21Å; Y214-I218 PolarHBondContact O-N 3.35Å; T215-I218 PolarHBondContact O-N 3.46Å; I218-R220 VanDerWaalsContact C-N 3.31Å; I218-R220 PolarHBondContact O-N 2.68Å; I218-K221 PolarHBondContact O-N 3.02Å; I218-K221 VanDerWaalsContact O-N 3.12Å; I218-I222 HydrophobicContact CG2-CD1 3.64Å; I218-I222 HydrophobicContact CG2-CG1 4.3Å; I218-I222 WeakPolarHBondContact O-CG1 3.31Å; I218-I222 PolarHBondContact O-N 3.25Å |
| 219 | F | 91.5 | Very high | 88.5 | Confident | 114 Ų | 114 | 80.1 Ų | 80.1 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59 | -43 | -179.8 | -175.8 | -108.3 | 0 | 0 | 0 | 111.7 | I203 T215 I216 K221 I222 Y223 | I203-F219 HydrophobicContact CD1-CD1 3.94Å; I203-F219 HydrophobicContact CD1-CE1 3.77Å; I203-F219 HydrophobicContact CG1-CD1 4.39Å; I203-F219 HydrophobicContact CG1-CE1 4.31Å; T215-F219 WeakPolarHBondContact O-CB 3.26Å; T215-F219 PolarHBondContact O-N 3.1Å; I216-F219 PolarHBondContact O-N 3.45Å; F219-K221 PolarHBondContact O-N 3.42Å; F219-I222 PolarHBondContact O-N 2.9Å; F219-Y223 VanDerWaalsContact O-CB 3.23Å; F219-Y223 WeakPolarHBondContact O-CB 3.4Å; F219-Y223 PolarHBondContact O-N 2.9Å |
| 220 | R | 89.9 | Confident | 89 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 33% | 0.328 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 173.8 | 178.7 | 176.2 | 168.3 | -172.4 | -4.9 | 112.1 | I203 I216 I218 Y223 I224 | I203-R220 HydrophobicContact CG2-CB 4.3Å; I203-R220 HydrophobicContact CG2-CG 4.36Å; I216-R220 VanDerWaalsContact O-CB 3.3Å; I216-R220 WeakPolarHBondContact O-CB 3.46Å; I216-R220 PolarHBondContact O-N 3.08Å; I218-R220 VanDerWaalsContact C-N 3.31Å; I218-R220 PolarHBondContact O-N 2.68Å; R220-Y223 PolarHBondContact O-N 3.24Å; R220-I224 HydrophobicContact CG-CD1 3.77Å; R220-I224 WeakPolarHBondContact O-CB 3.45Å; R220-I224 WeakPolarHBondContact O-CD1 3.3Å; R220-I224 WeakPolarHBondContact O-CG1 3.43Å; R220-I224 PolarHBondContact O-N 3.36Å |
| 221 | K | 90.1 | Very high | 89.6 | Confident | 87 Ų | 87 | 72.5 Ų | 72.5 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 176.3 | -74.9 | 178.7 | 179.5 | -178.3 | 0 | 112 | I217 I218 F219 I224 W225 T423 | I217-K221 WeakPolarHBondContact O-CG 3.43Å; I217-K221 PolarHBondContact O-N 3.29Å; I218-K221 PolarHBondContact O-N 3.02Å; I218-K221 VanDerWaalsContact O-N 3.12Å; F219-K221 PolarHBondContact O-N 3.42Å; K221-I224 PolarHBondContact O-N 3.12Å; K221-W225 WeakPolarHBondContact O-CB 3.23Å; K221-W225 PolarHBondContact O-N 2.94Å; K221-T423 HydrophobicContact CD-CG2 4.46Å; K221-T423 HydrophobicContact CG-CG2 4.33Å |
| 222 | I | 92.4 | Very high | 90.1 | Very high | 89 Ų | 89 | 64.8 Ų | 64.8 | 46% | 0.456 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 178.7 | -66.5 | 172.5 | 0 | 0 | 0 | 110.7 | I218 F219 I224 W225 I226 | I218-I222 HydrophobicContact CG2-CD1 3.64Å; I218-I222 HydrophobicContact CG2-CG1 4.3Å; I218-I222 WeakPolarHBondContact O-CG1 3.31Å; I218-I222 PolarHBondContact O-N 3.25Å; F219-I222 PolarHBondContact O-N 2.9Å; I222-I224 PolarHBondContact O-N 2.83Å; I222-W225 PolarHBondContact O-N 3.48Å; I222-I226 HydrophobicContact CG2-CD1 3.62Å; I222-I226 HydrophobicContact CG2-CG1 4.3Å; I222-I226 WeakPolarHBondContact O-CG1 3.35Å; I222-I226 PolarHBondContact O-N 3.5Å |
| 223 | Y | 93.2 | Very high | 90.9 | Very high | 30 Ų | 30 | 64.4 Ų | 64.4 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.2 | -47 | 177.1 | 173 | -96.4 | 0 | 0 | 0 | 112 | I196 K197 P199 G200 I203 F219 R220 W225 I226 V227 | I196-Y223 PolarHBondContact O-OH 2.97Å; I196-Y223 VanDerWaalsContact O-OH 3.12Å; K197-Y223 WeakPolarHBondContact CA-OH 3.38Å; K197-Y223 PolarHBondContact O-OH 3.03Å; P199-Y223 HydrophobicContact CB-CD2 4.42Å; P199-Y223 HydrophobicContact CB-CE2 3.82Å; P199-Y223 HydrophobicContact CG-CE2 4.29Å; G200-Y223 WeakPolarHBondContact CA-OH 3.39Å; G200-Y223 PolarHBondContact N-OH 3.03Å; G200-Y223 VanDerWaalsContact N-OH 3.08Å; I203-Y223 HydrophobicContact CD1-CD1 4.2Å; I203-Y223 HydrophobicContact CD1-CG 4.24Å; F219-Y223 VanDerWaalsContact O-CB 3.23Å; F219-Y223 WeakPolarHBondContact O-CB 3.4Å; F219-Y223 PolarHBondContact O-N 2.9Å; R220-Y223 PolarHBondContact O-N 3.24Å; Y223-W225 VanDerWaalsContact C-N 3.33Å; Y223-W225 PolarHBondContact O-N 2.84Å; Y223-I226 PolarHBondContact O-N 3.44Å; Y223-V227 HydrophobicContact CD2-CG2 3.79Å; Y223-V227 HydrophobicContact CE2-CB 4.33Å; Y223-V227 HydrophobicContact CE2-CG2 3.55Å; Y223-V227 HydrophobicContact CG-CG2 4.46Å; Y223-V227 WeakPolarHBondContact O-CB 3.48Å; Y223-V227 PolarHBondContact O-N 3.25Å |
| 224 | I | 90.4 | Very high | 91.1 | Very high | 14 Ų | 14 | 64.9 Ų | 64.9 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176.2 | -69.9 | 163 | 0 | 0 | 0 | 110.6 | R220 K221 I222 Q228 R419 F420 | R220-I224 HydrophobicContact CG-CD1 3.77Å; R220-I224 WeakPolarHBondContact O-CB 3.45Å; R220-I224 WeakPolarHBondContact O-CD1 3.3Å; R220-I224 WeakPolarHBondContact O-CG1 3.43Å; R220-I224 PolarHBondContact O-N 3.36Å; K221-I224 PolarHBondContact O-N 3.12Å; I222-I224 PolarHBondContact O-N 2.83Å; I224-Q228 HydrophobicContact CG2-CB 4.38Å; I224-Q228 WeakPolarHBondContact O-CA 3.49Å; I224-Q228 WeakPolarHBondContact O-CB 3.39Å; I224-Q228 PolarHBondContact O-N 3.44Å; I224-R419 HydrophobicContact CD1-CB 4.31Å; I224-R419 HydrophobicContact CG2-CB 4.45Å; I224-F420 HydrophobicContact CG2-CE2 4.29Å |
| 225 | W | 91.4 | Very high | 91.5 | Very high | 142 Ų | 142 | 59.3 Ų | 59.3 | 54% | 0.538 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -63.9 | -48.3 | 179.7 | -165.9 | 88.6 | 0 | 0 | 0 | 112.2 | K221 I222 Y223 I229 L230 | K221-W225 WeakPolarHBondContact O-CB 3.23Å; K221-W225 PolarHBondContact O-N 2.94Å; I222-W225 PolarHBondContact O-N 3.48Å; Y223-W225 VanDerWaalsContact C-N 3.33Å; Y223-W225 PolarHBondContact O-N 2.84Å; W225-I229 HydrophobicContact CG-CD1 4.25Å; W225-I229 VanDerWaalsContact O-CB 3.28Å; W225-I229 WeakPolarHBondContact O-CB 3.43Å; W225-I229 PolarHBondContact O-N 3.31Å; W225-L230 PolarHBondContact O-N 3.31Å |
| 226 | I | 93.8 | Very high | 91.8 | Very high | 77 Ų | 77 | 54.6 Ų | 54.6 | 40% | 0.395 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -68.5 | -48.4 | -179.5 | -65 | 175.4 | 0 | 0 | 0 | 111.4 | I222 Y223 L230 L231 | I222-I226 HydrophobicContact CG2-CD1 3.62Å; I222-I226 HydrophobicContact CG2-CG1 4.3Å; I222-I226 WeakPolarHBondContact O-CG1 3.35Å; I222-I226 PolarHBondContact O-N 3.5Å; Y223-I226 PolarHBondContact O-N 3.44Å; I226-L230 WeakPolarHBondContact O-CB 3.44Å; I226-L230 PolarHBondContact O-N 3.11Å; I226-L231 WeakPolarHBondContact O-CB 3.46Å; I226-L231 PolarHBondContact O-N 2.86Å |
| 227 | V | 92.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -79.7 | -46 | -173.8 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | I196 Y223 F232 | I196-V227 HydrophobicContact CG2-CG1 3.7Å; I196-V227 HydrophobicContact CG2-CG2 4.36Å; Y223-V227 HydrophobicContact CD2-CG2 3.79Å; Y223-V227 HydrophobicContact CE2-CB 4.33Å; Y223-V227 HydrophobicContact CE2-CG2 3.55Å; Y223-V227 HydrophobicContact CG-CG2 4.46Å; Y223-V227 WeakPolarHBondContact O-CB 3.48Å; Y223-V227 PolarHBondContact O-N 3.25Å; V227-F232 WeakPolarHBondContact O-CB 3.19Å; V227-F232 PolarHBondContact O-N 2.93Å; V227-F232 VanDerWaalsContact O-N 3.12Å |
| 228 | Q | 90.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -84.8 | -30.6 | -173.9 | -158 | 75 | 3.6 | 0 | 0 | 113.5 | D147 I224 F232 V416 | D147-Q228 PolarHBondContact OD1-NE2 3.34Å; D147-Q228 PolarHBondContact OD2-NE2 2.89Å; D147-Q228 PolarHBondContact OD2-OE1 3.23Å; I224-Q228 HydrophobicContact CG2-CB 4.38Å; I224-Q228 WeakPolarHBondContact O-CA 3.49Å; I224-Q228 WeakPolarHBondContact O-CB 3.39Å; I224-Q228 PolarHBondContact O-N 3.44Å; Q228-F232 WeakPolarHBondContact O-CB 3.34Å; Q228-V416 HydrophobicContact CB-CG2 4.22Å; Q228-V416 HydrophobicContact CG-CG2 3.73Å |
| 229 | I | 90.1 | Very high | 92.6 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 16% | 0.164 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -96.8 | -61.8 | 178.6 | -50 | -179.6 | 0 | 0 | 0 | 110.4 | W225 L233 I234 V416 F420 | W225-I229 HydrophobicContact CG-CD1 4.25Å; W225-I229 VanDerWaalsContact O-CB 3.28Å; W225-I229 WeakPolarHBondContact O-CB 3.43Å; W225-I229 PolarHBondContact O-N 3.31Å; I229-L233 WeakPolarHBondContact O-CB 3.5Å; I229-L233 PolarHBondContact O-N 3.05Å; I229-I234 HydrophobicContact CG2-CD1 3.87Å; I229-I234 HydrophobicContact CG2-CG1 4.29Å; I229-I234 PolarHBondContact O-N 3.47Å; I229-V416 HydrophobicContact CD1-CG1 3.68Å; I229-V416 HydrophobicContact CD1-CG2 4.42Å; I229-V416 HydrophobicContact CG1-CG1 3.97Å; I229-V416 HydrophobicContact CG1-CG2 3.78Å; I229-F420 HydrophobicContact CD1-CE2 4.28Å |
| 230 | L | 93.9 | Very high | 92.7 | Very high | 62 Ų | 62 | 49.2 Ų | 49.2 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -67.5 | -51 | -172.4 | 178.1 | 65.4 | 0 | 0 | 0 | 112 | W225 I226 I234 I235 | W225-L230 PolarHBondContact O-N 3.31Å; I226-L230 WeakPolarHBondContact O-CB 3.44Å; I226-L230 PolarHBondContact O-N 3.11Å; L230-I234 HydrophobicContact CD1-CB 4.27Å; L230-I234 HydrophobicContact CD1-CG2 4.28Å; L230-I234 PolarHBondContact O-N 3.47Å; L230-I235 HydrophobicContact CD1-CD1 4.06Å; L230-I235 HydrophobicContact CD1-CG1 4Å; L230-I235 HydrophobicContact CD2-CD1 4.49Å; L230-I235 HydrophobicContact CG-CD1 3.84Å; L230-I235 HydrophobicContact CG-CG1 4.26Å; L230-I235 WeakPolarHBondContact O-CB 3.33Å; L230-I235 WeakPolarHBondContact O-CG1 3.38Å; L230-I235 PolarHBondContact O-N 3.47Å |
| 231 | L | 93.7 | Very high | 92.9 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -85.3 | -30.9 | -170.2 | -171.4 | 65 | 0 | 0 | 0 | 114.6 | W155 I196 I226 I235 P236 | W155-L231 HydrophobicContact CZ2-CD1 3.82Å; I196-L231 HydrophobicContact CB-CD2 4.44Å; I196-L231 HydrophobicContact CD1-CD2 3.73Å; I196-L231 HydrophobicContact CG1-CD2 4.02Å; I196-L231 HydrophobicContact CG2-CD2 3.54Å; I226-L231 WeakPolarHBondContact O-CB 3.46Å; I226-L231 PolarHBondContact O-N 2.86Å; L231-I235 HydrophobicContact CD1-CD1 4.31Å; L231-P236 WeakPolarHBondContact O-CD 3.44Å; L231-P236 VanDerWaalsContact O-CG 3.28Å; L231-P236 WeakPolarHBondContact O-CG 3.22Å |
| 232 | F | 92.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -87 | -39.6 | 179.2 | -172.8 | -68.9 | 0 | 0 | 0 | 112.6 | D147 L150 L151 N154 V227 Q228 P236 Q408 V412 | D147-F232 WeakPolarHBondContact O-CE2 3.33Å; L150-F232 HydrophobicContact CB-CE2 3.85Å; L150-F232 HydrophobicContact CB-CZ 3.52Å; L150-F232 HydrophobicContact CD1-CZ 4.4Å; L151-F232 HydrophobicContact CB-CD2 3.86Å; L151-F232 HydrophobicContact CB-CE2 3.99Å; L151-F232 HydrophobicContact CD1-CB 4.17Å; L151-F232 HydrophobicContact CD1-CD2 3.85Å; L151-F232 HydrophobicContact CD1-CG 4.26Å; L151-F232 HydrophobicContact CG-CD2 4.41Å; N154-F232 WeakPolarHBondContact ND2-CD1 3.3Å; N154-F232 WeakPolarHBondContact ND2-CE1 3.23Å; N154-F232 PolarHBondContact ND2-O 3.27Å; V227-F232 WeakPolarHBondContact O-CB 3.19Å; V227-F232 PolarHBondContact O-N 2.93Å; V227-F232 VanDerWaalsContact O-N 3.12Å; Q228-F232 WeakPolarHBondContact O-CB 3.34Å; F232-P236 WeakPolarHBondContact O-CG 3.45Å; F232-Q408 VanDerWaalsContact CE1-NE2 3.33Å; F232-V412 HydrophobicContact CD1-CG1 4.14Å; F232-V412 HydrophobicContact CD1-CG2 3.67Å; F232-V412 HydrophobicContact CE1-CB 4.46Å; F232-V412 HydrophobicContact CE1-CG1 4.44Å; F232-V412 HydrophobicContact CE1-CG2 3.19Å; F232-V412 HydrophobicContact CZ-CG2 4.08Å |
| 233 | L | 90.4 | Very high | 93.3 | Very high | 51 Ų | 51 | 45 Ų | 45 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -103.1 | -67.4 | -175.4 | -172.5 | 68 | 0 | 0 | 0 | 111.9 | I229 I235 F237 V412 | I229-L233 WeakPolarHBondContact O-CB 3.5Å; I229-L233 PolarHBondContact O-N 3.05Å; L233-I235 PolarHBondContact O-N 2.89Å; L233-F237 WeakPolarHBondContact O-CB 3.47Å; L233-F237 PolarHBondContact O-N 3.03Å; L233-V412 HydrophobicContact CB-CG1 4.21Å; L233-V412 HydrophobicContact CD2-CG1 4.34Å |
| 234 | I | 93.2 | Very high | 93.2 | Very high | 75 Ų | 75 | 43.7 Ų | 43.7 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -64.6 | -48.3 | -165.4 | -62.1 | 175.9 | 0 | 0 | 0 | 112.5 | I229 L230 S238 | I229-I234 HydrophobicContact CG2-CD1 3.87Å; I229-I234 HydrophobicContact CG2-CG1 4.29Å; I229-I234 PolarHBondContact O-N 3.47Å; L230-I234 HydrophobicContact CD1-CB 4.27Å; L230-I234 HydrophobicContact CD1-CG2 4.28Å; L230-I234 PolarHBondContact O-N 3.47Å; I234-S238 WeakPolarHBondContact O-CB 3.31Å; I234-S238 PolarHBondContact O-N 2.86Å; I234-S238 PolarHBondContact O-OG 3.34Å |
| 235 | I | 96.2 | Very high | 93.3 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 29% | 0.287 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.6 | -53.9 | -176.4 | -70 | 170.5 | 0 | 0 | 0 | 111.4 | W155 L230 L231 L233 F237 S238 I239 | W155-I235 HydrophobicContact CH2-CG2 3.67Å; W155-I235 HydrophobicContact CZ2-CG2 4.11Å; L230-I235 HydrophobicContact CD1-CD1 4.06Å; L230-I235 HydrophobicContact CD1-CG1 4Å; L230-I235 HydrophobicContact CD2-CD1 4.49Å; L230-I235 HydrophobicContact CG-CD1 3.84Å; L230-I235 HydrophobicContact CG-CG1 4.26Å; L230-I235 WeakPolarHBondContact O-CB 3.33Å; L230-I235 WeakPolarHBondContact O-CG1 3.38Å; L230-I235 PolarHBondContact O-N 3.47Å; L231-I235 HydrophobicContact CD1-CD1 4.31Å; L233-I235 PolarHBondContact O-N 2.89Å; I235-F237 VanDerWaalsContact C-N 3.27Å; I235-F237 PolarHBondContact O-N 2.99Å; I235-S238 PolarHBondContact O-N 3.45Å; I235-I239 HydrophobicContact CG2-CD1 3.79Å; I235-I239 WeakPolarHBondContact O-CG1 3.28Å; I235-I239 PolarHBondContact O-N 2.88Å |
| 236 | P | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -41 | 177.6 | -27.8 | 38.2 | 0 | 0 | 0 | 112.2 | N154 W155 V158 L231 F232 L240 | N154-P236 HydrophobicContact CB-CB 4.38Å; W155-P236 HydrophobicContact CZ2-CG 4.04Å; V158-P236 HydrophobicContact CG2-CB 3.79Å; V158-P236 WeakPolarHBondContact CG2-O 3.43Å; L231-P236 WeakPolarHBondContact O-CD 3.44Å; L231-P236 VanDerWaalsContact O-CG 3.28Å; L231-P236 WeakPolarHBondContact O-CG 3.22Å; F232-P236 WeakPolarHBondContact O-CG 3.45Å; P236-L240 WeakPolarHBondContact O-CB 3.41Å; P236-L240 PolarHBondContact O-N 3.24Å |
| 237 | F | 92.3 | Very high | 93.5 | Very high | 52 Ų | 52 | 41.2 Ų | 41.2 | 23% | 0.228 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 177.9 | 172.3 | -110.6 | 0 | 0 | 0 | 112.9 | L233 I235 L240 T241 F405 | L233-F237 WeakPolarHBondContact O-CB 3.47Å; L233-F237 PolarHBondContact O-N 3.03Å; I235-F237 VanDerWaalsContact C-N 3.27Å; I235-F237 PolarHBondContact O-N 2.99Å; F237-L240 PolarHBondContact O-N 2.93Å; F237-T241 WeakPolarHBondContact CE2-OG1 3.38Å; F237-T241 HydrophobicContact CZ-CG2 4.42Å; F237-T241 WeakPolarHBondContact CZ-OG1 3.32Å; F237-T241 WeakPolarHBondContact O-CB 3.25Å; F237-T241 PolarHBondContact O-N 2.72Å; F237-T241 PolarHBondContact O-OG1 2.72Å; F237-T241 VanDerWaalsContact O-OG1 3.1Å; F237-F405 HydrophobicContact CD1-CZ 4.48Å; F237-F405 HydrophobicContact CD2-CE1 4.04Å; F237-F405 AromaticContact CD2-CE2 3.95Å; F237-F405 HydrophobicContact CD2-CE2 3.95Å; F237-F405 AromaticContact CD2-CZ 3.65Å; F237-F405 HydrophobicContact CD2-CZ 3.65Å; F237-F405 AromaticContact CE1-CZ 3.92Å; F237-F405 HydrophobicContact CE1-CZ 3.92Å; F237-F405 HydrophobicContact CE2-CD2 4.14Å; F237-F405 AromaticContact CE2-CE1 3.83Å; F237-F405 HydrophobicContact CE2-CE1 3.83Å; F237-F405 AromaticContact CE2-CE2 3.15Å; F237-F405 HydrophobicContact CE2-CE2 3.15Å; F237-F405 AromaticContact CE2-CZ 2.99Å; F237-F405 HydrophobicContact CE2-CZ 2.99Å; F237-F405 HydrophobicContact CG-CZ 4.38Å; F237-F405 HydrophobicContact CZ-CE1 4.11Å; F237-F405 AromaticContact CZ-CE2 3.66Å; F237-F405 HydrophobicContact CZ-CE2 3.66Å; F237-F405 AromaticContact CZ-CZ 3.16Å; F237-F405 HydrophobicContact CZ-CZ 3.16Å |
| 238 | S | 95 | Very high | 93.4 | Very high | 60 Ų | 60 | 42.6 Ų | 42.6 | 42% | 0.42 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.4 | -43 | -179.6 | -67 | 0 | 0 | 0 | 0 | 111.7 | I234 I235 F242 | I234-S238 WeakPolarHBondContact O-CB 3.31Å; I234-S238 PolarHBondContact O-N 2.86Å; I234-S238 PolarHBondContact O-OG 3.34Å; I235-S238 PolarHBondContact O-N 3.45Å; S238-F242 VanDerWaalsContact O-CB 3.26Å; S238-F242 WeakPolarHBondContact O-CB 3.4Å; S238-F242 PolarHBondContact O-N 3.18Å |
| 239 | I | 96.7 | Very high | 93.6 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 30% | 0.303 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 174.9 | -60.5 | 167.7 | 0 | 0 | 0 | 110 | W155 V158 I235 T241 F242 V243 | W155-I239 HydrophobicContact CH2-CD1 4.39Å; W155-I239 HydrophobicContact CZ3-CD1 4.22Å; V158-I239 HydrophobicContact CG1-CB 4.06Å; V158-I239 HydrophobicContact CG1-CD1 4.5Å; V158-I239 HydrophobicContact CG1-CG2 3.54Å; I235-I239 HydrophobicContact CG2-CD1 3.79Å; I235-I239 WeakPolarHBondContact O-CG1 3.28Å; I235-I239 PolarHBondContact O-N 2.88Å; I239-T241 PolarHBondContact O-N 3.12Å; I239-F242 PolarHBondContact O-N 3.06Å; I239-V243 HydrophobicContact CG2-CG2 4Å; I239-V243 VanDerWaalsContact O-CB 3.27Å; I239-V243 WeakPolarHBondContact O-CB 3.4Å; I239-V243 WeakPolarHBondContact O-CG2 3.44Å; I239-V243 PolarHBondContact O-N 2.96Å |
| 240 | L | 94.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.5 | -48.9 | 179.3 | -174.5 | 64.6 | 0 | 0 | 0 | 111.1 | T157 A161 P236 F237 V243 N244 I401 | T157-L240 HydrophobicContact CG2-CD1 4.46Å; A161-L240 HydrophobicContact CB-CD1 3.51Å; P236-L240 WeakPolarHBondContact O-CB 3.41Å; P236-L240 PolarHBondContact O-N 3.24Å; F237-L240 PolarHBondContact O-N 2.93Å; L240-V243 PolarHBondContact O-N 3.24Å; L240-N244 VanDerWaalsContact CD1-ND2 3.27Å; L240-N244 WeakPolarHBondContact CD1-ND2 3.24Å; L240-N244 WeakPolarHBondContact CG-ND2 3.43Å; L240-N244 VanDerWaalsContact O-CB 3.27Å; L240-N244 WeakPolarHBondContact O-CB 3.15Å; L240-N244 PolarHBondContact O-N 3.15Å; L240-N244 PolarHBondContact O-ND2 3.12Å; L240-I401 HydrophobicContact CD2-CG1 4.29Å; L240-I401 HydrophobicContact CD2-CG2 4.47Å; L240-I401 HydrophobicContact CG-CG1 4.25Å |
| 241 | T | 92.8 | Very high | 93.6 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.6 | -48 | 177.8 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | F237 I239 V243 N244 V245 | F237-T241 WeakPolarHBondContact CE2-OG1 3.38Å; F237-T241 HydrophobicContact CZ-CG2 4.42Å; F237-T241 WeakPolarHBondContact CZ-OG1 3.32Å; F237-T241 WeakPolarHBondContact O-CB 3.25Å; F237-T241 PolarHBondContact O-N 2.72Å; F237-T241 PolarHBondContact O-OG1 2.72Å; F237-T241 VanDerWaalsContact O-OG1 3.1Å; I239-T241 PolarHBondContact O-N 3.12Å; T241-V243 PolarHBondContact O-N 3.37Å; T241-N244 PolarHBondContact O-N 2.95Å; T241-V245 HydrophobicContact CG2-CG2 4.24Å; T241-V245 WeakPolarHBondContact O-CB 3.33Å; T241-V245 VanDerWaalsContact O-CG2 3.3Å; T241-V245 WeakPolarHBondContact O-CG2 3.34Å; T241-V245 PolarHBondContact O-N 2.77Å |
| 242 | F | 95.7 | Very high | 93.6 | Very high | 117 Ų | 117 | 51.6 Ų | 51.6 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 178.1 | 174.1 | -96.9 | 0 | 0 | 0 | 111.9 | S238 I239 N244 V245 R246 | S238-F242 VanDerWaalsContact O-CB 3.26Å; S238-F242 WeakPolarHBondContact O-CB 3.4Å; S238-F242 PolarHBondContact O-N 3.18Å; I239-F242 PolarHBondContact O-N 3.06Å; F242-N244 VanDerWaalsContact C-N 3.29Å; F242-N244 PolarHBondContact O-N 2.74Å; F242-V245 PolarHBondContact O-N 2.73Å; F242-R246 HydrophobicContact CD1-CG 4.46Å; F242-R246 HydrophobicContact CD2-CG 4.48Å; F242-R246 HydrophobicContact CE1-CG 4.11Å; F242-R246 HydrophobicContact CE2-CG 4.14Å; F242-R246 HydrophobicContact CZ-CG 3.94Å; F242-R246 WeakPolarHBondContact O-CB 3.48Å; F242-R246 VanDerWaalsContact O-CG 3.29Å; F242-R246 WeakPolarHBondContact O-CG 3.43Å; F242-R246 PolarHBondContact O-N 3.5Å |
| 243 | V | 95.2 | Very high | 93.7 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.048 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 179.7 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | A161 Y165 I239 L240 T241 L247 | A161-V243 HydrophobicContact CB-CG1 4.13Å; A161-V243 WeakPolarHBondContact O-CG1 3.44Å; Y165-V243 VanDerWaalsContact CB-CG1 3.48Å; Y165-V243 HydrophobicContact CG-CG1 4.03Å; I239-V243 HydrophobicContact CG2-CG2 4Å; I239-V243 VanDerWaalsContact O-CB 3.27Å; I239-V243 WeakPolarHBondContact O-CB 3.4Å; I239-V243 WeakPolarHBondContact O-CG2 3.44Å; I239-V243 PolarHBondContact O-N 2.96Å; L240-V243 PolarHBondContact O-N 3.24Å; T241-V243 PolarHBondContact O-N 3.37Å; V243-L247 WeakPolarHBondContact O-CB 3.37Å; V243-L247 PolarHBondContact O-N 3.26Å |
| 244 | N | 91.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77.7 | -36.7 | -177 | -64.2 | -26.1 | 0 | 0 | 0 | 112.7 | L240 T241 F242 L247 I248 L397 I401 | L240-N244 VanDerWaalsContact CD1-ND2 3.27Å; L240-N244 WeakPolarHBondContact CD1-ND2 3.24Å; L240-N244 WeakPolarHBondContact CG-ND2 3.43Å; L240-N244 VanDerWaalsContact O-CB 3.27Å; L240-N244 WeakPolarHBondContact O-CB 3.15Å; L240-N244 PolarHBondContact O-N 3.15Å; L240-N244 PolarHBondContact O-ND2 3.12Å; T241-N244 PolarHBondContact O-N 2.95Å; F242-N244 VanDerWaalsContact C-N 3.29Å; F242-N244 PolarHBondContact O-N 2.74Å; N244-L247 PolarHBondContact O-N 2.92Å; N244-I248 VanDerWaalsContact O-CG1 3.27Å; N244-I248 WeakPolarHBondContact O-CG1 3.43Å; N244-I248 PolarHBondContact O-N 3.02Å; N244-L397 HydrophobicContact CB-CD2 4.34Å; N244-L397 WeakPolarHBondContact OD1-CD1 3.39Å; N244-L397 WeakPolarHBondContact OD1-CD2 3.4Å; N244-L397 WeakPolarHBondContact OD1-CG 3.46Å; N244-I401 HydrophobicContact CB-CD1 3.61Å; N244-I401 WeakPolarHBondContact ND2-CD1 3.48Å; N244-I401 WeakPolarHBondContact ND2-CG1 3.36Å |
| 245 | V | 93.5 | Very high | 93.6 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 169.7 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | T241 F242 L247 I248 Q249 | T241-V245 HydrophobicContact CG2-CG2 4.24Å; T241-V245 WeakPolarHBondContact O-CB 3.33Å; T241-V245 VanDerWaalsContact O-CG2 3.3Å; T241-V245 WeakPolarHBondContact O-CG2 3.34Å; T241-V245 PolarHBondContact O-N 2.77Å; F242-V245 PolarHBondContact O-N 2.73Å; V245-L247 PolarHBondContact O-N 2.78Å; V245-I248 PolarHBondContact O-N 3Å; V245-Q249 WeakPolarHBondContact O-CG 3.47Å; V245-Q249 PolarHBondContact O-N 3.45Å |
| 246 | R | 95.4 | Very high | 93.5 | Very high | 109 Ų | 109 | 58.1 Ų | 58.1 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 176 | -70.4 | -61 | -165.9 | -179.9 | 6.5 | 112.4 | Y165 F242 Q249 T250 | Y165-R246 HydrophobicContact CD2-CB 4.12Å; Y165-R246 HydrophobicContact CE2-CB 3.57Å; F242-R246 HydrophobicContact CD1-CG 4.46Å; F242-R246 HydrophobicContact CD2-CG 4.48Å; F242-R246 HydrophobicContact CE1-CG 4.11Å; F242-R246 HydrophobicContact CE2-CG 4.14Å; F242-R246 HydrophobicContact CZ-CG 3.94Å; F242-R246 WeakPolarHBondContact O-CB 3.48Å; F242-R246 VanDerWaalsContact O-CG 3.29Å; F242-R246 WeakPolarHBondContact O-CG 3.43Å; F242-R246 PolarHBondContact O-N 3.5Å; R246-Q249 VanDerWaalsContact NH1-OE1 3.15Å; R246-Q249 PolarHBondContact O-N 3.03Å; R246-T250 PolarHBondContact O-N 2.9Å; R246-T250 PolarHBondContact O-OG1 3.02Å |
| 247 | L | 92.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 174.3 | -173.3 | 148.6 | 0 | 0 | 0 | 111.7 | R164 Y165 V168 V243 N244 V245 Q249 T250 V251 T394 L397 | R164-L247 HydrophobicContact CB-CD1 4.45Å; Y165-L247 HydrophobicContact CD2-CB 4.42Å; V168-L247 HydrophobicContact CG2-CD1 4.24Å; V243-L247 WeakPolarHBondContact O-CB 3.37Å; V243-L247 PolarHBondContact O-N 3.26Å; N244-L247 PolarHBondContact O-N 2.92Å; V245-L247 PolarHBondContact O-N 2.78Å; L247-Q249 VanDerWaalsContact C-N 3.34Å; L247-Q249 PolarHBondContact O-N 3.37Å; L247-T250 PolarHBondContact O-N 3.41Å; L247-V251 HydrophobicContact CD2-CG2 4Å; L247-V251 WeakPolarHBondContact O-CG2 3.35Å; L247-V251 PolarHBondContact O-N 2.93Å; L247-T394 HydrophobicContact CD2-CG2 4Å; L247-L397 HydrophobicContact CB-CD2 4.41Å; L247-L397 HydrophobicContact CD1-CD2 3.67Å; L247-L397 HydrophobicContact CD2-CD2 3.81Å; L247-L397 HydrophobicContact CG-CD2 4.17Å |
| 248 | I | 91.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 62 Ų | 62 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 177.2 | -68.2 | 163 | 0 | 0 | 0 | 111.1 | N244 V245 R252 T394 I398 | N244-I248 VanDerWaalsContact O-CG1 3.27Å; N244-I248 WeakPolarHBondContact O-CG1 3.43Å; N244-I248 PolarHBondContact O-N 3.02Å; V245-I248 PolarHBondContact O-N 3Å; I248-R252 HydrophobicContact CG2-CG 4.46Å; I248-R252 WeakPolarHBondContact O-CB 3.25Å; I248-R252 VanDerWaalsContact O-CG 3.29Å; I248-R252 WeakPolarHBondContact O-CG 3.31Å; I248-R252 PolarHBondContact O-N 3.48Å; I248-T394 HydrophobicContact CG1-CG2 4.06Å; I248-I398 HydrophobicContact CD1-CD1 3.96Å; I248-I398 HydrophobicContact CD1-CG1 4.12Å; I248-I398 HydrophobicContact CG1-CD1 4.48Å |
| 249 | Q | 95 | Very high | 93.3 | Very high | 82 Ų | 82 | 62.7 Ų | 62.7 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 173.5 | -73.8 | 174.2 | -4.2 | 0 | 0 | 111.2 | V245 R246 L247 V251 R252 N253 | V245-Q249 WeakPolarHBondContact O-CG 3.47Å; V245-Q249 PolarHBondContact O-N 3.45Å; R246-Q249 VanDerWaalsContact NH1-OE1 3.15Å; R246-Q249 PolarHBondContact O-N 3.03Å; L247-Q249 VanDerWaalsContact C-N 3.34Å; L247-Q249 PolarHBondContact O-N 3.37Å; Q249-V251 PolarHBondContact O-N 3.47Å; Q249-R252 PolarHBondContact O-N 3.02Å; Q249-N253 WeakPolarHBondContact O-CB 3.24Å; Q249-N253 PolarHBondContact O-N 3.34Å; Q249-N253 PolarHBondContact O-OD1 2.9Å |
| 250 | T | 93.2 | Very high | 93.2 | Very high | 48 Ų | 48 | 65.8 Ų | 65.8 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 179.7 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | V168 R246 L247 N253 S254 | V168-T250 HydrophobicContact CG1-CG2 4.05Å; R246-T250 PolarHBondContact O-N 2.9Å; R246-T250 PolarHBondContact O-OG1 3.02Å; L247-T250 PolarHBondContact O-N 3.41Å; T250-N253 PolarHBondContact O-N 3.07Å; T250-S254 PolarHBondContact O-N 2.97Å; T250-S254 PolarHBondContact O-OG 3.31Å |
| 251 | V | 90.5 | Very high | 93.1 | Very high | 26 Ų | 26 | 74.2 Ų | 74.2 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.3 | -34.8 | 178.1 | 173.3 | 0 | 0 | 0 | 0 | 112 | V168 L247 Q249 S254 L255 | V168-V251 HydrophobicContact CG1-CG2 4.34Å; L247-V251 HydrophobicContact CD2-CG2 4Å; L247-V251 WeakPolarHBondContact O-CG2 3.35Å; L247-V251 PolarHBondContact O-N 2.93Å; Q249-V251 PolarHBondContact O-N 3.47Å; V251-S254 PolarHBondContact O-OG 3.45Å; V251-L255 VanDerWaalsContact O-CB 3.28Å; V251-L255 WeakPolarHBondContact O-CB 3.13Å; V251-L255 PolarHBondContact O-N 3.47Å; V251-L255 VanDerWaalsContact O-N 3.08Å |
| 252 | R | 93.3 | Very high | 93 | Very high | 165 Ų | 165 | 74.3 Ų | 74.3 | 62% | 0.623 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 172.5 | -76.6 | 176 | 177.1 | -178.3 | -0.5 | 111.5 | I248 Q249 L255 Q256 | I248-R252 HydrophobicContact CG2-CG 4.46Å; I248-R252 WeakPolarHBondContact O-CB 3.25Å; I248-R252 VanDerWaalsContact O-CG 3.29Å; I248-R252 WeakPolarHBondContact O-CG 3.31Å; I248-R252 PolarHBondContact O-N 3.48Å; Q249-R252 PolarHBondContact O-N 3.02Å; R252-L255 PolarHBondContact O-N 2.86Å; R252-Q256 WeakPolarHBondContact O-CG 3.31Å; R252-Q256 PolarHBondContact O-N 3.28Å |
| 253 | N | 94.1 | Very high | 92.9 | Very high | 91 Ų | 91 | 76.2 Ų | 76.2 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 179.2 | -67 | -4.6 | 0 | 0 | 0 | 111.7 | Q249 T250 Q256 L257 | Q249-N253 WeakPolarHBondContact O-CB 3.24Å; Q249-N253 PolarHBondContact O-N 3.34Å; Q249-N253 PolarHBondContact O-OD1 2.9Å; T250-N253 PolarHBondContact O-N 3.07Å; N253-Q256 PolarHBondContact O-N 3.29Å; N253-L257 WeakPolarHBondContact O-CG 3.32Å; N253-L257 PolarHBondContact O-N 3.3Å; N253-L257 VanDerWaalsContact O-N 3.1Å |
| 254 | S | 91.2 | Very high | 92.8 | Very high | 39 Ų | 39 | 82.1 Ų | 82.1 | 27% | 0.273 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.9 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | T250 V251 Q256 L257 I258 | T250-S254 PolarHBondContact O-N 2.97Å; T250-S254 PolarHBondContact O-OG 3.31Å; V251-S254 PolarHBondContact O-OG 3.45Å; S254-Q256 PolarHBondContact O-N 3.27Å; S254-L257 PolarHBondContact O-N 3.08Å; S254-I258 VanDerWaalsContact O-CG1 3.31Å; S254-I258 WeakPolarHBondContact O-CG1 3.43Å; S254-I258 PolarHBondContact O-N 3.46Å |
| 255 | L | 90.4 | Very high | 92.8 | Very high | 74 Ų | 74 | 85.4 Ų | 85.4 | 39% | 0.387 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.3 | -178.2 | 60.8 | 0 | 0 | 0 | 112.4 | V251 R252 I258 N259 | V251-L255 VanDerWaalsContact O-CB 3.28Å; V251-L255 WeakPolarHBondContact O-CB 3.13Å; V251-L255 PolarHBondContact O-N 3.47Å; V251-L255 VanDerWaalsContact O-N 3.08Å; R252-L255 PolarHBondContact O-N 2.86Å; L255-I258 PolarHBondContact O-N 3.25Å; L255-N259 WeakPolarHBondContact O-CB 3.27Å; L255-N259 PolarHBondContact O-N 3.06Å; L255-N259 PolarHBondContact O-ND2 3.05Å |
| 256 | Q | 94.8 | Very high | 92.6 | Very high | 116 Ų | 116 | 85.8 Ų | 85.8 | 54% | 0.542 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 175.1 | -76.5 | 176.7 | -3.5 | 0 | 0 | 111.9 | R252 N253 S254 I258 N259 Q260 | R252-Q256 WeakPolarHBondContact O-CG 3.31Å; R252-Q256 PolarHBondContact O-N 3.28Å; N253-Q256 PolarHBondContact O-N 3.29Å; S254-Q256 PolarHBondContact O-N 3.27Å; Q256-I258 PolarHBondContact O-N 3.15Å; Q256-N259 PolarHBondContact O-N 3.25Å; Q256-Q260 WeakPolarHBondContact O-CG 3.33Å; Q256-Q260 PolarHBondContact O-N 2.87Å |
| 257 | L | 93.8 | Very high | 92.6 | Very high | 98 Ų | 98 | 88.1 Ų | 88.1 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 177.6 | -69.9 | 172.1 | 0 | 0 | 0 | 112.4 | N253 S254 Q260 R261 | N253-L257 WeakPolarHBondContact O-CG 3.32Å; N253-L257 PolarHBondContact O-N 3.3Å; N253-L257 VanDerWaalsContact O-N 3.1Å; S254-L257 PolarHBondContact O-N 3.08Å; L257-Q260 PolarHBondContact O-N 2.91Å; L257-R261 WeakPolarHBondContact O-CG 3.04Å; L257-R261 PolarHBondContact O-N 2.93Å; L257-R261 VanDerWaalsContact O-N 3.1Å |
| 258 | I | 90.8 | Very high | 92.5 | Very high | 37 Ų | 37 | 93 Ų | 93 | 19% | 0.19 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 174.6 | -66.4 | 163.2 | 0 | 0 | 0 | 110.3 | S254 L255 Q256 Q260 R261 C262 L383 Q387 | S254-I258 VanDerWaalsContact O-CG1 3.31Å; S254-I258 WeakPolarHBondContact O-CG1 3.43Å; S254-I258 PolarHBondContact O-N 3.46Å; L255-I258 PolarHBondContact O-N 3.25Å; Q256-I258 PolarHBondContact O-N 3.15Å; I258-Q260 VanDerWaalsContact C-N 3.28Å; I258-Q260 PolarHBondContact O-N 3.23Å; I258-R261 PolarHBondContact O-N 2.9Å; I258-R261 VanDerWaalsContact O-N 3.09Å; I258-C262 PolarHBondContact O-N 3.19Å; I258-C262 PolarHBondContact O-SG 3.12Å; I258-C262 VanDerWaalsContact O-SG 3.37Å; I258-L383 HydrophobicContact CD1-CD1 4.44Å; I258-L383 HydrophobicContact CG2-CD1 4.21Å; I258-L383 HydrophobicContact CG2-CD2 3.8Å; I258-L383 HydrophobicContact CG2-CG 4.26Å; I258-Q387 VanDerWaalsContact CG2-NE2 3.3Å |
| 259 | N | 92.7 | Very high | 92.4 | Very high | 74 Ų | 74 | 94 Ų | 94 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.4 | -35 | 179 | -70.4 | -15.5 | 0 | 0 | 0 | 112.5 | L255 Q256 K263 | L255-N259 WeakPolarHBondContact O-CB 3.27Å; L255-N259 PolarHBondContact O-N 3.06Å; L255-N259 PolarHBondContact O-ND2 3.05Å; Q256-N259 PolarHBondContact O-N 3.25Å; N259-K263 WeakPolarHBondContact O-CB 3.12Å; N259-K263 WeakPolarHBondContact O-CG 3.08Å; N259-K263 PolarHBondContact O-N 2.99Å |
| 260 | Q | 95.1 | Very high | 92.2 | Very high | 124 Ų | 124 | 95.1 Ų | 95.1 | 58% | 0.579 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 172.7 | -75 | 174.2 | -3.9 | 0 | 0 | 112.1 | Q256 L257 I258 K263 K264 | Q256-Q260 WeakPolarHBondContact O-CG 3.33Å; Q256-Q260 PolarHBondContact O-N 2.87Å; L257-Q260 PolarHBondContact O-N 2.91Å; I258-Q260 VanDerWaalsContact C-N 3.28Å; I258-Q260 PolarHBondContact O-N 3.23Å; Q260-K263 PolarHBondContact O-N 3.43Å; Q260-K264 PolarHBondContact O-N 3.4Å |
| 261 | R | 92.1 | Very high | 92.1 | Very high | 184 Ų | 184 | 99 Ų | 99 | 69% | 0.694 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.3 | -46.8 | 175.8 | -70.5 | 177.2 | -173 | -175.8 | 2.4 | 111.6 | L257 I258 K263 K264 T265 | L257-R261 WeakPolarHBondContact O-CG 3.04Å; L257-R261 PolarHBondContact O-N 2.93Å; L257-R261 VanDerWaalsContact O-N 3.1Å; I258-R261 PolarHBondContact O-N 2.9Å; I258-R261 VanDerWaalsContact O-N 3.09Å; R261-K263 VanDerWaalsContact C-N 3.35Å; R261-K263 PolarHBondContact O-N 3.43Å; R261-K264 WeakPolarHBondContact O-CB 3.5Å; R261-K264 PolarHBondContact O-N 3.36Å; R261-K264 VanDerWaalsContact O-N 3.08Å; R261-T265 PolarHBondContact O-N 3.49Å; R261-T265 PolarHBondContact O-OG1 3.47Å |
| 262 | C | 90.1 | Very high | 92 | Very high | 51 Ų | 51 | 101.2 Ų | 101.2 | 35% | 0.345 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 176.2 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | I258 K264 T265 T266 | I258-C262 PolarHBondContact O-N 3.19Å; I258-C262 PolarHBondContact O-SG 3.12Å; I258-C262 VanDerWaalsContact O-SG 3.37Å; C262-K264 VanDerWaalsContact C-N 3.27Å; C262-K264 PolarHBondContact O-N 3.09Å; C262-T265 PolarHBondContact O-N 2.81Å; C262-T265 PolarHBondContact O-OG1 2.88Å; C262-T265 VanDerWaalsContact O-OG1 3.09Å; C262-T266 PolarHBondContact O-N 3.16Å; C262-T266 VanDerWaalsContact O-N 3.1Å; C262-T266 PolarHBondContact O-OG1 2.81Å; C262-T266 VanDerWaalsContact O-OG1 3.08Å |
| 263 | K | 93.9 | Very high | 91.7 | Very high | 157 Ų | 157 | 97.2 Ų | 97.2 | 68% | 0.683 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -31.4 | 174.7 | -76.5 | -179.4 | 178.6 | -171 | 0 | 113 | N259 Q260 R261 K267 | N259-K263 WeakPolarHBondContact O-CB 3.12Å; N259-K263 WeakPolarHBondContact O-CG 3.08Å; N259-K263 PolarHBondContact O-N 2.99Å; Q260-K263 PolarHBondContact O-N 3.43Å; R261-K263 VanDerWaalsContact C-N 3.35Å; R261-K263 PolarHBondContact O-N 3.43Å; K263-K267 WeakPolarHBondContact O-CG 3.33Å; K263-K267 PolarHBondContact O-N 3.5Å |
| 264 | K | 94.1 | Very high | 91.1 | Very high | 131 Ų | 131 | 96.5 Ų | 96.5 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.7 | -48.6 | 176.4 | -173.9 | 175 | 170.4 | 177.8 | 0 | 111.3 | Q260 R261 C262 T266 K267 E268 | Q260-K264 PolarHBondContact O-N 3.4Å; R261-K264 WeakPolarHBondContact O-CB 3.5Å; R261-K264 PolarHBondContact O-N 3.36Å; R261-K264 VanDerWaalsContact O-N 3.08Å; C262-K264 VanDerWaalsContact C-N 3.27Å; C262-K264 PolarHBondContact O-N 3.09Å; K264-T266 VanDerWaalsContact C-N 3.34Å; K264-T266 PolarHBondContact O-N 2.95Å; K264-K267 PolarHBondContact O-N 3.3Å; K264-K267 VanDerWaalsContact O-N 3.11Å; K264-E268 WeakPolarHBondContact CE-OE1 3.31Å; K264-E268 IonicContact NZ-OE1 3.7Å; K264-E268 PolarHBondContact O-N 3.32Å |
| 265 | T | 90 | Very high | 90.2 | Very high | 73 Ų | 73 | 99.1 Ų | 99.1 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 179.9 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | R261 C262 K267 E268 S269 | R261-T265 PolarHBondContact O-N 3.49Å; R261-T265 PolarHBondContact O-OG1 3.47Å; C262-T265 PolarHBondContact O-N 2.81Å; C262-T265 PolarHBondContact O-OG1 2.88Å; C262-T265 VanDerWaalsContact O-OG1 3.09Å; T265-K267 VanDerWaalsContact C-N 3.33Å; T265-K267 PolarHBondContact O-N 3.26Å; T265-E268 PolarHBondContact O-N 3.33Å; T265-S269 PolarHBondContact O-N 3.28Å; T265-S269 PolarHBondContact O-OG 3.31Å |
| 266 | T | 91 | Very high | 89.1 | Confident | 79 Ų | 79 | 101.4 Ų | 101.4 | 49% | 0.485 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 174.2 | -56.7 | 0 | 0 | 0 | 0 | 113 | C262 K264 S269 I270 | C262-T266 PolarHBondContact O-N 3.16Å; C262-T266 VanDerWaalsContact O-N 3.1Å; C262-T266 PolarHBondContact O-OG1 2.81Å; C262-T266 VanDerWaalsContact O-OG1 3.08Å; K264-T266 VanDerWaalsContact C-N 3.34Å; K264-T266 PolarHBondContact O-N 2.95Å; T266-S269 WeakPolarHBondContact CA-OG 3.42Å; T266-S269 PolarHBondContact O-OG 2.94Å; T266-I270 HydrophobicContact CG2-CD1 4.06Å; T266-I270 WeakPolarHBondContact O-CD1 3.31Å; T266-I270 VanDerWaalsContact O-CG1 3.23Å; T266-I270 WeakPolarHBondContact O-CG1 3.5Å; T266-I270 PolarHBondContact O-N 2.92Å; T266-I270 VanDerWaalsContact O-N 3.16Å |
| 267 | K | 94 | Very high | 87.7 | Confident | 158 Ų | 158 | 104.5 Ų | 104.5 | 69% | 0.687 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.3 | -41.3 | 174.7 | -75.4 | -178 | 175.1 | -165.9 | 0 | 111.7 | K263 K264 T265 I270 L271 | K263-K267 WeakPolarHBondContact O-CG 3.33Å; K263-K267 PolarHBondContact O-N 3.5Å; K264-K267 PolarHBondContact O-N 3.3Å; K264-K267 VanDerWaalsContact O-N 3.11Å; T265-K267 VanDerWaalsContact C-N 3.33Å; T265-K267 PolarHBondContact O-N 3.26Å; K267-I270 PolarHBondContact O-N 3.24Å; K267-L271 WeakPolarHBondContact O-CB 3.2Å; K267-L271 PolarHBondContact O-N 2.98Å |
| 268 | E | 91.5 | Very high | 86 | Confident | 104 Ų | 104 | 105.3 Ų | 105.3 | 49% | 0.486 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66 | -40.3 | 177.8 | -71.1 | 171.7 | 165.4 | 0 | 0 | 111.6 | K264 T265 L271 S272 | K264-E268 WeakPolarHBondContact CE-OE1 3.31Å; K264-E268 IonicContact NZ-OE1 3.7Å; K264-E268 PolarHBondContact O-N 3.32Å; T265-E268 PolarHBondContact O-N 3.33Å; E268-L271 PolarHBondContact O-N 2.69Å; E268-S272 PolarHBondContact O-N 3.36Å; E268-S272 PolarHBondContact O-OG 3.05Å |
| 269 | S | 88.7 | Confident | 84.7 | Confident | 64 Ų | 64 | 109.5 Ų | 109.5 | 45% | 0.448 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.4 | -43.5 | 175.3 | 64.2 | 0 | 0 | 0 | 0 | 112.3 | T265 T266 L271 S272 S273 | T265-S269 PolarHBondContact O-N 3.28Å; T265-S269 PolarHBondContact O-OG 3.31Å; T266-S269 WeakPolarHBondContact CA-OG 3.42Å; T266-S269 PolarHBondContact O-OG 2.94Å; S269-L271 PolarHBondContact O-N 3.41Å; S269-S272 PolarHBondContact O-N 2.92Å; S269-S272 PolarHBondContact O-OG 2.95Å; S269-S273 PolarHBondContact O-N 2.77Å |
| 270 | I | 91.9 | Very high | 83.3 | Confident | 105 Ų | 105 | 111.9 Ų | 111.9 | 54% | 0.538 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.1 | -48.4 | 175.6 | -69.1 | 165.4 | 0 | 0 | 0 | 110.1 | T266 K267 S272 S273 S274 | T266-I270 HydrophobicContact CG2-CD1 4.06Å; T266-I270 WeakPolarHBondContact O-CD1 3.31Å; T266-I270 VanDerWaalsContact O-CG1 3.23Å; T266-I270 WeakPolarHBondContact O-CG1 3.5Å; T266-I270 PolarHBondContact O-N 2.92Å; T266-I270 VanDerWaalsContact O-N 3.16Å; K267-I270 PolarHBondContact O-N 3.24Å; I270-S272 VanDerWaalsContact C-N 3.28Å; I270-S272 PolarHBondContact O-N 3.03Å; I270-S273 PolarHBondContact O-N 3.32Å; I270-S273 PolarHBondContact O-OG 3.35Å; I270-S274 PolarHBondContact O-N 2.82Å; I270-S274 VanDerWaalsContact O-N 3.13Å; I270-S274 PolarHBondContact O-OG 2.78Å |
| 271 | L | 91.1 | Very high | 81.8 | Confident | 129 Ų | 129 | 109 Ų | 109 | 68% | 0.675 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61 | -36.9 | -179.4 | -150.1 | 76.5 | 0 | 0 | 0 | 112.5 | K267 E268 S269 S274 | K267-L271 WeakPolarHBondContact O-CB 3.2Å; K267-L271 PolarHBondContact O-N 2.98Å; E268-L271 PolarHBondContact O-N 2.69Å; S269-L271 PolarHBondContact O-N 3.41Å; L271-S274 PolarHBondContact O-OG 2.85Å |
| 272 | S | 87.5 | Confident | 80.2 | Confident | 73 Ų | 73 | 106.2 Ų | 106.2 | 51% | 0.51 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.9 | -28.2 | 174.9 | 70.3 | 0 | 0 | 0 | 0 | 114 | E268 S269 I270 S275 | E268-S272 PolarHBondContact O-N 3.36Å; E268-S272 PolarHBondContact O-OG 3.05Å; S269-S272 PolarHBondContact O-N 2.92Å; S269-S272 PolarHBondContact O-OG 2.95Å; I270-S272 VanDerWaalsContact C-N 3.28Å; I270-S272 PolarHBondContact O-N 3.03Å; S272-S275 PolarHBondContact O-OG 3.22Å; S272-S275 VanDerWaalsContact O-OG 3.09Å |
| 273 | S | 87 | Confident | 78.7 | Confident | 80 Ų | 80 | 111.5 Ų | 111.5 | 56% | 0.559 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.2 | -25.7 | 176.5 | 67.1 | 0 | 0 | 0 | 0 | 113.4 | S269 I270 T276 | S269-S273 PolarHBondContact O-N 2.77Å; I270-S273 PolarHBondContact O-N 3.32Å; I270-S273 PolarHBondContact O-OG 3.35Å; S273-T276 PolarHBondContact O-OG1 2.7Å |
| 274 | S | 82.4 | Confident | 77 | Confident | 77 Ų | 77 | 115.4 Ų | 115.4 | 54% | 0.538 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -81.1 | -15 | 177.2 | 47.3 | 0 | 0 | 0 | 0 | 114.6 | I270 L271 T276 | I270-S274 PolarHBondContact O-N 2.82Å; I270-S274 VanDerWaalsContact O-N 3.13Å; I270-S274 PolarHBondContact O-OG 2.78Å; L271-S274 PolarHBondContact O-OG 2.85Å; S274-T276 PolarHBondContact O-N 2.87Å |
| 275 | S | 72 | Confident | 75.1 | Confident | 93 Ų | 93 | 119.4 Ų | 119.4 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 4.9 | -174 | 55 | 0 | 0 | 0 | 0 | 115.4 | S272 | S272-S275 PolarHBondContact O-OG 3.22Å; S272-S275 VanDerWaalsContact O-OG 3.09Å |
| 276 | T | 65.9 | Low | 73.6 | Confident | 122 Ų | 122 | 124.9 Ų | 124.9 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -3.4 | -179.5 | 47.6 | 0 | 0 | 0 | 0 | 114.3 | S273 S274 S278 | S273-T276 PolarHBondContact O-OG1 2.7Å; S274-T276 PolarHBondContact O-N 2.87Å; T276-S278 PolarHBondContact O-N 2.83Å |
| 277 | Q | 66.4 | Low | 72 | Confident | 182 Ų | 182 | 127.9 Ų | 127.9 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -84.7 | 101.9 | 170.7 | -156.8 | 161 | 16.9 | 0 | 0 | 109.3 | D279 | Q277-D279 PolarHBondContact O-N 3.24Š|
| 278 | S | 58.6 | Low | 70.1 | Confident | 114 Ų | 114 | 125 Ų | 125 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | -62.4 | 115.8 | -175.4 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | T276 | T276-S278 PolarHBondContact O-N 2.83Š| ||
| 279 | D | 63.1 | Low | 67.9 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | trans | -133.2 | 107 | 164 | -158.9 | -9.4 | 0 | 0 | 0 | 108.9 | Q277 G281 | Q277-D279 PolarHBondContact O-N 3.24Å; D279-G281 PolarHBondContact O-N 2.83Å | ||
| 280 | P | 63.4 | Low | 66.2 | Low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 5.1 | -164.5 | 27.4 | -34.4 | 0 | 0 | 0 | 115.4 | ||
| 281 | G | 62.9 | Low | 63.9 | Low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -16 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | D279 I283 | D279-G281 PolarHBondContact O-N 2.83Å; G281-I283 PolarHBondContact O-N 3.34Å |
| 282 | I | 57.8 | Low | 61.7 | Low | 124 Ų | 124 | 133 Ų | 133 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | -106 | 41.5 | -161 | -37.4 | -175.9 | 0 | 0 | 0 | 114.1 | ||||
| 283 | I | 60.3 | Low | 59.9 | Low | 163 Ų | 163 | 138 Ų | 138 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -85.4 | -12.4 | 175 | -71.2 | 178.7 | 0 | 0 | 0 | 112.9 | G281 | G281-I283 PolarHBondContact O-N 3.34Š|
| 284 | R | 57.2 | Low | 58.1 | Low | 238 Ų | 238 | 138.9 Ų | 138.9 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -103 | 10.9 | -169.5 | -133.9 | 175.9 | -169.8 | 171 | 3.7 | 117.5 | ||
| 285 | R | 55.4 | Low | 56.2 | Low | 216 Ų | 216 | 140.7 Ų | 140.7 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -125.7 | 0.3 | -178 | -91.8 | -173.6 | -175.3 | 167 | 4.3 | 117.4 | T287 | R285-T287 VanDerWaalsContact C-N 3.31Å; R285-T287 PolarHBondContact O-N 2.88Å |
| 286 | M | 57.3 | Low | 54.9 | Low | 187 Ų | 187 | 142 Ų | 142 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 14.1 | -174.5 | -100.1 | -174 | 177 | 0 | 0 | 116.3 | ||
| 287 | T | 58.1 | Low | 53.9 | Low | 142 Ų | 142 | 143.7 Ų | 143.7 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -3.1 | -176.5 | 35.6 | 0 | 0 | 0 | 0 | 116.1 | R285 | R285-T287 VanDerWaalsContact C-N 3.31Å; R285-T287 PolarHBondContact O-N 2.88Å |
| 288 | S | 53.7 | Low | 52.9 | Low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -113.9 | 5.1 | -168.3 | 75.5 | 0 | 0 | 0 | 0 | 117.7 | ||
| 289 | C | 45.6 | Very low | 52.2 | Low | 111 Ų | 111 | 139.5 Ų | 139.5 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | trans | -127 | 64.1 | -175.1 | -75.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 290 | Y | 51.7 | Low | 51.3 | Low | 242 Ų | 242 | 141.3 Ų | 141.3 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | trans | -115.9 | 94.4 | 157.4 | -95.9 | -85 | 0 | 0 | 0 | 110.5 | ||||
| 291 | P | 44.9 | Very low | 50.6 | Low | 107 Ų | 107 | 140.1 Ų | 140.1 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | -112.2 | 154.5 | 160.2 | 34.9 | -26.2 | 0 | 0 | 0 | 112.5 | ||||
| 292 | C | 43.6 | Very low | 49.8 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 69.4 | 56.1 | 164.8 | -63.4 | 0 | 0 | 0 | 0 | 119 | ||
| 293 | L | 49.9 | Very low | 49.3 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -127.2 | 11 | 154.5 | -144.4 | 81.1 | 0 | 0 | 0 | 115.1 | ||
| 294 | S | 50.1 | Low | 48.6 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | -130.7 | -1 | -174 | 63.6 | 0 | 0 | 0 | 0 | 117.5 | C296 | S294-C296 PolarHBondContact O-N 3.24Š| ||
| 295 | C | 42.4 | Very low | 48 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 23.5 | -170.9 | -68.2 | 0 | 0 | 0 | 0 | 116.9 | ||
| 296 | C | 43.9 | Very low | 47.6 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | 34.6 | -177.9 | -66.6 | 0 | 0 | 0 | 0 | 114.4 | S294 | S294-C296 PolarHBondContact O-N 3.24Š|
| 297 | I | 46.8 | Very low | 46.7 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -140.8 | 121.3 | 162.2 | -75.4 | 101.8 | 0 | 0 | 0 | 111.1 | ||
| 298 | S | 44.8 | Very low | 46.1 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 78.3 | 146.1 | 154.8 | -156.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 299 | S | 43.3 | Very low | 45.6 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 73.9 | 101.5 | 159.3 | -49.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 300 | N | 44.4 | Very low | 45.3 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | 76 | 136.4 | 59.7 | -161.1 | 19.9 | 0 | 0 | 0 | 113.9 | |||||
| 301 | S | 49.7 | Very low | 44.8 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | 95.8 | 93 | 178.6 | -171.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 302 | N | 46 | Very low | 44.7 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | 50.5 | 138 | 129.5 | -61.9 | -12.2 | 0 | 0 | 0 | 124.9 | |||||
| 303 | K | 46.2 | Very low | 44.5 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | 98.8 | 97.7 | 172.1 | -62 | 177.2 | 176.9 | -178.9 | 0 | 113.8 | ||||
| 304 | I | 46.7 | Very low | 43.9 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | 59.8 | 100.3 | 70.1 | -49.9 | 175.7 | 0 | 0 | 0 | 113.5 | |||||
| 305 | Y | 43.8 | Very low | 43.2 | Very low | 217 Ų | 217 | 141 Ų | 141 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | 177.3 | 148.3 | 114.8 | -95.1 | -66.4 | 0 | 0 | 0 | 112.8 | |||||
| 306 | S | 46.3 | Very low | 43.1 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | 30.1 | 114.8 | 162.3 | 56.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 307 | F | 38.9 | Very low | 43 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 90% | 0.899 | 80% | 0.799 | S | S | * | * | cis | 69.6 | 88.2 | 39 | -133.6 | -79.5 | 0 | 0 | 0 | 115.4 | ||||
| 308 | H | 45.9 | Very low | 42.7 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | -144.7 | 103.8 | 155 | -131.4 | -81.5 | 0 | 0 | 0 | 112 | ||||
| 309 | Q | 44 | Very low | 42.4 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 71% | 0.71 | 81% | 0.806 | S | S | * | * | trans | 47.5 | 105.1 | 135.4 | -147.3 | 163.2 | 18.8 | 0 | 0 | 120.3 | ||||
| 310 | C | 38.7 | Very low | 42.2 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | trans | -146.6 | 90.4 | 153.5 | -166 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 311 | S | 41.6 | Very low | 42 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -79.7 | 156.3 | 156.5 | 52.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 312 | S | 41.5 | Very low | 41.6 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | cis | -151 | 157.4 | 7 | 44.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 313 | S | 40.4 | Very low | 41.5 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | -163.5 | 154.9 | 54.7 | -72 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 314 | C | 37.8 | Very low | 41.2 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -76.7 | 132.4 | -172.3 | -66.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 315 | L | 34 | Very low | 41.1 | Very low | 176 Ų | 176 | 148 Ų | 148 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | -154.8 | 91.2 | 127.6 | -143.9 | 80.7 | 0 | 0 | 0 | 111 | |||||
| 316 | K | 41 | Very low | 41 | Very low | 210 Ų | 210 | 143.3 Ų | 143.3 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -114 | 104.4 | 173 | -85.9 | -177.3 | 174.7 | 176.2 | 0 | 109.9 | ||||
| 317 | V | 41.8 | Very low | 41.3 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -148 | 145.2 | 153.9 | -157 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 318 | F | 39.9 | Very low | 41.7 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 64.7 | 63.4 | 176.1 | -68.6 | -71.2 | 0 | 0 | 0 | 118.2 | ||
| 319 | C | 39.7 | Very low | 41.9 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -147.6 | 81.1 | 150.9 | -156.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 320 | C | 39.1 | Very low | 42.5 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | trans | 170.2 | 95.8 | 153 | -99.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 321 | D | 38.4 | Very low | 43.1 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -121.1 | 89.5 | 150.2 | -91.8 | -47 | 0 | 0 | 0 | 107.1 | F323 | D321-F323 VanDerWaalsContact C-N 3.3Å; D321-F323 PolarHBondContact O-N 2.93Å | ||
| 322 | C | 41.2 | Very low | 43.6 | Very low | 109 Ų | 109 | 140 Ų | 140 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -69.9 | 91.3 | 170.3 | -68.2 | 0 | 0 | 0 | 0 | 107.8 | N324 | C322-N324 PolarHBondContact O-N 3.38Š| ||
| 323 | F | 43.9 | Very low | 44.1 | Very low | 190 Ų | 190 | 139.1 Ų | 139.1 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | trans | -63.4 | 102.2 | 173.4 | -135.4 | -86.1 | 0 | 0 | 0 | 108.5 | D321 L325 | D321-F323 VanDerWaalsContact C-N 3.3Å; D321-F323 PolarHBondContact O-N 2.93Å; F323-L325 PolarHBondContact O-N 3.15Å | ||
| 324 | N | 39.8 | Very low | 44.9 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -79.4 | 64.1 | -167.2 | -151.8 | -7.2 | 0 | 0 | 0 | 110.2 | C322 S326 | C322-N324 PolarHBondContact O-N 3.38Å; N324-S326 VanDerWaalsContact C-N 3.34Å; N324-S326 PolarHBondContact O-N 3.08Å | ||
| 325 | L | 46.6 | Very low | 45.8 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | trans | -79.6 | 86.8 | 178.8 | -148.4 | 80.9 | 0 | 0 | 0 | 109.1 | F323 T327 | F323-L325 PolarHBondContact O-N 3.15Å; L325-T327 HydrophobicContact CD2-CG2 4.33Å; L325-T327 PolarHBondContact O-N 3.48Å | ||
| 326 | S | 40.8 | Very low | 47.1 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | -64.2 | 79.2 | 174.2 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | N324 | N324-S326 VanDerWaalsContact C-N 3.34Å; N324-S326 PolarHBondContact O-N 3.08Å | ||
| 327 | T | 51.8 | Low | 48.5 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | trans | -101.6 | 125.5 | 163.3 | 53.4 | 0 | 0 | 0 | 0 | 108.7 | L325 | L325-T327 HydrophobicContact CD2-CG2 4.33Å; L325-T327 PolarHBondContact O-N 3.48Å | ||
| 328 | K | 47.1 | Very low | 49.9 | Very low | 187 Ų | 187 | 132.3 Ų | 132.3 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | trans | -39.6 | 145.8 | -176.8 | -61.4 | 175.2 | 179.4 | -179.2 | 0 | 113.1 | V330 | K328-V330 PolarHBondContact O-N 3.23Š| ||
| 329 | P | 52.1 | Low | 51.5 | Low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | trans | -59.6 | 107.8 | 176.8 | 26.1 | -34.3 | 0 | 0 | 0 | 110 | ||||
| 330 | V | 54.8 | Low | 53.3 | Low | 123 Ų | 123 | 129.1 Ų | 129.1 | 75% | 0.745 | 70% | 0.696 | S | S | * | * | trans | -72.6 | 126.9 | 157.6 | 177.5 | 0 | 0 | 0 | 0 | 105.7 | K328 N332 | K328-V330 PolarHBondContact O-N 3.23Å; V330-N332 PolarHBondContact O-N 2.92Å | ||
| 331 | N | 51.4 | Low | 55.1 | Low | 131 Ų | 131 | 127.9 Ų | 127.9 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | trans | -60.6 | 93 | -175.2 | -71.7 | -17.2 | 0 | 0 | 0 | 111.4 | C333 | N331-C333 PolarHBondContact O-N 3.34Š| ||
| 332 | N | 53.7 | Low | 56.9 | Low | 128 Ų | 128 | 127.5 Ų | 127.5 | 68% | 0.684 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -2.1 | 177.2 | -87.2 | -21 | 0 | 0 | 0 | 113.8 | V330 Q334 L335 Q336 | V330-N332 PolarHBondContact O-N 2.92Å; N332-Q334 PolarHBondContact O-N 2.95Å; N332-Q334 VanDerWaalsContact O-N 3.1Å; N332-L335 PolarHBondContact O-N 3.26Å; N332-Q336 PolarHBondContact O-N 3.39Å |
| 333 | C | 51.4 | Low | 58.6 | Low | 89 Ų | 89 | 128.6 Ų | 128.6 | 60% | 0.601 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -47.7 | -35.7 | 170.1 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | N331 Q336 H337 | N331-C333 PolarHBondContact O-N 3.34Å; C333-Q336 PolarHBondContact O-N 3.38Å; C333-H337 WeakPolarHBondContact O-CB 3.37Å; C333-H337 PolarHBondContact O-N 3.42Å |
| 334 | Q | 57.5 | Low | 60.3 | Low | 155 Ų | 155 | 125 Ų | 125 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.8 | -34 | -171.9 | -149.6 | 171 | 16.8 | 0 | 0 | 114.4 | N332 N338 | N332-Q334 PolarHBondContact O-N 2.95Å; N332-Q334 VanDerWaalsContact O-N 3.1Å; Q334-N338 PolarHBondContact O-N 3.34Å |
| 335 | L | 56.5 | Low | 62.2 | Low | 133 Ų | 133 | 124 Ų | 124 | 70% | 0.696 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.8 | -37.9 | 175.2 | -165.6 | 72.3 | 0 | 0 | 0 | 111.1 | N332 N338 Q339 | N332-L335 PolarHBondContact O-N 3.26Å; L335-N338 PolarHBondContact O-N 2.91Å; L335-Q339 PolarHBondContact O-N 3.01Å |
| 336 | Q | 61.8 | Low | 63.7 | Low | 128 Ų | 128 | 122.7 Ų | 122.7 | 60% | 0.598 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67 | -39.6 | 175.9 | -162.2 | 168.8 | 2.6 | 0 | 0 | 111.2 | N332 C333 N338 Q339 Q340 | N332-Q336 PolarHBondContact O-N 3.39Å; C333-Q336 PolarHBondContact O-N 3.38Å; Q336-N338 PolarHBondContact O-N 3.1Å; Q336-Q339 PolarHBondContact O-N 2.96Å; Q336-Q340 VanDerWaalsContact O-CB 3.26Å; Q336-Q340 WeakPolarHBondContact O-CB 3.42Å; Q336-Q340 PolarHBondContact O-N 3.4Å |
| 337 | H | 70.1 | Confident | 65.5 | Low | 97 Ų | 97 | 121.7 Ų | 121.7 | 45% | 0.449 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.6 | -38.3 | 175.5 | -168.4 | -85.9 | 0 | 0 | 0 | 112.3 | C333 Q340 Q341 | C333-H337 WeakPolarHBondContact O-CB 3.37Å; C333-H337 PolarHBondContact O-N 3.42Å; H337-Q340 PolarHBondContact O-N 3.43Å; H337-Q341 PolarHBondContact CE1-NE2 3.25Å; H337-Q341 PolarHBondContact CE1-OE1 3.34Å; H337-Q341 PolarHBondContact ND1-OE1 3.1Å; H337-Q341 WeakPolarHBondContact O-CB 3.4Å; H337-Q341 WeakPolarHBondContact O-CG 3.49Å; H337-Q341 PolarHBondContact O-N 3.4Å |
| 338 | N | 70.6 | Confident | 66.9 | Low | 94 Ų | 94 | 122.1 Ų | 122.1 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.9 | -38.8 | 174.3 | -79.9 | -9.1 | 0 | 0 | 0 | 112.6 | Q334 L335 Q336 Q342 | Q334-N338 PolarHBondContact O-N 3.34Å; L335-N338 PolarHBondContact O-N 2.91Å; Q336-N338 PolarHBondContact O-N 3.1Å; N338-Q342 PolarHBondContact O-N 2.89Å |
| 339 | Q | 73.5 | Confident | 68.3 | Low | 138 Ų | 138 | 116.8 Ų | 116.8 | 65% | 0.645 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -67.2 | -40.4 | 171.7 | -91.7 | -173 | -31.8 | 0 | 0 | 112.1 | L335 Q336 Q342 Q343 | L335-Q339 PolarHBondContact O-N 3.01Å; Q336-Q339 PolarHBondContact O-N 2.96Å; Q339-Q342 PolarHBondContact O-N 3.49Å; Q339-Q343 PolarHBondContact O-N 2.76Å |
| 340 | Q | 76.7 | Confident | 69.5 | Low | 111 Ų | 111 | 117.8 Ų | 117.8 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.3 | -36.3 | -177.4 | -159.4 | 166.3 | 12.4 | 0 | 0 | 112.1 | Q336 H337 Q343 Q344 | Q336-Q340 VanDerWaalsContact O-CB 3.26Å; Q336-Q340 WeakPolarHBondContact O-CB 3.42Å; Q336-Q340 PolarHBondContact O-N 3.4Å; H337-Q340 PolarHBondContact O-N 3.43Å; Q340-Q343 PolarHBondContact O-N 2.85Å; Q340-Q344 PolarHBondContact O-N 3.17Å |
| 341 | Q | 77.3 | Confident | 70.3 | Confident | 85 Ų | 85 | 121.6 Ų | 121.6 | 40% | 0.397 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.5 | -41.4 | 171.3 | -80 | -173.2 | -52 | 0 | 0 | 112.3 | H337 Q343 Q344 Q345 | H337-Q341 PolarHBondContact CE1-NE2 3.25Å; H337-Q341 PolarHBondContact CE1-OE1 3.34Å; H337-Q341 PolarHBondContact ND1-OE1 3.1Å; H337-Q341 WeakPolarHBondContact O-CB 3.4Å; H337-Q341 WeakPolarHBondContact O-CG 3.49Å; H337-Q341 PolarHBondContact O-N 3.4Å; Q341-Q343 VanDerWaalsContact C-N 3.29Å; Q341-Q343 PolarHBondContact O-N 3.39Å; Q341-Q344 PolarHBondContact O-N 2.8Å; Q341-Q345 WeakPolarHBondContact O-CG 3.25Å; Q341-Q345 PolarHBondContact O-N 2.86Å |
| 342 | Q | 76.1 | Confident | 71.3 | Confident | 144 Ų | 144 | 120.5 Ų | 120.5 | 67% | 0.673 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.9 | -38.4 | 172.4 | -89.6 | -171.3 | -25.2 | 0 | 0 | 112 | N338 Q339 L346 | N338-Q342 PolarHBondContact O-N 2.89Å; Q339-Q342 PolarHBondContact O-N 3.49Å; Q342-L346 PolarHBondContact O-N 3.5Å; Q342-L346 VanDerWaalsContact O-N 3.14Å |
| 343 | Q | 77.5 | Confident | 72.1 | Confident | 133 Ų | 133 | 121.4 Ų | 121.4 | 62% | 0.621 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.8 | -34.6 | 175.7 | -105 | 174.4 | -17.4 | 0 | 0 | 113.6 | Q339 Q340 Q341 N347 | Q339-Q343 PolarHBondContact O-N 2.76Å; Q340-Q343 PolarHBondContact O-N 2.85Å; Q341-Q343 VanDerWaalsContact C-N 3.29Å; Q341-Q343 PolarHBondContact O-N 3.39Å; Q343-N347 WeakPolarHBondContact O-CB 3.46Å; Q343-N347 PolarHBondContact O-N 3.18Å; Q343-N347 VanDerWaalsContact O-N 3.11Å |
| 344 | Q | 79.3 | Confident | 73 | Confident | 115 Ų | 115 | 125.5 Ų | 125.5 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.4 | -48 | 172.6 | -85.6 | 178.8 | -50 | 0 | 0 | 111.6 | Q340 Q341 L346 N347 E348 | Q340-Q344 PolarHBondContact O-N 3.17Å; Q341-Q344 PolarHBondContact O-N 2.8Å; Q344-L346 VanDerWaalsContact C-N 3.29Å; Q344-L346 PolarHBondContact O-N 3.09Å; Q344-N347 PolarHBondContact O-N 2.78Å; Q344-N347 VanDerWaalsContact O-N 3.07Å; Q344-E348 PolarHBondContact O-N 2.79Å |
| 345 | Q | 78.8 | Confident | 73.5 | Confident | 131 Ų | 131 | 126 Ų | 126 | 61% | 0.612 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.7 | -38.5 | 177.3 | -73 | -179 | -13.3 | 0 | 0 | 112.4 | Q341 S349 | Q341-Q345 WeakPolarHBondContact O-CG 3.25Å; Q341-Q345 PolarHBondContact O-N 2.86Å; Q345-S349 WeakPolarHBondContact O-CB 3.4Å; Q345-S349 PolarHBondContact O-N 2.87Å |
| 346 | L | 78.6 | Confident | 73.7 | Confident | 104 Ų | 104 | 125.3 Ų | 125.3 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.8 | -38.2 | 175.3 | -157.1 | 86.2 | 0 | 0 | 0 | 112.3 | Q342 Q344 K350 | Q342-L346 PolarHBondContact O-N 3.5Å; Q342-L346 VanDerWaalsContact O-N 3.14Å; Q344-L346 VanDerWaalsContact C-N 3.29Å; Q344-L346 PolarHBondContact O-N 3.09Å; L346-K350 WeakPolarHBondContact O-CG 3.32Å; L346-K350 PolarHBondContact O-N 3.27Å; L346-K350 VanDerWaalsContact O-N 3.13Å |
| 347 | N | 78.9 | Confident | 73.7 | Confident | 99 Ų | 99 | 126.4 Ų | 126.4 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74 | -35 | 178 | -80.9 | -17.8 | 0 | 0 | 0 | 112.9 | Q343 Q344 R351 | Q343-N347 WeakPolarHBondContact O-CB 3.46Å; Q343-N347 PolarHBondContact O-N 3.18Å; Q343-N347 VanDerWaalsContact O-N 3.11Å; Q344-N347 PolarHBondContact O-N 2.78Å; Q344-N347 VanDerWaalsContact O-N 3.07Å; N347-R351 WeakPolarHBondContact O-CG 3.18Å; N347-R351 PolarHBondContact O-N 3.13Å |
| 348 | E | 81.7 | Confident | 73.3 | Confident | 119 Ų | 119 | 129.5 Ų | 129.5 | 56% | 0.556 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68 | -44.4 | 173.5 | -73.1 | -176.2 | 157.7 | 0 | 0 | 111.5 | Q344 K350 R351 I352 | Q344-E348 PolarHBondContact O-N 2.79Å; E348-K350 VanDerWaalsContact C-N 3.32Å; E348-K350 PolarHBondContact O-N 3.5Å; E348-R351 WeakPolarHBondContact O-CB 3.34Å; E348-R351 PolarHBondContact O-N 2.88Å; E348-I352 WeakPolarHBondContact O-CG1 3.49Å; E348-I352 PolarHBondContact O-N 3.31Å |
| 349 | S | 76.6 | Confident | 72.8 | Confident | 76 Ų | 76 | 131.5 Ų | 131.5 | 53% | 0.531 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -57.3 | -43.8 | 173.8 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | Q345 R351 I352 F353 | Q345-S349 WeakPolarHBondContact O-CB 3.4Å; Q345-S349 PolarHBondContact O-N 2.87Å; S349-R351 PolarHBondContact O-N 3.44Å; S349-I352 PolarHBondContact O-N 2.96Å; S349-F353 PolarHBondContact O-N 2.82Å |
| 350 | K | 76.5 | Confident | 71.9 | Confident | 141 Ų | 141 | 134 Ų | 134 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.8 | -34.6 | 172.9 | -76.5 | -176.2 | 177 | -174.2 | 0 | 113.8 | L346 E348 K354 | L346-K350 WeakPolarHBondContact O-CG 3.32Å; L346-K350 PolarHBondContact O-N 3.27Å; L346-K350 VanDerWaalsContact O-N 3.13Å; E348-K350 VanDerWaalsContact C-N 3.32Å; E348-K350 PolarHBondContact O-N 3.5Å; K350-K354 WeakPolarHBondContact O-CB 3.48Å; K350-K354 PolarHBondContact O-N 2.68Å |
| 351 | R | 71.6 | Confident | 70.8 | Confident | 203 Ų | 203 | 137.2 Ų | 137.2 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.8 | -38.3 | 175 | -81 | -177.3 | 175 | -172.1 | -1.3 | 112.4 | N347 E348 S349 K355 | N347-R351 WeakPolarHBondContact O-CG 3.18Å; N347-R351 PolarHBondContact O-N 3.13Å; E348-R351 WeakPolarHBondContact O-CB 3.34Å; E348-R351 PolarHBondContact O-N 2.88Å; S349-R351 PolarHBondContact O-N 3.44Å; R351-K355 PolarHBondContact O-N 3.48Å |
| 352 | I | 72.8 | Confident | 70.1 | Confident | 108 Ų | 108 | 139.6 Ų | 139.6 | 55% | 0.554 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.2 | -47.3 | 176.9 | -66.2 | 165.3 | 0 | 0 | 0 | 109.8 | E348 S349 K354 K355 N356 | E348-I352 WeakPolarHBondContact O-CG1 3.49Å; E348-I352 PolarHBondContact O-N 3.31Å; S349-I352 PolarHBondContact O-N 2.96Å; I352-K354 VanDerWaalsContact C-N 3.32Å; I352-K354 PolarHBondContact O-N 3.4Å; I352-K355 PolarHBondContact O-N 3.18Å; I352-N356 PolarHBondContact O-N 3.21Å |
| 353 | F | 69.5 | Low | 69 | Low | 147 Ų | 147 | 139.3 Ų | 139.3 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -58 | -44.3 | 178.6 | -150.7 | -86.2 | 0 | 0 | 0 | 111.9 | S349 K355 N356 | S349-F353 PolarHBondContact O-N 2.82Å; F353-K355 PolarHBondContact O-N 3.16Å; F353-N356 PolarHBondContact O-N 2.95Å |
| 354 | K | 70.3 | Confident | 67.7 | Low | 175 Ų | 175 | 138 Ų | 138 | 76% | 0.761 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -73.9 | -6.9 | 179.3 | -150.6 | 176.6 | -175.1 | -179.1 | 0 | 114.7 | K350 I352 | K350-K354 WeakPolarHBondContact O-CB 3.48Å; K350-K354 PolarHBondContact O-N 2.68Å; I352-K354 VanDerWaalsContact C-N 3.32Å; I352-K354 PolarHBondContact O-N 3.4Å |
| 355 | K | 69.5 | Low | 66.6 | Low | 164 Ų | 164 | 137.5 Ų | 137.5 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -95.9 | -20.5 | 175.6 | -157.6 | 177.2 | -178.3 | -173 | 0 | 112.7 | R351 I352 F353 | R351-K355 PolarHBondContact O-N 3.48Å; I352-K355 PolarHBondContact O-N 3.18Å; F353-K355 PolarHBondContact O-N 3.16Å |
| 356 | N | 61.1 | Low | 65.4 | Low | 119 Ų | 119 | 137.5 Ų | 137.5 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -90.9 | -12.6 | -176.8 | -70.9 | 9.7 | 0 | 0 | 0 | 114 | I352 F353 L358 | I352-N356 PolarHBondContact O-N 3.21Å; F353-N356 PolarHBondContact O-N 2.95Å; N356-L358 VanDerWaalsContact C-N 3.27Å; N356-L358 PolarHBondContact O-N 3.25Å |
| 357 | E | 60.9 | Low | 64.6 | Low | 151 Ų | 151 | 138.8 Ų | 138.8 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -4.3 | 176.3 | -74.7 | -174.7 | 133.7 | 0 | 0 | 114.7 | ||
| 358 | L | 61.2 | Low | 63.6 | Low | 162 Ų | 162 | 140.5 Ų | 140.5 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 2.2 | -176.6 | -146.5 | 77.6 | 0 | 0 | 0 | 114.6 | N356 | N356-L358 VanDerWaalsContact C-N 3.27Å; N356-L358 PolarHBondContact O-N 3.25Å |
| 359 | I | 60.9 | Low | 62.4 | Low | 137 Ų | 137 | 139.8 Ų | 139.8 | 70% | 0.703 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -143.2 | 82.6 | -176 | -48.3 | 177.4 | 0 | 0 | 0 | 110.7 | ||
| 360 | Q | 54.1 | Low | 61.7 | Low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | 171.8 | 105.2 | 139.5 | -98 | 168.8 | -13.3 | 0 | 0 | 110.9 | ||||
| 361 | M | 54.4 | Low | 60.9 | Low | 179 Ų | 179 | 141.3 Ų | 141.3 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | -91.2 | 160.5 | 142.6 | -79 | -170.3 | 168.8 | 0 | 0 | 108.3 | ||||
| 362 | N | 61.5 | Low | 60 | Low | 135 Ų | 135 | 136.1 Ų | 136.1 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 82.2 | 109.9 | 176.2 | -61.4 | 15.4 | 0 | 0 | 0 | 117.4 | ||
| 363 | D | 53.1 | Low | 59.1 | Low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 74.1 | 106.2 | 133 | -53.8 | -29.7 | 0 | 0 | 0 | 122 | ||||
| 364 | S | 50.4 | Low | 58.9 | Low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 67.4 | 89.9 | 134.9 | 65.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 365 | S | 55.6 | Low | 58.8 | Low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 170.5 | 142.2 | 119.1 | -78.5 | 0 | 0 | 0 | 0 | 111.8 | V367 | S365-V367 PolarHBondContact O-N 3.49Š| |||
| 366 | P | 54 | Low | 58.8 | Low | 131 Ų | 131 | 131.1 Ų | 131.1 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -81.6 | 87.7 | -177.4 | 33.2 | -34.2 | 0 | 0 | 0 | 111.8 | ||||
| 367 | V | 61.2 | Low | 59.4 | Low | 130 Ų | 130 | 133.2 Ų | 133.2 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | trans | -82.7 | 119.7 | 170.7 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | S365 S369 | S365-V367 PolarHBondContact O-N 3.49Å; V367-S369 PolarHBondContact O-N 3.24Å; V367-S369 VanDerWaalsContact O-N 3.14Å | ||
| 368 | T | 58.5 | Low | 59.8 | Low | 135 Ų | 135 | 131.3 Ų | 131.3 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -61.8 | 108.3 | 177.6 | 30 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 369 | S | 57.7 | Low | 60.5 | Low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -66 | 137.8 | 175.8 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | V367 T371 | V367-S369 PolarHBondContact O-N 3.24Å; V367-S369 VanDerWaalsContact O-N 3.14Å; S369-T371 PolarHBondContact O-N 3.38Å | ||
| 370 | P | 61.7 | Low | 61.5 | Low | 121 Ų | 121 | 124.3 Ų | 124.3 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -67.7 | 128.2 | -179 | 26.9 | -33.5 | 0 | 0 | 0 | 110 | S372 | P370-S372 VanDerWaalsContact C-N 3.33Å; P370-S372 PolarHBondContact O-N 2.84Å | ||
| 371 | T | 58.5 | Low | 63.1 | Low | 128 Ų | 128 | 118.3 Ų | 118.3 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -56.6 | 92 | 175.1 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | S369 L373 | S369-T371 PolarHBondContact O-N 3.38Å; T371-L373 PolarHBondContact O-N 3.11Å | ||
| 372 | S | 53.8 | Low | 64.6 | Low | 93 Ų | 93 | 115.7 Ų | 115.7 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | trans | -63.8 | 112.1 | 169.7 | 57.5 | 0 | 0 | 0 | 0 | 107.6 | P370 T374 | P370-S372 VanDerWaalsContact C-N 3.33Å; P370-S372 PolarHBondContact O-N 2.84Å; S372-T374 PolarHBondContact O-N 2.75Å | ||
| 373 | L | 54.1 | Low | 65.7 | Low | 168 Ų | 168 | 112.4 Ų | 112.4 | 88% | 0.88 | 71% | 0.709 | S | S | * | * | trans | -65.5 | 77.6 | 173.6 | -77.9 | 160.8 | 0 | 0 | 0 | 108.8 | T371 A375 | T371-L373 PolarHBondContact O-N 3.11Å; L373-A375 PolarHBondContact O-N 3.24Å | ||
| 374 | T | 64.3 | Low | 67.3 | Low | 117 Ų | 117 | 107.2 Ų | 107.2 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | -54.8 | 112.3 | 162 | 42.8 | 0 | 0 | 0 | 0 | 106.3 | S372 S376 | S372-T374 PolarHBondContact O-N 2.75Å; T374-S376 VanDerWaalsContact C-N 3.33Å; T374-S376 PolarHBondContact O-N 3.31Å | ||
| 375 | A | 68.6 | Low | 69.1 | Low | 100 Ų | 100 | 110.5 Ų | 110.5 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | trans | -59.2 | 102 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107 | L373 E377 | L373-A375 PolarHBondContact O-N 3.24Å; A375-E377 PolarHBondContact O-N 2.95Å | ||
| 376 | S | 69.8 | Low | 70.5 | Confident | 105 Ų | 105 | 108.8 Ų | 108.8 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | trans | -59.1 | 126 | -165.8 | 45.6 | 0 | 0 | 0 | 0 | 109.2 | T374 | T374-S376 VanDerWaalsContact C-N 3.33Å; T374-S376 PolarHBondContact O-N 3.31Å | ||
| 377 | E | 73.6 | Confident | 72 | Confident | 163 Ų | 163 | 105.1 Ų | 105.1 | 76% | 0.762 | 64% | 0.641 | S | S | * | * | trans | -52.8 | 132.4 | -179 | -73.6 | -165.8 | 120.3 | 0 | 0 | 108.9 | A375 T379 | A375-E377 PolarHBondContact O-N 2.95Å; E377-T379 PolarHBondContact O-N 3.29Å | ||
| 378 | P | 69.7 | Low | 73.3 | Confident | 110 Ų | 110 | 108.2 Ų | 108.2 | 71% | 0.714 | 64% | 0.638 | S | S | * | * | trans | -59.6 | 103.8 | -173.6 | 23 | -33.3 | 0 | 0 | 0 | 109.1 | G380 | P378-G380 PolarHBondContact O-N 3.33Š| ||
| 379 | T | 75 | Confident | 74.7 | Confident | 96 Ų | 96 | 107.7 Ų | 107.7 | 59% | 0.589 | 63% | 0.627 | S | S | * | * | trans | -54.3 | 129.3 | -168.1 | -35.9 | 0 | 0 | 0 | 0 | 108.8 | E377 A381 Q382 | E377-T379 PolarHBondContact O-N 3.29Å; T379-A381 PolarHBondContact O-N 3.22Å; T379-Q382 PolarHBondContact O-N 3.36Å | ||
| 380 | G | 82.2 | Confident | 76 | Confident | 56 Ų | 56 | 106.8 Ų | 106.8 | 58% | 0.577 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -52.5 | -22.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P378 Q382 L383 G384 | P378-G380 PolarHBondContact O-N 3.33Å; G380-Q382 VanDerWaalsContact C-N 3.31Å; G380-Q382 PolarHBondContact O-N 3.28Å; G380-L383 PolarHBondContact O-N 3.03Å; G380-G384 PolarHBondContact O-N 3.39Å; G380-G384 VanDerWaalsContact O-N 3.08Å |
| 381 | A | 86.5 | Confident | 77.2 | Confident | 64 Ų | 64 | 107.9 Ų | 107.9 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -55.6 | -33.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115 | T379 R385 | T379-A381 PolarHBondContact O-N 3.22Å; A381-R385 WeakPolarHBondContact O-CG 3.45Å; A381-R385 PolarHBondContact O-N 3.5Å |
| 382 | Q | 86 | Confident | 78.8 | Confident | 124 Ų | 124 | 104.9 Ų | 104.9 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.5 | -45.8 | 176.7 | -68.1 | -162.1 | 7.6 | 0 | 0 | 111.5 | T379 G380 G384 R385 T386 | T379-Q382 PolarHBondContact O-N 3.36Å; G380-Q382 VanDerWaalsContact C-N 3.31Å; G380-Q382 PolarHBondContact O-N 3.28Å; Q382-G384 VanDerWaalsContact C-N 3.32Å; Q382-G384 PolarHBondContact O-N 3.42Å; Q382-R385 WeakPolarHBondContact O-CB 3.31Å; Q382-R385 PolarHBondContact O-N 2.9Å; Q382-T386 PolarHBondContact O-N 2.95Å |
| 383 | L | 84.6 | Confident | 80.3 | Confident | 66 Ų | 66 | 104.1 Ų | 104.1 | 35% | 0.346 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.4 | -40 | 178.6 | -175.2 | 62.2 | 0 | 0 | 0 | 111.8 | I258 G380 R385 T386 Q387 | I258-L383 HydrophobicContact CD1-CD1 4.44Å; I258-L383 HydrophobicContact CG2-CD1 4.21Å; I258-L383 HydrophobicContact CG2-CD2 3.8Å; I258-L383 HydrophobicContact CG2-CG 4.26Å; G380-L383 PolarHBondContact O-N 3.03Å; L383-R385 VanDerWaalsContact C-N 3.26Å; L383-R385 PolarHBondContact O-N 3.32Å; L383-T386 PolarHBondContact O-N 3Å; L383-T386 PolarHBondContact O-OG1 3.36Å; L383-Q387 WeakPolarHBondContact O-CG 3.41Å; L383-Q387 PolarHBondContact O-N 2.68Å; L383-Q387 VanDerWaalsContact O-N 3.17Å |
| 384 | G | 87.3 | Confident | 81.9 | Confident | 29 Ų | 29 | 97 Ų | 97 | 30% | 0.299 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -25.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G380 Q382 R388 | G380-G384 PolarHBondContact O-N 3.39Å; G380-G384 VanDerWaalsContact O-N 3.08Å; Q382-G384 VanDerWaalsContact C-N 3.32Å; Q382-G384 PolarHBondContact O-N 3.42Å; G384-R388 WeakPolarHBondContact O-CG 3.35Å; G384-R388 PolarHBondContact O-N 2.72Å |
| 385 | R | 88.9 | Confident | 83.2 | Confident | 176 Ų | 176 | 94.5 Ų | 94.5 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75.3 | -47.3 | 174.4 | -71.7 | 173.2 | -176 | 167.3 | 2.8 | 111.3 | A381 Q382 L383 Q387 R388 E389 | A381-R385 WeakPolarHBondContact O-CG 3.45Å; A381-R385 PolarHBondContact O-N 3.5Å; Q382-R385 WeakPolarHBondContact O-CB 3.31Å; Q382-R385 PolarHBondContact O-N 2.9Å; L383-R385 VanDerWaalsContact C-N 3.26Å; L383-R385 PolarHBondContact O-N 3.32Å; R385-Q387 PolarHBondContact O-N 3Å; R385-R388 PolarHBondContact O-N 3.47Å; R385-R388 VanDerWaalsContact O-N 3.15Å; R385-E389 PolarHBondContact O-N 2.82Å; R385-E389 VanDerWaalsContact O-N 3.09Å |
| 386 | T | 84.9 | Confident | 84.2 | Confident | 68 Ų | 68 | 90.8 Ų | 90.8 | 42% | 0.417 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 179.8 | 54.8 | 0 | 0 | 0 | 0 | 111.6 | Q382 L383 R388 E389 E390 | Q382-T386 PolarHBondContact O-N 2.95Å; L383-T386 PolarHBondContact O-N 3Å; L383-T386 PolarHBondContact O-OG1 3.36Å; T386-R388 VanDerWaalsContact C-N 3.32Å; T386-R388 PolarHBondContact O-N 3.01Å; T386-E389 PolarHBondContact O-N 2.73Å; T386-E389 VanDerWaalsContact O-N 3.16Å; T386-E390 WeakPolarHBondContact O-CG 3.44Å; T386-E390 PolarHBondContact O-N 3.35Å |
| 387 | Q | 85.3 | Confident | 85 | Confident | 54 Ų | 54 | 86.5 Ų | 86.5 | 25% | 0.252 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.8 | -37.6 | 174.8 | -72.6 | -175.3 | -20.1 | 0 | 0 | 113.6 | I258 L383 R385 K391 | I258-Q387 VanDerWaalsContact CG2-NE2 3.3Å; L383-Q387 WeakPolarHBondContact O-CG 3.41Å; L383-Q387 PolarHBondContact O-N 2.68Å; L383-Q387 VanDerWaalsContact O-N 3.17Å; R385-Q387 PolarHBondContact O-N 3Å; Q387-K391 WeakPolarHBondContact O-CB 3.24Å; Q387-K391 PolarHBondContact O-N 3.43Å |
| 388 | R | 88.7 | Confident | 85.8 | Confident | 195 Ų | 195 | 82 Ų | 82 | 74% | 0.736 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.4 | -39.3 | 176 | -77.6 | 178.6 | -179.4 | -171 | 1.3 | 111.7 | G384 R385 T386 K392 | G384-R388 WeakPolarHBondContact O-CG 3.35Å; G384-R388 PolarHBondContact O-N 2.72Å; R385-R388 PolarHBondContact O-N 3.47Å; R385-R388 VanDerWaalsContact O-N 3.15Å; T386-R388 VanDerWaalsContact C-N 3.32Å; T386-R388 PolarHBondContact O-N 3.01Å; R388-K392 WeakPolarHBondContact O-CG 3.4Å; R388-K392 PolarHBondContact O-N 3.36Å |
| 389 | E | 87.6 | Confident | 86.9 | Confident | 124 Ų | 124 | 78.1 Ų | 78.1 | 58% | 0.579 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.6 | -45.3 | 175.6 | -67.4 | -170.2 | 175.6 | 0 | 0 | 111.7 | R385 T386 K391 K392 I393 | R385-E389 PolarHBondContact O-N 2.82Å; R385-E389 VanDerWaalsContact O-N 3.09Å; T386-E389 PolarHBondContact O-N 2.73Å; T386-E389 VanDerWaalsContact O-N 3.16Å; E389-K391 PolarHBondContact O-N 2.9Å; E389-K392 PolarHBondContact O-N 3.39Å; E389-I393 VanDerWaalsContact O-CG1 3.31Å; E389-I393 WeakPolarHBondContact O-CG1 3.5Å; E389-I393 PolarHBondContact O-N 2.89Å |
| 390 | E | 84.3 | Confident | 87.5 | Confident | 85 Ų | 85 | 75.4 Ų | 75.4 | 40% | 0.397 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 176.3 | -71.2 | 177.7 | 177.7 | 0 | 0 | 112.6 | T386 I393 T394 | T386-E390 WeakPolarHBondContact O-CG 3.44Å; T386-E390 PolarHBondContact O-N 3.35Å; E390-I393 PolarHBondContact O-N 3.21Å; E390-T394 PolarHBondContact O-N 2.92Å; E390-T394 PolarHBondContact O-OG1 2.91Å |
| 391 | K | 87.8 | Confident | 87.8 | Confident | 144 Ų | 144 | 73.9 Ų | 73.9 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.2 | -44.2 | 174.9 | -174.8 | 174.5 | 178.6 | 179.2 | 0 | 111.5 | Q387 E389 I393 T394 I395 | Q387-K391 WeakPolarHBondContact O-CB 3.24Å; Q387-K391 PolarHBondContact O-N 3.43Å; E389-K391 PolarHBondContact O-N 2.9Å; K391-I393 PolarHBondContact O-N 3.01Å; K391-T394 PolarHBondContact O-N 3.42Å; K391-I395 HydrophobicContact CG-CD1 3.88Å; K391-I395 HydrophobicContact CG-CG1 4.46Å; K391-I395 VanDerWaalsContact O-CG1 3.29Å; K391-I395 WeakPolarHBondContact O-CG1 3.31Å; K391-I395 PolarHBondContact O-N 3.36Å |
| 392 | K | 91 | Very high | 88.1 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 175.2 | -78 | -175.2 | 178.9 | -164.3 | 0 | 111.5 | R388 E389 T394 I395 T396 F487 D489 | R388-K392 WeakPolarHBondContact O-CG 3.4Å; R388-K392 PolarHBondContact O-N 3.36Å; E389-K392 PolarHBondContact O-N 3.39Å; K392-T394 VanDerWaalsContact C-N 3.35Å; K392-T394 PolarHBondContact O-N 2.91Å; K392-I395 PolarHBondContact O-N 3.37Å; K392-T396 PolarHBondContact O-N 3.11Å; K392-T396 PolarHBondContact O-OG1 3.3Å; K392-F487 HydrophobicContact CB-CD1 4.3Å; K392-F487 HydrophobicContact CG-CD1 4.49Å; K392-D489 IonicContact NZ-OD1 2.72Å; K392-D489 PolarHBondContact NZ-OD1 2.97Å; K392-D489 IonicContact NZ-OD2 2.69Å; K392-D489 PolarHBondContact NZ-OD2 3.06Å |
| 393 | I | 86 | Confident | 88.5 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 40% | 0.395 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 178.9 | -67.5 | 162.9 | 0 | 0 | 0 | 111 | E389 E390 K391 T396 L397 | E389-I393 VanDerWaalsContact O-CG1 3.31Å; E389-I393 WeakPolarHBondContact O-CG1 3.5Å; E389-I393 PolarHBondContact O-N 2.89Å; E390-I393 PolarHBondContact O-N 3.21Å; K391-I393 PolarHBondContact O-N 3.01Å; I393-T396 WeakPolarHBondContact O-CB 3.23Å; I393-T396 PolarHBondContact O-N 3.44Å; I393-L397 PolarHBondContact O-N 3.4Å |
| 394 | T | 87.6 | Confident | 88.8 | Confident | 18 Ų | 18 | 66 Ų | 66 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | -179.8 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | L247 I248 E390 K391 K392 L397 I398 | L247-T394 HydrophobicContact CD2-CG2 4Å; I248-T394 HydrophobicContact CG1-CG2 4.06Å; E390-T394 PolarHBondContact O-N 2.92Å; E390-T394 PolarHBondContact O-OG1 2.91Å; K391-T394 PolarHBondContact O-N 3.42Å; K392-T394 VanDerWaalsContact C-N 3.35Å; K392-T394 PolarHBondContact O-N 2.91Å; T394-L397 WeakPolarHBondContact O-CB 3.15Å; T394-L397 PolarHBondContact O-N 2.75Å; T394-I398 HydrophobicContact CG2-CD1 4.3Å; T394-I398 WeakPolarHBondContact O-CG1 3.42Å; T394-I398 PolarHBondContact O-N 2.91Å; T394-I398 VanDerWaalsContact O-N 3.14Å |
| 395 | I | 90.6 | Very high | 89 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 33% | 0.328 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 176.2 | -60.3 | 164.6 | 0 | 0 | 0 | 110.5 | K391 K392 L397 I398 C399 F487 | K391-I395 HydrophobicContact CG-CD1 3.88Å; K391-I395 HydrophobicContact CG-CG1 4.46Å; K391-I395 VanDerWaalsContact O-CG1 3.29Å; K391-I395 WeakPolarHBondContact O-CG1 3.31Å; K391-I395 PolarHBondContact O-N 3.36Å; K392-I395 PolarHBondContact O-N 3.37Å; I395-L397 PolarHBondContact O-N 3.4Å; I395-I398 PolarHBondContact O-N 2.69Å; I395-I398 VanDerWaalsContact O-N 3.12Å; I395-C399 PolarHBondContact O-N 2.95Å; I395-C399 PolarHBondContact O-SG 3.15Å; I395-F487 HydrophobicContact CB-CE1 3.82Å; I395-F487 HydrophobicContact CB-CZ 4.06Å; I395-F487 HydrophobicContact CG2-CE1 3.6Å; I395-F487 HydrophobicContact CG2-CE2 4.46Å; I395-F487 HydrophobicContact CG2-CZ 3.41Å; I395-F487 VanDerWaalsContact CG2-CZ 3.41Å |
| 396 | T | 90.1 | Very high | 89.3 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.1 | -45.4 | 175.5 | -45.9 | 0 | 0 | 0 | 0 | 111.1 | K392 I393 C399 L400 F487 | K392-T396 PolarHBondContact O-N 3.11Å; K392-T396 PolarHBondContact O-OG1 3.3Å; I393-T396 WeakPolarHBondContact O-CB 3.23Å; I393-T396 PolarHBondContact O-N 3.44Å; T396-C399 PolarHBondContact O-N 3.3Å; T396-L400 HydrophobicContact CG2-CD1 4.5Å; T396-L400 WeakPolarHBondContact O-CG 3.44Å; T396-L400 PolarHBondContact O-N 3.05Å; T396-F487 HydrophobicContact CG2-CB 4.36Å; T396-F487 HydrophobicContact CG2-CD2 3.89Å; T396-F487 HydrophobicContact CG2-CG 4.34Å; T396-F487 WeakPolarHBondContact OG1-CB 3.48Å; T396-F487 WeakPolarHBondContact OG1-CD2 3.39Å; T396-F487 WeakPolarHBondContact OG1-CG 3.46Å |
| 397 | L | 86.7 | Confident | 89.8 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 179.5 | -170.9 | 72.8 | 0 | 0 | 0 | 111.7 | A161 N244 L247 I393 T394 I395 L400 I401 | A161-L397 HydrophobicContact CB-CD1 4.33Å; N244-L397 HydrophobicContact CB-CD2 4.34Å; N244-L397 WeakPolarHBondContact OD1-CD1 3.39Å; N244-L397 WeakPolarHBondContact OD1-CD2 3.4Å; N244-L397 WeakPolarHBondContact OD1-CG 3.46Å; L247-L397 HydrophobicContact CB-CD2 4.41Å; L247-L397 HydrophobicContact CD1-CD2 3.67Å; L247-L397 HydrophobicContact CD2-CD2 3.81Å; L247-L397 HydrophobicContact CG-CD2 4.17Å; I393-L397 PolarHBondContact O-N 3.4Å; T394-L397 WeakPolarHBondContact O-CB 3.15Å; T394-L397 PolarHBondContact O-N 2.75Å; I395-L397 PolarHBondContact O-N 3.4Å; L397-L400 PolarHBondContact O-N 3.38Å; L397-I401 WeakPolarHBondContact O-CG1 3.49Å; L397-I401 PolarHBondContact O-N 3.48Å |
| 398 | I | 90.5 | Very high | 90.1 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 35% | 0.349 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.4 | -66.4 | 164.5 | 0 | 0 | 0 | 110.8 | I248 T394 I395 L400 I401 V402 | I248-I398 HydrophobicContact CD1-CD1 3.96Å; I248-I398 HydrophobicContact CD1-CG1 4.12Å; I248-I398 HydrophobicContact CG1-CD1 4.48Å; T394-I398 HydrophobicContact CG2-CD1 4.3Å; T394-I398 WeakPolarHBondContact O-CG1 3.42Å; T394-I398 PolarHBondContact O-N 2.91Å; T394-I398 VanDerWaalsContact O-N 3.14Å; I395-I398 PolarHBondContact O-N 2.69Å; I395-I398 VanDerWaalsContact O-N 3.12Å; I398-L400 VanDerWaalsContact C-N 3.3Å; I398-L400 PolarHBondContact O-N 3.47Å; I398-I401 WeakPolarHBondContact O-CB 3.43Å; I398-I401 PolarHBondContact O-N 2.92Å; I398-I401 VanDerWaalsContact O-N 3.14Å; I398-V402 HydrophobicContact CG2-CG2 4.43Å; I398-V402 WeakPolarHBondContact O-CG2 3.2Å; I398-V402 PolarHBondContact O-N 3.27Å |
| 399 | C | 92.3 | Very high | 90.3 | Very high | 28 Ų | 28 | 52.2 Ų | 52.2 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.1 | -42.1 | 176.1 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | I395 T396 I401 V402 T403 F483 | I395-C399 PolarHBondContact O-N 2.95Å; I395-C399 PolarHBondContact O-SG 3.15Å; T396-C399 PolarHBondContact O-N 3.3Å; C399-I401 PolarHBondContact O-N 2.88Å; C399-V402 PolarHBondContact O-N 2.86Å; C399-T403 WeakPolarHBondContact O-CB 3.31Å; C399-T403 PolarHBondContact O-N 3.23Å; C399-T403 PolarHBondContact O-OG1 3.38Å; C399-F483 HydrophobicContact CB-CD1 3.98Å; C399-F483 HydrophobicContact CB-CD2 3.83Å; C399-F483 HydrophobicContact CB-CE1 3.84Å; C399-F483 HydrophobicContact CB-CE2 3.68Å; C399-F483 HydrophobicContact CB-CG 3.99Å; C399-F483 HydrophobicContact CB-CZ 3.71Å |
| 400 | L | 88.4 | Confident | 90.6 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 20% | 0.204 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 176.3 | -70.1 | 171.6 | 0 | 0 | 0 | 113 | T396 L397 I398 F404 | T396-L400 HydrophobicContact CG2-CD1 4.5Å; T396-L400 WeakPolarHBondContact O-CG 3.44Å; T396-L400 PolarHBondContact O-N 3.05Å; L397-L400 PolarHBondContact O-N 3.38Å; I398-L400 VanDerWaalsContact C-N 3.3Å; I398-L400 PolarHBondContact O-N 3.47Å; L400-F404 VanDerWaalsContact O-CB 3.25Å; L400-F404 WeakPolarHBondContact O-CB 3.4Å; L400-F404 PolarHBondContact O-N 3.5Å |
| 401 | I | 89.5 | Confident | 91 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 174.6 | -53.6 | 159.8 | 0 | 0 | 0 | 110.7 | L240 N244 L397 I398 C399 F404 F405 | L240-I401 HydrophobicContact CD2-CG1 4.29Å; L240-I401 HydrophobicContact CD2-CG2 4.47Å; L240-I401 HydrophobicContact CG-CG1 4.25Å; N244-I401 HydrophobicContact CB-CD1 3.61Å; N244-I401 WeakPolarHBondContact ND2-CD1 3.48Å; N244-I401 WeakPolarHBondContact ND2-CG1 3.36Å; L397-I401 WeakPolarHBondContact O-CG1 3.49Å; L397-I401 PolarHBondContact O-N 3.48Å; I398-I401 WeakPolarHBondContact O-CB 3.43Å; I398-I401 PolarHBondContact O-N 2.92Å; I398-I401 VanDerWaalsContact O-N 3.14Å; C399-I401 PolarHBondContact O-N 2.88Å; I401-F404 WeakPolarHBondContact O-CB 3.15Å; I401-F404 PolarHBondContact O-N 3.08Å; I401-F405 HydrophobicContact CG2-CD2 4.08Å; I401-F405 HydrophobicContact CG2-CE2 4.3Å; I401-F405 PolarHBondContact O-N 2.99Å |
| 402 | V | 93 | Very high | 91.2 | Very high | 71 Ų | 71 | 38.6 Ų | 38.6 | 43% | 0.43 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.1 | -43.9 | -176.4 | 172.6 | 0 | 0 | 0 | 0 | 110.2 | I398 C399 F405 I406 | I398-V402 HydrophobicContact CG2-CG2 4.43Å; I398-V402 WeakPolarHBondContact O-CG2 3.2Å; I398-V402 PolarHBondContact O-N 3.27Å; C399-V402 PolarHBondContact O-N 2.86Å; V402-F405 WeakPolarHBondContact O-CB 3.49Å; V402-F405 PolarHBondContact O-N 3.39Å; V402-I406 HydrophobicContact CG1-CD1 3.6Å; V402-I406 HydrophobicContact CG1-CG1 4.41Å; V402-I406 WeakPolarHBondContact O-CG1 3.47Å; V402-I406 PolarHBondContact O-N 3.14Å |
| 403 | T | 93.1 | Very high | 91.2 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 173.9 | -74.6 | 0 | 0 | 0 | 0 | 112.5 | C399 F405 I406 C407 K476 L479 F483 | C399-T403 WeakPolarHBondContact O-CB 3.31Å; C399-T403 PolarHBondContact O-N 3.23Å; C399-T403 PolarHBondContact O-OG1 3.38Å; T403-F405 VanDerWaalsContact C-N 3.33Å; T403-F405 PolarHBondContact O-N 2.91Å; T403-I406 PolarHBondContact O-N 3.18Å; T403-C407 WeakPolarHBondContact O-CB 3.47Å; T403-C407 PolarHBondContact O-N 3.15Å; T403-K476 HydrophobicContact CG2-CG 4.16Å; T403-L479 HydrophobicContact CG2-CB 3.87Å; T403-L479 HydrophobicContact CG2-CD1 3.99Å; T403-F483 VanDerWaalsContact OG1-CE2 3.3Å; T403-F483 WeakPolarHBondContact OG1-CE2 3.41Å |
| 404 | F | 90.9 | Very high | 91.5 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 4% | 0.044 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56 | -48.8 | 172.4 | -178.2 | -87.3 | 0 | 0 | 0 | 111.1 | N154 L400 I401 Q408 | N154-F404 HydrophobicContact CB-CE2 4.23Å; N154-F404 HydrophobicContact CB-CZ 4.39Å; N154-F404 VanDerWaalsContact OD1-CE2 3.3Å; N154-F404 WeakPolarHBondContact OD1-CE2 3.38Å; L400-F404 VanDerWaalsContact O-CB 3.25Å; L400-F404 WeakPolarHBondContact O-CB 3.4Å; L400-F404 PolarHBondContact O-N 3.5Å; I401-F404 WeakPolarHBondContact O-CB 3.15Å; I401-F404 PolarHBondContact O-N 3.08Å; F404-Q408 VanDerWaalsContact CE2-OE1 3.32Å; F404-Q408 WeakPolarHBondContact O-CB 3.28Å; F404-Q408 PolarHBondContact O-N 3.16Å |
| 405 | F | 91.5 | Very high | 91.5 | Very high | 97 Ų | 97 | 37 Ų | 37 | 43% | 0.425 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.3 | -55.8 | 176.7 | -95.1 | -59.6 | 0 | 0 | 0 | 113.6 | F237 I401 V402 T403 G409 | F237-F405 HydrophobicContact CD1-CZ 4.48Å; F237-F405 HydrophobicContact CD2-CE1 4.04Å; F237-F405 AromaticContact CD2-CE2 3.95Å; F237-F405 HydrophobicContact CD2-CE2 3.95Å; F237-F405 AromaticContact CD2-CZ 3.65Å; F237-F405 HydrophobicContact CD2-CZ 3.65Å; F237-F405 AromaticContact CE1-CZ 3.92Å; F237-F405 HydrophobicContact CE1-CZ 3.92Å; F237-F405 HydrophobicContact CE2-CD2 4.14Å; F237-F405 AromaticContact CE2-CE1 3.83Å; F237-F405 HydrophobicContact CE2-CE1 3.83Å; F237-F405 AromaticContact CE2-CE2 3.15Å; F237-F405 HydrophobicContact CE2-CE2 3.15Å; F237-F405 AromaticContact CE2-CZ 2.99Å; F237-F405 HydrophobicContact CE2-CZ 2.99Å; F237-F405 HydrophobicContact CG-CZ 4.38Å; F237-F405 HydrophobicContact CZ-CE1 4.11Å; F237-F405 AromaticContact CZ-CE2 3.66Å; F237-F405 HydrophobicContact CZ-CE2 3.66Å; F237-F405 AromaticContact CZ-CZ 3.16Å; F237-F405 HydrophobicContact CZ-CZ 3.16Å; I401-F405 HydrophobicContact CG2-CD2 4.08Å; I401-F405 HydrophobicContact CG2-CE2 4.3Å; I401-F405 PolarHBondContact O-N 2.99Å; V402-F405 WeakPolarHBondContact O-CB 3.49Å; V402-F405 PolarHBondContact O-N 3.39Å; T403-F405 VanDerWaalsContact C-N 3.33Å; T403-F405 PolarHBondContact O-N 2.91Å; F405-G409 WeakPolarHBondContact O-CA 3.39Å; F405-G409 PolarHBondContact O-N 3.02Å |
| 406 | I | 94.9 | Very high | 91.4 | Very high | 110 Ų | 110 | 34.7 Ų | 34.7 | 56% | 0.564 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -66.7 | -41.4 | -171.7 | -67.1 | 172.6 | 0 | 0 | 0 | 110.8 | V402 T403 P410 | V402-I406 HydrophobicContact CG1-CD1 3.6Å; V402-I406 HydrophobicContact CG1-CG1 4.41Å; V402-I406 WeakPolarHBondContact O-CG1 3.47Å; V402-I406 PolarHBondContact O-N 3.14Å; T403-I406 PolarHBondContact O-N 3.18Å; I406-P410 VanDerWaalsContact O-CD 3.28Å; I406-P410 WeakPolarHBondContact O-CD 3.22Å; I406-P410 WeakPolarHBondContact O-CG 3.33Å |
| 407 | C | 95.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.027 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -85 | -34.7 | -174.8 | -67 | 0 | 0 | 0 | 0 | 113.9 | T403 A472 L473 K476 | T403-C407 WeakPolarHBondContact O-CB 3.47Å; T403-C407 PolarHBondContact O-N 3.15Å; C407-A472 WeakPolarHBondContact CB-O 3.31Å; C407-A472 CarbonylContact O-C 3.58Å; C407-A472 PolarHBondContact SG-O 2.91Å; C407-L473 PolarHBondContact O-N 3.35Å; C407-K476 HydrophobicContact CB-CB 3.67Å; C407-K476 HydrophobicContact CB-CG 4.09Å |
| 408 | Q | 92.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -107.7 | -27.3 | -171.9 | -171.4 | 165.8 | -1.9 | 0 | 0 | 113.7 | N154 F232 F404 F411 V412 L473 | N154-Q408 PolarHBondContact ND2-NE2 3.34Å; N154-Q408 VanDerWaalsContact OD1-CD 3.29Å; N154-Q408 PolarHBondContact OD1-NE2 3Å; N154-Q408 PolarHBondContact OD1-OE1 2.99Å; N154-Q408 VanDerWaalsContact OD1-OE1 3.12Å; F232-Q408 VanDerWaalsContact CE1-NE2 3.33Å; F404-Q408 VanDerWaalsContact CE2-OE1 3.32Å; F404-Q408 WeakPolarHBondContact O-CB 3.28Å; F404-Q408 PolarHBondContact O-N 3.16Å; Q408-F411 PolarHBondContact O-N 2.87Å; Q408-V412 HydrophobicContact CG-CG2 4.09Å; Q408-V412 WeakPolarHBondContact O-CG2 3.48Å; Q408-V412 PolarHBondContact O-N 3.42Å; Q408-V412 VanDerWaalsContact O-N 3.1Å; Q408-L473 HydrophobicContact CB-CD2 3.96Å; Q408-L473 HydrophobicContact CG-CD2 3.96Å |
| 409 | G | 92 | Very high | 91.1 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 19% | 0.186 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.7 | -52.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F405 F411 V412 L413 | F405-G409 WeakPolarHBondContact O-CA 3.39Å; F405-G409 PolarHBondContact O-N 3.02Å; G409-F411 PolarHBondContact O-N 3.2Å; G409-V412 PolarHBondContact O-N 3.42Å; G409-L413 WeakPolarHBondContact O-CB 3.23Å; G409-L413 PolarHBondContact O-N 3.42Å |
| 410 | P | 93.7 | Very high | 90.7 | Very high | 47 Ų | 47 | 41.6 Ų | 41.6 | 31% | 0.305 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.6 | -42 | 178.2 | -27.1 | 36.4 | 0 | 0 | 0 | 113.4 | I406 L413 T414 S469 | I406-P410 VanDerWaalsContact O-CD 3.28Å; I406-P410 WeakPolarHBondContact O-CD 3.22Å; I406-P410 WeakPolarHBondContact O-CG 3.33Å; P410-L413 PolarHBondContact O-N 3.03Å; P410-T414 VanDerWaalsContact O-CB 3.32Å; P410-T414 WeakPolarHBondContact O-CB 3.43Å; P410-T414 PolarHBondContact O-N 3.12Å; P410-T414 PolarHBondContact O-OG1 3.24Å; P410-S469 WeakPolarHBondContact CB-OG 3.37Å; P410-S469 PolarHBondContact O-OG 3.13Å |
| 411 | F | 93.9 | Very high | 90.6 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -52.4 | 178.4 | -178.4 | -94.7 | 0 | 0 | 0 | 111.7 | L150 Q408 G409 L413 T414 T415 V470 L473 | L150-F411 HydrophobicContact CD1-CD1 3.99Å; L150-F411 HydrophobicContact CD1-CE1 3.55Å; L150-F411 HydrophobicContact CD1-CZ 4.27Å; Q408-F411 PolarHBondContact O-N 2.87Å; G409-F411 PolarHBondContact O-N 3.2Å; F411-L413 VanDerWaalsContact C-N 3.32Å; F411-L413 PolarHBondContact O-N 3.34Å; F411-T414 PolarHBondContact O-N 2.74Å; F411-T414 VanDerWaalsContact O-N 3.13Å; F411-T415 PolarHBondContact O-N 2.9Å; F411-T415 PolarHBondContact O-OG1 3.44Å; F411-V470 HydrophobicContact CD2-CG2 4.31Å; F411-V470 HydrophobicContact CE2-CG2 4.11Å; F411-L473 HydrophobicContact CB-CD1 3.88Å; F411-L473 HydrophobicContact CB-CD2 4.35Å; F411-L473 HydrophobicContact CB-CG 3.89Å; F411-L473 HydrophobicContact CD1-CD1 3.68Å; F411-L473 HydrophobicContact CD2-CD1 3.45Å; F411-L473 VanDerWaalsContact CD2-CD1 3.45Å; F411-L473 HydrophobicContact CD2-CG 4.22Å; F411-L473 HydrophobicContact CE1-CD1 4.01Å; F411-L473 HydrophobicContact CE2-CD1 3.8Å; F411-L473 HydrophobicContact CG-CD1 3.37Å; F411-L473 HydrophobicContact CG-CG 3.97Å; F411-L473 HydrophobicContact CZ-CD1 4.06Å |
| 412 | V | 91.4 | Very high | 90 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | F232 L233 Q408 G409 T414 T415 V416 | F232-V412 HydrophobicContact CD1-CG1 4.14Å; F232-V412 HydrophobicContact CD1-CG2 3.67Å; F232-V412 HydrophobicContact CE1-CB 4.46Å; F232-V412 HydrophobicContact CE1-CG1 4.44Å; F232-V412 HydrophobicContact CE1-CG2 3.19Å; F232-V412 HydrophobicContact CZ-CG2 4.08Å; L233-V412 HydrophobicContact CB-CG1 4.21Å; L233-V412 HydrophobicContact CD2-CG1 4.34Å; Q408-V412 HydrophobicContact CG-CG2 4.09Å; Q408-V412 WeakPolarHBondContact O-CG2 3.48Å; Q408-V412 PolarHBondContact O-N 3.42Å; Q408-V412 VanDerWaalsContact O-N 3.1Å; G409-V412 PolarHBondContact O-N 3.42Å; V412-T414 VanDerWaalsContact C-N 3.3Å; V412-T414 PolarHBondContact O-N 2.9Å; V412-T415 PolarHBondContact O-N 3.06Å; V412-V416 HydrophobicContact CG1-CG2 4.39Å; V412-V416 WeakPolarHBondContact O-CB 3.26Å; V412-V416 WeakPolarHBondContact O-CG2 3.43Å; V412-V416 PolarHBondContact O-N 3.32Å |
| 413 | L | 90.7 | Very high | 89 | Confident | 100 Ų | 100 | 41.2 Ų | 41.2 | 52% | 0.524 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 177.4 | -177.9 | 61.1 | 0 | 0 | 0 | 111 | G409 P410 F411 V416 I417 | G409-L413 WeakPolarHBondContact O-CB 3.23Å; G409-L413 PolarHBondContact O-N 3.42Å; P410-L413 PolarHBondContact O-N 3.03Å; F411-L413 VanDerWaalsContact C-N 3.32Å; F411-L413 PolarHBondContact O-N 3.34Å; L413-V416 PolarHBondContact O-N 3.41Å; L413-I417 HydrophobicContact CD1-CD1 4.03Å; L413-I417 HydrophobicContact CD1-CG1 4.42Å; L413-I417 HydrophobicContact CG-CD1 3.86Å; L413-I417 WeakPolarHBondContact O-CB 3.36Å; L413-I417 VanDerWaalsContact O-CG1 3.25Å; L413-I417 WeakPolarHBondContact O-CG1 3.12Å; L413-I417 PolarHBondContact O-N 3.35Å |
| 414 | T | 91.4 | Very high | 87.7 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.1 | -44.1 | 179 | -52.3 | 0 | 0 | 0 | 0 | 112 | P410 F411 V412 V416 I417 M418 I465 N466 S469 | P410-T414 VanDerWaalsContact O-CB 3.32Å; P410-T414 WeakPolarHBondContact O-CB 3.43Å; P410-T414 PolarHBondContact O-N 3.12Å; P410-T414 PolarHBondContact O-OG1 3.24Å; F411-T414 PolarHBondContact O-N 2.74Å; F411-T414 VanDerWaalsContact O-N 3.13Å; V412-T414 VanDerWaalsContact C-N 3.3Å; V412-T414 PolarHBondContact O-N 2.9Å; T414-V416 VanDerWaalsContact C-N 3.26Å; T414-V416 PolarHBondContact O-N 3.1Å; T414-I417 PolarHBondContact O-N 2.83Å; T414-M418 HydrophobicContact CG2-CG 4.15Å; T414-M418 VanDerWaalsContact O-CB 3.31Å; T414-M418 WeakPolarHBondContact O-CB 3.35Å; T414-M418 VanDerWaalsContact O-CG 3.24Å; T414-M418 WeakPolarHBondContact O-CG 3.47Å; T414-M418 PolarHBondContact O-N 3.44Å; T414-I465 HydrophobicContact CG2-CB 4.48Å; T414-I465 HydrophobicContact CG2-CG2 4.32Å; T414-I465 WeakPolarHBondContact OG1-CG2 3.3Å; T414-N466 HydrophobicContact CG2-CB 3.99Å; T414-S469 PolarHBondContact OG1-OG 2.96Å |
| 415 | T | 88.8 | Confident | 86.2 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 173.9 | -49.5 | 0 | 0 | 0 | 0 | 111.6 | F411 V412 R419 | F411-T415 PolarHBondContact O-N 2.9Å; F411-T415 PolarHBondContact O-OG1 3.44Å; V412-T415 PolarHBondContact O-N 3.06Å; T415-R419 WeakPolarHBondContact O-CB 3.26Å; T415-R419 WeakPolarHBondContact O-CG 3.33Å; T415-R419 PolarHBondContact O-N 3.27Å |
| 416 | V | 88.2 | Confident | 84.4 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.9 | -54 | 175.4 | 167.7 | 0 | 0 | 0 | 0 | 110.2 | Q228 I229 V412 L413 T414 M418 R419 F420 | Q228-V416 HydrophobicContact CB-CG2 4.22Å; Q228-V416 HydrophobicContact CG-CG2 3.73Å; I229-V416 HydrophobicContact CD1-CG1 3.68Å; I229-V416 HydrophobicContact CD1-CG2 4.42Å; I229-V416 HydrophobicContact CG1-CG1 3.97Å; I229-V416 HydrophobicContact CG1-CG2 3.78Å; V412-V416 HydrophobicContact CG1-CG2 4.39Å; V412-V416 WeakPolarHBondContact O-CB 3.26Å; V412-V416 WeakPolarHBondContact O-CG2 3.43Å; V412-V416 PolarHBondContact O-N 3.32Å; L413-V416 PolarHBondContact O-N 3.41Å; T414-V416 VanDerWaalsContact C-N 3.26Å; T414-V416 PolarHBondContact O-N 3.1Å; V416-M418 VanDerWaalsContact C-N 3.34Å; V416-M418 PolarHBondContact O-N 3.49Å; V416-R419 PolarHBondContact O-N 3.2Å; V416-F420 HydrophobicContact CG1-CD2 3.75Å; V416-F420 HydrophobicContact CG1-CE2 3.93Å; V416-F420 WeakPolarHBondContact O-CD2 3.38Å; V416-F420 PolarHBondContact O-N 3Å |
| 417 | I | 88.6 | Confident | 82.7 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 35% | 0.354 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56 | -48 | 178.3 | -70.3 | 166.3 | 0 | 0 | 0 | 110.6 | L413 T414 R419 F420 S421 | L413-I417 HydrophobicContact CD1-CD1 4.03Å; L413-I417 HydrophobicContact CD1-CG1 4.42Å; L413-I417 HydrophobicContact CG-CD1 3.86Å; L413-I417 WeakPolarHBondContact O-CB 3.36Å; L413-I417 VanDerWaalsContact O-CG1 3.25Å; L413-I417 WeakPolarHBondContact O-CG1 3.12Å; L413-I417 PolarHBondContact O-N 3.35Å; T414-I417 PolarHBondContact O-N 2.83Å; I417-R419 PolarHBondContact O-N 2.86Å; I417-F420 PolarHBondContact O-N 3.44Å; I417-S421 VanDerWaalsContact O-CB 3.31Å; I417-S421 WeakPolarHBondContact O-CB 3.25Å; I417-S421 PolarHBondContact O-N 3.45Å; I417-S421 PolarHBondContact O-OG 2.88Å; I417-S421 VanDerWaalsContact O-OG 3.09Å |
| 418 | M | 87 | Confident | 81.1 | Confident | 81 Ų | 81 | 52.3 Ų | 52.3 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 179.3 | -71.8 | -63.9 | -76.4 | 0 | 0 | 112.4 | T414 V416 F420 S422 | T414-M418 HydrophobicContact CG2-CG 4.15Å; T414-M418 VanDerWaalsContact O-CB 3.31Å; T414-M418 WeakPolarHBondContact O-CB 3.35Å; T414-M418 VanDerWaalsContact O-CG 3.24Å; T414-M418 WeakPolarHBondContact O-CG 3.47Å; T414-M418 PolarHBondContact O-N 3.44Å; V416-M418 VanDerWaalsContact C-N 3.34Å; V416-M418 PolarHBondContact O-N 3.49Å; M418-F420 PolarHBondContact O-N 3.36Å; M418-S422 WeakPolarHBondContact O-CB 3.16Å; M418-S422 PolarHBondContact O-N 3.35Å |
| 419 | R | 84.8 | Confident | 79.6 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 19% | 0.185 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 176.4 | -76.3 | -170.8 | 176.2 | 129 | -8.6 | 112.3 | E144 D147 I224 T415 V416 I417 T423 | E144-R419 VanDerWaalsContact CD-NH2 3.32Å; E144-R419 IonicContact OE1-CZ 3.3Å; E144-R419 IonicContact OE1-NH2 2.85Å; E144-R419 PolarHBondContact OE1-NH2 3.28Å; E144-R419 IonicContact OE2-NH2 2.68Å; E144-R419 PolarHBondContact OE2-NH2 3.42Å; D147-R419 IonicContact OD2-CZ 3.73Å; D147-R419 VanDerWaalsContact OD2-CZ 3.3Å; D147-R419 IonicContact OD2-NH1 2.77Å; D147-R419 PolarHBondContact OD2-NH1 3.08Å; D147-R419 IonicContact OD2-NH2 2.68Å; D147-R419 PolarHBondContact OD2-NH2 3.38Å; I224-R419 HydrophobicContact CD1-CB 4.31Å; I224-R419 HydrophobicContact CG2-CB 4.45Å; T415-R419 WeakPolarHBondContact O-CB 3.26Å; T415-R419 WeakPolarHBondContact O-CG 3.33Å; T415-R419 PolarHBondContact O-N 3.27Å; V416-R419 PolarHBondContact O-N 3.2Å; I417-R419 PolarHBondContact O-N 2.86Å; R419-T423 PolarHBondContact O-N 3.22Å; R419-T423 PolarHBondContact O-OG1 3.42Å |
| 420 | F | 85.4 | Confident | 78.1 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.9 | -49.4 | 174.1 | -88.5 | -77.1 | 0 | 0 | 0 | 112.2 | I224 I229 V416 I417 M418 T423 G424 | I224-F420 HydrophobicContact CG2-CE2 4.29Å; I229-F420 HydrophobicContact CD1-CE2 4.28Å; V416-F420 HydrophobicContact CG1-CD2 3.75Å; V416-F420 HydrophobicContact CG1-CE2 3.93Å; V416-F420 WeakPolarHBondContact O-CD2 3.38Å; V416-F420 PolarHBondContact O-N 3Å; I417-F420 PolarHBondContact O-N 3.44Å; M418-F420 PolarHBondContact O-N 3.36Å; F420-T423 PolarHBondContact O-N 3.31Å; F420-T423 VanDerWaalsContact O-N 3.15Å; F420-G424 PolarHBondContact O-N 3.11Å; F420-G424 VanDerWaalsContact O-N 3.08Å |
| 421 | S | 84.2 | Confident | 76.8 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 42% | 0.42 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 179.7 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | I417 T423 G424 F425 | I417-S421 VanDerWaalsContact O-CB 3.31Å; I417-S421 WeakPolarHBondContact O-CB 3.25Å; I417-S421 PolarHBondContact O-N 3.45Å; I417-S421 PolarHBondContact O-OG 2.88Å; I417-S421 VanDerWaalsContact O-OG 3.09Å; S421-T423 VanDerWaalsContact C-N 3.29Å; S421-T423 PolarHBondContact O-N 2.8Å; S421-G424 PolarHBondContact O-N 2.81Å; S421-F425 PolarHBondContact O-N 3.1Å |
| 422 | S | 78.9 | Confident | 75.9 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.5 | -44.4 | 173 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | M418 G424 F425 Y426 | M418-S422 WeakPolarHBondContact O-CB 3.16Å; M418-S422 PolarHBondContact O-N 3.35Å; S422-G424 PolarHBondContact O-N 3.48Å; S422-F425 PolarHBondContact O-N 2.93Å; S422-Y426 WeakPolarHBondContact O-CD2 3.48Å; S422-Y426 PolarHBondContact O-N 3.26Å |
| 423 | T | 71.1 | Confident | 75 | Confident | 18 Ų | 18 | 69.7 Ų | 69.7 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.3 | -22.5 | 178 | -47 | 0 | 0 | 0 | 0 | 113 | I217 K221 R419 F420 S421 | I217-T423 HydrophobicContact CG2-CG2 4.26Å; K221-T423 HydrophobicContact CD-CG2 4.46Å; K221-T423 HydrophobicContact CG-CG2 4.33Å; R419-T423 PolarHBondContact O-N 3.22Å; R419-T423 PolarHBondContact O-OG1 3.42Å; F420-T423 PolarHBondContact O-N 3.31Å; F420-T423 VanDerWaalsContact O-N 3.15Å; S421-T423 VanDerWaalsContact C-N 3.29Å; S421-T423 PolarHBondContact O-N 2.8Å |
| 424 | G | 66.4 | Low | 74.3 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -81.7 | -44.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F420 S421 S422 Y426 L427 S428 | F420-G424 PolarHBondContact O-N 3.11Å; F420-G424 VanDerWaalsContact O-N 3.08Å; S421-G424 PolarHBondContact O-N 2.81Å; S422-G424 PolarHBondContact O-N 3.48Å; G424-Y426 PolarHBondContact O-N 3.05Å; G424-L427 PolarHBondContact O-N 3.41Å; G424-L427 VanDerWaalsContact O-N 3.11Å; G424-S428 PolarHBondContact O-N 3.34Å; G424-S428 VanDerWaalsContact O-N 3.15Å |
| 425 | F | 59.4 | Low | 73.6 | Confident | 100 Ų | 100 | 74.2 Ų | 74.2 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | -178.1 | -105.3 | -84.7 | 0 | 0 | 0 | 112.2 | S421 S422 L427 S428 D429 K457 | S421-F425 PolarHBondContact O-N 3.1Å; S422-F425 PolarHBondContact O-N 2.93Å; F425-L427 PolarHBondContact O-N 2.94Å; F425-L427 VanDerWaalsContact O-N 3.15Å; F425-S428 PolarHBondContact O-N 3.38Å; F425-D429 WeakPolarHBondContact CD1-OD2 3.34Å; F425-D429 WeakPolarHBondContact O-CB 3.31Å; F425-D429 PolarHBondContact O-N 2.98Å; F425-K457 VanDerWaalsContact CZ-NZ 3.28Å |
| 426 | Y | 53.8 | Low | 73 | Confident | 165 Ų | 165 | 77.7 Ų | 77.7 | 65% | 0.647 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -56.6 | -33.5 | 175.3 | -76.1 | -64.2 | 0 | 0 | 0 | 113.4 | S422 G424 T430 | S422-Y426 WeakPolarHBondContact O-CD2 3.48Å; S422-Y426 PolarHBondContact O-N 3.26Å; G424-Y426 PolarHBondContact O-N 3.05Å; Y426-T430 WeakPolarHBondContact O-CB 3.33Å; Y426-T430 VanDerWaalsContact O-CG2 3.26Å; Y426-T430 WeakPolarHBondContact O-CG2 3.19Å; Y426-T430 PolarHBondContact O-N 3.5Å; Y426-T430 PolarHBondContact O-OG1 2.93Å |
| 427 | L | 58.5 | Low | 72.2 | Confident | 97 Ų | 97 | 80.3 Ų | 80.3 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -77.9 | -38.9 | 179.2 | -131.3 | 104.4 | 0 | 0 | 0 | 112.7 | G424 F425 T430 N431 | G424-L427 PolarHBondContact O-N 3.41Å; G424-L427 VanDerWaalsContact O-N 3.11Å; F425-L427 PolarHBondContact O-N 2.94Å; F425-L427 VanDerWaalsContact O-N 3.15Å; L427-T430 PolarHBondContact O-OG1 3.46Å; L427-N431 WeakPolarHBondContact O-CB 3.2Å; L427-N431 PolarHBondContact O-N 3Å; L427-N431 VanDerWaalsContact O-N 3.16Å |
| 428 | S | 61.9 | Low | 71.7 | Confident | 58 Ų | 58 | 82 Ų | 82 | 41% | 0.406 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 174.8 | 177.7 | 0 | 0 | 0 | 0 | 111 | G424 F425 N431 K432 | G424-S428 PolarHBondContact O-N 3.34Å; G424-S428 VanDerWaalsContact O-N 3.15Å; F425-S428 PolarHBondContact O-N 3.38Å; S428-N431 PolarHBondContact O-N 2.83Å; S428-K432 WeakPolarHBondContact O-CB 3.29Å; S428-K432 PolarHBondContact O-N 3.49Å |
| 429 | D | 60.4 | Low | 71 | Confident | 64 Ų | 64 | 83.6 Ų | 83.6 | 34% | 0.342 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -76.2 | -34.4 | -178.6 | -67.1 | -15.4 | 0 | 0 | 0 | 111.5 | F425 N431 K432 I433 | F425-D429 WeakPolarHBondContact CD1-OD2 3.34Å; F425-D429 WeakPolarHBondContact O-CB 3.31Å; F425-D429 PolarHBondContact O-N 2.98Å; D429-N431 VanDerWaalsContact C-N 3.34Å; D429-N431 PolarHBondContact O-N 2.91Å; D429-K432 PolarHBondContact O-N 3.32Å; D429-I433 HydrophobicContact CB-CD1 4.44Å; D429-I433 WeakPolarHBondContact O-CB 3.26Å; D429-I433 WeakPolarHBondContact O-CD1 3.35Å; D429-I433 WeakPolarHBondContact O-CG1 3.49Å; D429-I433 PolarHBondContact O-N 2.79Å |
| 430 | T | 62.4 | Low | 69.9 | Low | 68 Ų | 68 | 85.1 Ų | 85.1 | 42% | 0.417 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 169.4 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | Y426 L427 I433 I434 | Y426-T430 WeakPolarHBondContact O-CB 3.33Å; Y426-T430 VanDerWaalsContact O-CG2 3.26Å; Y426-T430 WeakPolarHBondContact O-CG2 3.19Å; Y426-T430 PolarHBondContact O-N 3.5Å; Y426-T430 PolarHBondContact O-OG1 2.93Å; L427-T430 PolarHBondContact O-OG1 3.46Å; T430-I433 PolarHBondContact O-N 2.88Å; T430-I434 VanDerWaalsContact O-CB 3.25Å; T430-I434 WeakPolarHBondContact O-CB 3.18Å; T430-I434 WeakPolarHBondContact O-CD1 3.36Å; T430-I434 WeakPolarHBondContact O-CG1 3.41Å; T430-I434 PolarHBondContact O-N 3.25Å |
| 431 | N | 65.8 | Low | 68.8 | Low | 90 Ų | 90 | 86 Ų | 86 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.7 | -38 | 176 | -77.1 | -14.1 | 0 | 0 | 0 | 112.2 | L427 S428 D429 N435 | L427-N431 WeakPolarHBondContact O-CB 3.2Å; L427-N431 PolarHBondContact O-N 3Å; L427-N431 VanDerWaalsContact O-N 3.16Å; S428-N431 PolarHBondContact O-N 2.83Å; D429-N431 VanDerWaalsContact C-N 3.34Å; D429-N431 PolarHBondContact O-N 2.91Å; N431-N435 VanDerWaalsContact O-CB 3.29Å; N431-N435 WeakPolarHBondContact O-CB 3.44Å; N431-N435 VanDerWaalsContact O-CG 3.23Å; N431-N435 PolarHBondContact O-N 3.2Å |
| 432 | K | 75.1 | Confident | 68.1 | Low | 129 Ų | 129 | 89 Ų | 89 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.7 | -41.1 | 172.6 | -83.9 | -171.3 | 172.6 | -173.7 | 0 | 112.5 | S428 D429 N436 | S428-K432 WeakPolarHBondContact O-CB 3.29Å; S428-K432 PolarHBondContact O-N 3.49Å; D429-K432 PolarHBondContact O-N 3.32Å; K432-N436 WeakPolarHBondContact O-CA 3.48Å; K432-N436 WeakPolarHBondContact O-CB 3.45Å; K432-N436 PolarHBondContact O-N 3.38Å; K432-N436 PolarHBondContact O-OD1 2.85Å |
| 433 | I | 71.7 | Confident | 67.3 | Low | 102 Ų | 102 | 90.4 Ų | 90.4 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67 | -46 | 176.5 | -69.6 | 163.3 | 0 | 0 | 0 | 109.2 | D429 T430 N435 N436 T437 | D429-I433 HydrophobicContact CB-CD1 4.44Å; D429-I433 WeakPolarHBondContact O-CB 3.26Å; D429-I433 WeakPolarHBondContact O-CD1 3.35Å; D429-I433 WeakPolarHBondContact O-CG1 3.49Å; D429-I433 PolarHBondContact O-N 2.79Å; T430-I433 PolarHBondContact O-N 2.88Å; I433-N435 PolarHBondContact O-N 3.1Å; I433-N436 PolarHBondContact O-N 3.19Å; I433-T437 WeakPolarHBondContact O-CA 3.39Å; I433-T437 WeakPolarHBondContact O-CB 3.11Å; I433-T437 PolarHBondContact O-N 3.46Å; I433-T437 PolarHBondContact O-OG1 3.48Å |
| 434 | I | 76.5 | Confident | 66.6 | Low | 98 Ų | 98 | 96.9 Ų | 96.9 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 175.6 | -71.3 | 163.5 | 0 | 0 | 0 | 110.5 | T430 T437 L438 | T430-I434 VanDerWaalsContact O-CB 3.25Å; T430-I434 WeakPolarHBondContact O-CB 3.18Å; T430-I434 WeakPolarHBondContact O-CD1 3.36Å; T430-I434 WeakPolarHBondContact O-CG1 3.41Å; T430-I434 PolarHBondContact O-N 3.25Å; I434-T437 PolarHBondContact O-N 3.38Å; I434-L438 WeakPolarHBondContact O-CB 3.48Å; I434-L438 PolarHBondContact O-N 2.95Å |
| 435 | N | 77.6 | Confident | 66.2 | Low | 102 Ų | 102 | 101.1 Ų | 101.1 | 55% | 0.545 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.4 | -41.3 | 178.8 | -72.4 | -9.5 | 0 | 0 | 0 | 112.6 | N431 I433 L438 L439 | N431-N435 VanDerWaalsContact O-CB 3.29Å; N431-N435 WeakPolarHBondContact O-CB 3.44Å; N431-N435 VanDerWaalsContact O-CG 3.23Å; N431-N435 PolarHBondContact O-N 3.2Å; I433-N435 PolarHBondContact O-N 3.1Å; N435-L438 PolarHBondContact O-N 3.47Å; N435-L439 WeakPolarHBondContact O-CB 3.11Å; N435-L439 PolarHBondContact O-N 3.41Å |
| 436 | N | 75.1 | Confident | 66.1 | Low | 94 Ų | 94 | 103.1 Ų | 103.1 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.9 | -29.3 | 178.9 | -70.9 | -0.1 | 0 | 0 | 0 | 112.3 | K432 I433 L439 L440 | K432-N436 WeakPolarHBondContact O-CA 3.48Å; K432-N436 WeakPolarHBondContact O-CB 3.45Å; K432-N436 PolarHBondContact O-N 3.38Å; K432-N436 PolarHBondContact O-OD1 2.85Å; I433-N436 PolarHBondContact O-N 3.19Å; N436-L439 PolarHBondContact O-N 2.72Å; N436-L440 WeakPolarHBondContact O-CB 3.47Å; N436-L440 WeakPolarHBondContact O-CD1 3.41Å; N436-L440 VanDerWaalsContact O-CG 3.25Å; N436-L440 WeakPolarHBondContact O-CG 3.47Å; N436-L440 PolarHBondContact O-N 2.96Å |
| 437 | T | 72.2 | Confident | 66 | Low | 72 Ų | 72 | 103.2 Ų | 103.2 | 44% | 0.442 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -74.6 | -36.4 | 171.9 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | I433 I434 L439 L440 C441 | I433-T437 WeakPolarHBondContact O-CA 3.39Å; I433-T437 WeakPolarHBondContact O-CB 3.11Å; I433-T437 PolarHBondContact O-N 3.46Å; I433-T437 PolarHBondContact O-OG1 3.48Å; I434-T437 PolarHBondContact O-N 3.38Å; T437-L439 VanDerWaalsContact C-N 3.33Å; T437-L440 PolarHBondContact O-N 2.87Å; T437-C441 VanDerWaalsContact O-CB 3.29Å; T437-C441 WeakPolarHBondContact O-CB 3.04Å; T437-C441 PolarHBondContact O-N 3.16Å; T437-C441 PolarHBondContact O-SG 2.84Å; T437-C441 VanDerWaalsContact O-SG 3.37Å |
| 438 | L | 76.7 | Confident | 65.9 | Low | 105 Ų | 105 | 106 Ų | 106 | 55% | 0.55 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.1 | -41 | 167.3 | -111.5 | 153.7 | 0 | 0 | 0 | 111.6 | I434 N435 N442 | I434-L438 WeakPolarHBondContact O-CB 3.48Å; I434-L438 PolarHBondContact O-N 2.95Å; N435-L438 PolarHBondContact O-N 3.47Å; L438-N442 PolarHBondContact O-N 3.1Å; L438-N442 PolarHBondContact O-ND2 3.44Å |
| 439 | L | 72.2 | Confident | 65.6 | Low | 113 Ų | 113 | 111.9 Ų | 111.9 | 59% | 0.592 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.9 | -43.2 | 176.6 | -150.9 | 105.8 | 0 | 0 | 0 | 111.7 | N435 N436 T437 N442 T443 | N435-L439 WeakPolarHBondContact O-CB 3.11Å; N435-L439 PolarHBondContact O-N 3.41Å; N436-L439 PolarHBondContact O-N 2.72Å; T437-L439 VanDerWaalsContact C-N 3.33Å; L439-N442 CarbonylContact O-C 3.5Å; L439-N442 WeakPolarHBondContact O-CA 3.41Å; L439-N442 WeakPolarHBondContact O-CB 3.46Å; L439-N442 PolarHBondContact O-N 3.1Å; L439-T443 PolarHBondContact O-N 3.05Å; L439-T443 VanDerWaalsContact O-N 3.08Å; L439-T443 PolarHBondContact O-OG1 2.81Å |
| 440 | L | 63 | Low | 65.5 | Low | 81 Ų | 81 | 115.7 Ų | 115.7 | 42% | 0.424 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68 | -37 | 177.5 | -82.1 | 164.6 | 0 | 0 | 0 | 112.3 | N436 T437 N442 T443 F444 | N436-L440 WeakPolarHBondContact O-CB 3.47Å; N436-L440 WeakPolarHBondContact O-CD1 3.41Å; N436-L440 VanDerWaalsContact O-CG 3.25Å; N436-L440 WeakPolarHBondContact O-CG 3.47Å; N436-L440 PolarHBondContact O-N 2.96Å; T437-L440 PolarHBondContact O-N 2.87Å; L440-N442 PolarHBondContact O-N 3.28Å; L440-T443 WeakPolarHBondContact CA-OG1 3.39Å; L440-T443 PolarHBondContact O-N 2.85Å; L440-T443 VanDerWaalsContact O-N 3.07Å; L440-F444 HydrophobicContact CB-CD2 4.06Å; L440-F444 HydrophobicContact CB-CE2 4.39Å; L440-F444 HydrophobicContact CD2-CD2 3.95Å; L440-F444 HydrophobicContact CD2-CE2 3.82Å; L440-F444 WeakPolarHBondContact O-CB 3.42Å; L440-F444 PolarHBondContact O-N 3.28Å |
| 441 | C | 61.4 | Low | 65.1 | Low | 100 Ų | 100 | 121.3 Ų | 121.3 | 68% | 0.676 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.4 | -24.4 | 169.7 | -79.9 | 0 | 0 | 0 | 0 | 112.7 | T437 | T437-C441 VanDerWaalsContact O-CB 3.29Å; T437-C441 WeakPolarHBondContact O-CB 3.04Å; T437-C441 PolarHBondContact O-N 3.16Å; T437-C441 PolarHBondContact O-SG 2.84Å; T437-C441 VanDerWaalsContact O-SG 3.37Å |
| 442 | N | 69.4 | Low | 64.7 | Low | 123 Ų | 123 | 122.6 Ų | 122.6 | 66% | 0.658 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -10.9 | 174.4 | -66.5 | -21.5 | 0 | 0 | 0 | 113.8 | L438 L439 L440 | L438-N442 PolarHBondContact O-N 3.1Å; L438-N442 PolarHBondContact O-ND2 3.44Å; L439-N442 CarbonylContact O-C 3.5Å; L439-N442 WeakPolarHBondContact O-CA 3.41Å; L439-N442 WeakPolarHBondContact O-CB 3.46Å; L439-N442 PolarHBondContact O-N 3.1Å; L440-N442 PolarHBondContact O-N 3.28Å |
| 443 | T | 62.3 | Low | 63.9 | Low | 77 Ų | 77 | 124 Ų | 124 | 47% | 0.472 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.4 | -8.9 | -178.9 | 58.9 | 0 | 0 | 0 | 0 | 115.4 | L439 L440 T445 | L439-T443 PolarHBondContact O-N 3.05Å; L439-T443 VanDerWaalsContact O-N 3.08Å; L439-T443 PolarHBondContact O-OG1 2.81Å; L440-T443 WeakPolarHBondContact CA-OG1 3.39Å; L440-T443 PolarHBondContact O-N 2.85Å; L440-T443 VanDerWaalsContact O-N 3.07Å; T443-T445 PolarHBondContact O-N 2.81Å |
| 444 | F | 57.5 | Low | 63.2 | Low | 155 Ų | 155 | 124.7 Ų | 124.7 | 68% | 0.68 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 12.9 | 179.8 | -111.4 | -67.8 | 0 | 0 | 0 | 115.6 | L440 D446 | L440-F444 HydrophobicContact CB-CD2 4.06Å; L440-F444 HydrophobicContact CB-CE2 4.39Å; L440-F444 HydrophobicContact CD2-CD2 3.95Å; L440-F444 HydrophobicContact CD2-CE2 3.82Å; L440-F444 WeakPolarHBondContact O-CB 3.42Å; L440-F444 PolarHBondContact O-N 3.28Å; F444-D446 VanDerWaalsContact C-N 3.3Å |
| 445 | T | 58.3 | Low | 62.4 | Low | 131 Ų | 131 | 125.9 Ų | 125.9 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -10.9 | 171.7 | 43.1 | 0 | 0 | 0 | 0 | 114 | T443 | T443-T445 PolarHBondContact O-N 2.81Š|
| 446 | D | 55.9 | Low | 61.8 | Low | 141 Ų | 141 | 126.4 Ų | 126.4 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -112.5 | 118.2 | 171.1 | -91.4 | -48.6 | 0 | 0 | 0 | 111.7 | F444 | F444-D446 VanDerWaalsContact C-N 3.3Š|
| 447 | Q | 52.4 | Low | 61.8 | Low | 167 Ų | 167 | 129.4 Ų | 129.4 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | trans | -79.3 | 158.5 | 169.2 | -69.2 | 176.4 | -50.2 | 0 | 0 | 110.4 | ||||
| 448 | N | 56.9 | Low | 62.1 | Low | 157 Ų | 157 | 131.3 Ų | 131.3 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | trans | 93.6 | 45.5 | 170.3 | -45.3 | -41.3 | 0 | 0 | 0 | 118.1 | ||||
| 449 | H | 55.8 | Low | 62.3 | Low | 181 Ų | 181 | 130.5 Ų | 130.5 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | trans | -122.6 | 126.9 | 160.5 | -124.8 | -80.5 | 0 | 0 | 0 | 114.7 | ||||
| 450 | I | 57.3 | Low | 62.9 | Low | 143 Ų | 143 | 126.4 Ų | 126.4 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | trans | -57.2 | 141.5 | -176.7 | -67 | 157.1 | 0 | 0 | 0 | 111.4 | T452 | I450-T452 VanDerWaalsContact C-N 3.35Å; I450-T452 PolarHBondContact O-N 3.47Å | ||
| 451 | E | 54.7 | Low | 64.2 | Low | 186 Ų | 186 | 130.5 Ų | 130.5 | 87% | 0.869 | 69% | 0.694 | S | S | * | * | trans | -61.3 | 88.8 | 173 | -64.6 | -175.1 | 151.6 | 0 | 0 | 111.5 | I453 | E451-I453 PolarHBondContact O-N 3.22Š| ||
| 452 | T | 57.1 | Low | 65.4 | Low | 118 Ų | 118 | 127.5 Ų | 127.5 | 72% | 0.724 | 68% | 0.676 | S | S | * | * | trans | -68.9 | 101.1 | 170.2 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | I450 T454 | I450-T452 VanDerWaalsContact C-N 3.35Å; I450-T452 PolarHBondContact O-N 3.47Å; T452-T454 PolarHBondContact O-N 2.89Å | ||
| 453 | I | 58.1 | Low | 66.3 | Low | 157 Ų | 157 | 124.4 Ų | 124.4 | 81% | 0.805 | 66% | 0.659 | S | S | * | * | trans | -46 | 113.2 | 170.8 | -60.7 | 171.1 | 0 | 0 | 0 | 108.6 | E451 | E451-I453 PolarHBondContact O-N 3.22Š| ||
| 454 | T | 57.3 | Low | 67.8 | Low | 117 Ų | 117 | 122.8 Ų | 122.8 | 72% | 0.718 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 135 | -177.6 | 50 | 0 | 0 | 0 | 0 | 110 | T452 N456 | T452-T454 PolarHBondContact O-N 2.89Å; T454-N456 PolarHBondContact O-N 3.06Å |
| 455 | P | 58.4 | Low | 69.5 | Low | 123 Ų | 123 | 117.1 Ų | 117.1 | 80% | 0.799 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -58 | 136.6 | -171.8 | 22.2 | -33.7 | 0 | 0 | 0 | 112 | K457 | P455-K457 PolarHBondContact O-N 3.47Å; P455-K457 VanDerWaalsContact O-N 3.15Å |
| 456 | N | 66.4 | Low | 71.1 | Confident | 114 Ų | 114 | 113.7 Ų | 113.7 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 117.9 | -177 | -65.5 | -26.4 | 0 | 0 | 0 | 110.9 | D53 T454 P458 | D53-N456 PolarHBondContact OD2-ND2 3.24Å; T454-N456 PolarHBondContact O-N 3.06Å; N456-P458 WeakPolarHBondContact O-CD 3.39Å |
| 457 | K | 74.1 | Confident | 72.9 | Confident | 156 Ų | 156 | 107.3 Ų | 107.3 | 68% | 0.678 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 121.8 | 169.4 | -178.2 | -176.1 | 176.3 | -170.5 | 0 | 107.1 | F425 P455 F459 | F425-K457 VanDerWaalsContact CZ-NZ 3.28Å; P455-K457 PolarHBondContact O-N 3.47Å; P455-K457 VanDerWaalsContact O-N 3.15Å; K457-F459 PolarHBondContact O-N 3.19Å |
| 458 | P | 78.3 | Confident | 75 | Confident | 112 Ų | 112 | 103.5 Ų | 103.5 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -60 | 140 | -176.1 | 23.9 | -34 | 0 | 0 | 0 | 110.5 | N456 G460 | N456-P458 WeakPolarHBondContact O-CD 3.39Å; P458-G460 PolarHBondContact O-N 3.28Å |
| 459 | F | 80.6 | Confident | 76.9 | Confident | 89 Ų | 89 | 96 Ų | 96 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 124.4 | 178.1 | -79 | -76.8 | 0 | 0 | 0 | 110.2 | D56 L57 K457 D463 Y464 | D56-F459 HydrophobicContact CB-CD2 4.31Å; L57-F459 HydrophobicContact CB-CE2 4.38Å; L57-F459 HydrophobicContact CD1-CZ 3.98Å; K457-F459 PolarHBondContact O-N 3.19Å; F459-D463 HydrophobicContact CD1-CB 4.48Å; F459-Y464 HydrophobicContact CB-CE2 3.92Å |
| 460 | G | 86.3 | Confident | 78.8 | Confident | 27 Ų | 27 | 88.3 Ų | 88.3 | 28% | 0.278 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 150.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P458 A462 D463 | P458-G460 PolarHBondContact O-N 3.28Å; G460-A462 PolarHBondContact O-N 3.43Å; G460-A462 VanDerWaalsContact O-N 3.08Å; G460-D463 WeakPolarHBondContact CA-OD2 3.24Å; G460-D463 PolarHBondContact N-OD2 2.79Å; G460-D463 WeakPolarHBondContact O-CB 3.44Å; G460-D463 PolarHBondContact O-N 2.66Å |
| 461 | F | 89.6 | Confident | 80.7 | Confident | 167 Ų | 167 | 82.4 Ų | 82.4 | 73% | 0.732 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -49.8 | -36.7 | 169 | 177.7 | -123.3 | 0 | 0 | 0 | 112 | D463 Y464 I465 | F461-D463 VanDerWaalsContact C-N 3.27Å; F461-D463 PolarHBondContact O-N 2.94Å; F461-Y464 PolarHBondContact O-N 3.27Å; F461-I465 HydrophobicContact CD1-CD1 3.43Å; F461-I465 VanDerWaalsContact CD1-CD1 3.43Å; F461-I465 HydrophobicContact CD1-CG1 4.05Å; F461-I465 HydrophobicContact CD2-CG1 4.29Å; F461-I465 HydrophobicContact CE1-CD1 3.28Å; F461-I465 HydrophobicContact CE1-CG1 3.78Å; F461-I465 HydrophobicContact CE2-CD1 4.42Å; F461-I465 HydrophobicContact CE2-CG1 4.03Å; F461-I465 HydrophobicContact CG-CD1 4.07Å; F461-I465 HydrophobicContact CG-CG1 4.29Å; F461-I465 HydrophobicContact CZ-CD1 3.82Å; F461-I465 HydrophobicContact CZ-CG1 3.75Å; F461-I465 VanDerWaalsContact O-CG1 3.31Å; F461-I465 WeakPolarHBondContact O-CG1 3.29Å; F461-I465 PolarHBondContact O-N 3.47Å; F461-I465 VanDerWaalsContact O-N 3.1Å |
| 462 | A | 87.3 | Confident | 82.7 | Confident | 37 Ų | 37 | 74.4 Ų | 74.4 | 31% | 0.306 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56.8 | -34.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G460 Y464 I465 N466 | G460-A462 PolarHBondContact O-N 3.43Å; G460-A462 VanDerWaalsContact O-N 3.08Å; A462-Y464 VanDerWaalsContact C-N 3.33Å; A462-Y464 PolarHBondContact O-N 3.14Å; A462-I465 PolarHBondContact O-N 3.28Å; A462-N466 PolarHBondContact O-N 3.48Å |
| 463 | D | 87.9 | Confident | 84.5 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 31% | 0.305 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.1 | -35.8 | -178.7 | -58.2 | -47.9 | 0 | 0 | 0 | 110.9 | Y60 F459 G460 F461 P467 | Y60-D463 HydrophobicContact CE2-CB 4.15Å; Y60-D463 WeakPolarHBondContact CE2-O 3.17Å; F459-D463 HydrophobicContact CD1-CB 4.48Å; G460-D463 WeakPolarHBondContact CA-OD2 3.24Å; G460-D463 PolarHBondContact N-OD2 2.79Å; G460-D463 WeakPolarHBondContact O-CB 3.44Å; G460-D463 PolarHBondContact O-N 2.66Å; F461-D463 VanDerWaalsContact C-N 3.27Å; F461-D463 PolarHBondContact O-N 2.94Å; D463-P467 WeakPolarHBondContact O-CD 3.5Å |
| 464 | Y | 93.2 | Very high | 86.3 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -78.5 | -33.4 | 174.9 | -65 | -79.9 | 0 | 0 | 0 | 113.6 | D56 V59 L63 F459 F461 A462 N466 P467 I468 | D56-Y464 PolarHBondContact O-OH 3.44Å; V59-Y464 HydrophobicContact CG1-CE1 4.37Å; L63-Y464 HydrophobicContact CD2-CD1 3.95Å; F459-Y464 HydrophobicContact CB-CE2 3.92Å; F461-Y464 PolarHBondContact O-N 3.27Å; A462-Y464 VanDerWaalsContact C-N 3.33Å; A462-Y464 PolarHBondContact O-N 3.14Å; Y464-N466 VanDerWaalsContact C-N 3.25Å; Y464-N466 PolarHBondContact O-N 3.17Å; Y464-P467 VanDerWaalsContact O-CD 3.28Å; Y464-P467 WeakPolarHBondContact O-CD 3.48Å; Y464-P467 WeakPolarHBondContact O-CG 3.17Å; Y464-I468 WeakPolarHBondContact O-CD1 3.3Å; Y464-I468 VanDerWaalsContact O-CG1 3.22Å; Y464-I468 WeakPolarHBondContact O-CG1 3.44Å; Y464-I468 PolarHBondContact O-N 3.45Å |
| 465 | I | 93.8 | Very high | 88.2 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 19% | 0.185 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 179.4 | -58 | 160.9 | 0 | 0 | 0 | 111.2 | T414 F461 A462 I468 S469 | T414-I465 HydrophobicContact CG2-CB 4.48Å; T414-I465 HydrophobicContact CG2-CG2 4.32Å; T414-I465 WeakPolarHBondContact OG1-CG2 3.3Å; F461-I465 HydrophobicContact CD1-CD1 3.43Å; F461-I465 VanDerWaalsContact CD1-CD1 3.43Å; F461-I465 HydrophobicContact CD1-CG1 4.05Å; F461-I465 HydrophobicContact CD2-CG1 4.29Å; F461-I465 HydrophobicContact CE1-CD1 3.28Å; F461-I465 HydrophobicContact CE1-CG1 3.78Å; F461-I465 HydrophobicContact CE2-CD1 4.42Å; F461-I465 HydrophobicContact CE2-CG1 4.03Å; F461-I465 HydrophobicContact CG-CD1 4.07Å; F461-I465 HydrophobicContact CG-CG1 4.29Å; F461-I465 HydrophobicContact CZ-CD1 3.82Å; F461-I465 HydrophobicContact CZ-CG1 3.75Å; F461-I465 VanDerWaalsContact O-CG1 3.31Å; F461-I465 WeakPolarHBondContact O-CG1 3.29Å; F461-I465 PolarHBondContact O-N 3.47Å; F461-I465 VanDerWaalsContact O-N 3.1Å; A462-I465 PolarHBondContact O-N 3.28Å; I465-I468 PolarHBondContact O-N 3.42Å; I465-S469 VanDerWaalsContact O-CB 3.27Å; I465-S469 WeakPolarHBondContact O-CB 3.08Å; I465-S469 PolarHBondContact O-N 2.88Å; I465-S469 PolarHBondContact O-OG 3.34Å |
| 466 | N | 92.1 | Very high | 90 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.8 | -57.6 | -177.1 | -170.9 | 43.9 | 0 | 0 | 0 | 113.6 | T414 A462 Y464 I468 S469 V470 | T414-N466 HydrophobicContact CG2-CB 3.99Å; A462-N466 PolarHBondContact O-N 3.48Å; Y464-N466 VanDerWaalsContact C-N 3.25Å; Y464-N466 PolarHBondContact O-N 3.17Å; N466-I468 VanDerWaalsContact C-N 3.33Å; N466-I468 PolarHBondContact O-N 3.28Å; N466-S469 WeakPolarHBondContact O-CB 3.24Å; N466-S469 PolarHBondContact O-N 2.86Å; N466-S469 VanDerWaalsContact O-N 3.13Å; N466-V470 WeakPolarHBondContact O-CG2 3.49Å; N466-V470 PolarHBondContact O-N 2.76Å |
| 467 | P | 94.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 5% | 0.045 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 176 | 26.9 | -35.2 | 0 | 0 | 0 | 112.5 | L63 K64 D463 Y464 S469 V470 I471 | L63-P467 HydrophobicContact CD2-CG 3.89Å; L63-P467 HydrophobicContact CG-CB 4.13Å; L63-P467 HydrophobicContact CG-CG 3.99Å; K64-P467 HydrophobicContact CB-CB 4.41Å; D463-P467 WeakPolarHBondContact O-CD 3.5Å; Y464-P467 VanDerWaalsContact O-CD 3.28Å; Y464-P467 WeakPolarHBondContact O-CD 3.48Å; Y464-P467 WeakPolarHBondContact O-CG 3.17Å; P467-S469 VanDerWaalsContact C-N 3.26Å; P467-S469 PolarHBondContact O-N 3.47Å; P467-V470 PolarHBondContact O-N 3.43Å; P467-I471 WeakPolarHBondContact O-CD1 3.22Å; P467-I471 VanDerWaalsContact O-CG1 3.31Å; P467-I471 WeakPolarHBondContact O-CG1 3.42Å; P467-I471 PolarHBondContact O-N 3.39Å |
| 468 | I | 96.2 | Very high | 92.3 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 45% | 0.451 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.6 | -40.8 | 173.3 | -67.6 | 169.7 | 0 | 0 | 0 | 110.9 | L63 Y464 I465 N466 I471 A472 | L63-I468 HydrophobicContact CD1-CG1 4.44Å; L63-I468 HydrophobicContact CD2-CG1 4.15Å; Y464-I468 WeakPolarHBondContact O-CD1 3.3Å; Y464-I468 VanDerWaalsContact O-CG1 3.22Å; Y464-I468 WeakPolarHBondContact O-CG1 3.44Å; Y464-I468 PolarHBondContact O-N 3.45Å; I465-I468 PolarHBondContact O-N 3.42Å; N466-I468 VanDerWaalsContact C-N 3.33Å; N466-I468 PolarHBondContact O-N 3.28Å; I468-I471 PolarHBondContact O-N 2.68Å; I468-A472 WeakPolarHBondContact O-CB 3.13Å; I468-A472 PolarHBondContact O-N 3.41Å |
| 469 | S | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.1 | -34.9 | 178.3 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | P410 T414 I465 N466 P467 A472 L473 | P410-S469 WeakPolarHBondContact CB-OG 3.37Å; P410-S469 PolarHBondContact O-OG 3.13Å; T414-S469 PolarHBondContact OG1-OG 2.96Å; I465-S469 VanDerWaalsContact O-CB 3.27Å; I465-S469 WeakPolarHBondContact O-CB 3.08Å; I465-S469 PolarHBondContact O-N 2.88Å; I465-S469 PolarHBondContact O-OG 3.34Å; N466-S469 WeakPolarHBondContact O-CB 3.24Å; N466-S469 PolarHBondContact O-N 2.86Å; N466-S469 VanDerWaalsContact O-N 3.13Å; P467-S469 VanDerWaalsContact C-N 3.26Å; P467-S469 PolarHBondContact O-N 3.47Å; S469-A472 PolarHBondContact O-N 2.7Å; S469-L473 PolarHBondContact O-N 3.48Å |
| 470 | V | 95.7 | Very high | 93.6 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 11% | 0.109 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -42.7 | 172.9 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | F72 L113 F411 N466 P467 L473 A474 | F72-V470 HydrophobicContact CE2-CG1 4.39Å; F72-V470 HydrophobicContact CZ-CG1 3.7Å; L113-V470 HydrophobicContact CD2-CG1 4.45Å; F411-V470 HydrophobicContact CD2-CG2 4.31Å; F411-V470 HydrophobicContact CE2-CG2 4.11Å; N466-V470 WeakPolarHBondContact O-CG2 3.49Å; N466-V470 PolarHBondContact O-N 2.76Å; P467-V470 PolarHBondContact O-N 3.43Å; V470-L473 WeakPolarHBondContact O-CB 3.47Å; V470-L473 PolarHBondContact O-N 3.29Å; V470-A474 PolarHBondContact O-N 2.95Å |
| 471 | I | 96.7 | Very high | 93.9 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 172.9 | -67.8 | 160.2 | 0 | 0 | 0 | 110.6 | L63 L67 P68 I71 P467 I468 L473 A474 L475 | L63-I471 HydrophobicContact CD1-CD1 3.88Å; L67-I471 HydrophobicContact CD2-CD1 3.82Å; L67-I471 HydrophobicContact CG-CD1 4.17Å; P68-I471 HydrophobicContact CB-CG1 4.38Å; P68-I471 HydrophobicContact CG-CD1 4.25Å; P68-I471 HydrophobicContact CG-CG1 3.91Å; I71-I471 HydrophobicContact CD1-CG2 3.77Å; P467-I471 WeakPolarHBondContact O-CD1 3.22Å; P467-I471 VanDerWaalsContact O-CG1 3.31Å; P467-I471 WeakPolarHBondContact O-CG1 3.42Å; P467-I471 PolarHBondContact O-N 3.39Å; I468-I471 PolarHBondContact O-N 2.68Å; I471-L473 VanDerWaalsContact C-N 3.31Å; I471-L473 PolarHBondContact O-N 3.43Å; I471-A474 WeakPolarHBondContact O-CB 3.08Å; I471-A474 PolarHBondContact O-N 3.02Å; I471-A474 VanDerWaalsContact O-N 3.12Å; I471-L475 HydrophobicContact CG2-CD1 4.1Å; I471-L475 WeakPolarHBondContact O-CG 3.39Å; I471-L475 PolarHBondContact O-N 3.31Å |
| 472 | A | 97 | Very high | 94.1 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 15% | 0.149 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C407 I468 S469 L475 K476 | C407-A472 WeakPolarHBondContact CB-O 3.31Å; C407-A472 CarbonylContact O-C 3.58Å; C407-A472 PolarHBondContact SG-O 2.91Å; I468-A472 WeakPolarHBondContact O-CB 3.13Å; I468-A472 PolarHBondContact O-N 3.41Å; S469-A472 PolarHBondContact O-N 2.7Å; A472-L475 PolarHBondContact O-N 2.92Å; A472-K476 PolarHBondContact O-N 3.15Å; A472-K476 VanDerWaalsContact O-N 3.16Å |
| 473 | L | 96.3 | Very high | 94.4 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 171.6 | -82 | -174.6 | 0 | 0 | 0 | 113 | L113 L150 C407 Q408 F411 S469 V470 I471 L475 K476 | L113-L473 HydrophobicContact CD1-CB 4.38Å; L113-L473 HydrophobicContact CD1-CD1 4.19Å; L150-L473 HydrophobicContact CD1-CD1 3.96Å; L150-L473 HydrophobicContact CD2-CD1 4.36Å; L150-L473 HydrophobicContact CD2-CD2 4.1Å; C407-L473 PolarHBondContact O-N 3.35Å; Q408-L473 HydrophobicContact CB-CD2 3.96Å; Q408-L473 HydrophobicContact CG-CD2 3.96Å; F411-L473 HydrophobicContact CB-CD1 3.88Å; F411-L473 HydrophobicContact CB-CD2 4.35Å; F411-L473 HydrophobicContact CB-CG 3.89Å; F411-L473 HydrophobicContact CD1-CD1 3.68Å; F411-L473 HydrophobicContact CD2-CD1 3.45Å; F411-L473 VanDerWaalsContact CD2-CD1 3.45Å; F411-L473 HydrophobicContact CD2-CG 4.22Å; F411-L473 HydrophobicContact CE1-CD1 4.01Å; F411-L473 HydrophobicContact CE2-CD1 3.8Å; F411-L473 HydrophobicContact CG-CD1 3.37Å; F411-L473 HydrophobicContact CG-CG 3.97Å; F411-L473 HydrophobicContact CZ-CD1 4.06Å; S469-L473 PolarHBondContact O-N 3.48Å; V470-L473 WeakPolarHBondContact O-CB 3.47Å; V470-L473 PolarHBondContact O-N 3.29Å; I471-L473 VanDerWaalsContact C-N 3.31Å; I471-L473 PolarHBondContact O-N 3.43Å; L473-L475 VanDerWaalsContact C-N 3.33Å; L473-L475 PolarHBondContact O-N 2.83Å; L473-K476 WeakPolarHBondContact O-CB 3.41Å; L473-K476 PolarHBondContact O-N 2.93Å |
| 474 | A | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I71 F72 S75 L110 V470 I471 K476 S477 | I71-A474 HydrophobicContact CG2-CB 3.74Å; F72-A474 HydrophobicContact CD1-CB 3.84Å; F72-A474 HydrophobicContact CE1-CB 3.67Å; F72-A474 HydrophobicContact CZ-CB 4.48Å; S75-A474 PolarHBondContact OG-O 3.5Å; L110-A474 HydrophobicContact CD2-CB 4.39Å; V470-A474 PolarHBondContact O-N 2.95Å; I471-A474 WeakPolarHBondContact O-CB 3.08Å; I471-A474 PolarHBondContact O-N 3.02Å; I471-A474 VanDerWaalsContact O-N 3.12Å; A474-K476 PolarHBondContact O-N 3.29Å; A474-S477 PolarHBondContact O-N 3.36Å; A474-S477 PolarHBondContact O-OG 2.95Å |
| 475 | L | 96.3 | Very high | 94.3 | Very high | 72 Ų | 72 | 32.4 Ų | 32.4 | 38% | 0.377 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.7 | -20.4 | 176.7 | -65.6 | 172.3 | 0 | 0 | 0 | 113.6 | I71 I471 A472 L473 S477 D478 L479 | I71-L475 HydrophobicContact CG2-CD2 4.16Å; I71-L475 HydrophobicContact CG2-CG 4.48Å; I471-L475 HydrophobicContact CG2-CD1 4.1Å; I471-L475 WeakPolarHBondContact O-CG 3.39Å; I471-L475 PolarHBondContact O-N 3.31Å; A472-L475 PolarHBondContact O-N 2.92Å; L473-L475 VanDerWaalsContact C-N 3.33Å; L473-L475 PolarHBondContact O-N 2.83Å; L475-S477 VanDerWaalsContact C-N 3.27Å; L475-S477 PolarHBondContact O-N 3.48Å; L475-D478 PolarHBondContact O-N 2.95Å; L475-L479 WeakPolarHBondContact O-CB 3.3Å; L475-L479 WeakPolarHBondContact O-CG 3.29Å; L475-L479 PolarHBondContact O-N 3.15Å |
| 476 | K | 95.7 | Very high | 94.2 | Very high | 16 Ų | 16 | 40 Ų | 40 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.1 | -44.9 | 173.4 | -171.1 | -174.4 | 162.7 | -173.4 | 0 | 111.4 | S153 T403 C407 A472 L473 A474 S480 | S153-K476 PolarHBondContact OG-NZ 3.47Å; T403-K476 HydrophobicContact CG2-CG 4.16Å; C407-K476 HydrophobicContact CB-CB 3.67Å; C407-K476 HydrophobicContact CB-CG 4.09Å; A472-K476 PolarHBondContact O-N 3.15Å; A472-K476 VanDerWaalsContact O-N 3.16Å; L473-K476 WeakPolarHBondContact O-CB 3.41Å; L473-K476 PolarHBondContact O-N 2.93Å; A474-K476 PolarHBondContact O-N 3.29Å; K476-S480 WeakPolarHBondContact O-CB 3.38Å; K476-S480 PolarHBondContact O-N 3.31Å; K476-S480 VanDerWaalsContact O-N 3.07Å; K476-S480 PolarHBondContact O-OG 2.96Å |
| 477 | S | 93.7 | Very high | 94 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.063 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.3 | -41.3 | 179.9 | 6.8 | 0 | 0 | 0 | 0 | 112.3 | A474 L475 S480 F481 | A474-S477 PolarHBondContact O-N 3.36Å; A474-S477 PolarHBondContact O-OG 2.95Å; L475-S477 VanDerWaalsContact C-N 3.27Å; L475-S477 PolarHBondContact O-N 3.48Å; S477-S480 WeakPolarHBondContact O-CB 3.25Å; S477-S480 PolarHBondContact O-N 2.96Å; S477-F481 PolarHBondContact O-N 3.45Å |
| 478 | D | 95.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -49.3 | 179.5 | -65.7 | -32.7 | 0 | 0 | 0 | 111.2 | S75 L475 S480 F481 F482 | S75-D478 WeakPolarHBondContact CA-OD1 3.47Å; S75-D478 WeakPolarHBondContact CB-OD1 3.15Å; S75-D478 VanDerWaalsContact OG-CG 3.29Å; S75-D478 PolarHBondContact OG-OD1 3.45Å; S75-D478 PolarHBondContact OG-OD2 2.91Å; L475-D478 PolarHBondContact O-N 2.95Å; D478-S480 VanDerWaalsContact C-N 3.26Å; D478-S480 PolarHBondContact O-N 2.83Å; D478-F481 WeakPolarHBondContact O-CB 3.13Å; D478-F481 PolarHBondContact O-N 2.76Å; D478-F481 VanDerWaalsContact O-N 3.1Å; D478-F482 HydrophobicContact CB-CD2 4.41Å; D478-F482 HydrophobicContact CB-CE2 4.22Å; D478-F482 WeakPolarHBondContact O-CD2 3.39Å; D478-F482 PolarHBondContact O-N 3.32Å |
| 479 | L | 95.1 | Very high | 93.4 | Very high | 63 Ų | 63 | 41 Ų | 41 | 33% | 0.33 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.2 | -41.5 | 175.3 | -68.3 | 176.3 | 0 | 0 | 0 | 111.2 | T403 L475 F481 F482 F483 | T403-L479 HydrophobicContact CG2-CB 3.87Å; T403-L479 HydrophobicContact CG2-CD1 3.99Å; L475-L479 WeakPolarHBondContact O-CB 3.3Å; L475-L479 WeakPolarHBondContact O-CG 3.29Å; L475-L479 PolarHBondContact O-N 3.15Å; L479-F481 PolarHBondContact O-N 3.37Å; L479-F482 PolarHBondContact O-N 3.23Å; L479-F483 HydrophobicContact CB-CE2 4.03Å; L479-F483 HydrophobicContact CB-CZ 4.36Å; L479-F483 WeakPolarHBondContact O-CD2 3.34Å; L479-F483 WeakPolarHBondContact O-CG 3.36Å; L479-F483 PolarHBondContact O-N 2.97Å |
| 480 | S | 92 | Very high | 93.1 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 174.1 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | K476 S477 D478 F483 Y484 | K476-S480 WeakPolarHBondContact O-CB 3.38Å; K476-S480 PolarHBondContact O-N 3.31Å; K476-S480 VanDerWaalsContact O-N 3.07Å; K476-S480 PolarHBondContact O-OG 2.96Å; S477-S480 WeakPolarHBondContact O-CB 3.25Å; S477-S480 PolarHBondContact O-N 2.96Å; D478-S480 VanDerWaalsContact C-N 3.26Å; D478-S480 PolarHBondContact O-N 2.83Å; S480-F483 PolarHBondContact O-N 3.23Å; S480-Y484 WeakPolarHBondContact O-CD2 3.29Å; S480-Y484 PolarHBondContact O-N 3.06Å |
| 481 | F | 92.3 | Very high | 92.7 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 9% | 0.088 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | 174.2 | 168.9 | -112.8 | 0 | 0 | 0 | 112.7 | C78 V81 T82 S477 D478 L479 F483 Y484 C485 F491 L495 | C78-F481 HydrophobicContact CB-CB 4.21Å; C78-F481 HydrophobicContact CB-CD1 3.85Å; C78-F481 HydrophobicContact CB-CE1 4.35Å; C78-F481 HydrophobicContact CB-CG 3.99Å; C78-F481 WeakPolarHBondContact SG-CD1 3.43Å; V81-F481 HydrophobicContact CG1-CE2 4.12Å; V81-F481 HydrophobicContact CG1-CZ 4.34Å; T82-F481 WeakPolarHBondContact OG1-CD2 3.35Å; S477-F481 PolarHBondContact O-N 3.45Å; D478-F481 WeakPolarHBondContact O-CB 3.13Å; D478-F481 PolarHBondContact O-N 2.76Å; D478-F481 VanDerWaalsContact O-N 3.1Å; L479-F481 PolarHBondContact O-N 3.37Å; F481-F483 PolarHBondContact O-N 2.96Å; F481-Y484 PolarHBondContact O-N 3.24Å; F481-C485 WeakPolarHBondContact CE2-SG 3.48Å; F481-C485 VanDerWaalsContact CZ-SG 3.53Å; F481-C485 PolarHBondContact O-N 2.92Å; F481-C485 PolarHBondContact O-SG 3.21Å; F481-F491 HydrophobicContact CD2-CE1 4.23Å; F481-F491 HydrophobicContact CD2-CZ 4.21Å; F481-F491 AromaticContact CE2-CE1 3.77Å; F481-F491 HydrophobicContact CE2-CE1 3.77Å; F481-F491 AromaticContact CE2-CZ 3.92Å; F481-F491 HydrophobicContact CE2-CZ 3.92Å; F481-L495 HydrophobicContact CZ-CD2 4.12Å |
| 482 | F | 94.1 | Very high | 92.5 | Very high | 121 Ų | 121 | 49.5 Ų | 49.5 | 53% | 0.531 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 177.2 | -74.5 | -61.8 | 0 | 0 | 0 | 111.7 | D478 L479 C485 W486 | D478-F482 HydrophobicContact CB-CD2 4.41Å; D478-F482 HydrophobicContact CB-CE2 4.22Å; D478-F482 WeakPolarHBondContact O-CD2 3.39Å; D478-F482 PolarHBondContact O-N 3.32Å; L479-F482 PolarHBondContact O-N 3.23Å; F482-C485 WeakPolarHBondContact O-CB 3.25Å; F482-C485 PolarHBondContact O-N 3.26Å; F482-W486 VanDerWaalsContact O-CB 3.26Å; F482-W486 WeakPolarHBondContact O-CB 3.47Å; F482-W486 PolarHBondContact O-N 2.92Å |
| 483 | F | 92.5 | Very high | 92.3 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 174 | -59.5 | -38.2 | 0 | 0 | 0 | 112.3 | C399 T403 L479 S480 F481 C485 W486 F487 | C399-F483 HydrophobicContact CB-CD1 3.98Å; C399-F483 HydrophobicContact CB-CD2 3.83Å; C399-F483 HydrophobicContact CB-CE1 3.84Å; C399-F483 HydrophobicContact CB-CE2 3.68Å; C399-F483 HydrophobicContact CB-CG 3.99Å; C399-F483 HydrophobicContact CB-CZ 3.71Å; T403-F483 VanDerWaalsContact OG1-CE2 3.3Å; T403-F483 WeakPolarHBondContact OG1-CE2 3.41Å; L479-F483 HydrophobicContact CB-CE2 4.03Å; L479-F483 HydrophobicContact CB-CZ 4.36Å; L479-F483 WeakPolarHBondContact O-CD2 3.34Å; L479-F483 WeakPolarHBondContact O-CG 3.36Å; L479-F483 PolarHBondContact O-N 2.97Å; S480-F483 PolarHBondContact O-N 3.23Å; F481-F483 PolarHBondContact O-N 2.96Å; F483-C485 VanDerWaalsContact C-N 3.32Å; F483-C485 PolarHBondContact O-N 3.23Å; F483-W486 PolarHBondContact O-N 3.35Å; F483-F487 HydrophobicContact CB-CD2 4.02Å; F483-F487 HydrophobicContact CB-CE2 4.16Å; F483-F487 HydrophobicContact CD1-CE2 4.01Å; F483-F487 HydrophobicContact CG-CE2 4.36Å; F483-F487 VanDerWaalsContact O-CD2 3.25Å; F483-F487 WeakPolarHBondContact O-CD2 3.17Å; F483-F487 PolarHBondContact O-N 2.82Å |
| 484 | Y | 88.8 | Confident | 91.9 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 17% | 0.169 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 173.7 | -74.5 | -58.4 | 0 | 0 | 0 | 112.1 | I99 S480 F481 C488 | I99-Y484 HydrophobicContact CD1-CE1 4.08Å; S480-Y484 WeakPolarHBondContact O-CD2 3.29Å; S480-Y484 PolarHBondContact O-N 3.06Å; F481-Y484 PolarHBondContact O-N 3.24Å; Y484-C488 WeakPolarHBondContact O-CB 3.48Å; Y484-C488 PolarHBondContact O-N 3.48Å |
| 485 | C | 91.1 | Very high | 91.6 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 10% | 0.101 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 172.8 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | F481 F482 F483 F491 | F481-C485 WeakPolarHBondContact CE2-SG 3.48Å; F481-C485 VanDerWaalsContact CZ-SG 3.53Å; F481-C485 PolarHBondContact O-N 2.92Å; F481-C485 PolarHBondContact O-SG 3.21Å; F482-C485 WeakPolarHBondContact O-CB 3.25Å; F482-C485 PolarHBondContact O-N 3.26Å; F483-C485 VanDerWaalsContact C-N 3.32Å; F483-C485 PolarHBondContact O-N 3.23Å; C485-F491 VanDerWaalsContact SG-CE1 3.52Å |
| 486 | W | 91.2 | Very high | 91.5 | Very high | 196 Ų | 196 | 56.7 Ų | 56.7 | 74% | 0.742 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -74.5 | -45.7 | -173 | -173.6 | -90.5 | 0 | 0 | 0 | 113 | F482 F483 | F482-W486 VanDerWaalsContact O-CB 3.26Å; F482-W486 WeakPolarHBondContact O-CB 3.47Å; F482-W486 PolarHBondContact O-N 2.92Å; F483-W486 PolarHBondContact O-N 3.35Å |
| 487 | F | 87 | Confident | 91.3 | Very high | 31 Ų | 31 | 63 Ų | 63 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -89.4 | -24.8 | -174.2 | -65.5 | -68.5 | 0 | 0 | 0 | 113.9 | K392 I395 T396 F483 | K392-F487 HydrophobicContact CB-CD1 4.3Å; K392-F487 HydrophobicContact CG-CD1 4.49Å; I395-F487 HydrophobicContact CB-CE1 3.82Å; I395-F487 HydrophobicContact CB-CZ 4.06Å; I395-F487 HydrophobicContact CG2-CE1 3.6Å; I395-F487 HydrophobicContact CG2-CE2 4.46Å; I395-F487 HydrophobicContact CG2-CZ 3.41Å; I395-F487 VanDerWaalsContact CG2-CZ 3.41Å; T396-F487 HydrophobicContact CG2-CB 4.36Å; T396-F487 HydrophobicContact CG2-CD2 3.89Å; T396-F487 HydrophobicContact CG2-CG 4.34Å; T396-F487 WeakPolarHBondContact OG1-CB 3.48Å; T396-F487 WeakPolarHBondContact OG1-CD2 3.39Å; T396-F487 WeakPolarHBondContact OG1-CG 3.46Å; F483-F487 HydrophobicContact CB-CD2 4.02Å; F483-F487 HydrophobicContact CB-CE2 4.16Å; F483-F487 HydrophobicContact CD1-CE2 4.01Å; F483-F487 HydrophobicContact CG-CE2 4.36Å; F483-F487 VanDerWaalsContact O-CD2 3.25Å; F483-F487 WeakPolarHBondContact O-CD2 3.17Å; F483-F487 PolarHBondContact O-N 2.82Å |
| 488 | C | 87.4 | Confident | 91.1 | Very high | 55 Ų | 55 | 64 Ų | 64 | 37% | 0.372 | 30% | 0.297 | S | S | . | . | trans | -100.9 | 87.8 | 178.4 | -167.9 | 0 | 0 | 0 | 0 | 110.7 | Y484 R490 F491 L492 | Y484-C488 WeakPolarHBondContact O-CB 3.48Å; Y484-C488 PolarHBondContact O-N 3.48Å; C488-R490 CarbonylContact O-C 3.58Å; C488-R490 PolarHBondContact O-N 3.08Å; C488-F491 HydrophobicContact CB-CB 3.67Å; C488-F491 WeakPolarHBondContact O-CA 3.45Å; C488-F491 WeakPolarHBondContact O-CB 3.3Å; C488-F491 PolarHBondContact O-N 3.44Å; C488-F491 PolarHBondContact SG-N 2.75Å; C488-F491 VanDerWaalsContact SG-N 3.42Å; C488-L492 PolarHBondContact O-N 3.15Å | ||
| 489 | D | 91.1 | Very high | 90.9 | Very high | 87 Ų | 87 | 66.5 Ų | 66.5 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -49.4 | -36.7 | 175.4 | -54 | -35.2 | 0 | 0 | 0 | 111.7 | K392 L492 L493 | K392-D489 IonicContact NZ-OD1 2.72Å; K392-D489 PolarHBondContact NZ-OD1 2.97Å; K392-D489 IonicContact NZ-OD2 2.69Å; K392-D489 PolarHBondContact NZ-OD2 3.06Å; D489-L492 PolarHBondContact O-N 3.32Å; D489-L493 VanDerWaalsContact O-CG 3.3Å; D489-L493 WeakPolarHBondContact O-CG 3.26Å; D489-L493 PolarHBondContact O-N 3.39Å |
| 490 | R | 88.9 | Confident | 90.7 | Very high | 144 Ų | 144 | 71.2 Ų | 71.2 | 54% | 0.543 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -50.5 | 173.2 | -61.1 | -174.4 | -174 | -161 | 0.8 | 110.8 | R89 C488 L492 L493 A494 | R89-R490 PolarHBondContact NH1-O 3.03Å; R89-R490 PolarHBondContact NH2-O 3.04Å; C488-R490 CarbonylContact O-C 3.58Å; C488-R490 PolarHBondContact O-N 3.08Å; R490-L492 VanDerWaalsContact C-N 3.34Å; R490-L492 PolarHBondContact O-N 3.26Å; R490-L493 PolarHBondContact O-N 3.4Å; R490-L493 VanDerWaalsContact O-N 3.15Å; R490-A494 PolarHBondContact O-N 3.24Å |
| 491 | F | 88.6 | Confident | 90.5 | Very high | 11 Ų | 11 | 77.3 Ų | 77.3 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.6 | -48 | 178 | -174.4 | -84.8 | 0 | 0 | 0 | 111.1 | T82 A85 V86 F481 C485 C488 L493 A494 L495 | T82-F491 HydrophobicContact CG2-CE2 4.03Å; T82-F491 HydrophobicContact CG2-CZ 4.22Å; A85-F491 HydrophobicContact CB-CD2 4.19Å; A85-F491 HydrophobicContact CB-CE2 3.59Å; A85-F491 HydrophobicContact CB-CZ 3.91Å; V86-F491 HydrophobicContact CG2-CD2 4.4Å; V86-F491 HydrophobicContact CG2-CE2 4.15Å; F481-F491 HydrophobicContact CD2-CE1 4.23Å; F481-F491 HydrophobicContact CD2-CZ 4.21Å; F481-F491 AromaticContact CE2-CE1 3.77Å; F481-F491 HydrophobicContact CE2-CE1 3.77Å; F481-F491 AromaticContact CE2-CZ 3.92Å; F481-F491 HydrophobicContact CE2-CZ 3.92Å; C485-F491 VanDerWaalsContact SG-CE1 3.52Å; C488-F491 HydrophobicContact CB-CB 3.67Å; C488-F491 WeakPolarHBondContact O-CA 3.45Å; C488-F491 WeakPolarHBondContact O-CB 3.3Å; C488-F491 PolarHBondContact O-N 3.44Å; C488-F491 PolarHBondContact SG-N 2.75Å; C488-F491 VanDerWaalsContact SG-N 3.42Å; F491-L493 VanDerWaalsContact C-N 3.27Å; F491-L493 PolarHBondContact O-N 3.37Å; F491-A494 WeakPolarHBondContact O-CA 3.44Å; F491-A494 WeakPolarHBondContact O-CB 3.5Å; F491-A494 PolarHBondContact O-N 3.04Å; F491-L495 PolarHBondContact O-N 2.76Å |
| 492 | L | 91.7 | Very high | 90 | Very high | 61 Ų | 61 | 83.9 Ų | 83.9 | 32% | 0.319 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.3 | -40.3 | 175.6 | -169.1 | 72 | 0 | 0 | 0 | 112.4 | C488 D489 R490 A494 L495 K496 | C488-L492 PolarHBondContact O-N 3.15Å; D489-L492 PolarHBondContact O-N 3.32Å; R490-L492 VanDerWaalsContact C-N 3.34Å; R490-L492 PolarHBondContact O-N 3.26Å; L492-A494 VanDerWaalsContact C-N 3.35Å; L492-A494 PolarHBondContact O-N 3.28Å; L492-L495 PolarHBondContact O-N 3Å; L492-K496 HydrophobicContact CG-CD 4.41Å; L492-K496 WeakPolarHBondContact O-CB 3.29Å; L492-K496 WeakPolarHBondContact O-CG 3.17Å; L492-K496 PolarHBondContact O-N 3.21Å |
| 493 | L | 92.3 | Very high | 89.2 | Confident | 103 Ų | 103 | 83.1 Ų | 83.1 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68 | -28.4 | 174.5 | -72.3 | 169.4 | 0 | 0 | 0 | 113.7 | D489 R490 F491 K497 | D489-L493 VanDerWaalsContact O-CG 3.3Å; D489-L493 WeakPolarHBondContact O-CG 3.26Å; D489-L493 PolarHBondContact O-N 3.39Å; R490-L493 PolarHBondContact O-N 3.4Å; R490-L493 VanDerWaalsContact O-N 3.15Å; F491-L493 VanDerWaalsContact C-N 3.27Å; F491-L493 PolarHBondContact O-N 3.37Å; L493-K497 WeakPolarHBondContact O-CB 3.37Å; L493-K497 PolarHBondContact O-N 3.41Å |
| 494 | A | 89.1 | Confident | 88.1 | Confident | 8 Ų | 8 | 88.6 Ų | 88.6 | 7% | 0.066 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.5 | -48 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A85 R89 R490 F491 L492 K496 K497 I498 | A85-A494 HydrophobicContact CB-CB 4.44Å; R89-A494 VanDerWaalsContact NH1-CB 3.33Å; R89-A494 VanDerWaalsContact NH2-N 3.18Å; R490-A494 PolarHBondContact O-N 3.24Å; F491-A494 WeakPolarHBondContact O-CA 3.44Å; F491-A494 WeakPolarHBondContact O-CB 3.5Å; F491-A494 PolarHBondContact O-N 3.04Å; L492-A494 VanDerWaalsContact C-N 3.35Å; L492-A494 PolarHBondContact O-N 3.28Å; A494-K496 VanDerWaalsContact C-N 3.32Å; A494-K496 PolarHBondContact O-N 3.5Å; A494-K497 CarbonylContact O-C 3.32Å; A494-K497 WeakPolarHBondContact O-CA 3.25Å; A494-K497 WeakPolarHBondContact O-CB 3.5Å; A494-K497 PolarHBondContact O-N 2.85Å; A494-I498 WeakPolarHBondContact O-CG1 3.42Å; A494-I498 PolarHBondContact O-N 3.07Å |
| 495 | L | 90.4 | Very high | 87.1 | Confident | 33 Ų | 33 | 90 Ų | 90 | 17% | 0.173 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 177 | -172.4 | 61.7 | 0 | 0 | 0 | 110.4 | V81 F481 F491 L492 K497 I498 T499 | V81-L495 HydrophobicContact CG1-CD1 3.43Å; V81-L495 VanDerWaalsContact CG1-CD1 3.43Å; F481-L495 HydrophobicContact CZ-CD2 4.12Å; F491-L495 PolarHBondContact O-N 2.76Å; L492-L495 PolarHBondContact O-N 3Å; L495-K497 PolarHBondContact O-N 3.31Å; L495-I498 PolarHBondContact O-N 2.83Å; L495-I498 VanDerWaalsContact O-N 3.14Å; L495-T499 HydrophobicContact CD1-CG2 4.36Å; L495-T499 HydrophobicContact CG-CG2 4.48Å; L495-T499 WeakPolarHBondContact O-CG2 3.42Å; L495-T499 PolarHBondContact O-N 3Å; L495-T499 PolarHBondContact O-OG1 3.33Å; L495-T499 VanDerWaalsContact O-OG1 3.08Å |
| 496 | K | 93.3 | Very high | 85.9 | Confident | 104 Ų | 104 | 98.3 Ų | 98.3 | 45% | 0.452 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.2 | -19.5 | 172.8 | -73.7 | -178.9 | 177.3 | -176.1 | 0 | 114.5 | L492 A494 R500 | L492-K496 HydrophobicContact CG-CD 4.41Å; L492-K496 WeakPolarHBondContact O-CB 3.29Å; L492-K496 WeakPolarHBondContact O-CG 3.17Å; L492-K496 PolarHBondContact O-N 3.21Å; A494-K496 VanDerWaalsContact C-N 3.32Å; A494-K496 PolarHBondContact O-N 3.5Å; K496-R500 WeakPolarHBondContact O-CB 3.34Å; K496-R500 WeakPolarHBondContact O-CG 3.38Å; K496-R500 PolarHBondContact O-NE 3.04Å |
| 497 | K | 92 | Very high | 84.6 | Confident | 150 Ų | 150 | 96.2 Ų | 96.2 | 65% | 0.652 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -84.9 | -43.2 | 172.5 | -173 | -179.6 | 178.6 | -176.6 | 0 | 110.6 | L493 A494 L495 H501 | L493-K497 WeakPolarHBondContact O-CB 3.37Å; L493-K497 PolarHBondContact O-N 3.41Å; A494-K497 CarbonylContact O-C 3.32Å; A494-K497 WeakPolarHBondContact O-CA 3.25Å; A494-K497 WeakPolarHBondContact O-CB 3.5Å; A494-K497 PolarHBondContact O-N 2.85Å; L495-K497 PolarHBondContact O-N 3.31Å; K497-H501 WeakPolarHBondContact O-CB 3.31Å; K497-H501 PolarHBondContact O-N 3.32Å |
| 498 | I | 89.2 | Confident | 83.4 | Confident | 29 Ų | 29 | 101.5 Ų | 101.5 | 15% | 0.149 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64 | -48.3 | 178.4 | -65.8 | 164.9 | 0 | 0 | 0 | 110.6 | I84 A85 A494 L495 H501 K502 | I84-I498 HydrophobicContact CG2-CD1 4.35Å; A85-I498 HydrophobicContact CB-CD1 4Å; A494-I498 WeakPolarHBondContact O-CG1 3.42Å; A494-I498 PolarHBondContact O-N 3.07Å; L495-I498 PolarHBondContact O-N 2.83Å; L495-I498 VanDerWaalsContact O-N 3.14Å; I498-H501 PolarHBondContact O-N 3.33Å; I498-K502 HydrophobicContact CG2-CD 4.49Å; I498-K502 PolarHBondContact O-N 3.45Å |
| 499 | T | 89.9 | Confident | 82.1 | Confident | 65 Ų | 65 | 108.8 Ų | 108.8 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 179.1 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | L495 H501 K502 C503 | L495-T499 HydrophobicContact CD1-CG2 4.36Å; L495-T499 HydrophobicContact CG-CG2 4.48Å; L495-T499 WeakPolarHBondContact O-CG2 3.42Å; L495-T499 PolarHBondContact O-N 3Å; L495-T499 PolarHBondContact O-OG1 3.33Å; L495-T499 VanDerWaalsContact O-OG1 3.08Å; T499-H501 VanDerWaalsContact C-N 3.32Å; T499-H501 PolarHBondContact O-N 3.23Å; T499-K502 PolarHBondContact O-N 3.37Å; T499-C503 WeakPolarHBondContact O-CB 3.33Å; T499-C503 PolarHBondContact O-N 3.48Å |
| 500 | R | 92.5 | Very high | 80.7 | Confident | 161 Ų | 161 | 112.6 Ų | 112.6 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -39.4 | 173.8 | -80.7 | -173 | -77.2 | -179.5 | -4.9 | 112.8 | K496 W504 | K496-R500 WeakPolarHBondContact O-CB 3.34Å; K496-R500 WeakPolarHBondContact O-CG 3.38Å; K496-R500 PolarHBondContact O-NE 3.04Å; R500-W504 WeakPolarHBondContact O-CB 3.03Å |
| 501 | H | 86.9 | Confident | 79.3 | Confident | 146 Ų | 146 | 112.6 Ų | 112.6 | 68% | 0.676 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -81.8 | -25.6 | -177.3 | -157.5 | -61.4 | 0 | 0 | 0 | 114.1 | K497 I498 T499 P505 | K497-H501 WeakPolarHBondContact O-CB 3.31Å; K497-H501 PolarHBondContact O-N 3.32Å; I498-H501 PolarHBondContact O-N 3.33Å; T499-H501 VanDerWaalsContact C-N 3.32Å; T499-H501 PolarHBondContact O-N 3.23Å; H501-P505 WeakPolarHBondContact O-CD 3.39Å; H501-P505 WeakPolarHBondContact O-CG 3.16Å |
| 502 | K | 82.2 | Confident | 77.8 | Confident | 159 Ų | 159 | 118.8 Ų | 118.8 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -91.2 | -40.2 | 177.4 | -79 | -167.4 | 171.5 | -170.9 | 0 | 113.8 | I498 T499 P505 | I498-K502 HydrophobicContact CG2-CD 4.49Å; I498-K502 PolarHBondContact O-N 3.45Å; T499-K502 PolarHBondContact O-N 3.37Å; K502-P505 WeakPolarHBondContact O-CD 3.42Å |
| 503 | C | 76.1 | Confident | 76.2 | Confident | 104 Ų | 104 | 125.8 Ų | 125.8 | 70% | 0.703 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -86 | -28.7 | -174 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | T499 | T499-C503 WeakPolarHBondContact O-CB 3.33Å; T499-C503 PolarHBondContact O-N 3.48Å |
| 504 | W | 69.8 | Low | 74.6 | Confident | 156 Ų | 156 | 128.8 Ų | 128.8 | 59% | 0.591 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -85.8 | -27.8 | -174.2 | -146.5 | -72.3 | 0 | 0 | 0 | 117.9 | R500 K506 L507 | R500-W504 WeakPolarHBondContact O-CB 3.03Å; W504-K506 VanDerWaalsContact C-N 3.34Å; W504-K506 PolarHBondContact O-N 2.73Å; W504-L507 PolarHBondContact O-N 3.38Å |
| 505 | P | 68.2 | Low | 73.2 | Confident | 72 Ų | 72 | 137.6 Ų | 137.6 | 47% | 0.468 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.4 | -19.5 | -160.6 | 28.8 | -36.9 | 0 | 0 | 0 | 115.5 | H501 K502 | H501-P505 WeakPolarHBondContact O-CD 3.39Å; H501-P505 WeakPolarHBondContact O-CG 3.16Å; K502-P505 WeakPolarHBondContact O-CD 3.42Å |
| 506 | K | 65.9 | Low | 71.6 | Confident | 189 Ų | 189 | 142.7 Ų | 142.7 | 82% | 0.822 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -35.3 | 177.4 | -86.5 | -171.3 | 170.8 | -174.3 | 0 | 114.2 | W504 K508 | W504-K506 VanDerWaalsContact C-N 3.34Å; W504-K506 PolarHBondContact O-N 2.73Å; K506-K508 VanDerWaalsContact C-N 3.3Å; K506-K508 PolarHBondContact O-N 3.26Å |
| 507 | L | 63.4 | Low | 69.9 | Low | 152 Ų | 152 | 146.6 Ų | 146.6 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -23.5 | -172 | -154.7 | 71.6 | 0 | 0 | 0 | 113.6 | W504 | W504-L507 PolarHBondContact O-N 3.38Š|
| 508 | K | 62 | Low | 68.3 | Low | 142 Ų | 142 | 148.2 Ų | 148.2 | 62% | 0.617 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -2.8 | -178.2 | -109.7 | -164.9 | -177 | -171.8 | 0 | 116.3 | K506 | K506-K508 VanDerWaalsContact C-N 3.3Å; K506-K508 PolarHBondContact O-N 3.26Å |
| 509 | R | 60.9 | Low | 66.8 | Low | 208 Ų | 208 | 155.1 Ų | 155.1 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -93.4 | -20.9 | -176.4 | -76.8 | -167.3 | -171.5 | 167.8 | 4.7 | 116.2 | ||
| 510 | H | 61.8 | Low | 65.1 | Low | 167 Ų | 167 | 160.8 Ų | 160.8 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -100.9 | -21.5 | -174.1 | -84.2 | -81.8 | 0 | 0 | 0 | 116.1 | ||
| 511 | N | 58.9 | Low | 63.4 | Low | 144 Ų | 144 | 162.4 Ų | 162.4 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -108.5 | 14.3 | -174.2 | -82.5 | 11.8 | 0 | 0 | 0 | 116 | ||
| 512 | F | 57.3 | Low | 61.9 | Low | 142 Ų | 142 | 165.8 Ų | 165.8 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -118.6 | 0.9 | -179.9 | -125.5 | -95 | 0 | 0 | 0 | 115.8 | H516 | F512-H516 AromaticContact CE1-CD2 3.74Š|
| 513 | Y | 58.2 | Low | 60.5 | Low | 208 Ų | 208 | 166 Ų | 166 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -92.2 | -18.5 | 178.3 | -105.9 | -85 | 0 | 0 | 0 | 114.8 | ||
| 514 | N | 59.6 | Low | 59.1 | Low | 165 Ų | 165 | 171.3 Ų | 171.3 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -106.2 | 0.2 | -175.4 | -87.8 | 5.7 | 0 | 0 | 0 | 116.1 | ||
| 515 | F | 58.8 | Low | 58.3 | Low | 193 Ų | 193 | 171.7 Ų | 171.7 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -113.3 | -3.7 | -175.6 | -144.5 | -96.6 | 0 | 0 | 0 | 115.4 | ||
| 516 | H | 56.3 | Low | 57.8 | Low | 141 Ų | 141 | 176.4 Ų | 176.4 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -105.1 | 0.8 | -170.1 | -127.1 | -64.2 | 0 | 0 | 0 | 116 | F512 | F512-H516 AromaticContact CE1-CD2 3.74Š|
| 517 | H | 57.4 | Low | 57.1 | Low | 186 Ų | 186 | 174.8 Ų | 174.8 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -94.1 | -0.8 | -169.9 | -128.5 | -59.9 | 0 | 0 | 0 | 116.1 | ||
| 518 | H | 58.1 | Low | 56.3 | Low | 183 Ų | 183 | 173.6 Ų | 173.6 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -121.4 | 0.5 | -164.7 | -123.3 | -34.4 | 0 | 0 | 0 | 118.4 | ||
| 519 | H | 58 | Low | 55.9 | Low | 175 Ų | 175 | 175.2 Ų | 175.2 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -130.9 | 11 | -160.4 | -123.8 | -65 | 0 | 0 | 0 | 120.7 | ||
| 520 | H | 54 | Low | 55.3 | Low | 183 Ų | 183 | 172.1 Ų | 172.1 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | -121.4 | 29.5 | -174.2 | -110.9 | -61.9 | 0 | 0 | 0 | 117.8 | ||||
| 521 | H | 57.9 | Low | 54.8 | Low | 196 Ų | 196 | 173 Ų | 173 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -97.3 | 13 | -179.2 | -130.9 | -58.7 | 0 | 0 | 0 | 116.2 | ||||
| 522 | R | 54 | Low | 54.2 | Low | 217 Ų | 217 | 172.7 Ų | 172.7 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | trans | -125.3 | 136.8 | -171.4 | -123.7 | -178 | -178.2 | 172.4 | 0.2 | 114.4 | ||||
| 523 | H | 53.2 | Low | 53.8 | Low | 164 Ų | 164 | 177.1 Ų | 177.1 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | 73.7 | 84.1 | 169.1 | -61.1 | -70.8 | 0 | 0 | 0 | 119.6 | ||||
| 524 | R | 47.5 | Very low | 53.2 | Low | 215 Ų | 215 | 173.5 Ų | 173.5 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -75 | 167.5 | 137.1 | -72.9 | -179.9 | 170.7 | 171.2 | -2.4 | 110.4 | ||||
| 525 | H | 52 | Low | 52.6 | Low | 163 Ų | 163 | 176.8 Ų | 176.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 74.7 | 107.5 | 164.2 | -62.1 | -78.9 | 0 | 0 | 0 | 119.2 | ||||
| 526 | L | 59.6 | Low | 52 | Low | 171 Ų | 171 | 174.7 Ų | 174.7 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | 169 | 93.4 | 138.5 | -102.4 | 135.6 | 0 | 0 | 0 | 106.1 | ||||
| 527 | H | 50.2 | Low | 51.4 | Low | 156 Ų | 156 | 172.6 Ų | 172.6 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 62.2 | 117.3 | 73.8 | -126.5 | -73.3 | 0 | 0 | 0 | 114.8 | |||||
| 528 | N | 46.3 | Very low | 51 | Low | 127 Ų | 127 | 174.6 Ų | 174.6 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | trans | 30 | 126.3 | 161.9 | -62.4 | -5.4 | 0 | 0 | 0 | 120.7 | ||||
| 529 | H | 54.4 | Low | 50.5 | Low | 176 Ų | 176 | 173.3 Ų | 173.3 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | -165 | 161.1 | 108.9 | -113.1 | -81.6 | 0 | 0 | 0 | 114.2 | |||||
| 530 | H | 47.6 | Very low | 49.7 | Very low | 143 Ų | 143 | 173.4 Ų | 173.4 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | trans | -52.6 | 153.3 | 179.8 | -68.6 | -68 | 0 | 0 | 0 | 116.4 | ||||
| 531 | H | 51.6 | Low | 49.3 | Very low | 184 Ų | 184 | 170 Ų | 170 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | -167 | 148 | 97.9 | -108.3 | -83.2 | 0 | 0 | 0 | 115.2 | |||||
| 532 | H | 45.5 | Very low | 48.5 | Very low | 138 Ų | 138 | 166 Ų | 166 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | trans | -65.8 | 157 | 176.1 | -85.2 | -117.2 | 0 | 0 | 0 | 113.7 | ||||
| 533 | Y | 50.6 | Low | 48.2 | Very low | 235 Ų | 235 | 160.3 Ų | 160.3 | 92% | 0.922 | 76% | 0.761 | S | S | * | * | -157.4 | 150.3 | 118.5 | -120.4 | -82.4 | 0 | 0 | 0 | 113.7 | |||||
| 534 | H | 45.3 | Very low | 47.8 | Very low | 132 Ų | 132 | 161 Ų | 161 | 61% | 0.611 | 76% | 0.764 | S | S | * | * | trans | -82 | 150.2 | -168.5 | -95.8 | -124.4 | 0 | 0 | 0 | 116.1 | ||||
| 535 | R | 45.8 | Very low | 47.7 | Very low | 234 Ų | 234 | 155.8 Ų | 155.8 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | -174.3 | 124.6 | 109.8 | -104.8 | 177.4 | 173.3 | -176.4 | -1.5 | 115.1 | |||||
| 536 | H | 46.3 | Very low | 47.5 | Very low | 149 Ų | 149 | 156.6 Ų | 156.6 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | trans | 14.6 | 150.3 | 136.2 | -65.2 | -86.6 | 0 | 0 | 0 | 120.8 | ||||
| 537 | C | 43.6 | Very low | 46.7 | Very low | 98 Ų | 98 | 155 Ų | 155 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -173.7 | 139.3 | -13.5 | -114.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 538 | Y | 49.1 | Very low | 46.3 | Very low | 228 Ų | 228 | 154.1 Ų | 154.1 | 89% | 0.894 | 75% | 0.749 | S | S | * | * | 172.4 | 130.8 | 123.3 | -106.5 | -81.4 | 0 | 0 | 0 | 112.3 | |||||
| 539 | Q | 47.8 | Very low | 46.1 | Very low | 156 Ų | 156 | 156 Ų | 156 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | trans | -72 | 176 | 173.4 | -68.3 | 158.4 | -57.5 | 0 | 0 | 111.2 | ||||
| 540 | K | 42.5 | Very low | 45.5 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | cis | -163.2 | 147.5 | 5.4 | -130.4 | 161 | 178.6 | 179.5 | 0 | 104.8 | ||||
| 541 | C | 44.1 | Very low | 45.1 | Very low | 112 Ų | 112 | 154 Ų | 154 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | -169.4 | 139.8 | 69.2 | -81.1 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 542 | S | 42.9 | Very low | 44.6 | Very low | 112 Ų | 112 | 154.4 Ų | 154.4 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | 57.2 | 121.6 | 76 | -156.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 543 | S | 46.9 | Very low | 44.1 | Very low | 98 Ų | 98 | 152 Ų | 152 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -159.2 | 177.7 | 27.3 | 52.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 544 | H | 44.2 | Very low | 43.8 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | 85.3 | 113.3 | 165.2 | -85.6 | -73.3 | 0 | 0 | 0 | 122.7 | ||||
| 545 | P | 45 | Very low | 43.6 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | trans | -118.8 | 156.2 | 166.8 | 40.4 | -29.8 | 0 | 0 | 0 | 114.5 | ||||
| 546 | H | 48.1 | Very low | 43.3 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | trans | 166.3 | 153.7 | 156.1 | -98.6 | -68.4 | 0 | 0 | 0 | 107.2 | ||||
| 547 | L | 42.7 | Very low | 43 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | cis | -148.9 | 154.7 | 2.7 | -158.8 | 136.7 | 0 | 0 | 0 | 110.9 | ||||
| 548 | Q | 41.5 | Very low | 42.7 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | trans | -32.6 | 154.6 | 179.7 | -63.5 | 177.8 | 2.2 | 0 | 0 | 123.5 | ||||
| 549 | K | 42.5 | Very low | 42 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | 54 | 135.2 | 133.8 | -65 | 168.7 | -176.2 | 169.3 | 0 | 119.3 | ||||
| 550 | L | 41.3 | Very low | 41.6 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | -160.1 | 166 | 61.4 | -120.2 | 119.1 | 0 | 0 | 0 | 114 | |||||
| 551 | T | 40.1 | Very low | 41.2 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | trans | -111.6 | 174.7 | -171.4 | 45.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 552 | K | 40.6 | Very low | 41.1 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | 96.3 | 154 | 164.1 | -59.4 | 177 | 179.4 | -178.6 | 0 | 116.1 | ||||
| 553 | S | 35.9 | Very low | 40.6 | Very low | 88 Ų | 88 | 151.2 Ų | 151.2 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | cis | -173.1 | -178.4 | -26.8 | 56.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 554 | H | 44.6 | Very low | 40 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 71.8 | 127.1 | 178.8 | -65.4 | -82 | 0 | 0 | 0 | 116.7 | ||||
| 555 | Q | 40.9 | Very low | 39.8 | Very low | 155 Ų | 155 | 151.9 Ų | 151.9 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | cis | 101.6 | 119.3 | 12.7 | -161.2 | -176.1 | 13.5 | 0 | 0 | 115.9 | ||||
| 556 | N | 38 | Very low | 39.6 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | trans | 82.9 | 136.1 | 153.9 | -86.7 | 18.4 | 0 | 0 | 0 | 123.9 | ||||
| 557 | E | 40.8 | Very low | 39.3 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 111.9 | 149.4 | 131.5 | -90.8 | 169.7 | 170.3 | 0 | 0 | 123.9 | ||||
| 558 | Q | 37.1 | Very low | 39.3 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -97.1 | 157.9 | -146.8 | -60.9 | 175.6 | -3.9 | 0 | 0 | 114.4 | ||||
| 559 | K | 35 | Very low | 39.4 | Very low | 183 Ų | 183 | 150 Ų | 150 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 12.7 | 122.3 | 143.4 | -78.5 | -177.8 | 160.6 | -168.6 | 0 | 119.2 | ||||
| 560 | N | 39.6 | Very low | 39.8 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | -178.4 | 123.8 | 109.5 | -84.4 | -26 | 0 | 0 | 0 | 108.1 | |||||
| 561 | I | 33.7 | Very low | 39.9 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | 31.2 | 105.3 | 103.4 | -42.9 | -179.7 | 0 | 0 | 0 | 114.6 | |||||
| 562 | I | 41.9 | Very low | 40.1 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | -178.1 | 158.2 | 126.8 | -91.8 | 158.5 | 0 | 0 | 0 | 109.2 | |||||
| 563 | E | 32.6 | Very low | 40.1 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -80.1 | 174.1 | -168.3 | -59.9 | 174.2 | 116.8 | 0 | 0 | 116.4 | ||||
| 564 | L | 34.5 | Very low | 40.4 | Very low | 144 Ų | 144 | 142 Ų | 142 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 104.5 | 127.9 | 147.6 | -71.8 | 156.7 | 0 | 0 | 0 | 121.2 | ||||
| 565 | N | 40.2 | Very low | 40.2 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | 83.6 | 113 | 150.1 | -60.4 | -17.7 | 0 | 0 | 0 | 121.8 | ||||
| 566 | M | 39.3 | Very low | 40.1 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -84.1 | -179.2 | 156.6 | -61.4 | -175.6 | 173.3 | 0 | 0 | 111 | ||||
| 567 | P | 42.6 | Very low | 40 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | -146.3 | 154.2 | 89.4 | 37.9 | -21.4 | 0 | 0 | 0 | 117.6 | |||||
| 568 | S | 41.6 | Very low | 39.8 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | 33.4 | 142.1 | 145.5 | 68 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 569 | S | 44.8 | Very low | 39.8 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | -172.7 | 158.4 | 55.2 | 45.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 570 | G | 49.7 | Very low | 39.7 | Very low | 77 Ų | 77 | 144.1 Ų | 144.1 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 145.7 | 98.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 571 | S | 44.7 | Very low | 39.5 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -33.2 | 131.4 | 172.8 | 45.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 572 | L | 43.1 | Very low | 39.6 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | 77.8 | 149.2 | 65.1 | -76.2 | 170.9 | 0 | 0 | 0 | 115.3 | |||||
| 573 | P | 40.9 | Very low | 39.5 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -139.5 | 165.6 | -14.9 | 38.9 | -21.2 | 0 | 0 | 0 | 117.6 | ||||
| 574 | A | 42.5 | Very low | 39.7 | Very low | 100 Ų | 100 | 150.6 Ų | 150.6 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 54.3 | 147 | 152.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 575 | E | 40.3 | Very low | 40.2 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | cis | -152.7 | 172.1 | 31.1 | -158.7 | -179.4 | 149.4 | 0 | 0 | 112.6 | ||||
| 576 | Y | 38.8 | Very low | 40.2 | Very low | 202 Ų | 202 | 148.4 Ų | 148.4 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | 77 | 105.1 | 176.6 | -64.5 | -81.1 | 0 | 0 | 0 | 119.6 | ||||
| 577 | R | 36.4 | Very low | 40.4 | Very low | 247 Ų | 247 | 142.8 Ų | 142.8 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -100.5 | 143.3 | 166.2 | -86.5 | -179.2 | 169.4 | 172.5 | -2.8 | 111.8 | ||||
| 578 | L | 36.2 | Very low | 40.6 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | 6.7 | 150.1 | 149.9 | -118.4 | 76 | 0 | 0 | 0 | 121 | ||||
| 579 | P | 37.4 | Very low | 40.6 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | -139.1 | 168.3 | 90.8 | 39.4 | -27.9 | 0 | 0 | 0 | 117.1 | |||||
| 580 | H | 32.8 | Very low | 40.4 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -44.6 | 142.9 | 175.7 | -65.4 | -105 | 0 | 0 | 0 | 115.7 | ||||
| 581 | H | 36.6 | Very low | 40.1 | Very low | 186 Ų | 186 | 157.7 Ų | 157.7 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -140.8 | 134.3 | 154.6 | -102.1 | -79.8 | 0 | 0 | 0 | 113.4 | ||||
| 582 | H | 35.3 | Very low | 39.9 | Very low | 178 Ų | 178 | 162.5 Ų | 162.5 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -60.6 | 130.9 | 172.2 | -91.4 | -93.6 | 0 | 0 | 0 | 112 | ||||
| 583 | Y | 39 | Very low | 39.7 | Very low | 235 Ų | 235 | 165 Ų | 165 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | trans | -88.2 | 110.2 | 154.7 | -101 | -91 | 0 | 0 | 0 | 109.8 | ||||
| 584 | K | 37.6 | Very low | 39.9 | Very low | 175 Ų | 175 | 166.7 Ų | 166.7 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | -113.3 | 152.1 | 166.5 | -130.5 | 176.5 | -177.6 | 177.8 | 0 | 107.6 | ||||
| 585 | D | 44.8 | Very low | 40 | Very low | 155 Ų | 155 | 167.7 Ų | 167.7 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | 65 | 79.4 | 179.3 | -61.4 | -13 | 0 | 0 | 0 | 116.5 | G587 | D585-G587 PolarHBondContact O-N 3.33Š| ||
| 586 | G | 39.7 | Very low | 40.6 | Very low | 89 Ų | 89 | 167 Ų | 167 | 92% | 0.918 | 80% | 0.8 | S | S | * | * | trans | -72.1 | 110 | 166 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 587 | G | 44.7 | Very low | 41.2 | Very low | 60 Ų | 60 | 164.6 Ų | 164.6 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | trans | -96.6 | 113.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D585 Y589 | D585-G587 PolarHBondContact O-N 3.33Å; G587-Y589 PolarHBondContact O-N 3.42Å | ||
| 588 | E | 45.9 | Very low | 41.4 | Very low | 154 Ų | 154 | 162.1 Ų | 162.1 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -69.4 | 114.7 | 176.1 | -67.5 | -173.2 | 163.5 | 0 | 0 | 111.2 | ||||
| 589 | Y | 40.9 | Very low | 42.1 | Very low | 227 Ų | 227 | 161.2 Ų | 161.2 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -92.9 | 119.7 | 165.8 | -78.6 | -91.8 | 0 | 0 | 0 | 110 | G587 Q591 | G587-Y589 PolarHBondContact O-N 3.42Å; Y589-Q591 PolarHBondContact O-N 3.38Å | ||
| 590 | Y | 40.9 | Very low | 42.9 | Very low | 189 Ų | 189 | 161.9 Ų | 161.9 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -72.3 | 97.4 | 170.8 | -69.1 | -73.9 | 0 | 0 | 0 | 110.8 | Y592 | Y590-Y592 PolarHBondContact O-N 3.44Š| ||
| 591 | Q | 44 | Very low | 43.3 | Very low | 162 Ų | 162 | 161.7 Ų | 161.7 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | trans | -81.9 | 100.9 | 169.5 | -171.7 | 176.9 | 11.1 | 0 | 0 | 110 | Y589 R593 | Y589-Q591 PolarHBondContact O-N 3.38Å; Q591-R593 PolarHBondContact O-N 3.48Å | ||
| 592 | Y | 39.4 | Very low | 44 | Very low | 209 Ų | 209 | 161.4 Ų | 161.4 | 82% | 0.82 | 81% | 0.808 | S | S | * | * | trans | -72.5 | 110.7 | 167.1 | -76.6 | -94.4 | 0 | 0 | 0 | 109.3 | Y590 | Y590-Y592 PolarHBondContact O-N 3.44Š| ||
| 593 | R | 39.7 | Very low | 44.3 | Very low | 217 Ų | 217 | 161.7 Ų | 161.7 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 118.3 | 160.7 | -73.3 | -169.4 | -173.9 | -166.6 | 2.7 | 108.4 | Q591 | Q591-R593 PolarHBondContact O-N 3.48Š|
| 594 | I | 45.1 | Very low | 45 | Very low | 143 Ų | 143 | 159.4 Ų | 159.4 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 125.6 | 160.6 | -60 | 170.7 | 0 | 0 | 0 | 105.8 | V596 | I594-V596 PolarHBondContact O-N 3.37Š|
| 595 | P | 44.2 | Very low | 45.7 | Very low | 121 Ų | 121 | 158 Ų | 158 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 129.7 | 169.2 | 29.3 | -31.7 | 0 | 0 | 0 | 108.9 | ||
| 596 | V | 53.8 | Low | 46.3 | Very low | 133 Ų | 133 | 156.2 Ų | 156.2 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | trans | -114.3 | 136.9 | 167.5 | -179.4 | 0 | 0 | 0 | 0 | 106.4 | I594 | I594-V596 PolarHBondContact O-N 3.37Š| ||
| 597 | D | 51.6 | Low | 47.2 | Very low | 153 Ų | 153 | 161.1 Ų | 161.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -64.4 | 155.6 | -168.4 | -66.2 | -59.7 | 0 | 0 | 0 | 114.4 | V599 | D597-V599 PolarHBondContact O-N 3.08Š| ||
| 598 | M | 40.6 | Very low | 47.6 | Very low | 194 Ų | 194 | 168.2 Ų | 168.2 | 96% | 0.956 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -75.7 | 79.6 | -171.6 | -72.1 | -173.3 | 154.6 | 0 | 0 | 113.6 | ||
| 599 | V | 49.8 | Very low | 48.5 | Very low | 124 Ų | 124 | 170.4 Ų | 170.4 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -141.1 | 130.2 | 156.4 | -163.1 | 0 | 0 | 0 | 0 | 110.4 | D597 | D597-V599 PolarHBondContact O-N 3.08Š| ||
| 600 | T | 55 | Low | 49.4 | Very low | 131 Ų | 131 | 168.7 Ų | 168.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 76.7 | 118.5 | -178.6 | 73.7 | 0 | 0 | 0 | 0 | 118.3 | Q602 | T600-Q602 PolarHBondContact O-N 2.73Š| ||
| 601 | N | 40.6 | Very low | 50.4 | Low | 161 Ų | 161 | 165.1 Ų | 165.1 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -82 | 81.4 | 174.4 | -88.4 | -34.1 | 0 | 0 | 0 | 111.9 | ||||
| 602 | Q | 52.3 | Low | 51.4 | Low | 179 Ų | 179 | 161.4 Ų | 161.4 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -140.8 | 109.5 | 161.8 | -72.8 | -161.8 | -1.8 | 0 | 0 | 112.7 | T600 K604 | T600-Q602 PolarHBondContact O-N 2.73Å; Q602-K604 PolarHBondContact O-N 3.07Å | ||
| 603 | H | 40.9 | Very low | 52.6 | Low | 185 Ų | 185 | 157.3 Ų | 157.3 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -84.6 | 90.1 | 175.7 | -79.3 | 67.2 | 0 | 0 | 0 | 111.5 | I605 | H603-I605 PolarHBondContact O-N 3.15Š| ||
| 604 | K | 53.4 | Low | 53.6 | Low | 187 Ų | 187 | 154.1 Ų | 154.1 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -83.8 | 104.5 | 174.1 | -166.5 | 170 | -174 | 172.1 | 0 | 111.4 | Q602 I606 | Q602-K604 PolarHBondContact O-N 3.07Å; K604-I606 PolarHBondContact O-N 3.19Å; K604-I606 VanDerWaalsContact O-N 3.12Å | ||
| 605 | I | 52.9 | Low | 54.5 | Low | 146 Ų | 146 | 152.8 Ų | 152.8 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -72.8 | 101.9 | 176.8 | -57.4 | 174.9 | 0 | 0 | 0 | 110.1 | H603 K607 | H603-I605 PolarHBondContact O-N 3.15Å; I605-K607 HydrophobicContact CG2-CG 4.29Å; I605-K607 PolarHBondContact O-N 3.34Å | ||
| 606 | I | 57.1 | Low | 54.8 | Low | 116 Ų | 116 | 155.9 Ų | 155.9 | 60% | 0.595 | 80% | 0.799 | S | S | * | * | trans | -84.9 | 100.5 | 172.1 | -58.1 | 178.3 | 0 | 0 | 0 | 109.3 | K604 Y608 | K604-I606 PolarHBondContact O-N 3.19Å; K604-I606 VanDerWaalsContact O-N 3.12Å; I606-Y608 HydrophobicContact CG2-CD2 4.27Å; I606-Y608 HydrophobicContact CG2-CE2 3.9Å; I606-Y608 PolarHBondContact O-N 3.44Å | ||
| 607 | K | 59.1 | Low | 54.5 | Low | 192 Ų | 192 | 156.9 Ų | 156.9 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -76 | 105 | 170.7 | -71.7 | -177.8 | 179.6 | 175.9 | 0 | 110 | I605 K609 | I605-K607 HydrophobicContact CG2-CG 4.29Å; I605-K607 PolarHBondContact O-N 3.34Å; K607-K609 PolarHBondContact O-N 3.3Å; K607-K609 VanDerWaalsContact O-N 3.15Å | ||
| 608 | Y | 52.4 | Low | 54.6 | Low | 210 Ų | 210 | 156.8 Ų | 156.8 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -71.5 | 105 | 168.3 | -72.7 | -84.5 | 0 | 0 | 0 | 110.4 | I606 K610 | I606-Y608 HydrophobicContact CG2-CD2 4.27Å; I606-Y608 HydrophobicContact CG2-CE2 3.9Å; I606-Y608 PolarHBondContact O-N 3.44Å; Y608-K610 PolarHBondContact O-N 2.97Å | ||
| 609 | K | 64 | Low | 55.2 | Low | 199 Ų | 199 | 152.2 Ų | 152.2 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 119.7 | 169.4 | -169.3 | 174.5 | -176.9 | 178.6 | 0 | 108.2 | K607 | K607-K609 PolarHBondContact O-N 3.3Å; K607-K609 VanDerWaalsContact O-N 3.15Å |
| 610 | K | 60.6 | Low | 54.9 | Low | 192 Ų | 192 | 155.7 Ų | 155.7 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 127.7 | 173.2 | -175.3 | 179.1 | -179.6 | -179.3 | 0 | 108.4 | Y608 A612 | Y608-K610 PolarHBondContact O-N 2.97Å; K610-A612 PolarHBondContact O-N 3.48Å |
| 611 | P | 63.1 | Low | 54.5 | Low | 113 Ų | 113 | 157.5 Ų | 157.5 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 134.8 | 177.9 | 24 | -32.8 | 0 | 0 | 0 | 109.2 | ||
| 612 | A | 64.8 | Low | 54.9 | Low | 85 Ų | 85 | 156 Ų | 156 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 142.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | K610 L614 | K610-A612 PolarHBondContact O-N 3.48Å; A612-L614 PolarHBondContact O-N 3.06Å |
| 613 | P | 63.9 | Low | 54.5 | Low | 122 Ų | 122 | 157.3 Ų | 157.3 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 127.3 | 172.5 | 25.8 | -32.7 | 0 | 0 | 0 | 109.2 | ||
| 614 | L | 60.9 | Low | 54.9 | Low | 150 Ų | 150 | 157.9 Ų | 157.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 132.1 | 174.5 | -83.7 | 156.7 | 0 | 0 | 0 | 109.8 | A612 F616 | A612-L614 PolarHBondContact O-N 3.06Å; L614-F616 PolarHBondContact O-N 3.3Å |
| 615 | P | 64.2 | Low | 54.5 | Low | 116 Ų | 116 | 158.9 Ų | 158.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -69 | 106.6 | 174.7 | 27.9 | -32.6 | 0 | 0 | 0 | 109.3 | N617 | P615-N617 VanDerWaalsContact C-N 3.26Å; P615-N617 PolarHBondContact O-N 3.48Å | ||
| 616 | F | 49.3 | Very low | 54.5 | Low | 185 Ų | 185 | 162 Ų | 162 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -70.7 | 86.9 | 168.2 | -99.8 | -84.8 | 0 | 0 | 0 | 109.4 | L614 L618 | L614-F616 PolarHBondContact O-N 3.3Å; F616-L618 HydrophobicContact CD1-CD1 4.46Å; F616-L618 PolarHBondContact O-N 3.44Å | ||
| 617 | N | 48.7 | Very low | 53.9 | Low | 154 Ų | 154 | 165.9 Ų | 165.9 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -77.8 | 85.8 | 176.1 | -155.5 | -6.7 | 0 | 0 | 0 | 109.1 | P615 S619 | P615-N617 VanDerWaalsContact C-N 3.26Å; P615-N617 PolarHBondContact O-N 3.48Å; N617-S619 VanDerWaalsContact C-N 3.33Å; N617-S619 PolarHBondContact O-N 3.09Å | ||
| 618 | L | 53.5 | Low | 53.4 | Low | 152 Ų | 152 | 162 Ų | 162 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | trans | -76.2 | 85.1 | 178.4 | -117.3 | 111 | 0 | 0 | 0 | 110.1 | F616 K620 | F616-L618 HydrophobicContact CD1-CD1 4.46Å; F616-L618 PolarHBondContact O-N 3.44Å; L618-K620 PolarHBondContact O-N 3.39Å | ||
| 619 | S | 51.8 | Low | 53.1 | Low | 98 Ų | 98 | 158.2 Ų | 158.2 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | trans | -58.5 | 128.4 | 172 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | N617 H621 | N617-S619 VanDerWaalsContact C-N 3.33Å; N617-S619 PolarHBondContact O-N 3.09Å; S619-H621 PolarHBondContact O-N 3.49Å | ||
| 620 | K | 44 | Very low | 52.4 | Low | 197 Ų | 197 | 156.8 Ų | 156.8 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -63.4 | 124.3 | 168.3 | -74.7 | 172.5 | 173.9 | 171.9 | 0 | 109.1 | L618 | L618-K620 PolarHBondContact O-N 3.39Š| ||
| 621 | H | 46.1 | Very low | 51.4 | Low | 168 Ų | 168 | 152.6 Ų | 152.6 | 78% | 0.778 | 81% | 0.806 | S | S | * | * | trans | -142.1 | 110.1 | 158.3 | -126.5 | -95 | 0 | 0 | 0 | 113.7 | S619 | S619-H621 PolarHBondContact O-N 3.49Š| ||
| 622 | N | 50.2 | Low | 50.4 | Low | 131 Ų | 131 | 155.4 Ų | 155.4 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | 17.8 | 117.7 | 152.3 | -64 | -27.8 | 0 | 0 | 0 | 121.3 | ||||
| 623 | K | 43.6 | Very low | 49.4 | Very low | 206 Ų | 206 | 156.7 Ų | 156.7 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | 10.8 | 115.7 | 129.8 | -65.1 | 173.3 | 177.8 | 172 | 0 | 116.7 | |||||
| 624 | M | 50 | Low | 48.5 | Very low | 196 Ų | 196 | 160.1 Ų | 160.1 | 97% | 0.966 | 82% | 0.823 | S | S | * | * | trans | -132.9 | 132 | 140.5 | -98.3 | -162.5 | 171.7 | 0 | 0 | 110.8 | ||||
| 625 | K | 45.2 | Very low | 47.4 | Very low | 208 Ų | 208 | 160.7 Ų | 160.7 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -83.2 | 139.7 | 174.5 | -64.4 | 170.3 | 175.7 | 173.8 | 0 | 109.1 | ||||
| 626 | K | 51 | Low | 46.2 | Very low | 213 Ų | 213 | 161.3 Ų | 161.3 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | -141.8 | 136.5 | 149.1 | -110.2 | 178 | 179.9 | -179.2 | 0 | 109.9 | ||||
| 627 | K | 45.3 | Very low | 45.5 | Very low | 196 Ų | 196 | 162.1 Ų | 162.1 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | trans | -100 | 141.2 | -175.6 | -68.9 | 176.3 | 172.7 | -178.8 | 0 | 110.5 | ||||
| 628 | S | 47.8 | Very low | 44.9 | Very low | 112 Ų | 112 | 161.8 Ų | 161.8 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -172.4 | 90.7 | 155.8 | 51.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 629 | V | 46.7 | Very low | 43.9 | Very low | 129 Ų | 129 | 159 Ų | 159 | 78% | 0.782 | 82% | 0.821 | S | S | * | * | 52.2 | 78.7 | 70.7 | -167.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 630 | I | 49.4 | Very low | 42.9 | Very low | 169 Ų | 169 | 166.3 Ų | 166.3 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | trans | -132.4 | 129.7 | 142.8 | -63.5 | -176.3 | 0 | 0 | 0 | 105.9 | ||||
| 631 | S | 39.2 | Very low | 42.5 | Very low | 104 Ų | 104 | 161.8 Ų | 161.8 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -109.1 | 132.8 | -175.4 | 49.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 632 | L | 42.6 | Very low | 41.9 | Very low | 173 Ų | 173 | 159 Ų | 159 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -151.7 | 139.5 | 153.6 | -99.7 | 168.8 | 0 | 0 | 0 | 108.2 | ||||
| 633 | P | 43.7 | Very low | 41.6 | Very low | 112 Ų | 112 | 159 Ų | 159 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | trans | -101.5 | 149.5 | -168.5 | 37.5 | -32.9 | 0 | 0 | 0 | 113.6 | ||||
| 634 | M | 45 | Very low | 41 | Very low | 193 Ų | 193 | 154.4 Ų | 154.4 | 95% | 0.951 | 83% | 0.828 | S | S | * | * | trans | -161.1 | 130.5 | 135.6 | -112.2 | -177.9 | -174.7 | 0 | 0 | 111.2 | ||||
| 635 | N | 38.4 | Very low | 40.4 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -85.5 | 120.9 | 177.7 | -83.7 | -45.4 | 0 | 0 | 0 | 110.8 | ||||
| 636 | V | 37.7 | Very low | 40.1 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | trans | -138.9 | 118.8 | 146.2 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | I638 | V636-I638 HydrophobicContact CG1-CD1 4.35Å; V636-I638 HydrophobicContact CG1-CG1 4.04Å | ||
| 637 | K | 34.8 | Very low | 39.6 | Very low | 201 Ų | 201 | 143.3 Ų | 143.3 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -108.6 | 98.5 | -177.7 | -173.6 | -176.7 | -175.8 | -175.6 | 0 | 108.2 | ||||
| 638 | I | 37.1 | Very low | 39.7 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -97.9 | 106.3 | 172.3 | -61.5 | 175.8 | 0 | 0 | 0 | 108.1 | V636 | V636-I638 HydrophobicContact CG1-CD1 4.35Å; V636-I638 HydrophobicContact CG1-CG1 4.04Å | ||
| 639 | S | 32.8 | Very low | 39.3 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | trans | -75.9 | 135.3 | 172.9 | 46.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 640 | W | 30.9 | Very low | 39.2 | Very low | 252 Ų | 252 | 145 Ų | 145 | 96% | 0.955 | 81% | 0.806 | S | S | * | * | trans | -77.8 | 125 | 161 | -73.5 | 73.4 | 0 | 0 | 0 | 108.9 | ||||
| 641 | S | 35.6 | Very low | 38.8 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -130.8 | 102.4 | 173.7 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 642 | S | 32.9 | Very low | 38.9 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -77 | 134.7 | 167.7 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 643 | P | 43.3 | Very low | 38.8 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | trans | -87.2 | 116.1 | 164.1 | 31.2 | -27.1 | 0 | 0 | 0 | 110 | ||||
| 644 | S | 32.1 | Very low | 38.8 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -104.9 | 109.7 | 165.4 | 54.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 645 | C | 37.3 | Very low | 38.8 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -166.4 | 147.5 | 166.5 | -87.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 646 | S | 38.8 | Very low | 39.5 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | -166.1 | 153.5 | -9 | 44.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 647 | D | 41.1 | Very low | 39.8 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -66.6 | 156.2 | -176.5 | -61.3 | -78.2 | 0 | 0 | 0 | 115.4 | ||||
| 648 | N | 46.6 | Very low | 40.5 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 178.2 | 94.6 | 149.6 | -89.3 | -24.3 | 0 | 0 | 0 | 108 | ||||
| 649 | S | 39.2 | Very low | 40.9 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | 78.9 | 92 | 68.9 | 78.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 650 | Y | 44.3 | Very low | 41.5 | Very low | 229 Ų | 229 | 143.2 Ų | 143.2 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -159.3 | 113.7 | 149.3 | -82.3 | -71.8 | 0 | 0 | 0 | 106.1 | ||||
| 651 | K | 41.3 | Very low | 42.3 | Very low | 191 Ų | 191 | 136.7 Ų | 136.7 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | 45.6 | 132 | 73.7 | -74.1 | -172 | 173.5 | 177 | 0 | 112.5 | |||||
| 652 | C | 40.5 | Very low | 43 | Very low | 113 Ų | 113 | 137 Ų | 137 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | cis | -166.6 | 178.1 | 5.7 | -105.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 653 | S | 41.2 | Very low | 43.7 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | cis | -174.9 | 163.3 | -14.3 | 47.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 654 | S | 44.5 | Very low | 44.4 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 62.2 | 151.6 | 155.7 | 57.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 655 | S | 44.4 | Very low | 45.5 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | cis | -164 | 177.6 | 1.3 | -109.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 656 | P | 53.1 | Low | 46.1 | Very low | 104 Ų | 104 | 135 Ų | 135 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | -124.4 | 169 | -156.8 | 43.7 | -33.6 | 0 | 0 | 0 | 119.6 | ||||
| 657 | K | 43.5 | Very low | 46.7 | Very low | 200 Ų | 200 | 134.2 Ų | 134.2 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | 58.8 | 122.4 | 146.7 | -74.9 | 172.7 | 179.8 | 175.7 | 0 | 122.6 | ||||
| 658 | K | 50.1 | Low | 47.5 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | trans | -176.6 | 124.4 | 131.9 | -97.3 | 162 | -176.9 | -178.8 | 0 | 107.1 | ||||
| 659 | K | 44.7 | Very low | 48.1 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | 75.5 | 140.1 | 57.4 | -105.3 | -165 | 178.9 | -170.9 | 0 | 115.5 | |||||
| 660 | C | 46 | Very low | 48.6 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | 78.7 | 145.7 | 173.6 | -70.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 661 | T | 48.5 | Very low | 48.8 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | cis | -175.7 | 157.3 | -31 | 14 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 662 | S | 49 | Very low | 49.2 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 60.4 | 153.2 | 156.5 | 46.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 663 | S | 48.8 | Very low | 49.7 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | cis | -171.9 | 174.8 | -11.2 | 46.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 664 | V | 57.3 | Low | 50.2 | Low | 142 Ų | 142 | 142.3 Ų | 142.3 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | 73.2 | 129.5 | 172.4 | -163.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 665 | G | 54.6 | Low | 50.6 | Low | 69 Ų | 69 | 144.6 Ų | 144.6 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | cis | 105.6 | 138.6 | 37.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 666 | C | 51.6 | Low | 51.1 | Low | 125 Ų | 125 | 146.8 Ų | 146.8 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | cis | -158.4 | 144.1 | 11.6 | -149.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 667 | S | 51.4 | Low | 50.9 | Low | 92 Ų | 92 | 150.1 Ų | 150.1 | 64% | 0.643 | 82% | 0.824 | S | S | * | * | 51.4 | 128 | 128.3 | -162.8 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 668 | K | 56.6 | Low | 51.5 | Low | 195 Ų | 195 | 145.9 Ų | 145.9 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | 68.4 | 102.4 | 150 | -70.8 | 170.4 | -177 | -178.1 | 0 | 120.1 | ||||
| 669 | K | 60 | Low | 51.7 | Low | 283 Ų | 283 | 140.3 Ų | 140.3 | 100% | 1.23 | 81% | 0.813 | S | S | * | * | -146.5 | 0 | 95.3 | -134.2 | 176.8 | -173.2 | 178.2 | 0 | 110.7 |
Retrieved 669 of 669 residues in 330.7 ms
(Link to these results)