| 1 | M | 61.1 | Low | 64.6 | Low | 213 Ų | 213 | 121.9 Ų | 121.9 | 100% | 1.049 | 63% | 0.63 | S | S | * | * | | | | 0 | 109.2 | 0 | -159.9 | 79.6 | 170.7 | 0 | 0 | 104.8 | | |
| 2 | D | 64.9 | Low | 64.1 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 67% | 0.668 | 63% | 0.633 | S | S | * | * | | | trans | -77.1 | 130.6 | -171.6 | -62.1 | -37.1 | 0 | 0 | 0 | 109.1 | V4 D5 | D2-V4 PolarHBondContact O-N 3.34Å; D2-D5 PolarHBondContact O-N 3.04Å; D2-D5 VanDerWaalsContact O-N 3.1Å |
| 3 | I | 65.3 | Low | 63.7 | Low | 123 Ų | 123 | 120.3 Ų | 120.3 | 63% | 0.631 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -19.9 | 180 | 61.1 | 171.1 | 0 | 0 | 0 | 112.8 | D5 T6 F7 | I3-D5 VanDerWaalsContact C-N 3.31Å; I3-D5 PolarHBondContact O-N 2.91Å; I3-T6 VanDerWaalsContact O-CB 3.26Å; I3-T6 WeakPolarHBondContact O-CB 3.26Å; I3-T6 PolarHBondContact O-N 3.25Å; I3-F7 HydrophobicContact CB-CE2 4.17Å; I3-F7 HydrophobicContact CD1-CE2 4.39Å; I3-F7 HydrophobicContact CG1-CE2 4.38Å; I3-F7 WeakPolarHBondContact O-CD2 3.42Å; I3-F7 WeakPolarHBondContact O-CE2 3.02Å |
| 4 | V | 65.8 | Low | 63.6 | Low | 93 Ų | 93 | 122.8 Ų | 122.8 | 56% | 0.564 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -60.5 | -38 | 179.2 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | D2 T6 F7 N8 | D2-V4 PolarHBondContact O-N 3.34Å; V4-T6 PolarHBondContact O-N 3.39Å; V4-F7 PolarHBondContact O-N 3.1Å; V4-N8 PolarHBondContact O-ND2 3.18Å |
| 5 | D | 67.6 | Low | 63.3 | Low | 98 Ų | 98 | 122.1 Ų | 122.1 | 52% | 0.524 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.6 | -21.9 | 176.5 | -92.3 | -13.3 | 0 | 0 | 0 | 112.7 | D2 I3 | D2-D5 PolarHBondContact O-N 3.04Å; D2-D5 VanDerWaalsContact O-N 3.1Å; I3-D5 VanDerWaalsContact C-N 3.31Å; I3-D5 PolarHBondContact O-N 2.91Å |
| 6 | T | 66.3 | Low | 63.1 | Low | 91 Ų | 91 | 122.3 Ų | 122.3 | 56% | 0.558 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.8 | -32.5 | 176.1 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | I3 V4 | I3-T6 VanDerWaalsContact O-CB 3.26Å; I3-T6 WeakPolarHBondContact O-CB 3.26Å; I3-T6 PolarHBondContact O-N 3.25Å; V4-T6 PolarHBondContact O-N 3.39Å |
| 7 | F | 63.1 | Low | 63 | Low | 118 Ų | 118 | 122.9 Ų | 122.9 | 52% | 0.518 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -83.3 | -20.4 | -177.7 | -65.1 | -76.1 | 0 | 0 | 0 | 114.2 | I3 V4 H9 L10 | I3-F7 HydrophobicContact CB-CE2 4.17Å; I3-F7 HydrophobicContact CD1-CE2 4.39Å; I3-F7 HydrophobicContact CG1-CE2 4.38Å; I3-F7 WeakPolarHBondContact O-CD2 3.42Å; I3-F7 WeakPolarHBondContact O-CE2 3.02Å; V4-F7 PolarHBondContact O-N 3.1Å; F7-H9 PolarHBondContact O-N 3.3Å; F7-L10 HydrophobicContact CD1-CD1 3.93Å; F7-L10 HydrophobicContact CE1-CD1 4.46Å; F7-L10 PolarHBondContact O-N 3.04Å |
| 8 | N | 63.8 | Low | 62.8 | Low | 91 Ų | 91 | 122 Ų | 122 | 49% | 0.487 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | -21.5 | 178.7 | -71.8 | -41.9 | 0 | 0 | 0 | 113.2 | V4 | V4-N8 PolarHBondContact O-ND2 3.18Š|
| 9 | H | 65 | Low | 62.7 | Low | 163 Ų | 163 | 118.9 Ų | 118.9 | 76% | 0.755 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -11 | 176.1 | -56.7 | -52.5 | 0 | 0 | 0 | 113.8 | F7 | F7-H9 PolarHBondContact O-N 3.3Š|
| 10 | L | 63.5 | Low | 62.6 | Low | 119 Ų | 119 | 119.4 Ų | 119.4 | 62% | 0.623 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -94.3 | -1.8 | -177.5 | -63.2 | 178.2 | 0 | 0 | 0 | 113 | F7 P12 | F7-L10 HydrophobicContact CD1-CD1 3.93Å; F7-L10 HydrophobicContact CE1-CD1 4.46Å; F7-L10 PolarHBondContact O-N 3.04Å; L10-P12 VanDerWaalsContact O-CD 3.24Å; L10-P12 WeakPolarHBondContact O-CD 3.24Å |
| 11 | I | 63.8 | Low | 62.2 | Low | 107 Ų | 107 | 121.9 Ų | 121.9 | 55% | 0.549 | 64% | 0.641 | S | S | . | * | | | trans | -95.6 | 101.6 | 173.4 | -48.7 | 179 | 0 | 0 | 0 | 106.8 | T13 | I11-T13 HydrophobicContact CG2-CG2 3.85Å; I11-T13 PolarHBondContact O-N 3.49Å; I11-T13 PolarHBondContact O-OG1 2.84Å |
| 12 | P | 58.5 | Low | 62.1 | Low | 104 Ų | 104 | 118.6 Ų | 118.6 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | | | trans | -78.3 | 75.5 | 177.2 | 1.4 | 19.8 | 0 | 0 | 0 | 107.2 | L10 E14 | L10-P12 VanDerWaalsContact O-CD 3.24Å; L10-P12 WeakPolarHBondContact O-CD 3.24Å; P12-E14 PolarHBondContact O-N 3.29Å |
| 13 | T | 59.7 | Low | 61.7 | Low | 119 Ų | 119 | 114.9 Ų | 114.9 | 73% | 0.73 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -72.4 | -3.5 | 175.5 | 27.4 | 0 | 0 | 0 | 0 | 113.2 | I11 H15 | I11-T13 HydrophobicContact CG2-CG2 3.85Å; I11-T13 PolarHBondContact O-N 3.49Å; I11-T13 PolarHBondContact O-OG1 2.84Å; T13-H15 PolarHBondContact O-N 3.48Å |
| 14 | E | 61.4 | Low | 61.3 | Low | 155 Ų | 155 | 113.3 Ų | 113.3 | 72% | 0.724 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -82.7 | -5 | -171.4 | 52.5 | 179.1 | -161.4 | 0 | 0 | 115.6 | P12 | P12-E14 PolarHBondContact O-N 3.29Š|
| 15 | H | 59.1 | Low | 60.9 | Low | 113 Ų | 113 | 115.6 Ų | 115.6 | 52% | 0.523 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -137.4 | 21.4 | -175.1 | -66.7 | -62.5 | 0 | 0 | 0 | 116.1 | T13 D17 D18 | T13-H15 PolarHBondContact O-N 3.48Å; H15-D17 VanDerWaalsContact C-N 3.3Å; H15-D18 IonicContact ND1-OD2 3.14Å; H15-D18 PolarHBondContact ND1-OD2 3.05Å; H15-D18 VanDerWaalsContact ND1-OD2 3.14Å |
| 16 | L | 60.8 | Low | 60.4 | Low | 124 Ų | 124 | 118.4 Ų | 118.4 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.5 | -30.8 | 176.6 | -162.2 | 75.3 | 0 | 0 | 0 | 112.2 | D18 A19 | L16-D18 VanDerWaalsContact C-N 3.31Å; L16-D18 PolarHBondContact O-N 3.03Å; L16-A19 PolarHBondContact O-N 3.49Å |
| 17 | D | 60.8 | Low | 60 | Low | 133 Ų | 133 | 122.7 Ų | 122.7 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.8 | -28.3 | -176.3 | -60 | -31.2 | 0 | 0 | 0 | 112.4 | H15 | H15-D17 VanDerWaalsContact C-N 3.3Å |
| 18 | D | 60.8 | Low | 59.9 | Low | 107 Ų | 107 | 123.5 Ų | 123.5 | 57% | 0.572 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.9 | -34 | 178.6 | -64.9 | -37.2 | 0 | 0 | 0 | 112.5 | H15 L16 F21 | H15-D18 IonicContact ND1-OD2 3.14Å; H15-D18 PolarHBondContact ND1-OD2 3.05Å; H15-D18 VanDerWaalsContact ND1-OD2 3.14Å; L16-D18 VanDerWaalsContact C-N 3.31Å; L16-D18 PolarHBondContact O-N 3.03Å; D18-F21 PolarHBondContact O-N 3.21Å |
| 19 | A | 60 | Low | 59.5 | Low | 63 Ų | 63 | 128.3 Ų | 128.3 | 52% | 0.521 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -72 | -32.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L16 F21 L22 G23 | L16-A19 PolarHBondContact O-N 3.49Å; A19-F21 VanDerWaalsContact C-N 3.29Å; A19-F21 PolarHBondContact O-N 3.41Å; A19-L22 PolarHBondContact O-N 3.11Å; A19-G23 PolarHBondContact O-N 3Å |
| 20 | L | 60.7 | Low | 59.2 | Low | 129 Ų | 129 | 125.4 Ų | 125.4 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -69.9 | -25.5 | 178 | -67 | 174.2 | 0 | 0 | 0 | 112.5 | | |
| 21 | F | 55.2 | Low | 58.6 | Low | 171 Ų | 171 | 123.3 Ų | 123.3 | 75% | 0.75 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.8 | -37.5 | 173.7 | -166.6 | -102.8 | 0 | 0 | 0 | 111.8 | D18 A19 S24 | D18-F21 PolarHBondContact O-N 3.21Å; A19-F21 VanDerWaalsContact C-N 3.29Å; A19-F21 PolarHBondContact O-N 3.41Å; F21-S24 PolarHBondContact O-OG 2.98Å |
| 22 | L | 57.7 | Low | 58.1 | Low | 144 Ų | 144 | 126.3 Ų | 126.3 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -78.1 | -22.3 | -178.5 | -153.3 | 69.1 | 0 | 0 | 0 | 113.7 | A19 S24 | A19-L22 PolarHBondContact O-N 3.11Å; L22-S24 PolarHBondContact O-N 3.45Å |
| 23 | G | 56.3 | Low | 58 | Low | 48 Ų | 48 | 127.6 Ų | 127.6 | 50% | 0.495 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A19 | A19-G23 PolarHBondContact O-N 3Š|
| 24 | S | 57.5 | Low | 57.7 | Low | 89 Ų | 89 | 128.1 Ų | 128.1 | 62% | 0.622 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 3.6 | -175.7 | 60.3 | 0 | 0 | 0 | 0 | 115.2 | F21 L22 | F21-S24 PolarHBondContact O-OG 2.98Å; L22-S24 PolarHBondContact O-N 3.45Å |
| 25 | N | 56.9 | Low | 57.4 | Low | 141 Ų | 141 | 124.7 Ų | 124.7 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | | | trans | -121.7 | 33.7 | -174.6 | -130.4 | -89 | 0 | 0 | 0 | 114.2 | | |
| 26 | L | 58.4 | Low | 57.2 | Low | 157 Ų | 157 | 125.7 Ų | 125.7 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | | | trans | -111 | 48.3 | -177.7 | -63.3 | 178.1 | 0 | 0 | 0 | 112.8 | N28 | L26-N28 PolarHBondContact O-N 3.14Š|
| 27 | E | 57.9 | Low | 57 | Low | 182 Ų | 182 | 123.1 Ų | 123.1 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | | | trans | -93.3 | 90.7 | 165.5 | 36.2 | -173.3 | 92.8 | 0 | 0 | 110.5 | | |
| 28 | N | 60.2 | Low | 56.9 | Low | 135 Ų | 135 | 120.5 Ų | 120.5 | 72% | 0.722 | 66% | 0.661 | S | S | * | * | | | trans | 40.3 | 85 | 144.3 | -164.7 | 56.6 | 0 | 0 | 0 | 117.8 | L26 V30 | L26-N28 PolarHBondContact O-N 3.14Å; N28-V30 WeakPolarHBondContact ND2-CG2 3.45Å; N28-V30 PolarHBondContact O-N 3.41Å |
| 29 | E | 56 | Low | 56.9 | Low | 191 Ų | 191 | 120.3 Ų | 120.3 | 89% | 0.893 | 66% | 0.66 | S | S | * | * | | | trans | -69.3 | 97.2 | 158.8 | -73.4 | -177.7 | -171.3 | 0 | 0 | 109.4 | C31 | E29-C31 VanDerWaalsContact C-N 3.35Å; E29-C31 PolarHBondContact O-N 3.41Å |
| 30 | V | 58.1 | Low | 57 | Low | 103 Ų | 103 | 122.8 Ų | 122.8 | 62% | 0.624 | 67% | 0.668 | S | S | * | * | | | trans | -60.1 | 100.8 | 158.7 | 171.5 | 0 | 0 | 0 | 0 | 106.6 | N28 E32 | N28-V30 WeakPolarHBondContact ND2-CG2 3.45Å; N28-V30 PolarHBondContact O-N 3.41Å; V30-E32 PolarHBondContact O-N 2.91Å |
| 31 | C | 49.7 | Very low | 57.5 | Low | 75 Ų | 75 | 121.4 Ų | 121.4 | 51% | 0.507 | 66% | 0.661 | S | S | . | * | | | trans | -60.7 | 101.7 | 177.2 | -179.3 | 0 | 0 | 0 | 0 | 110 | E29 D33 F34 | E29-C31 VanDerWaalsContact C-N 3.35Å; E29-C31 PolarHBondContact O-N 3.41Å; C31-D33 PolarHBondContact O-N 3.47Å; C31-F34 HydrophobicContact CB-CE2 4.43Å |
| 32 | E | 55.2 | Low | 58.5 | Low | 169 Ų | 169 | 116.8 Ų | 116.8 | 79% | 0.79 | 64% | 0.642 | S | S | * | * | | | trans | -79.3 | 10.8 | 176.5 | -79.3 | -129.6 | 149.5 | 0 | 0 | 113.7 | V30 F34 | V30-E32 PolarHBondContact O-N 2.91Å; E32-F34 PolarHBondContact O-N 3.24Å |
| 33 | D | 54.9 | Low | 59.4 | Low | 132 Ų | 132 | 114.4 Ų | 114.4 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -89.9 | 8.3 | -174.2 | -65.9 | -41.2 | 0 | 0 | 0 | 114.9 | C31 S35 | C31-D33 PolarHBondContact O-N 3.47Å; D33-S35 VanDerWaalsContact C-N 3.31Å; D33-S35 PolarHBondContact O-N 3.43Å |
| 34 | F | 54.8 | Low | 60.7 | Low | 130 Ų | 130 | 115 Ų | 115 | 57% | 0.57 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -75.6 | -14.1 | 179.8 | -81 | -85.9 | 0 | 0 | 0 | 114.4 | C31 E32 T36 Q38 | C31-F34 HydrophobicContact CB-CE2 4.43Å; E32-F34 PolarHBondContact O-N 3.24Å; F34-T36 PolarHBondContact O-N 2.64Å; F34-Q38 VanDerWaalsContact O-CB 3.31Å; F34-Q38 WeakPolarHBondContact O-CB 3.3Å; F34-Q38 PolarHBondContact O-N 2.99Å |
| 35 | S | 54.7 | Low | 61.8 | Low | 82 Ų | 82 | 114.9 Ų | 114.9 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -75.1 | -22.5 | -166.1 | -58.3 | 0 | 0 | 0 | 0 | 115.3 | D33 | D33-S35 VanDerWaalsContact C-N 3.31Å; D33-S35 PolarHBondContact O-N 3.43Å |
| 36 | T | 55.3 | Low | 63.3 | Low | 135 Ų | 135 | 114.9 Ų | 114.9 | 83% | 0.828 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -25.1 | -173.7 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | F34 | F34-T36 PolarHBondContact O-N 2.64Š|
| 37 | S | 56.7 | Low | 64.3 | Low | 69 Ų | 69 | 112.9 Ų | 112.9 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.8 | -1.9 | 172.6 | 61 | 0 | 0 | 0 | 0 | 112.9 | N39 V40 L41 | S37-N39 PolarHBondContact O-N 2.94Å; S37-V40 PolarHBondContact O-N 2.88Å; S37-V40 VanDerWaalsContact O-N 3.12Å; S37-L41 PolarHBondContact O-N 3.25Å |
| 38 | Q | 58 | Low | 65.6 | Low | 79 Ų | 79 | 110.8 Ų | 110.8 | 37% | 0.369 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -51.5 | -41.6 | -178.3 | -137.8 | 179.2 | -35.4 | 0 | 0 | 111.9 | F34 V40 L41 E42 | F34-Q38 VanDerWaalsContact O-CB 3.31Å; F34-Q38 WeakPolarHBondContact O-CB 3.3Å; F34-Q38 PolarHBondContact O-N 2.99Å; Q38-V40 PolarHBondContact O-N 3.15Å; Q38-L41 PolarHBondContact O-N 3.31Å; Q38-E42 VanDerWaalsContact CD-OE1 3.22Å; Q38-E42 HydrophobicContact CG-CG 4.15Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.09Å; Q38-E42 PolarHBondContact NE2-OE1 2.66Å; Q38-E42 WeakPolarHBondContact O-CB 3.48Å; Q38-E42 WeakPolarHBondContact O-CG 3.13Å; Q38-E42 PolarHBondContact O-N 3.45Å |
| 39 | N | 59.7 | Low | 66.6 | Low | 102 Ų | 102 | 111.5 Ų | 111.5 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.7 | -39.2 | -177.7 | -69.9 | -84.4 | 0 | 0 | 0 | 113 | S37 D43 | S37-N39 PolarHBondContact O-N 2.94Å; N39-D43 WeakPolarHBondContact O-CB 3.45Å; N39-D43 PolarHBondContact O-N 2.85Å |
| 40 | V | 64.1 | Low | 67.7 | Low | 116 Ų | 116 | 105 Ų | 105 | 70% | 0.703 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71 | -40 | -179.5 | -179 | 0 | 0 | 0 | 0 | 110.9 | S37 Q38 S44 | S37-V40 PolarHBondContact O-N 2.88Å; S37-V40 VanDerWaalsContact O-N 3.12Å; Q38-V40 PolarHBondContact O-N 3.15Å; V40-S44 WeakPolarHBondContact O-CB 3.24Å; V40-S44 PolarHBondContact O-N 3.5Å |
| 41 | L | 70.8 | Confident | 68.7 | Low | 100 Ų | 100 | 106 Ų | 106 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.5 | -43.1 | 178.3 | -174.1 | 65.8 | 0 | 0 | 0 | 111.1 | S37 Q38 S44 L45 | S37-L41 PolarHBondContact O-N 3.25Å; Q38-L41 PolarHBondContact O-N 3.31Å; L41-S44 PolarHBondContact O-N 3.44Å; L41-L45 HydrophobicContact CD1-CD1 4.4Å; L41-L45 HydrophobicContact CG-CD1 4.04Å; L41-L45 VanDerWaalsContact O-CB 3.32Å; L41-L45 WeakPolarHBondContact O-CB 3.43Å; L41-L45 WeakPolarHBondContact O-CD1 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 3.02Å |
| 42 | E | 75 | Confident | 69.9 | Low | 74 Ų | 74 | 111.4 Ų | 111.4 | 35% | 0.346 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.3 | -42.8 | 178.8 | -74.4 | 178 | 171.9 | 0 | 0 | 112.4 | Q38 L45 K46 | Q38-E42 VanDerWaalsContact CD-OE1 3.22Å; Q38-E42 HydrophobicContact CG-CG 4.15Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.09Å; Q38-E42 PolarHBondContact NE2-OE1 2.66Å; Q38-E42 WeakPolarHBondContact O-CB 3.48Å; Q38-E42 WeakPolarHBondContact O-CG 3.13Å; Q38-E42 PolarHBondContact O-N 3.45Å; E42-L45 PolarHBondContact O-N 2.94Å; E42-K46 VanDerWaalsContact O-CB 3.26Å; E42-K46 WeakPolarHBondContact O-CB 3.33Å; E42-K46 WeakPolarHBondContact O-CG 3.14Å; E42-K46 PolarHBondContact O-N 2.9Å |
| 43 | D | 77.8 | Confident | 70.8 | Confident | 93 Ų | 93 | 109.3 Ų | 109.3 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.6 | -37.9 | 176.5 | -71.2 | -24.7 | 0 | 0 | 0 | 110.9 | N39 N47 | N39-D43 WeakPolarHBondContact O-CB 3.45Å; N39-D43 PolarHBondContact O-N 2.85Å; D43-N47 WeakPolarHBondContact O-CB 3.18Å; D43-N47 PolarHBondContact O-N 3.38Å |
| 44 | S | 82.3 | Confident | 71.6 | Confident | 61 Ų | 61 | 108.9 Ų | 108.9 | 43% | 0.427 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.8 | -42.1 | 174.3 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | V40 L41 N47 M48 | V40-S44 WeakPolarHBondContact O-CB 3.24Å; V40-S44 PolarHBondContact O-N 3.5Å; L41-S44 PolarHBondContact O-N 3.44Å; S44-N47 PolarHBondContact O-N 3.37Å; S44-M48 WeakPolarHBondContact O-CG 3.39Å; S44-M48 PolarHBondContact O-N 2.96Å |
| 45 | L | 82.4 | Confident | 72.2 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 45% | 0.45 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.3 | -46.2 | 176.6 | -76.2 | 166.5 | 0 | 0 | 0 | 111.3 | L41 E42 N47 M48 L49 | L41-L45 HydrophobicContact CD1-CD1 4.4Å; L41-L45 HydrophobicContact CG-CD1 4.04Å; L41-L45 VanDerWaalsContact O-CB 3.32Å; L41-L45 WeakPolarHBondContact O-CB 3.43Å; L41-L45 WeakPolarHBondContact O-CD1 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 3.02Å; E42-L45 PolarHBondContact O-N 2.94Å; L45-N47 PolarHBondContact O-N 3.27Å; L45-M48 PolarHBondContact O-N 3.07Å; L45-L49 WeakPolarHBondContact O-CB 3.21Å; L45-L49 WeakPolarHBondContact O-CG 3.31Å; L45-L49 PolarHBondContact O-N 3.48Å |
| 46 | K | 86.9 | Confident | 72.6 | Confident | 141 Ų | 141 | 114.8 Ų | 114.8 | 61% | 0.613 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -56.9 | -41.4 | 172.1 | -88 | 174 | 168.9 | 170.1 | 0 | 110.9 | E42 L49 S50 | E42-K46 VanDerWaalsContact O-CB 3.26Å; E42-K46 WeakPolarHBondContact O-CB 3.33Å; E42-K46 WeakPolarHBondContact O-CG 3.14Å; E42-K46 PolarHBondContact O-N 2.9Å; K46-L49 CarbonylContact O-C 3.5Å; K46-L49 PolarHBondContact O-N 3.49Å; K46-S50 WeakPolarHBondContact O-CA 3.21Å; K46-S50 WeakPolarHBondContact O-CB 3.42Å; K46-S50 PolarHBondContact O-N 3Å; K46-S50 PolarHBondContact O-OG 3.15Å |
| 47 | N | 80.3 | Confident | 73 | Confident | 115 Ų | 115 | 111.8 Ų | 111.8 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.6 | -45.5 | 177.9 | -176.1 | 60.2 | 0 | 0 | 0 | 111.8 | D43 S44 L45 L49 S50 | D43-N47 WeakPolarHBondContact O-CB 3.18Å; D43-N47 PolarHBondContact O-N 3.38Å; S44-N47 PolarHBondContact O-N 3.37Å; L45-N47 PolarHBondContact O-N 3.27Å; N47-L49 VanDerWaalsContact C-N 3.33Å; N47-L49 PolarHBondContact O-N 3.44Å; N47-S50 WeakPolarHBondContact CA-OG 3.28Å; N47-S50 PolarHBondContact O-N 2.88Å; N47-S50 PolarHBondContact O-OG 2.96Å |
| 48 | M | 84.6 | Confident | 73.3 | Confident | 139 Ų | 139 | 114.7 Ų | 114.7 | 69% | 0.685 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.1 | -34.4 | 175.3 | -71.3 | -178.8 | 70.9 | 0 | 0 | 113.1 | S44 L45 | S44-M48 WeakPolarHBondContact O-CG 3.39Å; S44-M48 PolarHBondContact O-N 2.96Å; L45-M48 PolarHBondContact O-N 3.07Å |
| 49 | L | 80.4 | Confident | 73.5 | Confident | 149 Ų | 149 | 115.4 Ų | 115.4 | 78% | 0.78 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -86.7 | -13.7 | 177.8 | -63.4 | 176.3 | 0 | 0 | 0 | 112.9 | L45 K46 N47 D51 | L45-L49 WeakPolarHBondContact O-CB 3.21Å; L45-L49 WeakPolarHBondContact O-CG 3.31Å; L45-L49 PolarHBondContact O-N 3.48Å; K46-L49 CarbonylContact O-C 3.5Å; K46-L49 PolarHBondContact O-N 3.49Å; N47-L49 VanDerWaalsContact C-N 3.33Å; N47-L49 PolarHBondContact O-N 3.44Å; L49-D51 PolarHBondContact O-N 3Å |
| 50 | S | 80.1 | Confident | 73.3 | Confident | 54 Ų | 54 | 114.7 Ų | 114.7 | 38% | 0.378 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.8 | 6.1 | -179.3 | 69.9 | 0 | 0 | 0 | 0 | 112.8 | K46 N47 K52 | K46-S50 WeakPolarHBondContact O-CA 3.21Å; K46-S50 WeakPolarHBondContact O-CB 3.42Å; K46-S50 PolarHBondContact O-N 3Å; K46-S50 PolarHBondContact O-OG 3.15Å; N47-S50 WeakPolarHBondContact CA-OG 3.28Å; N47-S50 PolarHBondContact O-N 2.88Å; N47-S50 PolarHBondContact O-OG 2.96Å; S50-K52 VanDerWaalsContact C-N 3.33Å; S50-K52 WeakPolarHBondContact O-CA 3.14Å; S50-K52 VanDerWaalsContact O-CB 3.3Å; S50-K52 WeakPolarHBondContact O-CB 3.37Å; S50-K52 WeakPolarHBondContact O-CG 3.22Å; S50-K52 PolarHBondContact O-N 2.98Å |
| 51 | D | 79.6 | Confident | 73.1 | Confident | 126 Ų | 126 | 116 Ų | 116 | 67% | 0.674 | 66% | 0.656 | S | S | * | * | | | trans | -32.7 | 96.1 | 179.2 | -151.3 | 11 | 0 | 0 | 0 | 110.4 | L49 | L49-D51 PolarHBondContact O-N 3Š|
| 52 | K | 74.4 | Confident | 72.8 | Confident | 187 Ų | 187 | 118.7 Ų | 118.7 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | | | trans | -108.5 | 73.4 | -171.3 | -92.8 | -99.3 | -171.8 | -67.1 | 0 | 104.2 | S50 P54 | S50-K52 VanDerWaalsContact C-N 3.33Å; S50-K52 WeakPolarHBondContact O-CA 3.14Å; S50-K52 VanDerWaalsContact O-CB 3.3Å; S50-K52 WeakPolarHBondContact O-CB 3.37Å; S50-K52 WeakPolarHBondContact O-CG 3.22Å; S50-K52 PolarHBondContact O-N 2.98Å; K52-P54 WeakPolarHBondContact O-CD 3.2Å |
| 53 | D | 74.5 | Confident | 71.9 | Confident | 125 Ų | 125 | 124 Ų | 124 | 67% | 0.668 | 69% | 0.689 | S | S | * | * | | | trans | -72.9 | 111.3 | 168.7 | -76.3 | -34.2 | 0 | 0 | 0 | 108.6 | M55 | D53-M55 PolarHBondContact O-N 3.25Š|
| 54 | P | 70.8 | Confident | 70.6 | Confident | 124 Ų | 124 | 124 Ų | 124 | 81% | 0.805 | 70% | 0.695 | S | S | * | * | | | trans | -80.8 | 80.1 | 164.2 | 32.6 | -21.8 | 0 | 0 | 0 | 106.5 | K52 L56 | K52-P54 WeakPolarHBondContact O-CD 3.2Å; P54-L56 PolarHBondContact O-N 3Å |
| 55 | M | 67.5 | Low | 69.5 | Low | 163 Ų | 163 | 127.5 Ų | 127.5 | 80% | 0.803 | 71% | 0.708 | S | S | * | * | | | trans | -81.7 | 61.2 | -179.8 | -155.2 | -158.9 | 79.7 | 0 | 0 | 111.1 | D53 | D53-M55 PolarHBondContact O-N 3.25Š|
| 56 | L | 64.6 | Low | 68.2 | Low | 172 Ų | 172 | 128.1 Ų | 128.1 | 90% | 0.901 | 72% | 0.717 | S | S | * | * | | | trans | -147.3 | 121.9 | 164 | -71.8 | -178.6 | 0 | 0 | 0 | 111.5 | P54 | P54-L56 PolarHBondContact O-N 3Š|
| 57 | G | 62.1 | Low | 66.8 | Low | 73 Ų | 73 | 127.9 Ų | 127.9 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 122.5 | 33.1 | 138.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 58 | S | 64 | Low | 65.5 | Low | 129 Ų | 129 | 127.5 Ų | 127.5 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | | | trans | -146.6 | 66.5 | 166.2 | -69.4 | 0 | 0 | 0 | 0 | 113 | | |
| 59 | A | 62.6 | Low | 64.1 | Low | 95 Ų | 95 | 127.8 Ų | 127.8 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -136.9 | 79.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 60 | S | 54.9 | Low | 62.8 | Low | 86 Ų | 86 | 123.5 Ų | 123.5 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | | | trans | 77.2 | 118.3 | 151.6 | 91.6 | 0 | 0 | 0 | 0 | 119 | Q62 | S60-Q62 PolarHBondContact O-N 3.34Å; S60-Q62 VanDerWaalsContact OG-CB 3.25Å; S60-Q62 WeakPolarHBondContact OG-CB 3.34Å; S60-Q62 PolarHBondContact OG-N 2.87Å |
| 61 | N | 59.2 | Low | 61.7 | Low | 143 Ų | 143 | 129.1 Ų | 129.1 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | | | trans | -67.3 | 47.4 | 147.1 | -72.2 | 12 | 0 | 0 | 0 | 110.9 | F63 C64 | N61-F63 PolarHBondContact O-N 3.21Å; N61-C64 PolarHBondContact O-N 3.44Å |
| 62 | Q | 66 | Low | 60.7 | Low | 158 Ų | 158 | 126.8 Ų | 126.8 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -1.6 | 178.8 | -156.1 | 171.4 | 10.9 | 0 | 0 | 113.3 | S60 | S60-Q62 PolarHBondContact O-N 3.34Å; S60-Q62 VanDerWaalsContact OG-CB 3.25Å; S60-Q62 WeakPolarHBondContact OG-CB 3.34Å; S60-Q62 PolarHBondContact OG-N 2.87Å |
| 63 | F | 55.9 | Low | 60 | Low | 186 Ų | 186 | 123 Ų | 123 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 72.8 | 151.3 | -64 | -85.7 | 0 | 0 | 0 | 108 | N61 L65 | N61-F63 PolarHBondContact O-N 3.21Å; F63-L65 PolarHBondContact O-N 2.97Å |
| 64 | C | 50.5 | Low | 59.2 | Low | 92 Ų | 92 | 123.4 Ų | 123.4 | 62% | 0.622 | 72% | 0.722 | S | S | * | * | | | trans | -55.4 | 94.5 | 138.1 | -72.6 | 0 | 0 | 0 | 0 | 104.7 | N61 P66 | N61-C64 PolarHBondContact O-N 3.44Å; C64-P66 WeakPolarHBondContact O-CD 3.32Å; C64-P66 VanDerWaalsContact O-N 3.08Å |
| 65 | L | 57.8 | Low | 58.3 | Low | 135 Ų | 135 | 124.1 Ų | 124.1 | 71% | 0.707 | 71% | 0.712 | S | S | * | * | | | trans | -49.6 | 123.2 | 161.6 | -66.2 | 177.5 | 0 | 0 | 0 | 104.4 | F63 V67 | F63-L65 PolarHBondContact O-N 2.97Å; L65-V67 PolarHBondContact O-N 2.94Å |
| 66 | P | 55.3 | Low | 57.8 | Low | 99 Ų | 99 | 124.7 Ų | 124.7 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | | | trans | -52.7 | 125.4 | 162.5 | 24.2 | -29.7 | 0 | 0 | 0 | 104.2 | C64 L68 | C64-P66 WeakPolarHBondContact O-CD 3.32Å; C64-P66 VanDerWaalsContact O-N 3.08Å; P66-L68 VanDerWaalsContact C-N 3.26Å; P66-L68 PolarHBondContact O-N 3.13Å |
| 67 | V | 58 | Low | 57.4 | Low | 135 Ų | 135 | 124.9 Ų | 124.9 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | | | trans | -50.2 | 105.5 | 166.1 | 171 | 0 | 0 | 0 | 0 | 104.4 | L65 D69 | L65-V67 PolarHBondContact O-N 2.94Å; V67-D69 HydrophobicContact CG1-CB 4.43Å; V67-D69 PolarHBondContact O-N 3.46Å |
| 68 | L | 52.7 | Low | 56.9 | Low | 108 Ų | 108 | 126.9 Ų | 126.9 | 57% | 0.565 | 71% | 0.711 | S | S | * | * | | | trans | -70.8 | 75 | 173.4 | -102.9 | 104 | 0 | 0 | 0 | 105.8 | P66 F75 | P66-L68 VanDerWaalsContact C-N 3.26Å; P66-L68 PolarHBondContact O-N 3.13Å; L68-F75 HydrophobicContact CD2-CB 4.25Å |
| 69 | D | 55.9 | Low | 56 | Low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | | | trans | -91.8 | 68.9 | 150.3 | -167.7 | 14.8 | 0 | 0 | 0 | 107 | V67 | V67-D69 HydrophobicContact CG1-CB 4.43Å; V67-D69 PolarHBondContact O-N 3.46Å |
| 70 | S | 52.2 | Low | 55.3 | Low | 59 Ų | 59 | 127.9 Ų | 127.9 | 41% | 0.413 | 71% | 0.711 | S | S | . | * | | | trans | -156 | 116.9 | 165.5 | 65.5 | 0 | 0 | 0 | 0 | 108.9 | D72 | S70-D72 PolarHBondContact O-N 3.35Š|
| 71 | N | 57.6 | Low | 54.8 | Low | 173 Ų | 173 | 129.8 Ų | 129.8 | 93% | 0.925 | 72% | 0.719 | S | S | * | * | | | trans | -62.8 | 62.1 | 166.1 | -79 | -87.9 | 0 | 0 | 0 | 110.7 | | |
| 72 | D | 57.5 | Low | 54.4 | Low | 76 Ų | 76 | 129.2 Ų | 129.2 | 41% | 0.406 | 72% | 0.72 | S | S | . | * | | | trans | -119.2 | 110.4 | -178.5 | -147.1 | -37.7 | 0 | 0 | 0 | 109.7 | S70 N74 F75 | S70-D72 PolarHBondContact O-N 3.35Å; D72-N74 PolarHBondContact O-N 2.87Å; D72-N74 PolarHBondContact OD1-ND2 3.24Å; D72-F75 HydrophobicContact CB-CD2 4.18Å; D72-F75 HydrophobicContact CB-CE2 4.42Å |
| 73 | P | 60.3 | Low | 53.4 | Low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -69.5 | -1.8 | -172 | 25.7 | -32.7 | 0 | 0 | 0 | 114.5 | | |
| 74 | N | 58.3 | Low | 52.9 | Low | 133 Ų | 133 | 123.2 Ų | 123.2 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -87.7 | -8.3 | -176.1 | -68.8 | -72.1 | 0 | 0 | 0 | 115 | D72 | D72-N74 PolarHBondContact O-N 2.87Å; D72-N74 PolarHBondContact OD1-ND2 3.24Å |
| 75 | F | 52.6 | Low | 53.2 | Low | 139 Ų | 139 | 126.2 Ų | 126.2 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -102.7 | 18.1 | -176.5 | -67.2 | -75.2 | 0 | 0 | 0 | 114.7 | L68 D72 M77 | L68-F75 HydrophobicContact CD2-CB 4.25Å; D72-F75 HydrophobicContact CB-CD2 4.18Å; D72-F75 HydrophobicContact CB-CE2 4.42Å; F75-M77 PolarHBondContact O-N 2.95Å; F75-M77 VanDerWaalsContact O-N 3.15Å |
| 76 | Q | 56.5 | Low | 52.8 | Low | 175 Ų | 175 | 126 Ų | 126 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | trans | -75.2 | 102 | 170.4 | -78.9 | -171.6 | 0.1 | 0 | 0 | 110.5 | | |
| 77 | M | 55.4 | Low | 52.6 | Low | 175 Ų | 175 | 129.2 Ų | 129.2 | 86% | 0.862 | 74% | 0.743 | S | S | * | * | | | trans | -78 | 121.7 | 164.7 | -140.1 | 80.2 | -165.7 | 0 | 0 | 108.2 | F75 C79 | F75-M77 PolarHBondContact O-N 2.95Å; F75-M77 VanDerWaalsContact O-N 3.15Å; M77-C79 PolarHBondContact O-N 3.35Å; M77-C79 VanDerWaalsContact O-N 3.09Å |
| 78 | P | 52.3 | Low | 52.7 | Low | 116 Ų | 116 | 130.4 Ų | 130.4 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | trans | -73.1 | 106.9 | 177.5 | 28 | -31 | 0 | 0 | 0 | 109.5 | S80 | P78-S80 PolarHBondContact O-N 2.81Š|
| 79 | C | 43.8 | Very low | 53 | Low | 129 Ų | 129 | 133.9 Ų | 133.9 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | | | trans | -67.6 | 117.6 | 159.8 | -84 | 0 | 0 | 0 | 0 | 108.2 | M77 | M77-C79 PolarHBondContact O-N 3.35Å; M77-C79 VanDerWaalsContact O-N 3.09Å |
| 80 | S | 48.2 | Very low | 52.8 | Low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -129.1 | 100.3 | 162.8 | -169.5 | 0 | 0 | 0 | 0 | 109.4 | P78 | P78-S80 PolarHBondContact O-N 2.81Š|
| 81 | T | 45.3 | Very low | 52.8 | Low | 125 Ų | 125 | 139.6 Ų | 139.6 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | -95.3 | 128.6 | 162.4 | -46.8 | 0 | 0 | 0 | 0 | 107 | | |
| 82 | V | 49.8 | Very low | 52.3 | Low | 131 Ų | 131 | 134.4 Ų | 134.4 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | trans | 58.3 | 103.8 | 154.1 | 89.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 83 | V | 45.7 | Very low | 51.8 | Low | 154 Ų | 154 | 137.4 Ų | 137.4 | 93% | 0.933 | 79% | 0.787 | S | S | * | * | | | trans | -155.1 | 129.6 | 149.3 | 174.7 | 0 | 0 | 0 | 0 | 103.4 | | |
| 84 | G | 45.7 | Very low | 50.9 | Low | 65 Ų | 65 | 138.7 Ų | 138.7 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | | | cis | 162.9 | 139.9 | 11.5 | 0 | 0 | 0 | 0 | 0 | 104.4 | | |
| 85 | L | 55.7 | Low | 50.6 | Low | 155 Ų | 155 | 142.1 Ų | 142.1 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -56.5 | 150 | 180 | -162 | 77.5 | 0 | 0 | 0 | 112.7 | | |
| 86 | D | 49.6 | Very low | 50.4 | Low | 131 Ų | 131 | 144.6 Ų | 144.6 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | 68.6 | 141.7 | 164.6 | -59.3 | -36.9 | 0 | 0 | 0 | 118.2 | | |
| 87 | D | 52.3 | Low | 49.7 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | | | trans | 105.9 | 41.6 | 170.2 | -52.2 | -27.1 | 0 | 0 | 0 | 120.4 | | |
| 88 | I | 58.9 | Low | 49.1 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | | | trans | -136.6 | 112 | 154.7 | -35.7 | 177.4 | 0 | 0 | 0 | 105.8 | | |
| 89 | M | 59.3 | Low | 48.7 | Very low | 181 Ų | 181 | 139 Ų | 139 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | | | | -160.1 | 116.3 | 56.4 | -65.9 | 163.4 | -69.2 | 0 | 0 | 109.2 | | |
| 90 | D | 52.9 | Low | 48.6 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | | | trans | -113.2 | 144 | 160.6 | -174.1 | 25.5 | 0 | 0 | 0 | 108.6 | | |
| 91 | E | 50.3 | Low | 48.7 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 73.2 | 98 | 171.7 | -148.2 | 87.8 | -136.1 | 0 | 0 | 118.9 | | |
| 92 | G | 48.1 | Very low | 49 | Very low | 63 Ų | 63 | 140.9 Ų | 140.9 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | | 88.1 | 111 | 115.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 93 | V | 46.5 | Very low | 49 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | 78.9 | 96.4 | 148.3 | -171.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 94 | V | 41.8 | Very low | 49.4 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | | -153.7 | 117.6 | 107.4 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 95 | K | 52.1 | Low | 49.9 | Very low | 205 Ų | 205 | 145.2 Ų | 145.2 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -90.8 | 102.6 | 171.5 | -174.9 | -178.9 | 173.1 | -179.7 | 0 | 106.4 | | |
| 96 | E | 48.1 | Very low | 49.7 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | | | trans | -94.8 | 137 | 165.7 | 83.5 | 179.1 | 155.1 | 0 | 0 | 110.6 | | |
| 97 | S | 42.3 | Very low | 49.8 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -108.2 | 120.7 | -160.7 | 154.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 98 | G | 43.5 | Very low | 49.7 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | trans | 64.8 | 113 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 99 | N | 43.6 | Very low | 49.5 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | -147.9 | 143.7 | 130.9 | 52.8 | 18 | 0 | 0 | 0 | 111.9 | | |
| 100 | D | 40.4 | Very low | 48.9 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -65.3 | 147.7 | -172.1 | -105.3 | -31.5 | 0 | 0 | 0 | 114.8 | | |
| 101 | T | 50 | Low | 48.5 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | trans | 47.3 | 103.1 | 143.3 | 63.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 102 | I | 52.9 | Low | 48.6 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | | | | -130.5 | 120.8 | 123.8 | 77 | -179.3 | 0 | 0 | 0 | 107.3 | E104 | I102-E104 HydrophobicContact CD1-CG 4.48Å; I102-E104 WeakPolarHBondContact CD1-OE1 3.45Å |
| 103 | D | 50.3 | Low | 48.6 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | -102.7 | 110 | 163.7 | -175.4 | 19.3 | 0 | 0 | 0 | 105 | | |
| 104 | E | 53.4 | Low | 48.5 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 66% | 0.659 | 76% | 0.757 | S | S | * | * | | | trans | -126.4 | 66.9 | 173.7 | 64.9 | 178.1 | 114.7 | 0 | 0 | 109.2 | I102 E106 | I102-E104 HydrophobicContact CD1-CG 4.48Å; I102-E104 WeakPolarHBondContact CD1-OE1 3.45Å; E104-E106 PolarHBondContact O-N 3.46Å |
| 105 | E | 55.6 | Low | 48.9 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -68.4 | 31.1 | 150.1 | 58.8 | -175.8 | -177.8 | 0 | 0 | 112.9 | | |
| 106 | E | 52.7 | Low | 48.4 | Very low | 133 Ų | 133 | 144 Ų | 144 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | | | trans | -145.3 | 126.3 | 178.2 | -90.1 | -151.9 | 140.4 | 0 | 0 | 105 | E104 | E104-E106 PolarHBondContact O-N 3.46Š|
| 107 | L | 50.5 | Low | 48.1 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | | | cis | 177.3 | 131.8 | 26.6 | -104.3 | 168.3 | 0 | 0 | 0 | 105.5 | | |
| 108 | I | 50.8 | Low | 48.2 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | | | trans | 82.5 | 91.3 | 150.8 | -45.5 | 148.7 | 0 | 0 | 0 | 114.8 | P110 | I108-P110 HydrophobicContact CG2-CB 4.43Å; I108-P110 HydrophobicContact CG2-CG 4.19Å; I108-P110 WeakPolarHBondContact O-CD 3.16Å |
| 109 | L | 55.1 | Low | 48 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | | | trans | -57.8 | 115 | 137 | -68.4 | 168.6 | 0 | 0 | 0 | 108.3 | N111 | L109-N111 VanDerWaalsContact C-N 3.29Å; L109-N111 PolarHBondContact O-N 2.89Å |
| 110 | P | 46.7 | Very low | 47.7 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | | | trans | -81.9 | 88.8 | 168.9 | -4.3 | 25.2 | 0 | 0 | 0 | 107.9 | I108 | I108-P110 HydrophobicContact CG2-CB 4.43Å; I108-P110 HydrophobicContact CG2-CG 4.19Å; I108-P110 WeakPolarHBondContact O-CD 3.16Å |
| 111 | N | 43 | Very low | 47.6 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | | | | 52 | 98.6 | 127.5 | -145 | -88.5 | 0 | 0 | 0 | 117.7 | L109 S113 | L109-N111 VanDerWaalsContact C-N 3.29Å; L109-N111 PolarHBondContact O-N 2.89Å; N111-S113 PolarHBondContact O-N 3.37Å; N111-S113 VanDerWaalsContact O-N 3.15Å; N111-S113 PolarHBondContact OD1-N 2.78Å; N111-S113 PolarHBondContact OD1-OG 3.47Å |
| 112 | R | 54 | Low | 47.6 | Very low | 250 Ų | 250 | 146 Ų | 146 | 94% | 0.943 | 73% | 0.729 | S | S | * | * | | | trans | -44.3 | 101.3 | 134.2 | -172.9 | -173.6 | -160.6 | 175 | 5.4 | 111.3 | | |
| 113 | S | 47.9 | Very low | 47.2 | Very low | 75 Ų | 75 | 146.2 Ų | 146.2 | 52% | 0.524 | 74% | 0.737 | S | S | . | * | | | trans | 176 | 162 | 138.9 | 66.6 | 0 | 0 | 0 | 0 | 114 | N111 | N111-S113 PolarHBondContact O-N 3.37Å; N111-S113 VanDerWaalsContact O-N 3.15Å; N111-S113 PolarHBondContact OD1-N 2.78Å; N111-S113 PolarHBondContact OD1-OG 3.47Å |
| 114 | L | 43.1 | Very low | 47.3 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | | | trans | 89 | 88.5 | 174.9 | -61.2 | 168.5 | 0 | 0 | 0 | 113.8 | | |
| 115 | R | 51.1 | Low | 47.5 | Very low | 221 Ų | 221 | 148 Ų | 148 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | | | | 32.9 | 93.3 | 64.8 | 53.5 | -177.6 | 160.2 | -158 | -7.4 | 114.1 | | |
| 116 | D | 41.8 | Very low | 47.3 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | | | trans | -151.3 | 109 | 144.8 | -129.4 | 8.5 | 0 | 0 | 0 | 106.8 | | |
| 117 | R | 42.1 | Very low | 47.7 | Very low | 214 Ų | 214 | 149.8 Ų | 149.8 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | | 54.7 | 101.3 | 97.7 | -82.5 | 176.4 | 74.2 | 149.4 | -1.3 | 111.6 | | |
| 118 | V | 43.7 | Very low | 48.3 | Very low | 98 Ų | 98 | 153.6 Ų | 153.6 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | | | | 102.9 | 137.7 | 78.1 | 149.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 119 | E | 38.7 | Very low | 49 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | 72.9 | 128.5 | 163.6 | -76.8 | 146.7 | -162.1 | 0 | 0 | 115.5 | | |
| 120 | D | 38.8 | Very low | 49.5 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | | | cis | -163.1 | 140.9 | 28.4 | -98.7 | -49.6 | 0 | 0 | 0 | 112.4 | | |
| 121 | N | 36.5 | Very low | 50.3 | Low | 143 Ų | 143 | 155.2 Ų | 155.2 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | | | trans | 53.5 | 113.7 | 134.4 | -52.5 | -24.4 | 0 | 0 | 0 | 120.9 | | |
| 122 | S | 50.9 | Low | 51 | Low | 110 Ų | 110 | 157.2 Ų | 157.2 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | | 150.6 | 94.4 | 105.5 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 123 | V | 45.3 | Very low | 51.1 | Low | 146 Ų | 146 | 152.8 Ų | 152.8 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | | | trans | -167.6 | 64.1 | 130.2 | -88.6 | 0 | 0 | 0 | 0 | 107.7 | S125 | V123-S125 VanDerWaalsContact C-N 3.33Å; V123-S125 PolarHBondContact O-N 3.28Å |
| 124 | R | 51.8 | Low | 51.6 | Low | 233 Ų | 233 | 152 Ų | 152 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | | | trans | -72.5 | 93.8 | 167.6 | -173 | 178 | -177.3 | -176.8 | 3.5 | 107.3 | P126 | R124-P126 VanDerWaalsContact O-CD 3.28Å; R124-P126 WeakPolarHBondContact O-CD 3.12Å |
| 125 | S | 57.9 | Low | 52.3 | Low | 76 Ų | 76 | 153.2 Ų | 153.2 | 53% | 0.531 | 76% | 0.762 | S | S | . | * | | | trans | -57 | 126.3 | 170.8 | 65 | 0 | 0 | 0 | 0 | 109.2 | V123 R127 | V123-S125 VanDerWaalsContact C-N 3.33Å; V123-S125 PolarHBondContact O-N 3.28Å; S125-R127 VanDerWaalsContact C-N 3.27Å; S125-R127 PolarHBondContact O-N 3.43Å |
| 126 | P | 51.9 | Low | 52.3 | Low | 120 Ų | 120 | 145.4 Ų | 145.4 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | -74.1 | 80.1 | 176.3 | -17.7 | 32.6 | 0 | 0 | 0 | 110.3 | R124 K128 | R124-P126 VanDerWaalsContact O-CD 3.28Å; R124-P126 WeakPolarHBondContact O-CD 3.12Å; P126-K128 VanDerWaalsContact C-N 3.27Å; P126-K128 PolarHBondContact O-N 3.23Å |
| 127 | R | 59.7 | Low | 52.6 | Low | 220 Ų | 220 | 144.4 Ų | 144.4 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | | | trans | -72.2 | 93.4 | 161.1 | -74.8 | -169.3 | 167.6 | 109.1 | -2.7 | 107.3 | S125 S129 | S125-R127 VanDerWaalsContact C-N 3.27Å; S125-R127 PolarHBondContact O-N 3.43Å; R127-S129 VanDerWaalsContact C-N 3.28Å; R127-S129 PolarHBondContact O-N 3.34Å |
| 128 | K | 63.5 | Low | 52.9 | Low | 204 Ų | 204 | 144 Ų | 144 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | | | trans | -70.5 | 81.4 | -180 | -136.9 | 151.5 | -177.7 | 176 | 0 | 108.6 | P126 | P126-K128 VanDerWaalsContact C-N 3.27Å; P126-K128 PolarHBondContact O-N 3.23Å |
| 129 | S | 66.5 | Low | 53.3 | Low | 97 Ų | 97 | 143.3 Ų | 143.3 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | trans | -82 | 138.2 | 163.4 | 51 | 0 | 0 | 0 | 0 | 109 | R127 R131 | R127-S129 VanDerWaalsContact C-N 3.28Å; R127-S129 PolarHBondContact O-N 3.34Å; S129-R131 PolarHBondContact O-N 3.12Å; S129-R131 VanDerWaalsContact O-N 3.13Å |
| 130 | P | 64.1 | Low | 54.1 | Low | 119 Ų | 119 | 138.2 Ų | 138.2 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | | | trans | -58.3 | 117.3 | 173.5 | -22.7 | 33.2 | 0 | 0 | 0 | 110.2 | L132 | P130-L132 PolarHBondContact O-N 3.39Š|
| 131 | R | 63.6 | Low | 55.1 | Low | 233 Ų | 233 | 136.4 Ų | 136.4 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | | | trans | -68.9 | 111.1 | 164.2 | -85.2 | 178.3 | 163.5 | 154.1 | -7.1 | 107.4 | S129 M133 | S129-R131 PolarHBondContact O-N 3.12Å; S129-R131 VanDerWaalsContact O-N 3.13Å; R131-M133 PolarHBondContact O-N 3.18Å |
| 132 | L | 58.6 | Low | 56.2 | Low | 165 Ų | 165 | 131 Ų | 131 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | | | trans | -67.8 | 113.2 | 161.1 | -65.8 | -178.9 | 0 | 0 | 0 | 107.2 | P130 A134 | P130-L132 PolarHBondContact O-N 3.39Å; L132-A134 PolarHBondContact O-N 3.41Å |
| 133 | M | 56.4 | Low | 56.8 | Low | 158 Ų | 158 | 131.2 Ų | 131.2 | 78% | 0.778 | 69% | 0.692 | S | S | * | * | | | trans | -61.8 | 98.5 | 167.4 | -79.2 | 176.6 | 79 | 0 | 0 | 108 | R131 | R131-M133 PolarHBondContact O-N 3.18Š|
| 134 | A | 57.8 | Low | 57.7 | Low | 57 Ų | 57 | 129.3 Ų | 129.3 | 47% | 0.471 | 68% | 0.68 | S | S | . | * | | | trans | -97.8 | 42.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | L132 G136 | L132-A134 PolarHBondContact O-N 3.41Å; A134-G136 VanDerWaalsContact C-N 3.3Å; A134-G136 PolarHBondContact O-N 2.68Å; A134-G136 VanDerWaalsContact O-N 3.15Å |
| 135 | Q | 57.1 | Low | 58.3 | Low | 173 Ų | 173 | 123.3 Ų | 123.3 | 81% | 0.808 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 89.7 | 162.3 | -81.7 | 179.7 | -17.2 | 0 | 0 | 106.7 | | |
| 136 | G | 51.8 | Low | 58.6 | Low | 57 Ų | 57 | 123.8 Ų | 123.8 | 59% | 0.588 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 166.2 | -27.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A134 | A134-G136 VanDerWaalsContact C-N 3.3Å; A134-G136 PolarHBondContact O-N 2.68Å; A134-G136 VanDerWaalsContact O-N 3.15Å |
| 137 | L | 48.4 | Very low | 59.1 | Low | 125 Ų | 125 | 119.6 Ų | 119.6 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -96.6 | -36.7 | -179.5 | -145.9 | 74.3 | 0 | 0 | 0 | 113 | S139 A140 V141 | L137-S139 VanDerWaalsContact C-N 3.35Å; L137-S139 PolarHBondContact O-N 3.36Å; L137-A140 PolarHBondContact O-N 2.75Å; L137-V141 WeakPolarHBondContact O-CG2 3.31Å; L137-V141 PolarHBondContact O-N 3.32Å; L137-V141 VanDerWaalsContact O-N 3.07Å |
| 138 | W | 47.4 | Very low | 59.3 | Low | 206 Ų | 206 | 115 Ų | 115 | 78% | 0.78 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.5 | -24.9 | -178.9 | -63.7 | 90.4 | 0 | 0 | 0 | 114 | G142 | W138-G142 PolarHBondContact O-N 3.23Å |
| 139 | S | 53.1 | Low | 59.5 | Low | 83 Ų | 83 | 109.8 Ų | 109.8 | 58% | 0.58 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.1 | -42.5 | 176.1 | -155 | 0 | 0 | 0 | 0 | 111 | L137 G142 D143 | L137-S139 VanDerWaalsContact C-N 3.35Å; L137-S139 PolarHBondContact O-N 3.36Å; S139-G142 PolarHBondContact O-N 3.28Å; S139-D143 WeakPolarHBondContact O-CB 3.16Å; S139-D143 PolarHBondContact O-N 3.01Å |
| 140 | A | 54.9 | Low | 59.2 | Low | 55 Ų | 55 | 112.3 Ų | 112.3 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.8 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L137 V144 | L137-A140 PolarHBondContact O-N 2.75Å; A140-V144 WeakPolarHBondContact O-CB 3.33Å; A140-V144 WeakPolarHBondContact O-CG2 3.09Å; A140-V144 PolarHBondContact O-N 2.88Å |
| 141 | V | 59.4 | Low | 59.1 | Low | 84 Ų | 84 | 111.9 Ų | 111.9 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.2 | -35.8 | 175.1 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | L137 M145 | L137-V141 WeakPolarHBondContact O-CG2 3.31Å; L137-V141 PolarHBondContact O-N 3.32Å; L137-V141 VanDerWaalsContact O-N 3.07Å; V141-M145 VanDerWaalsContact O-CB 3.28Å; V141-M145 WeakPolarHBondContact O-CB 3.21Å; V141-M145 PolarHBondContact O-N 2.78Å |
| 142 | G | 60.5 | Low | 58.8 | Low | 29 Ų | 29 | 105 Ų | 105 | 30% | 0.299 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.5 | -44.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W138 S139 M145 T146 | W138-G142 PolarHBondContact O-N 3.23Å; S139-G142 PolarHBondContact O-N 3.28Å; G142-M145 PolarHBondContact O-N 2.79Å; G142-T146 VanDerWaalsContact O-CB 3.31Å; G142-T146 WeakPolarHBondContact O-CB 3.16Å; G142-T146 PolarHBondContact O-N 2.99Å; G142-T146 PolarHBondContact O-OG1 3.4Å |
| 143 | D | 62 | Low | 58.7 | Low | 116 Ų | 116 | 104.2 Ų | 104.2 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.5 | -39 | 177 | -79.6 | -17.2 | 0 | 0 | 0 | 111.7 | S139 T146 G147 | S139-D143 WeakPolarHBondContact O-CB 3.16Å; S139-D143 PolarHBondContact O-N 3.01Å; D143-T146 PolarHBondContact O-N 2.69Å; D143-G147 PolarHBondContact O-N 2.83Å |
| 144 | V | 64.9 | Low | 58.3 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.2 | -40.8 | 174.8 | 170 | 0 | 0 | 0 | 0 | 111.1 | A140 F148 | A140-V144 WeakPolarHBondContact O-CB 3.33Å; A140-V144 WeakPolarHBondContact O-CG2 3.09Å; A140-V144 PolarHBondContact O-N 2.88Å; V144-F148 WeakPolarHBondContact O-CB 3.26Å; V144-F148 PolarHBondContact O-N 3.41Å |
| 145 | M | 65 | Low | 58.3 | Low | 108 Ų | 108 | 109 Ų | 109 | 53% | 0.532 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -75 | -33.1 | -179.4 | -153.7 | 69.7 | 178.6 | 0 | 0 | 112.3 | V141 G142 M149 | V141-M145 VanDerWaalsContact O-CB 3.28Å; V141-M145 WeakPolarHBondContact O-CB 3.21Å; V141-M145 PolarHBondContact O-N 2.78Å; G142-M145 PolarHBondContact O-N 2.79Å; M145-M149 HydrophobicContact CE-CE 4.17Å; M145-M149 WeakPolarHBondContact O-CB 3Å; M145-M149 VanDerWaalsContact O-CG 3.24Å; M145-M149 WeakPolarHBondContact O-CG 3.3Å; M145-M149 PolarHBondContact O-N 2.96Å |
| 146 | T | 63.6 | Low | 58.4 | Low | 86 Ų | 86 | 105.6 Ų | 105.6 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73 | -43.8 | 176.8 | -49.2 | 0 | 0 | 0 | 0 | 110.2 | G142 D143 F148 M149 E150 | G142-T146 VanDerWaalsContact O-CB 3.31Å; G142-T146 WeakPolarHBondContact O-CB 3.16Å; G142-T146 PolarHBondContact O-N 2.99Å; G142-T146 PolarHBondContact O-OG1 3.4Å; D143-T146 PolarHBondContact O-N 2.69Å; T146-F148 VanDerWaalsContact C-N 3.32Å; T146-F148 PolarHBondContact O-N 3.09Å; T146-M149 PolarHBondContact O-N 3.24Å; T146-E150 WeakPolarHBondContact O-CB 3.41Å; T146-E150 PolarHBondContact O-N 3.05Å |
| 147 | G | 63.2 | Low | 58.8 | Low | 31 Ų | 31 | 108.3 Ų | 108.3 | 32% | 0.32 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.1 | -38 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D143 E150 T151 | D143-G147 PolarHBondContact O-N 2.83Å; G147-E150 PolarHBondContact O-N 3.15Å; G147-T151 WeakPolarHBondContact O-CB 3.45Å; G147-T151 PolarHBondContact O-N 3.03Å; G147-T151 PolarHBondContact O-OG1 2.75Å |
| 148 | F | 63.7 | Low | 59.4 | Low | 125 Ų | 125 | 107.4 Ų | 107.4 | 55% | 0.548 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.6 | -39.7 | 174.8 | -168.6 | -98.1 | 0 | 0 | 0 | 112.3 | V144 T146 T151 V152 | V144-F148 WeakPolarHBondContact O-CB 3.26Å; V144-F148 PolarHBondContact O-N 3.41Å; T146-F148 VanDerWaalsContact C-N 3.32Å; T146-F148 PolarHBondContact O-N 3.09Å; F148-T151 PolarHBondContact O-N 3.18Å; F148-V152 HydrophobicContact CD1-CG2 4.13Å; F148-V152 HydrophobicContact CE1-CG2 3.9Å; F148-V152 HydrophobicContact CZ-CG2 4.14Å; F148-V152 WeakPolarHBondContact O-CB 2.97Å; F148-V152 WeakPolarHBondContact O-CG2 3.32Å; F148-V152 PolarHBondContact O-N 2.76Å; F148-V152 VanDerWaalsContact O-N 3.11Å |
| 149 | M | 67.5 | Low | 60.1 | Low | 94 Ų | 94 | 101.2 Ų | 101.2 | 46% | 0.463 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.9 | -36.3 | 176.5 | -73.8 | -74 | 154.1 | 0 | 0 | 112.5 | M145 T146 V152 L153 | M145-M149 HydrophobicContact CE-CE 4.17Å; M145-M149 WeakPolarHBondContact O-CB 3Å; M145-M149 VanDerWaalsContact O-CG 3.24Å; M145-M149 WeakPolarHBondContact O-CG 3.3Å; M145-M149 PolarHBondContact O-N 2.96Å; T146-M149 PolarHBondContact O-N 3.24Å; M149-V152 PolarHBondContact O-N 2.95Å; M149-L153 WeakPolarHBondContact O-CB 3.25Å; M149-L153 VanDerWaalsContact O-CD1 3.3Å; M149-L153 WeakPolarHBondContact O-CD1 3.4Å; M149-L153 PolarHBondContact O-N 2.77Å |
| 150 | E | 60.9 | Low | 60.6 | Low | 150 Ų | 150 | 102.4 Ų | 102.4 | 70% | 0.701 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.9 | -32.7 | 176.6 | -163.9 | 171.5 | 167.4 | 0 | 0 | 112.1 | T146 G147 | T146-E150 WeakPolarHBondContact O-CB 3.41Å; T146-E150 PolarHBondContact O-N 3.05Å; G147-E150 PolarHBondContact O-N 3.15Å |
| 151 | T | 60.3 | Low | 61 | Low | 109 Ų | 109 | 105.8 Ų | 105.8 | 67% | 0.669 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.8 | -20 | 176.3 | -41.7 | 0 | 0 | 0 | 0 | 113.1 | G147 F148 | G147-T151 WeakPolarHBondContact O-CB 3.45Å; G147-T151 PolarHBondContact O-N 3.03Å; G147-T151 PolarHBondContact O-OG1 2.75Å; F148-T151 PolarHBondContact O-N 3.18Å |
| 152 | V | 58.1 | Low | 61.1 | Low | 89 Ų | 89 | 107.5 Ų | 107.5 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -91.9 | -15.4 | 179.6 | 167.5 | 0 | 0 | 0 | 0 | 112.1 | F148 M149 | F148-V152 HydrophobicContact CD1-CG2 4.13Å; F148-V152 HydrophobicContact CE1-CG2 3.9Å; F148-V152 HydrophobicContact CZ-CG2 4.14Å; F148-V152 WeakPolarHBondContact O-CB 2.97Å; F148-V152 WeakPolarHBondContact O-CG2 3.32Å; F148-V152 PolarHBondContact O-N 2.76Å; F148-V152 VanDerWaalsContact O-N 3.11Å; M149-V152 PolarHBondContact O-N 2.95Å |
| 153 | L | 56.7 | Low | 61.2 | Low | 149 Ų | 149 | 114 Ų | 114 | 78% | 0.78 | 62% | 0.62 | S | S | * | * | | | trans | -103 | -0.3 | 179.9 | -95.7 | 111.7 | 0 | 0 | 0 | 115.2 | M149 | M149-L153 WeakPolarHBondContact O-CB 3.25Å; M149-L153 VanDerWaalsContact O-CD1 3.3Å; M149-L153 WeakPolarHBondContact O-CD1 3.4Å; M149-L153 PolarHBondContact O-N 2.77Å |
| 154 | D | 48.2 | Very low | 61.1 | Low | 206 Ų | 206 | 113.8 Ų | 113.8 | 100% | 1.102 | 62% | 0.62 | S | S | * | * | | | trans | -106.5 | 0 | 168.6 | -150.8 | -106.2 | 0 | 0 | 0 | 110.1 | | |