| 1 | M | 52.9 | Low | 60 | Low | 246 Ų | 246 | 148 Ų | 148 | 100% | 1.212 | 77% | 0.773 | S | S | * | * | | | | 0 | 116.4 | 0 | -70.4 | 168.7 | 173.2 | 0 | 0 | 106.5 | | |
| 2 | K | 56.2 | Low | 60.1 | Low | 182 Ų | 182 | 141.4 Ų | 141.4 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -71 | 133.8 | 176.4 | 58.2 | 178.8 | -175.5 | 162.4 | 0 | 108.1 | A4 | K2-A4 PolarHBondContact O-N 3.43Š|
| 3 | P | 54.3 | Low | 59.6 | Low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | | | trans | -63.2 | 133.4 | 174.5 | 26.1 | -30.8 | 0 | 0 | 0 | 108.6 | V5 | P3-V5 VanDerWaalsContact C-N 3.29Å; P3-V5 PolarHBondContact O-N 3.24Å |
| 4 | A | 62.9 | Low | 59.4 | Low | 66 Ų | 66 | 130.1 Ų | 130.1 | 55% | 0.545 | 74% | 0.739 | S | S | . | * | | | trans | -68.1 | 87.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | K2 | K2-A4 PolarHBondContact O-N 3.43Š|
| 5 | V | 54.7 | Low | 59.3 | Low | 101 Ų | 101 | 130.7 Ų | 130.7 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -71.6 | -18.3 | 163.9 | 166.9 | 0 | 0 | 0 | 0 | 110.5 | P3 E7 | P3-V5 VanDerWaalsContact C-N 3.29Å; P3-V5 PolarHBondContact O-N 3.24Å; V5-E7 PolarHBondContact O-N 3.41Å; V5-E7 VanDerWaalsContact O-N 3.17Å |
| 6 | D | 58.6 | Low | 59 | Low | 123 Ų | 123 | 135 Ų | 135 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -69.5 | -2.7 | 179.8 | -80.8 | -11.9 | 0 | 0 | 0 | 115.1 | | |
| 7 | E | 61.8 | Low | 58.6 | Low | 173 Ų | 173 | 133.1 Ų | 133.1 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -114.1 | -8.8 | -178.8 | -78 | -179 | 178.3 | 0 | 0 | 114.6 | V5 | V5-E7 PolarHBondContact O-N 3.41Å; V5-E7 VanDerWaalsContact O-N 3.17Å |
| 8 | M | 61.1 | Low | 58.3 | Low | 163 Ų | 163 | 130.9 Ų | 130.9 | 80% | 0.803 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -91.2 | -7.4 | -179.9 | -89.8 | 179.6 | 177.7 | 0 | 0 | 114.2 | | |
| 9 | F | 65.2 | Low | 58.1 | Low | 151 Ų | 151 | 132.1 Ų | 132.1 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -125.5 | 117 | 178.1 | -63.3 | -78 | 0 | 0 | 0 | 108.8 | E11 | F9-E11 PolarHBondContact O-N 3.33Š|
| 10 | P | 66.4 | Low | 57.9 | Low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | | | trans | -61.2 | 107.9 | 171.3 | 23.6 | -29.8 | 0 | 0 | 0 | 108 | G12 | P10-G12 PolarHBondContact O-N 2.85Š|
| 11 | E | 65.8 | Low | 57.7 | Low | 187 Ų | 187 | 134.9 Ų | 134.9 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | | | trans | -65.6 | 85.4 | 166.2 | -73.6 | -164.8 | 155.3 | 0 | 0 | 108.1 | F9 | F9-E11 PolarHBondContact O-N 3.33Š|
| 12 | G | 61.5 | Low | 57.7 | Low | 69 Ų | 69 | 126.2 Ų | 126.2 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | | | trans | 162.5 | 73.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | P10 | P10-G12 PolarHBondContact O-N 2.85Š|
| 13 | A | 53.9 | Low | 57.7 | Low | 75 Ų | 75 | 120.3 Ų | 120.3 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | | | | -135.9 | 113.8 | 126 | 0 | 0 | 0 | 0 | 0 | 106.7 | V17 | A13-V17 HydrophobicContact CB-CG2 3.68Š|
| 14 | G | 56.8 | Low | 57.7 | Low | 50 Ų | 50 | 117.5 Ų | 117.5 | 52% | 0.515 | 69% | 0.69 | S | S | . | * | | | trans | -65.1 | -169.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y16 | G14-Y16 PolarHBondContact O-N 2.92Š|
| 15 | P | 57.6 | Low | 57.3 | Low | 139 Ų | 139 | 117.3 Ų | 117.3 | 90% | 0.903 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -62.8 | 14.5 | -174.7 | -20.1 | 32.5 | 0 | 0 | 0 | 116.9 | | |
| 16 | Y | 53.7 | Low | 57.5 | Low | 199 Ų | 199 | 116.1 Ų | 116.1 | 78% | 0.78 | 68% | 0.681 | S | S | * | * | | | trans | -137.4 | 70.7 | 174.9 | -94.6 | -99.2 | 0 | 0 | 0 | 107.9 | G14 D18 | G14-Y16 PolarHBondContact O-N 2.92Å; Y16-D18 VanDerWaalsContact C-N 3.28Å; Y16-D18 PolarHBondContact O-N 3.17Å |
| 17 | V | 53.1 | Low | 57.5 | Low | 102 Ų | 102 | 112 Ų | 112 | 62% | 0.618 | 67% | 0.668 | S | S | * | * | | | trans | -73.1 | 102.8 | 143.3 | -164 | 0 | 0 | 0 | 0 | 102.6 | A13 L19 | A13-V17 HydrophobicContact CB-CG2 3.68Å; V17-L19 WeakPolarHBondContact O-CD1 3.2Å; V17-L19 PolarHBondContact O-N 3.49Å |
| 18 | D | 53.3 | Low | 57.3 | Low | 95 Ų | 95 | 109.6 Ų | 109.6 | 51% | 0.508 | 66% | 0.66 | S | S | . | * | | | trans | -53.2 | 114.2 | 175.3 | -92.2 | -31.3 | 0 | 0 | 0 | 107.5 | Y16 D20 E21 | Y16-D18 VanDerWaalsContact C-N 3.28Å; Y16-D18 PolarHBondContact O-N 3.17Å; D18-D20 HydrophobicContact CB-CB 4.34Å; D18-D20 PolarHBondContact O-N 3.22Å; D18-E21 PolarHBondContact O-N 3.07Å |
| 19 | L | 54.3 | Low | 57.3 | Low | 152 Ų | 152 | 107.1 Ų | 107.1 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -60.3 | -0.6 | 172.3 | -92.3 | 74.5 | 0 | 0 | 0 | 111.9 | V17 E21 A22 | V17-L19 WeakPolarHBondContact O-CD1 3.2Å; V17-L19 PolarHBondContact O-N 3.49Å; L19-E21 PolarHBondContact O-N 2.91Å; L19-A22 WeakPolarHBondContact O-CB 3.49Å; L19-A22 PolarHBondContact O-N 2.97Å; L19-A22 VanDerWaalsContact O-N 3.07Å |
| 20 | D | 53 | Low | 57.2 | Low | 141 Ų | 141 | 106.9 Ų | 106.9 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -73.1 | -12.4 | 174.7 | -61.6 | -34.2 | 0 | 0 | 0 | 112.9 | D18 A22 | D18-D20 HydrophobicContact CB-CB 4.34Å; D18-D20 PolarHBondContact O-N 3.22Å; D20-A22 PolarHBondContact O-N 3.3Å |
| 21 | E | 55.6 | Low | 56.8 | Low | 182 Ų | 182 | 106.4 Ų | 106.4 | 85% | 0.85 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -87.7 | 24.4 | 163.5 | -164.8 | 141.3 | -160 | 0 | 0 | 112.6 | D18 L19 G23 | D18-E21 PolarHBondContact O-N 3.07Å; L19-E21 PolarHBondContact O-N 2.91Å; E21-G23 PolarHBondContact O-N 2.91Å |
| 22 | A | 52.2 | Low | 56.4 | Low | 64 Ų | 64 | 103.3 Ų | 103.3 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -77.2 | 14.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L19 D20 G24 S25 | L19-A22 WeakPolarHBondContact O-CB 3.49Å; L19-A22 PolarHBondContact O-N 2.97Å; L19-A22 VanDerWaalsContact O-N 3.07Å; D20-A22 PolarHBondContact O-N 3.3Å; A22-G24 PolarHBondContact O-N 2.7Å; A22-S25 PolarHBondContact O-OG 2.87Å |
| 23 | G | 55.1 | Low | 56.3 | Low | 58 Ų | 58 | 102.9 Ų | 102.9 | 60% | 0.598 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -69.1 | -3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E21 | E21-G23 PolarHBondContact O-N 2.91Š|
| 24 | G | 54.5 | Low | 56.6 | Low | 52 Ų | 52 | 103.5 Ų | 103.5 | 54% | 0.536 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -86.9 | -21 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A22 L28 | A22-G24 PolarHBondContact O-N 2.7Å; G24-L28 WeakPolarHBondContact O-CD1 3.4Å; G24-L28 WeakPolarHBondContact O-CG 3.19Å |
| 25 | S | 55.1 | Low | 56.7 | Low | 63 Ų | 63 | 105 Ų | 105 | 44% | 0.441 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -92.9 | -23.3 | -174.9 | 64.8 | 0 | 0 | 0 | 0 | 113.7 | A22 G27 L28 L29 | A22-S25 PolarHBondContact O-OG 2.87Å; S25-G27 PolarHBondContact O-N 3.03Å; S25-L28 PolarHBondContact O-N 3.48Å; S25-L29 WeakPolarHBondContact O-CB 3.44Å; S25-L29 VanDerWaalsContact O-CG 3.22Å; S25-L29 WeakPolarHBondContact O-CG 3.22Å; S25-L29 PolarHBondContact O-N 3.26Å |
| 26 | S | 57.9 | Low | 56.7 | Low | 75 Ų | 75 | 105.2 Ų | 105.2 | 52% | 0.524 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.7 | -38.2 | -179.9 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | M30 | S26-M30 WeakPolarHBondContact O-CB 3.42Å; S26-M30 PolarHBondContact O-N 2.94Å |
| 27 | G | 59 | Low | 57 | Low | 38 Ų | 38 | 104.3 Ų | 104.3 | 39% | 0.392 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.8 | -41.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S25 L29 M30 D31 | S25-G27 PolarHBondContact O-N 3.03Å; G27-L29 PolarHBondContact O-N 3.38Å; G27-M30 PolarHBondContact O-N 3.06Å; G27-D31 WeakPolarHBondContact O-CB 3.43Å; G27-D31 PolarHBondContact O-N 3.4Å |
| 28 | L | 59 | Low | 57.2 | Low | 122 Ų | 122 | 102.2 Ų | 102.2 | 64% | 0.639 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.6 | -38.4 | 176.5 | -67.7 | 173.3 | 0 | 0 | 0 | 112.3 | G24 S25 L32 | G24-L28 WeakPolarHBondContact O-CD1 3.4Å; G24-L28 WeakPolarHBondContact O-CG 3.19Å; S25-L28 PolarHBondContact O-N 3.48Å; L28-L32 PolarHBondContact O-N 3.48Å; L28-L32 WeakPolarHBondContact O-CB 3.06Å |
| 29 | L | 60.5 | Low | 57.3 | Low | 111 Ų | 111 | 102.4 Ų | 102.4 | 58% | 0.581 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.5 | -34.5 | 175.3 | -68.3 | 175.9 | 0 | 0 | 0 | 112 | S25 G27 L32 A33 | S25-L29 WeakPolarHBondContact O-CB 3.44Å; S25-L29 VanDerWaalsContact O-CG 3.22Å; S25-L29 WeakPolarHBondContact O-CG 3.22Å; S25-L29 PolarHBondContact O-N 3.26Å; G27-L29 PolarHBondContact O-N 3.38Å; L29-L32 PolarHBondContact O-N 3.49Å; L29-A33 WeakPolarHBondContact O-CB 3.36Å; L29-A33 PolarHBondContact O-N 3.04Å |
| 30 | M | 61.9 | Low | 57.5 | Low | 145 Ų | 145 | 100.9 Ų | 100.9 | 71% | 0.714 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.1 | -42.6 | 174.9 | -146 | 110.6 | -176.4 | 0 | 0 | 111.4 | S26 G27 L32 A34 | S26-M30 WeakPolarHBondContact O-CB 3.42Å; S26-M30 PolarHBondContact O-N 2.94Å; G27-M30 PolarHBondContact O-N 3.06Å; M30-L32 VanDerWaalsContact C-N 3.34Å; M30-A34 WeakPolarHBondContact O-CB 3.2Å; M30-A34 PolarHBondContact O-N 2.89Å |
| 31 | D | 58.4 | Low | 57.7 | Low | 116 Ų | 116 | 97.9 Ų | 97.9 | 62% | 0.62 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67 | -35.3 | 174.9 | -82 | -9.1 | 0 | 0 | 0 | 111.6 | G27 N35 | G27-D31 WeakPolarHBondContact O-CB 3.43Å; G27-D31 PolarHBondContact O-N 3.4Å; D31-N35 WeakPolarHBondContact O-CB 3.42Å; D31-N35 PolarHBondContact O-N 2.94Å |
| 32 | L | 58 | Low | 57.9 | Low | 121 Ų | 121 | 96.4 Ų | 96.4 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.4 | -43.1 | 176.1 | -173.6 | 60.4 | 0 | 0 | 0 | 112.3 | L28 L29 M30 N35 | L28-L32 PolarHBondContact O-N 3.48Å; L28-L32 WeakPolarHBondContact O-CB 3.06Å; L29-L32 PolarHBondContact O-N 3.49Å; M30-L32 VanDerWaalsContact C-N 3.34Å; L32-N35 CarbonylContact O-C 3.55Å; L32-N35 PolarHBondContact O-N 3.31Å |
| 33 | A | 59.5 | Low | 58.3 | Low | 60 Ų | 60 | 99.8 Ų | 99.8 | 50% | 0.496 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.4 | -32.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L29 N35 | L29-A33 WeakPolarHBondContact O-CB 3.36Å; L29-A33 PolarHBondContact O-N 3.04Å; A33-N35 VanDerWaalsContact C-N 3.28Å |
| 34 | A | 60.6 | Low | 58.6 | Low | 89 Ų | 89 | 105.1 Ų | 105.1 | 74% | 0.736 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.3 | -17.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M30 | M30-A34 WeakPolarHBondContact O-CB 3.2Å; M30-A34 PolarHBondContact O-N 2.89Å |
| 35 | N | 58.8 | Low | 59 | Low | 80 Ų | 80 | 106.2 Ų | 106.2 | 43% | 0.428 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.2 | 32.1 | 177 | -165.1 | 10.1 | 0 | 0 | 0 | 112.9 | D31 L32 A33 K37 A38 | D31-N35 WeakPolarHBondContact O-CB 3.42Å; D31-N35 PolarHBondContact O-N 2.94Å; L32-N35 CarbonylContact O-C 3.55Å; L32-N35 PolarHBondContact O-N 3.31Å; A33-N35 VanDerWaalsContact C-N 3.28Å; N35-K37 PolarHBondContact O-N 3.39Å; N35-A38 WeakPolarHBondContact OD1-CB 2.92Å; N35-A38 PolarHBondContact OD1-N 3.25Å |
| 36 | E | 56.7 | Low | 59.5 | Low | 144 Ų | 144 | 106.6 Ų | 106.6 | 67% | 0.673 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 4.2 | 174 | -91.1 | -178.4 | 176.7 | 0 | 0 | 114.1 | H40 | E36-H40 PolarHBondContact O-CD2 2.93Å; E36-H40 VanDerWaalsContact O-CD2 3.25Å |
| 37 | K | 59.9 | Low | 59.9 | Low | 180 Ų | 180 | 108.2 Ų | 108.2 | 78% | 0.783 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | -16.2 | -177.2 | -77.7 | -167.5 | 177.2 | -173.1 | 0 | 116.6 | N35 | N35-K37 PolarHBondContact O-N 3.39Š|
| 38 | A | 57 | Low | 60.1 | Low | 59 Ų | 59 | 114.1 Ų | 114.1 | 49% | 0.488 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | -19.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N35 | N35-A38 WeakPolarHBondContact OD1-CB 2.92Å; N35-A38 PolarHBondContact OD1-N 3.25Å |
| 39 | V | 55.8 | Low | 60.5 | Low | 98 Ų | 98 | 113.3 Ų | 113.3 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -6.6 | 177.8 | -76.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 40 | H | 59 | Low | 60.9 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 56% | 0.556 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -9.1 | -176.4 | -59.3 | -50.2 | 0 | 0 | 0 | 113.9 | E36 | E36-H40 PolarHBondContact O-CD2 2.93Å; E36-H40 VanDerWaalsContact O-CD2 3.25Å |
| 41 | S | 57.3 | Low | 61.1 | Low | 78 Ų | 78 | 114.7 Ų | 114.7 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -77.1 | -34 | 178.5 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 42 | D | 59.4 | Low | 61.5 | Low | 151 Ų | 151 | 112.5 Ų | 112.5 | 81% | 0.807 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -104.5 | -11.4 | -173.4 | -60.1 | 1.8 | 0 | 0 | 0 | 111.9 | F44 | D42-F44 PolarHBondContact O-N 2.89Š|
| 43 | F | 61.4 | Low | 61.8 | Low | 135 Ų | 135 | 112.9 Ų | 112.9 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -96.7 | 72.7 | 169 | -163.6 | -104.2 | 0 | 0 | 0 | 107.8 | N45 | F43-N45 VanDerWaalsContact C-N 3.35Å; F43-N45 VanDerWaalsContact CD1-OD1 3.23Å; F43-N45 WeakPolarHBondContact CD1-OD1 2.96Å; F43-N45 WeakPolarHBondContact CE1-OD1 3.23Å; F43-N45 PolarHBondContact O-N 3.44Å |
| 44 | F | 61.1 | Low | 62.1 | Low | 171 Ų | 171 | 115.8 Ų | 115.8 | 75% | 0.75 | 60% | 0.6 | S | S | * | * | | | trans | -62.1 | 101.2 | 174.2 | -159.1 | -97.1 | 0 | 0 | 0 | 107.4 | D42 D46 | D42-F44 PolarHBondContact O-N 2.89Å; F44-D46 HydrophobicContact CD1-CB 3.87Å; F44-D46 PolarHBondContact O-N 2.91Å; F44-D46 HydrophobicContact CE1-CB 4.07Å |
| 45 | N | 63.1 | Low | 62.4 | Low | 74 Ų | 74 | 117.6 Ų | 117.6 | 40% | 0.396 | 60% | 0.597 | S | S | . | * | | | trans | -74.5 | 71.6 | 175.7 | -85 | -48.2 | 0 | 0 | 0 | 108.7 | F43 F47 | F43-N45 VanDerWaalsContact C-N 3.35Å; F43-N45 VanDerWaalsContact CD1-OD1 3.23Å; F43-N45 WeakPolarHBondContact CD1-OD1 2.96Å; F43-N45 WeakPolarHBondContact CE1-OD1 3.23Å; F43-N45 PolarHBondContact O-N 3.44Å; N45-F47 HydrophobicContact CB-CD2 3.81Å; N45-F47 HydrophobicContact CB-CE2 3.4Å; N45-F47 HydrophobicContact CB-CZ 3.85Å; N45-F47 PolarHBondContact O-N 2.97Å; N45-F47 WeakPolarHBondContact OD1-CZ 3.2Å |
| 46 | D | 64.3 | Low | 62.7 | Low | 71 Ų | 71 | 120.5 Ų | 120.5 | 38% | 0.38 | 61% | 0.612 | S | S | . | * | | | trans | -77.5 | 76.2 | 169.1 | -143.4 | -19.6 | 0 | 0 | 0 | 108.8 | F44 E48 | F44-D46 HydrophobicContact CD1-CB 3.87Å; F44-D46 PolarHBondContact O-N 2.91Å; F44-D46 HydrophobicContact CE1-CB 4.07Å; D46-E48 PolarHBondContact O-N 3.23Å |
| 47 | F | 66.4 | Low | 63 | Low | 109 Ų | 109 | 125.3 Ų | 125.3 | 48% | 0.478 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.7 | -5.7 | 175.5 | -64 | -64.6 | 0 | 0 | 0 | 111.9 | N45 D49 L50 F51 | N45-F47 HydrophobicContact CB-CD2 3.81Å; N45-F47 HydrophobicContact CB-CE2 3.4Å; N45-F47 HydrophobicContact CB-CZ 3.85Å; N45-F47 PolarHBondContact O-N 2.97Å; N45-F47 WeakPolarHBondContact OD1-CZ 3.2Å; F47-D49 VanDerWaalsContact C-N 3.33Å; F47-L50 PolarHBondContact O-N 3.3Å; F47-L50 HydrophobicContact CE1-CD2 4.3Å; F47-L50 HydrophobicContact CD1-CB 4.49Å; F47-L50 HydrophobicContact CD1-CD2 3.79Å; F47-F51 HydrophobicContact CB-CD2 4.49Å; F47-F51 HydrophobicContact CB-CE2 4.29Å; F47-F51 WeakPolarHBondContact O-CD2 3.17Å; F47-F51 PolarHBondContact O-N 3.41Å |
| 48 | E | 63.9 | Low | 63.1 | Low | 162 Ų | 162 | 122.6 Ų | 122.6 | 76% | 0.757 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -41.5 | 172.8 | -64.3 | -160 | 170.6 | 0 | 0 | 110.5 | D46 L50 F51 D52 | D46-E48 PolarHBondContact O-N 3.23Å; E48-L50 VanDerWaalsContact C-N 3.28Å; E48-L50 PolarHBondContact O-N 3.27Å; E48-F51 PolarHBondContact O-N 3.4Å; E48-D52 PolarHBondContact O-N 3.35Å |
| 49 | D | 67.6 | Low | 63.4 | Low | 106 Ų | 106 | 125.9 Ų | 125.9 | 57% | 0.567 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -65.7 | -27.1 | 173.2 | -68.7 | -4.2 | 0 | 0 | 0 | 112.8 | F47 F51 | F47-D49 VanDerWaalsContact C-N 3.33Å; D49-F51 VanDerWaalsContact C-N 3.33Å; D49-F51 PolarHBondContact O-N 3.5Å |
| 50 | L | 69.8 | Low | 63.8 | Low | 123 Ų | 123 | 127.5 Ų | 127.5 | 64% | 0.644 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -75.6 | -23.6 | -177.3 | -174 | 61 | 0 | 0 | 0 | 112.9 | F47 E48 | F47-L50 PolarHBondContact O-N 3.3Å; F47-L50 HydrophobicContact CE1-CD2 4.3Å; F47-L50 HydrophobicContact CD1-CB 4.49Å; F47-L50 HydrophobicContact CD1-CD2 3.79Å; E48-L50 VanDerWaalsContact C-N 3.28Å; E48-L50 PolarHBondContact O-N 3.27Å |
| 51 | F | 64.3 | Low | 64.1 | Low | 161 Ų | 161 | 127.9 Ų | 127.9 | 71% | 0.706 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -111.1 | 10.2 | 178.9 | -61.6 | -68.6 | 0 | 0 | 0 | 112.8 | F47 E48 D49 D53 | F47-F51 HydrophobicContact CB-CD2 4.49Å; F47-F51 HydrophobicContact CB-CE2 4.29Å; F47-F51 WeakPolarHBondContact O-CD2 3.17Å; F47-F51 PolarHBondContact O-N 3.41Å; E48-F51 PolarHBondContact O-N 3.4Å; D49-F51 VanDerWaalsContact C-N 3.33Å; D49-F51 PolarHBondContact O-N 3.5Å; F51-D53 VanDerWaalsContact O-N 3.14Å; F51-D53 PolarHBondContact O-N 3.15Å |
| 52 | D | 68.4 | Low | 64.6 | Low | 71 Ų | 71 | 131.1 Ų | 131.1 | 38% | 0.38 | 65% | 0.647 | S | S | . | * | | | trans | -76.6 | 100.5 | 173.6 | -158.9 | -11.5 | 0 | 0 | 0 | 109.8 | E48 D54 D55 | E48-D52 PolarHBondContact O-N 3.35Å; D52-D54 PolarHBondContact O-N 3.08Å; D52-D54 VanDerWaalsContact O-N 3.15Å; D52-D54 VanDerWaalsContact OD1-CB 3.25Å; D52-D54 WeakPolarHBondContact OD1-CB 3.25Å; D52-D54 PolarHBondContact OD1-N 3.26Å; D52-D54 VanDerWaalsContact OD1-N 3.08Å; D52-D55 PolarHBondContact O-N 3.14Å |
| 53 | D | 63.4 | Low | 64.9 | Low | 128 Ų | 128 | 129.7 Ų | 129.7 | 68% | 0.684 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -63 | -13.1 | 175.6 | -75.7 | -29 | 0 | 0 | 0 | 111.8 | F51 D55 L56 | F51-D53 VanDerWaalsContact O-N 3.14Å; F51-D53 PolarHBondContact O-N 3.15Å; D53-D55 VanDerWaalsContact C-N 3.28Å; D53-D55 PolarHBondContact O-N 3.3Å; D53-L56 PolarHBondContact O-N 3.35Å |
| 54 | D | 66.7 | Low | 65.2 | Low | 122 Ų | 122 | 129.4 Ų | 129.4 | 65% | 0.652 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -70.3 | -21.4 | 176.8 | -70.2 | -26.1 | 0 | 0 | 0 | 112.8 | D52 | D52-D54 PolarHBondContact O-N 3.08Å; D52-D54 VanDerWaalsContact O-N 3.15Å; D52-D54 VanDerWaalsContact OD1-CB 3.25Å; D52-D54 WeakPolarHBondContact OD1-CB 3.25Å; D52-D54 PolarHBondContact OD1-N 3.26Å; D52-D54 VanDerWaalsContact OD1-N 3.08Å |
| 55 | D | 66.2 | Low | 65.5 | Low | 126 Ų | 126 | 126.2 Ų | 126.2 | 67% | 0.674 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -83.6 | -10.1 | 175.9 | -85.1 | -13 | 0 | 0 | 0 | 113.6 | D52 D53 Q57 | D52-D55 PolarHBondContact O-N 3.14Å; D53-D55 VanDerWaalsContact C-N 3.28Å; D53-D55 PolarHBondContact O-N 3.3Å; D55-Q57 VanDerWaalsContact C-N 3.28Å; D55-Q57 PolarHBondContact O-N 3.45Å |
| 56 | L | 65.9 | Low | 65.7 | Low | 141 Ų | 141 | 130.5 Ų | 130.5 | 74% | 0.738 | 65% | 0.651 | S | S | * | * | | | trans | -88.1 | 25.9 | -177.8 | -73.6 | 170.7 | 0 | 0 | 0 | 114.2 | D53 | D53-L56 PolarHBondContact O-N 3.35Š|
| 57 | Q | 61.2 | Low | 65.8 | Low | 246 Ų | 246 | 135.9 Ų | 135.9 | 100% | 1.15 | 68% | 0.675 | S | S | * | * | | | trans | -73 | 0 | 179.7 | -74.4 | -169.9 | -27.6 | 0 | 0 | 115.4 | D55 | D55-Q57 VanDerWaalsContact C-N 3.28Å; D55-Q57 PolarHBondContact O-N 3.45Å |