| 1 | M | 36.6 | Very low | 46.5 | Very low | 244 Ų | 244 | 137.6 Ų | 137.6 | 100% | 1.202 | 80% | 0.798 | S | S | * | * | | | | 0 | 108.2 | 0 | -69.5 | 177.9 | 176 | 0 | 0 | 105.7 | | |
| 2 | T | 43.9 | Very low | 46.4 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | | | trans | -122.8 | 104.4 | -174.5 | -33.4 | 0 | 0 | 0 | 0 | 105.9 | | |
| 3 | E | 43.8 | Very low | 46.7 | Very low | 183 Ų | 183 | 133.8 Ų | 133.8 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 137.3 | -177.6 | -68.9 | 177.1 | 160.7 | 0 | 0 | 110.2 | | |
| 4 | P | 50.1 | Low | 46.6 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 146.2 | 176.7 | 28.4 | -33 | 0 | 0 | 0 | 110.8 | S6 | P4-S6 PolarHBondContact O-N 3.44Š|
| 5 | P | 50.4 | Low | 46.4 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125.4 | -173.8 | 25.8 | -33.6 | 0 | 0 | 0 | 111 | | |
| 6 | S | 47.1 | Very low | 46.1 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 59% | 0.587 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61 | 133.3 | 179.4 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | P4 D8 A9 | P4-S6 PolarHBondContact O-N 3.44Å; S6-D8 PolarHBondContact O-N 3.31Å; S6-A9 PolarHBondContact O-N 2.67Å |
| 7 | E | 54.1 | Low | 45.7 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | G | 310 helix | trans | -63.4 | -12.1 | -178.1 | -65.5 | -179 | 151.8 | 0 | 0 | 113.2 | A9 I10 | E7-A9 PolarHBondContact O-N 3.39Å; E7-I10 PolarHBondContact O-N 2.96Å |
| 8 | D | 49.3 | Very low | 45.1 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | G | 310 helix | trans | -66.8 | -12.7 | 176.4 | -66.3 | -30.7 | 0 | 0 | 0 | 114 | S6 I10 | S6-D8 PolarHBondContact O-N 3.31Å; D8-I10 PolarHBondContact O-N 3.27Å |
| 9 | A | 49.4 | Very low | 44.4 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | G | 310 helix | trans | -72 | -15.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | S6 E7 G11 | S6-A9 PolarHBondContact O-N 2.67Å; E7-A9 PolarHBondContact O-N 3.39Å; A9-G11 PolarHBondContact O-N 3.07Å |
| 10 | I | 45.8 | Very low | 44.4 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -97.7 | 72 | -178.9 | -48.4 | 176.2 | 0 | 0 | 0 | 108.2 | E7 D8 | E7-I10 PolarHBondContact O-N 2.96Å; D8-I10 PolarHBondContact O-N 3.27Å |
| 11 | G | 40.8 | Very low | 44 | Very low | 53 Ų | 53 | 138.7 Ų | 138.7 | 55% | 0.546 | 81% | 0.806 | S | S | . | * | | | trans | -51.3 | 146.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A9 A13 | A9-G11 PolarHBondContact O-N 3.07Å; G11-A13 PolarHBondContact O-N 3.21Å |
| 12 | P | 45.1 | Very low | 44.2 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -61.6 | 138.8 | -169.4 | 22.9 | -32.8 | 0 | 0 | 0 | 112.1 | S14 | P12-S14 PolarHBondContact O-N 3.4Š|
| 13 | A | 50.9 | Low | 43.8 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -54.5 | 95 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G11 K15 | G11-A13 PolarHBondContact O-N 3.21Å; A13-K15 PolarHBondContact O-N 3.46Å |
| 14 | S | 45.3 | Very low | 43.5 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | -62.1 | 107.2 | 173 | 62.8 | 0 | 0 | 0 | 0 | 108.9 | P12 R16 | P12-S14 PolarHBondContact O-N 3.4Å; S14-R16 VanDerWaalsContact C-N 3.3Å; S14-R16 PolarHBondContact O-N 3.45Å |
| 15 | K | 43 | Very low | 43 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | | | trans | -62.5 | 87.2 | 173.7 | -75.1 | 176 | 177.1 | 175.8 | 0 | 109.4 | A13 L17 | A13-K15 PolarHBondContact O-N 3.46Å; K15-L17 PolarHBondContact O-N 2.88Å |
| 16 | R | 42.2 | Very low | 42.2 | Very low | 228 Ų | 228 | 135.6 Ų | 135.6 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | -83.2 | 93.7 | 167.1 | -75.9 | -173.4 | 158.5 | -154.4 | -5 | 109.3 | S14 G18 | S14-R16 VanDerWaalsContact C-N 3.3Å; S14-R16 PolarHBondContact O-N 3.45Å; R16-G18 PolarHBondContact O-N 3.37Å |
| 17 | L | 39.3 | Very low | 41.7 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 126.1 | 161.8 | -121.9 | 83.2 | 0 | 0 | 0 | 108.7 | K15 | K15-L17 PolarHBondContact O-N 2.88Š|
| 18 | G | 34 | Very low | 41 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.2 | 13.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | R16 | R16-G18 PolarHBondContact O-N 3.37Š|
| 19 | G | 32.7 | Very low | 40.8 | Very low | 61 Ų | 61 | 142.3 Ų | 142.3 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -119.6 | 118.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G21 | G19-G21 VanDerWaalsContact C-N 3.3Å; G19-G21 WeakPolarHBondContact O-CA 3.48Å; G19-G21 PolarHBondContact O-N 2.98Å |
| 20 | R | 43.7 | Very low | 40.4 | Very low | 257 Ų | 257 | 146.4 Ų | 146.4 | 97% | 0.97 | 78% | 0.778 | S | S | * | * | | | trans | -38.3 | 91.3 | 177.8 | -65.7 | 178 | -171.2 | -173.7 | 2.1 | 110.8 | R22 | R20-R22 PolarHBondContact O-N 2.81Š|
| 21 | G | 35.6 | Very low | 40 | Very low | 66 Ų | 66 | 144.6 Ų | 144.6 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | trans | -67 | 108.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | G19 M23 | G19-G21 VanDerWaalsContact C-N 3.3Å; G19-G21 WeakPolarHBondContact O-CA 3.48Å; G19-G21 PolarHBondContact O-N 2.98Å; G21-M23 PolarHBondContact O-N 2.97Å |
| 22 | R | 41.5 | Very low | 40 | Very low | 228 Ų | 228 | 146.2 Ų | 146.2 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -49 | 111.8 | 162.5 | -67.7 | -175.9 | 171.7 | -142.9 | -1.9 | 104.9 | R20 N24 | R20-R22 PolarHBondContact O-N 2.81Å; R22-N24 PolarHBondContact O-N 2.72Å |
| 23 | M | 35.7 | Very low | 39.5 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | -56.9 | 94.8 | 164.7 | -81.7 | 170.3 | 149.8 | 0 | 0 | 104.5 | G21 F25 | G21-M23 PolarHBondContact O-N 2.97Å; M23-F25 HydrophobicContact CB-CD2 4.08Å; M23-F25 HydrophobicContact CB-CE2 3.96Å; M23-F25 PolarHBondContact O-N 2.86Å; M23-F25 HydrophobicContact SD-CE2 4.42Å |
| 24 | N | 36.7 | Very low | 38.9 | Very low | 150 Ų | 150 | 152 Ų | 152 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -64.1 | 88.3 | 158.8 | -76.3 | -21.6 | 0 | 0 | 0 | 103 | R22 G26 | R22-N24 PolarHBondContact O-N 2.72Å; N24-G26 PolarHBondContact O-N 3.33Å |
| 25 | F | 40.9 | Very low | 38.3 | Very low | 148 Ų | 148 | 155 Ų | 155 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | trans | -52.8 | 101.7 | 156 | -79.7 | -89.1 | 0 | 0 | 0 | 103.5 | M23 F27 | M23-F25 HydrophobicContact CB-CD2 4.08Å; M23-F25 HydrophobicContact CB-CE2 3.96Å; M23-F25 PolarHBondContact O-N 2.86Å; M23-F25 HydrophobicContact SD-CE2 4.42Å; F25-F27 HydrophobicContact CB-CD2 4.36Å; F25-F27 HydrophobicContact CB-CE2 4.26Å; F25-F27 WeakPolarHBondContact O-CD2 3.38Å; F25-F27 PolarHBondContact O-N 3.1Å |
| 26 | G | 33.3 | Very low | 38.1 | Very low | 61 Ų | 61 | 150.8 Ų | 150.8 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | | | trans | -58.9 | 87.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 104.4 | N24 Y28 | N24-G26 PolarHBondContact O-N 3.33Å; G26-Y28 PolarHBondContact O-N 2.9Å |
| 27 | F | 37.4 | Very low | 37.8 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | | | trans | -59.6 | 100.8 | 168 | -84.3 | -71.1 | 0 | 0 | 0 | 103.8 | F25 K29 Q31 | F25-F27 HydrophobicContact CB-CD2 4.36Å; F25-F27 HydrophobicContact CB-CE2 4.26Å; F25-F27 WeakPolarHBondContact O-CD2 3.38Å; F25-F27 PolarHBondContact O-N 3.1Å; F27-K29 PolarHBondContact O-N 2.96Å; F27-K29 VanDerWaalsContact O-N 3.12Å; F27-Q31 VanDerWaalsContact CD1-CD 3.49Å; F27-Q31 HydrophobicContact CD1-CG 4.42Å |
| 28 | Y | 39.4 | Very low | 37.9 | Very low | 196 Ų | 196 | 143.8 Ų | 143.8 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | trans | -21.8 | 116.7 | 161.7 | -60.3 | -90.1 | 0 | 0 | 0 | 107.9 | G26 E30 Q31 | G26-Y28 PolarHBondContact O-N 2.9Å; Y28-E30 PolarHBondContact O-N 2.86Å; Y28-Q31 PolarHBondContact O-N 2.75Å |
| 29 | K | 44.4 | Very low | 38.1 | Very low | 219 Ų | 219 | 148.1 Ų | 148.1 | 95% | 0.952 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 8.7 | 175.6 | -78.6 | -179.8 | 172.7 | 179.4 | 0 | 113.2 | F27 | F27-K29 PolarHBondContact O-N 2.96Å; F27-K29 VanDerWaalsContact O-N 3.12Å |
| 30 | E | 40.9 | Very low | 38.3 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 26.6 | 178.2 | -60.6 | -178 | 174.5 | 0 | 0 | 111.4 | Y28 P32 | Y28-E30 PolarHBondContact O-N 2.86Å; E30-P32 WeakPolarHBondContact O-CD 3.01Å |
| 31 | Q | 37.7 | Very low | 38 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 51% | 0.514 | 72% | 0.72 | S | S | . | * | | | trans | -60.3 | 121.6 | 160.3 | -69 | -163.9 | -46.6 | 0 | 0 | 107.1 | F27 Y28 H33 | F27-Q31 VanDerWaalsContact CD1-CD 3.49Å; F27-Q31 HydrophobicContact CD1-CG 4.42Å; Y28-Q31 PolarHBondContact O-N 2.75Å; Q31-H33 PolarHBondContact O-N 2.88Å; Q31-H33 VanDerWaalsContact O-N 3.11Å |
| 32 | P | 39.9 | Very low | 38.1 | Very low | 87 Ų | 87 | 146.8 Ų | 146.8 | 57% | 0.565 | 70% | 0.704 | S | S | * | * | | | trans | -54.4 | 129.1 | -179.4 | 22.6 | -31.4 | 0 | 0 | 0 | 106.5 | E30 F34 | E30-P32 WeakPolarHBondContact O-CD 3.01Å; P32-F34 HydrophobicContact CG-CD2 4.43Å; P32-F34 HydrophobicContact CG-CE1 4.47Å; P32-F34 HydrophobicContact CG-CE2 3.81Å; P32-F34 HydrophobicContact CG-CZ 3.84Å; P32-F34 WeakPolarHBondContact O-CD2 3.25Å; P32-F34 PolarHBondContact O-N 2.73Å |
| 33 | H | 36 | Very low | 38.5 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 87% | 0.87 | 71% | 0.708 | S | S | * | * | | | trans | -53.3 | 91.2 | 165.8 | -98.2 | -105.5 | 0 | 0 | 0 | 106.1 | Q31 Q35 | Q31-H33 PolarHBondContact O-N 2.88Å; Q31-H33 VanDerWaalsContact O-N 3.11Å; H33-Q35 PolarHBondContact O-N 2.76Å |
| 34 | F | 36.5 | Very low | 38.6 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | | | trans | -62.6 | 100 | 161.7 | -67 | -79.4 | 0 | 0 | 0 | 102.4 | P32 V36 | P32-F34 HydrophobicContact CG-CD2 4.43Å; P32-F34 HydrophobicContact CG-CE1 4.47Å; P32-F34 HydrophobicContact CG-CE2 3.81Å; P32-F34 HydrophobicContact CG-CZ 3.84Å; P32-F34 WeakPolarHBondContact O-CD2 3.25Å; P32-F34 PolarHBondContact O-N 2.73Å; F34-V36 PolarHBondContact O-N 2.67Å |
| 35 | Q | 34.7 | Very low | 38.7 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | | | trans | -57.6 | 89.3 | 155.7 | -73.6 | 179.5 | 3.4 | 0 | 0 | 103.5 | H33 L37 | H33-Q35 PolarHBondContact O-N 2.76Å; Q35-L37 PolarHBondContact O-N 2.88Å |
| 36 | V | 37.5 | Very low | 38.7 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 67% | 0.673 | 71% | 0.705 | S | S | * | * | | | trans | -54.7 | 101.4 | 156.7 | 176.8 | 0 | 0 | 0 | 0 | 101.3 | F34 D38 | F34-V36 PolarHBondContact O-N 2.67Å; V36-D38 PolarHBondContact O-N 2.91Å |
| 37 | L | 37.2 | Very low | 39.2 | Very low | 126 Ų | 126 | 151 Ų | 151 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | | | trans | -59.2 | 87.6 | 176.1 | -73.4 | 159.1 | 0 | 0 | 0 | 105 | Q35 E39 W40 | Q35-L37 PolarHBondContact O-N 2.88Å; L37-E39 PolarHBondContact O-N 2.83Å; L37-W40 PolarHBondContact O-N 2.98Å |
| 38 | D | 39.9 | Very low | 39.5 | Very low | 129 Ų | 129 | 153 Ų | 153 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -57.2 | -10.9 | 173.2 | -83 | -23.5 | 0 | 0 | 0 | 110.6 | V36 W40 | V36-D38 PolarHBondContact O-N 2.91Å; D38-W40 VanDerWaalsContact C-N 3.32Å; D38-W40 PolarHBondContact O-N 3.22Å |
| 39 | E | 39.5 | Very low | 39.6 | Very low | 178 Ų | 178 | 154 Ų | 154 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -76.3 | -2.1 | 177.9 | -86.6 | -172.9 | 154.2 | 0 | 0 | 116.3 | L37 | L37-E39 PolarHBondContact O-N 2.83Š|
| 40 | W | 35.2 | Very low | 39.4 | Very low | 188 Ų | 188 | 150 Ų | 150 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -136.1 | 43.5 | 173.6 | -138.2 | 74.5 | 0 | 0 | 0 | 115.1 | L37 D38 P42 W62 | L37-W40 PolarHBondContact O-N 2.98Å; D38-W40 VanDerWaalsContact C-N 3.32Å; D38-W40 PolarHBondContact O-N 3.22Å; W40-P42 WeakPolarHBondContact O-CD 3.11Å; W40-W62 HydrophobicContact CE3-CH2 4.42Å; W40-W62 HydrophobicContact CZ3-CH2 4.34Å |
| 41 | I | 39.1 | Very low | 39.3 | Very low | 117 Ų | 117 | 145 Ų | 145 | 60% | 0.6 | 72% | 0.722 | S | S | * | * | | | trans | -81.5 | 102.6 | 150.9 | -57.4 | 173.8 | 0 | 0 | 0 | 105.9 | R43 | I41-R43 PolarHBondContact O-N 2.89Š|
| 42 | P | 36.7 | Very low | 39.4 | Very low | 51 Ų | 51 | 143.5 Ų | 143.5 | 33% | 0.331 | 73% | 0.728 | S | S | . | * | | | trans | -58 | 116 | 171.9 | 23.5 | -31.8 | 0 | 0 | 0 | 107.3 | W40 S44 M45 | W40-P42 WeakPolarHBondContact O-CD 3.11Å; P42-S44 PolarHBondContact O-N 2.99Å; P42-M45 PolarHBondContact O-N 3.18Å |
| 43 | R | 48.9 | Very low | 39.5 | Very low | 251 Ų | 251 | 150.2 Ų | 150.2 | 95% | 0.947 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -8.3 | 176.6 | -66.4 | -179.7 | 179.4 | -120.7 | 0.8 | 112.9 | I41 M45 | I41-R43 PolarHBondContact O-N 2.89Å; R43-M45 VanDerWaalsContact C-N 3.33Å |
| 44 | S | 38.8 | Very low | 39.8 | Very low | 96 Ų | 96 | 149.4 Ų | 149.4 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 7.2 | 172.1 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | P42 L46 | P42-S44 PolarHBondContact O-N 2.99Å; S44-L46 PolarHBondContact O-N 3Å |
| 45 | M | 38.6 | Very low | 39.9 | Very low | 141 Ų | 141 | 150 Ų | 150 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -70.8 | 79.7 | 167.2 | -144.8 | -176.2 | -151.3 | 0 | 0 | 109 | P42 R43 Q47 | P42-M45 PolarHBondContact O-N 3.18Å; R43-M45 VanDerWaalsContact C-N 3.33Å; M45-Q47 PolarHBondContact O-N 2.99Å |
| 46 | L | 40.4 | Very low | 40.1 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | | | trans | -10.8 | 107.1 | 169.5 | -82.3 | 136.8 | 0 | 0 | 0 | 111.8 | S44 K48 | S44-L46 PolarHBondContact O-N 3Å; L46-K48 PolarHBondContact O-N 2.76Å |
| 47 | Q | 45.1 | Very low | 40.2 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | | | trans | -37 | 104.6 | 165.2 | -106.3 | 171.3 | -8.7 | 0 | 0 | 108.8 | M45 R49 | M45-Q47 PolarHBondContact O-N 2.99Å; Q47-R49 PolarHBondContact O-N 2.89Å |
| 48 | K | 43.3 | Very low | 40.2 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | trans | -58 | 111.9 | -174.4 | -66.9 | 174.7 | 178.7 | 175.8 | 0 | 108.2 | L46 P50 | L46-K48 PolarHBondContact O-N 2.76Å; K48-P50 WeakPolarHBondContact O-CD 3.42Å |
| 49 | R | 41.4 | Very low | 40.5 | Very low | 217 Ų | 217 | 146.7 Ų | 146.7 | 82% | 0.819 | 75% | 0.751 | S | S | * | * | | | trans | -70.5 | 121.3 | 167.3 | -70.4 | -174.3 | 179.4 | -178.5 | 0.2 | 107.7 | Q47 G51 A52 | Q47-R49 PolarHBondContact O-N 2.89Å; R49-G51 PolarHBondContact O-N 3.01Å; R49-G51 VanDerWaalsContact O-N 3.15Å; R49-A52 PolarHBondContact O-N 2.84Å |
| 50 | P | 40.5 | Very low | 40.5 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 120 | 178.5 | 25.3 | -32.8 | 0 | 0 | 0 | 108.7 | K48 | K48-P50 WeakPolarHBondContact O-CD 3.42Š|
| 51 | G | 37.6 | Very low | 40.6 | Very low | 73 Ų | 73 | 139.3 Ų | 139.3 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119.2 | -12.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | R49 R53 | R49-G51 PolarHBondContact O-N 3.01Å; R49-G51 VanDerWaalsContact O-N 3.15Å; G51-R53 PolarHBondContact O-N 2.65Å |
| 52 | A | 40.3 | Very low | 40.6 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | | | trans | -75.5 | 94.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R49 F54 | R49-A52 PolarHBondContact O-N 2.84Å; A52-F54 PolarHBondContact O-N 2.89Å |
| 53 | R | 42.6 | Very low | 40.8 | Very low | 228 Ų | 228 | 145 Ų | 145 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -65.8 | 117.3 | 171 | -64.3 | 172.2 | 77.7 | 168 | 2.6 | 107.8 | G51 I55 | G51-R53 PolarHBondContact O-N 2.65Å; R53-I55 PolarHBondContact O-N 2.67Å |
| 54 | F | 42.5 | Very low | 40.4 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | | | trans | -57 | 91.4 | 179.7 | -77.1 | -85.2 | 0 | 0 | 0 | 111.7 | A52 A57 | A52-F54 PolarHBondContact O-N 2.89Å; F54-A57 HydrophobicContact CB-CB 4.43Å; F54-A57 HydrophobicContact CD1-CB 3.31Å; F54-A57 HydrophobicContact CE1-CB 3.83Å; F54-A57 HydrophobicContact CG-CB 4.23Å |
| 55 | I | 38.9 | Very low | 40.3 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -89.8 | 101.7 | 160.6 | -56.7 | 175.1 | 0 | 0 | 0 | 105.3 | R53 | R53-I55 PolarHBondContact O-N 2.67Š|
| 56 | G | 37.9 | Very low | 40.5 | Very low | 70 Ų | 70 | 144.5 Ų | 144.5 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 107.3 | -2.1 | 166 | 0 | 0 | 0 | 0 | 0 | 117.6 | R58 | G56-R58 PolarHBondContact O-N 2.66Š|
| 57 | A | 40.7 | Very low | 40.3 | Very low | 64 Ų | 64 | 147.2 Ų | 147.2 | 53% | 0.529 | 76% | 0.76 | S | S | . | * | | | trans | -74.1 | 82.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | F54 A59 | F54-A57 HydrophobicContact CB-CB 4.43Å; F54-A57 HydrophobicContact CD1-CB 3.31Å; F54-A57 HydrophobicContact CE1-CB 3.83Å; F54-A57 HydrophobicContact CG-CB 4.23Å; A57-A59 PolarHBondContact O-N 3.2Å; A57-A59 VanDerWaalsContact O-N 3.13Å |
| 58 | R | 37.3 | Very low | 40.2 | Very low | 227 Ų | 227 | 143.8 Ų | 143.8 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | trans | -41.1 | 126 | 149.9 | -76.6 | 179.3 | 172.7 | 179.6 | -2.1 | 104.9 | G56 L60 | G56-R58 PolarHBondContact O-N 2.66Å; R58-L60 PolarHBondContact O-N 2.93Å |
| 59 | A | 45.6 | Very low | 40.1 | Very low | 97 Ų | 97 | 142 Ų | 142 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | | | trans | -52.5 | 98.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 104.5 | A57 G61 | A57-A59 PolarHBondContact O-N 3.2Å; A57-A59 VanDerWaalsContact O-N 3.13Å; A59-G61 PolarHBondContact O-N 2.89Å |
| 60 | L | 39.7 | Very low | 40.1 | Very low | 158 Ų | 158 | 142 Ų | 142 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | | | trans | -61.7 | 72 | 146.2 | -71.7 | 166.1 | 0 | 0 | 0 | 101.8 | R58 W62 | R58-L60 PolarHBondContact O-N 2.93Å; L60-W62 VanDerWaalsContact O-CD1 3.26Å; L60-W62 PolarHBondContact O-N 3.41Å |
| 61 | G | 37.4 | Very low | 40.1 | Very low | 54 Ų | 54 | 139.1 Ų | 139.1 | 56% | 0.557 | 73% | 0.731 | S | S | * | * | | | trans | -56.6 | 103.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 100.3 | A59 P63 | A59-G61 PolarHBondContact O-N 2.89Å; G61-P63 VanDerWaalsContact O-CD 3.28Å; G61-P63 WeakPolarHBondContact O-CD 3.12Å |
| 62 | W | 37.7 | Very low | 40.3 | Very low | 176 Ų | 176 | 140 Ų | 140 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | | | trans | -45.2 | 118.4 | 178 | -76.8 | 51.9 | 0 | 0 | 0 | 103.7 | W40 L60 M64 | W40-W62 HydrophobicContact CE3-CH2 4.42Å; W40-W62 HydrophobicContact CZ3-CH2 4.34Å; L60-W62 VanDerWaalsContact O-CD1 3.26Å; L60-W62 PolarHBondContact O-N 3.41Å; W62-M64 PolarHBondContact O-N 3.46Å |
| 63 | P | 41.6 | Very low | 40.5 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | | | trans | -62.7 | 97.1 | 166.1 | 27.5 | -29.8 | 0 | 0 | 0 | 101.8 | G61 V65 | G61-P63 VanDerWaalsContact O-CD 3.28Å; G61-P63 WeakPolarHBondContact O-CD 3.12Å; P63-V65 HydrophobicContact CB-CG2 3.9Å; P63-V65 HydrophobicContact CG-CG2 4.38Å; P63-V65 PolarHBondContact O-N 2.7Å |
| 64 | M | 41.4 | Very low | 40.6 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | | | trans | -60.4 | 75.6 | 154.2 | -73.2 | 178.2 | 177.6 | 0 | 0 | 102.9 | W62 W66 | W62-M64 PolarHBondContact O-N 3.46Å; M64-W66 PolarHBondContact O-N 3.13Å |
| 65 | V | 36.7 | Very low | 40.6 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | | | trans | -63.7 | 99.9 | 160.9 | -177.4 | 0 | 0 | 0 | 0 | 99.9 | P63 R67 | P63-V65 HydrophobicContact CB-CG2 3.9Å; P63-V65 HydrophobicContact CG-CG2 4.38Å; P63-V65 PolarHBondContact O-N 2.7Å; V65-R67 HydrophobicContact CB-CG 4.49Å; V65-R67 HydrophobicContact CG1-CG 3.82Å; V65-R67 PolarHBondContact O-N 2.81Å |
| 66 | W | 41.7 | Very low | 40.8 | Very low | 222 Ų | 222 | 141.7 Ų | 141.7 | 84% | 0.841 | 72% | 0.715 | S | S | * | * | | | trans | -56.6 | 76.7 | 156.9 | -58.9 | 88.2 | 0 | 0 | 0 | 104.7 | M64 T68 | M64-W66 PolarHBondContact O-N 3.13Å; W66-T68 PolarHBondContact O-N 2.65Å |
| 67 | R | 37.1 | Very low | 40.7 | Very low | 212 Ų | 212 | 141.3 Ų | 141.3 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | | | trans | -62.1 | 104 | 164.1 | -85.9 | -170.1 | 172.7 | -171.2 | -1.4 | 101.1 | V65 I69 | V65-R67 HydrophobicContact CB-CG 4.49Å; V65-R67 HydrophobicContact CG1-CG 3.82Å; V65-R67 PolarHBondContact O-N 2.81Å; R67-I69 PolarHBondContact O-N 2.84Å |
| 68 | T | 41.7 | Very low | 41.1 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | | | trans | -51.9 | 98.6 | 161.4 | 53.3 | 0 | 0 | 0 | 0 | 103.7 | W66 R70 | W66-T68 PolarHBondContact O-N 2.65Å; T68-R70 PolarHBondContact O-N 3.37Å |
| 69 | I | 43.3 | Very low | 41.3 | Very low | 143 Ų | 143 | 142 Ų | 142 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | | | trans | -57.5 | 100.6 | 166.5 | -65.1 | 169.4 | 0 | 0 | 0 | 100.9 | R67 P71 | R67-I69 PolarHBondContact O-N 2.84Å; I69-P71 WeakPolarHBondContact O-CD 3.5Å |
| 70 | R | 39.7 | Very low | 40.9 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 81% | 0.811 | 69% | 0.692 | S | S | * | * | | | trans | -56.6 | 113.3 | 171.8 | -76.8 | -173 | 179.5 | -168.2 | -0 | 102.7 | T68 T72 | T68-R70 PolarHBondContact O-N 3.37Å; R70-T72 PolarHBondContact O-N 3.45Å |
| 71 | P | 41.2 | Very low | 40.7 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 49% | 0.487 | 69% | 0.688 | S | S | . | * | | | trans | -57.3 | 116.6 | 179.3 | 22.1 | -29.7 | 0 | 0 | 0 | 105 | I69 K73 | I69-P71 WeakPolarHBondContact O-CD 3.5Å; P71-K73 PolarHBondContact O-N 2.65Å |
| 72 | T | 41.3 | Very low | 41 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 56% | 0.558 | 69% | 0.687 | S | S | * | * | | | trans | -56.3 | 139.7 | 171.8 | 60 | 0 | 0 | 0 | 0 | 105.4 | R70 R74 E75 | R70-T72 PolarHBondContact O-N 3.45Å; T72-R74 PolarHBondContact O-N 3.11Å; T72-E75 PolarHBondContact O-N 2.83Å |
| 73 | K | 45.6 | Very low | 41.1 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 86% | 0.857 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.3 | -14.6 | -171.5 | -72.5 | -177.9 | 175.6 | -176.8 | 0 | 114.9 | P71 | P71-K73 PolarHBondContact O-N 2.65Š|
| 74 | R | 44.9 | Very low | 40.9 | Very low | 241 Ų | 241 | 145.6 Ų | 145.6 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -19.5 | 174.7 | -78.8 | -176.3 | 161.5 | 175.8 | -5.3 | 115.3 | T72 | T72-R74 PolarHBondContact O-N 3.11Š|
| 75 | E | 41.8 | Very low | 40.9 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 62% | 0.621 | 69% | 0.688 | S | S | * | * | | | trans | -104.5 | 4.5 | -175.3 | -68.9 | -179.5 | -168.8 | 0 | 0 | 114.2 | T72 S77 | T72-E75 PolarHBondContact O-N 2.83Å; E75-S77 PolarHBondContact O-N 2.69Å |
| 76 | L | 42.7 | Very low | 41 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 60% | 0.602 | 69% | 0.69 | S | S | * | * | | | trans | -71.6 | 73.1 | 167.3 | -76.1 | 157.9 | 0 | 0 | 0 | 108.7 | | |
| 77 | S | 35.7 | Very low | 41.1 | Very low | 62 Ų | 62 | 137.7 Ų | 137.7 | 43% | 0.434 | 68% | 0.677 | S | S | . | * | | | trans | -55.9 | 136.7 | 158.8 | 126.5 | 0 | 0 | 0 | 0 | 106.8 | E75 Y79 A80 | E75-S77 PolarHBondContact O-N 2.69Å; S77-Y79 PolarHBondContact O-N 2.71Å; S77-Y79 PolarHBondContact OG-N 2.8Å; S77-A80 WeakPolarHBondContact O-CB 3.47Å; S77-A80 PolarHBondContact O-N 2.94Å |
| 78 | P | 49 | Very low | 41.2 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 75% | 0.747 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -11.5 | 178.1 | -23.9 | 32.8 | 0 | 0 | 0 | 114.3 | | |
| 79 | Y | 41.6 | Very low | 41.2 | Very low | 190 Ų | 190 | 137 Ų | 137 | 75% | 0.745 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 0.5 | 179.7 | -54.2 | -74 | 0 | 0 | 0 | 113.3 | S77 Y81 | S77-Y79 PolarHBondContact O-N 2.71Å; S77-Y79 PolarHBondContact OG-N 2.8Å; Y79-Y81 WeakPolarHBondContact O-CD2 3.28Å; Y79-Y81 PolarHBondContact O-N 3.27Å |
| 80 | A | 38.5 | Very low | 41.2 | Very low | 60 Ų | 60 | 135.5 Ų | 135.5 | 50% | 0.496 | 67% | 0.669 | S | S | . | * | | | trans | -75.3 | 69.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | S77 S82 | S77-A80 WeakPolarHBondContact O-CB 3.47Å; S77-A80 PolarHBondContact O-N 2.94Å; A80-S82 PolarHBondContact O-N 2.72Å |
| 81 | Y | 35.3 | Very low | 41.4 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 75% | 0.745 | 67% | 0.665 | S | S | * | * | | | trans | -59.2 | 110.9 | 164 | -70.7 | -83.8 | 0 | 0 | 0 | 106.8 | Y79 I83 | Y79-Y81 WeakPolarHBondContact O-CD2 3.28Å; Y79-Y81 PolarHBondContact O-N 3.27Å; Y81-I83 VanDerWaalsContact C-N 3.31Å; Y81-I83 PolarHBondContact O-N 2.92Å |
| 82 | S | 43.5 | Very low | 41.7 | Very low | 77 Ų | 77 | 134.9 Ų | 134.9 | 54% | 0.538 | 67% | 0.673 | S | S | . | * | | | trans | -58 | 99.7 | 165.4 | 48.1 | 0 | 0 | 0 | 0 | 107.4 | A80 Y84 | A80-S82 PolarHBondContact O-N 2.72Å; S82-Y84 VanDerWaalsContact CB-CD2 3.46Å; S82-Y84 PolarHBondContact O-N 2.94Å; S82-Y84 VanDerWaalsContact OG-CD2 3.25Å; S82-Y84 WeakPolarHBondContact OG-CD2 3.41Å; S82-Y84 WeakPolarHBondContact OG-CE2 3.07Å |
| 83 | I | 39.9 | Very low | 41.7 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 83% | 0.831 | 69% | 0.685 | S | S | * | * | | | trans | -68.4 | 75.5 | 166.2 | -50.6 | 169.8 | 0 | 0 | 0 | 105.3 | Y81 P85 | Y81-I83 VanDerWaalsContact C-N 3.31Å; Y81-I83 PolarHBondContact O-N 2.92Å; I83-P85 WeakPolarHBondContact O-CD 3.45Å |
| 84 | Y | 36.2 | Very low | 41.6 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | | | trans | -66.6 | 123.7 | 164.2 | -72.4 | -72.5 | 0 | 0 | 0 | 105.3 | S82 D86 | S82-Y84 VanDerWaalsContact CB-CD2 3.46Å; S82-Y84 PolarHBondContact O-N 2.94Å; S82-Y84 VanDerWaalsContact OG-CD2 3.25Å; S82-Y84 WeakPolarHBondContact OG-CD2 3.41Å; S82-Y84 WeakPolarHBondContact OG-CE2 3.07Å; Y84-D86 PolarHBondContact O-N 2.84Å |
| 85 | P | 41.7 | Very low | 41.2 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 62% | 0.623 | 67% | 0.666 | S | S | * | * | | | trans | -57.4 | 118.5 | 163.9 | 26.4 | -30.8 | 0 | 0 | 0 | 105.2 | I83 T87 | I83-P85 WeakPolarHBondContact O-CD 3.45Å; P85-T87 HydrophobicContact CB-CG2 4.22Å; P85-T87 PolarHBondContact O-N 3.06Å; P85-T87 PolarHBondContact O-OG1 2.76Å |
| 86 | D | 38.9 | Very low | 41.1 | Very low | 122 Ų | 122 | 128 Ų | 128 | 65% | 0.652 | 67% | 0.671 | S | S | * | * | | | trans | -66.8 | 76.1 | -179.5 | -161.5 | 0.4 | 0 | 0 | 0 | 108.3 | Y84 F88 | Y84-D86 PolarHBondContact O-N 2.84Å; D86-F88 VanDerWaalsContact C-N 3.28Å |
| 87 | T | 43 | Very low | 41 | Very low | 92 Ų | 92 | 129 Ų | 129 | 56% | 0.564 | 68% | 0.677 | S | S | * | * | | | trans | -94.2 | 13.2 | -179.1 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | P85 | P85-T87 HydrophobicContact CB-CG2 4.22Å; P85-T87 PolarHBondContact O-N 3.06Å; P85-T87 PolarHBondContact O-OG1 2.76Å |
| 88 | F | 40.6 | Very low | 41.2 | Very low | 190 Ų | 190 | 131 Ų | 131 | 83% | 0.833 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -110 | -9 | 179.6 | -80.1 | -75.9 | 0 | 0 | 0 | 114.2 | D86 | D86-F88 VanDerWaalsContact C-N 3.28Š|
| 89 | D | 41.4 | Very low | 41 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 68% | 0.684 | 68% | 0.677 | S | S | * | * | | | trans | -95.4 | 5.8 | 177.3 | -107.4 | 15 | 0 | 0 | 0 | 114.7 | E91 | D89-E91 VanDerWaalsContact C-N 3.26Å; D89-E91 PolarHBondContact O-N 3.12Å |
| 90 | D | 43.2 | Very low | 41 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 59% | 0.588 | 68% | 0.679 | S | S | * | * | | | trans | -78.3 | 81.7 | 166.2 | -76.7 | -13.7 | 0 | 0 | 0 | 108.4 | D92 Y93 | D90-D92 PolarHBondContact O-N 2.85Å; D90-Y93 WeakPolarHBondContact O-CB 3.17Å; D90-Y93 PolarHBondContact O-N 3.18Å |
| 91 | E | 44.1 | Very low | 41.2 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -52 | -18.6 | 167 | -74.7 | -156.3 | 156.4 | 0 | 0 | 112.3 | D89 Y93 V94 | D89-E91 VanDerWaalsContact C-N 3.26Å; D89-E91 PolarHBondContact O-N 3.12Å; E91-Y93 PolarHBondContact O-N 3.29Å; E91-V94 PolarHBondContact O-N 2.83Å |
| 92 | D | 46.3 | Very low | 41.4 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 66% | 0.658 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -62.9 | -21.8 | 171.4 | -77 | -12.3 | 0 | 0 | 0 | 113.6 | D90 | D90-D92 PolarHBondContact O-N 2.85Š|
| 93 | Y | 42.1 | Very low | 41.2 | Very low | 209 Ų | 209 | 129.1 Ų | 129.1 | 82% | 0.82 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -76.3 | -24.7 | 173.3 | -136.2 | -86.1 | 0 | 0 | 0 | 112.4 | D90 E91 | D90-Y93 WeakPolarHBondContact O-CB 3.17Å; D90-Y93 PolarHBondContact O-N 3.18Å; E91-Y93 PolarHBondContact O-N 3.29Å |
| 94 | V | 42.6 | Very low | 41.3 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 72% | 0.721 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -34 | -177.7 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | E91 G96 | E91-V94 PolarHBondContact O-N 2.83Å; V94-G96 PolarHBondContact O-N 2.7Å |
| 95 | N | 37.2 | Very low | 41.5 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 20.2 | -170.6 | -81 | -11 | 0 | 0 | 0 | 115.9 | N97 | N95-N97 PolarHBondContact O-N 3.05Š|
| 96 | G | 40.1 | Very low | 41.2 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 69% | 0.69 | S | S | * | * | | | trans | 59 | 0.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | V94 S98 | V94-G96 PolarHBondContact O-N 2.7Å; G96-S98 VanDerWaalsContact C-N 3.31Å; G96-S98 PolarHBondContact O-N 2.81Å |
| 97 | N | 39.3 | Very low | 40.9 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | | | trans | -83.2 | 86.8 | -178.4 | -81.3 | -18.5 | 0 | 0 | 0 | 106.8 | N95 I99 | N95-N97 PolarHBondContact O-N 3.05Å; N97-I99 PolarHBondContact O-N 3Å |
| 98 | S | 41.1 | Very low | 40.4 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | | | trans | -27.2 | 103.5 | 168.4 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | G96 R100 | G96-S98 VanDerWaalsContact C-N 3.31Å; G96-S98 PolarHBondContact O-N 2.81Å; S98-R100 PolarHBondContact O-N 2.82Å |
| 99 | I | 44.1 | Very low | 40.4 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 44% | 0.441 | 70% | 0.697 | S | S | . | * | | | trans | -51.2 | 106.8 | 172.4 | -65.3 | 165.9 | 0 | 0 | 0 | 105.3 | N97 A101 K104 | N97-I99 PolarHBondContact O-N 3Å; I99-A101 PolarHBondContact O-N 3.49Å; I99-K104 HydrophobicContact CG2-CG 4.41Å |
| 100 | R | 41.6 | Very low | 40.7 | Very low | 212 Ų | 212 | 127.2 Ų | 127.2 | 80% | 0.8 | 69% | 0.694 | S | S | * | * | | | trans | -49.6 | 118.3 | -179.2 | -73.2 | 178.6 | 173 | 168.2 | -2.2 | 106.2 | S98 D102 A103 | S98-R100 PolarHBondContact O-N 2.82Å; R100-D102 PolarHBondContact O-N 3.15Å; R100-A103 PolarHBondContact O-N 2.73Å |
| 101 | A | 42.9 | Very low | 40.7 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -54.4 | -16.5 | -170 | 0 | 0 | 0 | 0 | 0 | 113.4 | I99 A103 | I99-A101 PolarHBondContact O-N 3.49Å; A101-A103 VanDerWaalsContact C-N 3.35Å |
| 102 | D | 40.2 | Very low | 40.6 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -70.5 | -26.1 | 176.4 | -59.4 | -36.3 | 0 | 0 | 0 | 113.7 | R100 K104 | R100-D102 PolarHBondContact O-N 3.15Å; D102-K104 VanDerWaalsContact C-N 3.34Å; D102-K104 PolarHBondContact O-N 2.8Å |
| 103 | A | 39.6 | Very low | 40.4 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 60% | 0.595 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -74.8 | -20 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | R100 A101 R105 | R100-A103 PolarHBondContact O-N 2.73Å; A101-A103 VanDerWaalsContact C-N 3.35Å; A103-R105 VanDerWaalsContact C-N 3.34Å; A103-R105 PolarHBondContact O-N 2.9Å |
| 104 | K | 40.5 | Very low | 40.2 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 52% | 0.522 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -88.8 | 8.9 | -179.5 | -67.9 | -164.3 | 178.1 | -174.3 | 0 | 114.5 | I99 D102 | I99-K104 HydrophobicContact CG2-CG 4.41Å; D102-K104 VanDerWaalsContact C-N 3.34Å; D102-K104 PolarHBondContact O-N 2.8Å |
| 105 | R | 40.5 | Very low | 40.3 | Very low | 234 Ų | 234 | 120 Ų | 120 | 88% | 0.883 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -85 | -5.2 | 175 | -90.6 | -175.1 | 175.6 | -172.9 | 0.4 | 115.1 | A103 | A103-R105 VanDerWaalsContact C-N 3.34Å; A103-R105 PolarHBondContact O-N 2.9Å |
| 106 | A | 36.1 | Very low | 40.7 | Very low | 89 Ų | 89 | 118.3 Ų | 118.3 | 74% | 0.736 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -96.9 | 114.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | G108 | A106-G108 PolarHBondContact O-N 2.7Š|
| 107 | G | 31.6 | Very low | 40.6 | Very low | 86 Ų | 86 | 116.7 Ų | 116.7 | 89% | 0.887 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 89.5 | 4.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 108 | G | 33.7 | Very low | 40.9 | Very low | 59 Ų | 59 | 115.5 Ų | 115.5 | 61% | 0.608 | 64% | 0.635 | S | S | * | * | | | trans | 86.2 | 107.6 | 167 | 0 | 0 | 0 | 0 | 0 | 113.6 | A106 | A106-G108 PolarHBondContact O-N 2.7Š|
| 109 | R | 40.7 | Very low | 41 | Very low | 189 Ų | 189 | 118.5 Ų | 118.5 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | | | trans | 175.5 | 148.1 | 135.8 | -94.4 | 162.4 | 159.7 | -147.4 | -1.1 | 109.8 | | |
| 110 | Y | 47.9 | Very low | 40.8 | Very low | 156 Ų | 156 | 115.3 Ų | 115.3 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | | | trans | 81.3 | 77.9 | 167 | -44.3 | -67 | 0 | 0 | 0 | 116.5 | P112 | Y110-P112 WeakPolarHBondContact O-CD 3.5Š|
| 111 | I | 43.1 | Very low | 40.7 | Very low | 130 Ų | 130 | 114.1 Ų | 114.1 | 67% | 0.667 | 61% | 0.612 | S | S | * | * | | | trans | -69.8 | 117.9 | 147.3 | -61.2 | 169.6 | 0 | 0 | 0 | 105.7 | W113 S115 V116 | I111-W113 PolarHBondContact O-N 3Å; I111-S115 WeakPolarHBondContact CG2-OG 3.47Å; I111-V116 HydrophobicContact CG2-CG2 4.04Å |
| 112 | P | 41.7 | Very low | 40.4 | Very low | 86 Ų | 86 | 112.4 Ų | 112.4 | 56% | 0.558 | 60% | 0.603 | S | S | * | * | | | trans | -60.3 | 125.7 | 175.1 | 23.7 | -30.7 | 0 | 0 | 0 | 108.4 | Y110 N114 S115 | Y110-P112 WeakPolarHBondContact O-CD 3.5Å; P112-N114 PolarHBondContact O-N 3.26Å; P112-S115 PolarHBondContact O-N 3.45Å; P112-S115 PolarHBondContact O-OG 2.96Å |
| 113 | W | 41.5 | Very low | 40.4 | Very low | 177 Ų | 177 | 114.4 Ų | 114.4 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -52.4 | -25.2 | -176.3 | -163.8 | -96.5 | 0 | 0 | 0 | 112.8 | I111 S115 V116 L117 | I111-W113 PolarHBondContact O-N 3Å; W113-S115 PolarHBondContact O-N 2.84Å; W113-V116 PolarHBondContact O-N 3.3Å; W113-L117 HydrophobicContact CZ2-CD1 4.19Å |
| 114 | N | 38.8 | Very low | 40.3 | Very low | 89 Ų | 89 | 118.5 Ų | 118.5 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | G | 310 helix | trans | -59.2 | -23.1 | 175.8 | -48.8 | 8 | 0 | 0 | 0 | 113.5 | P112 | P112-N114 PolarHBondContact O-N 3.26Š|
| 115 | S | 44.1 | Very low | 40.2 | Very low | 81 Ų | 81 | 119.9 Ų | 119.9 | 57% | 0.566 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -85.8 | -18.6 | 175 | 67.8 | 0 | 0 | 0 | 0 | 113.3 | I111 P112 W113 | I111-S115 WeakPolarHBondContact CG2-OG 3.47Å; P112-S115 PolarHBondContact O-N 3.45Å; P112-S115 PolarHBondContact O-OG 2.96Å; W113-S115 PolarHBondContact O-N 2.84Å |
| 116 | V | 45.2 | Very low | 40.2 | Very low | 84 Ų | 84 | 111.9 Ų | 111.9 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | -23.6 | -176.4 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | I111 W113 | I111-V116 HydrophobicContact CG2-CG2 4.04Å; W113-V116 PolarHBondContact O-N 3.3Å |
| 117 | L | 38.1 | Very low | 40.2 | Very low | 37 Ų | 37 | 115.7 Ų | 115.7 | 19% | 0.194 | 61% | 0.606 | C | S | . | * | | | trans | -136.1 | 107.2 | -172.2 | -62.5 | 163.2 | 0 | 0 | 0 | 110.9 | W113 W119 A120 | W113-L117 HydrophobicContact CZ2-CD1 4.19Å; L117-W119 HydrophobicContact CB-CD2 4.14Å; L117-W119 HydrophobicContact CB-CG 4.41Å; L117-W119 HydrophobicContact CB-CZ2 4.19Å; L117-W119 HydrophobicContact CD1-CH2 3.85Å; L117-W119 HydrophobicContact CD1-CZ2 3.46Å; L117-W119 VanDerWaalsContact CD1-CZ2 3.46Å; L117-W119 HydrophobicContact CD2-CZ2 3.77Å; L117-W119 HydrophobicContact CG-CZ2 3.98Å; L117-W119 PolarHBondContact O-N 2.8Å; L117-W119 VanDerWaalsContact O-N 3.1Å; L117-A120 HydrophobicContact CB-CB 4.15Å; L117-A120 WeakPolarHBondContact O-CB 3.49Å; L117-A120 PolarHBondContact O-N 3.49Å |
| 118 | P | 45.8 | Very low | 40.3 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 72% | 0.721 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -54.9 | -29.8 | 177.4 | -24.7 | 32 | 0 | 0 | 0 | 113.5 | A120 R121 | P118-A120 VanDerWaalsContact C-N 3.34Å; P118-R121 PolarHBondContact O-N 3.21Å |
| 119 | W | 42.7 | Very low | 40.4 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -77 | -15.3 | 178.7 | 52.5 | -94.5 | 0 | 0 | 0 | 114.1 | L117 R121 G122 Y123 | L117-W119 HydrophobicContact CB-CD2 4.14Å; L117-W119 HydrophobicContact CB-CG 4.41Å; L117-W119 HydrophobicContact CB-CZ2 4.19Å; L117-W119 HydrophobicContact CD1-CH2 3.85Å; L117-W119 HydrophobicContact CD1-CZ2 3.46Å; L117-W119 VanDerWaalsContact CD1-CZ2 3.46Å; L117-W119 HydrophobicContact CD2-CZ2 3.77Å; L117-W119 HydrophobicContact CG-CZ2 3.98Å; L117-W119 PolarHBondContact O-N 2.8Å; L117-W119 VanDerWaalsContact O-N 3.1Å; W119-R121 VanDerWaalsContact C-N 3.26Å; W119-R121 PolarHBondContact O-N 3.37Å; W119-G122 PolarHBondContact O-N 3.18Å; W119-Y123 HydrophobicContact CE3-CE2 4.48Å |
| 120 | A | 41.5 | Very low | 40.4 | Very low | 19 Ų | 19 | 126.9 Ų | 126.9 | 16% | 0.157 | 62% | 0.624 | C | S | . | * | G | 310 helix | trans | -72.8 | -20 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L117 P118 G122 Y123 | L117-A120 HydrophobicContact CB-CB 4.15Å; L117-A120 WeakPolarHBondContact O-CB 3.49Å; L117-A120 PolarHBondContact O-N 3.49Å; P118-A120 VanDerWaalsContact C-N 3.34Å; A120-G122 PolarHBondContact O-N 3.27Å; A120-Y123 PolarHBondContact O-N 3.31Å |
| 121 | R | 39.3 | Very low | 40 | Very low | 188 Ų | 188 | 125.4 Ų | 125.4 | 71% | 0.709 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -63 | -20.8 | 173.8 | -72.2 | -171.5 | -177.7 | -179.1 | -0.2 | 113.3 | P118 W119 | P118-R121 PolarHBondContact O-N 3.21Å; W119-R121 VanDerWaalsContact C-N 3.26Å; W119-R121 PolarHBondContact O-N 3.37Å |
| 122 | G | 36.5 | Very low | 39.9 | Very low | 49 Ų | 49 | 125.1 Ų | 125.1 | 51% | 0.505 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -73.5 | -25.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W119 A120 H124 | W119-G122 PolarHBondContact O-N 3.18Å; A120-G122 PolarHBondContact O-N 3.27Å; G122-H124 VanDerWaalsContact C-N 3.34Å; G122-H124 PolarHBondContact O-N 3.07Å |
| 123 | Y | 39.3 | Very low | 39.7 | Very low | 179 Ų | 179 | 127.4 Ų | 127.4 | 70% | 0.702 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -80.8 | -11.6 | -173.5 | -72.4 | -79.1 | 0 | 0 | 0 | 114.3 | W119 A120 | W119-Y123 HydrophobicContact CE3-CE2 4.48Å; A120-Y123 PolarHBondContact O-N 3.31Å |
| 124 | H | 38.2 | Very low | 39.6 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -92.1 | -11.7 | 178.3 | -111 | -75.4 | 0 | 0 | 0 | 114.3 | G122 | G122-H124 VanDerWaalsContact C-N 3.34Å; G122-H124 PolarHBondContact O-N 3.07Å |
| 125 | L | 37.7 | Very low | 39.7 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 78% | 0.78 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -96.8 | -3.9 | -179.8 | -94.2 | 139.6 | 0 | 0 | 0 | 113.6 | | |
| 126 | A | 40.1 | Very low | 39.4 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 55% | 0.554 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -91.9 | -0.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 127 | H | 35.9 | Very low | 38.9 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 78% | 0.782 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -118 | 10.9 | -176 | -89.2 | -66 | 0 | 0 | 0 | 115.8 | | |
| 128 | D | 35.1 | Very low | 39 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | | | trans | -104.1 | 74.3 | 166.6 | -67.4 | -25.5 | 0 | 0 | 0 | 109.5 | | |
| 129 | Y | 36 | Very low | 38.4 | Very low | 294 Ų | 294 | 144.3 Ų | 144.3 | 100% | 1.153 | 68% | 0.682 | S | S | * | * | | | trans | -129.5 | 0 | 157.8 | -91.3 | -78.6 | 0 | 0 | 0 | 107.3 | | |