| 1 | M | 33.3 | Very low | 34 | Very low | 234 Ų | 234 | 155.5 Ų | 155.5 | 100% | 1.153 | 84% | 0.836 | S | S | * | * | | | | 0 | 107.1 | 0 | -61.6 | -175.5 | -157.5 | 0 | 0 | 105.1 | | |
| 2 | N | 30.6 | Very low | 34.7 | Very low | 146 Ų | 146 | 153.8 Ų | 153.8 | 78% | 0.781 | 83% | 0.827 | S | S | * | * | | | | 67.5 | 125 | 84.1 | -79.7 | -3.1 | 0 | 0 | 0 | 110.4 | | |
| 3 | L | 26.9 | Very low | 35.9 | Very low | 153 Ų | 153 | 154 Ų | 154 | 80% | 0.801 | 83% | 0.827 | S | S | * | * | | | cis | -149.5 | 152.6 | 12.1 | -77.6 | 122.3 | 0 | 0 | 0 | 109.9 | | |
| 4 | S | 28.7 | Very low | 36.5 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | | | trans | -107.6 | 126.8 | 169.1 | 172.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 5 | Q | 31.5 | Very low | 36.6 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | -135.9 | 102.1 | 166.6 | -73.4 | -170.3 | -48.5 | 0 | 0 | 108.4 | | |
| 6 | N | 31.9 | Very low | 36.6 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | -88 | 113.8 | 166.5 | -68.3 | -32.5 | 0 | 0 | 0 | 107.7 | | |
| 7 | N | 34.6 | Very low | 36.6 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -139.4 | 90.1 | 157.5 | -103.3 | -7.1 | 0 | 0 | 0 | 106.7 | | |
| 8 | S | 33.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -79.2 | 117.8 | 167.5 | -79.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 9 | L | 40.7 | Very low | 36.3 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -82.4 | 114.3 | 163.3 | -171.6 | 70.7 | 0 | 0 | 0 | 106.9 | | |
| 10 | E | 36.2 | Very low | 36.3 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | -83.4 | 113.7 | 172.2 | -64.3 | -173.9 | 112.2 | 0 | 0 | 108.1 | | |
| 11 | V | 45.7 | Very low | 36.2 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 66% | 0.661 | 80% | 0.801 | S | S | * | * | | | trans | -91.1 | 128 | 168.9 | -77.4 | 0 | 0 | 0 | 0 | 108.7 | D13 | V11-D13 PolarHBondContact O-N 3.29Š|
| 12 | D | 43 | Very low | 36 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -80.8 | 108.7 | 179.2 | -172.4 | 78.2 | 0 | 0 | 0 | 109.8 | S14 | D12-S14 PolarHBondContact O-N 3.48Å; D12-S14 WeakPolarHBondContact OD2-CB 3.36Å; D12-S14 PolarHBondContact OD2-N 3.44Å; D12-S14 PolarHBondContact OD2-OG 3.23Å |
| 13 | D | 49.5 | Very low | 36.4 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | -82.2 | 30 | 178.2 | -83.9 | -45.4 | 0 | 0 | 0 | 113 | V11 P15 | V11-D13 PolarHBondContact O-N 3.29Å; D13-P15 WeakPolarHBondContact O-CD 3.43Å |
| 14 | S | 44 | Very low | 36.8 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 55% | 0.552 | 76% | 0.761 | S | S | * | * | | | trans | -74.4 | 125 | 175.9 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | D12 G16 | D12-S14 PolarHBondContact O-N 3.48Å; D12-S14 WeakPolarHBondContact OD2-CB 3.36Å; D12-S14 PolarHBondContact OD2-N 3.44Å; D12-S14 PolarHBondContact OD2-OG 3.23Å; S14-G16 VanDerWaalsContact C-N 3.3Å; S14-G16 PolarHBondContact O-N 3.44Å |
| 15 | P | 38.4 | Very low | 37.3 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | | | trans | -71.8 | 88.1 | 174.9 | 29.3 | -32.7 | 0 | 0 | 0 | 109.3 | D13 | D13-P15 WeakPolarHBondContact O-CD 3.43Š|
| 16 | G | 36.9 | Very low | 37.7 | Very low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | -70.1 | 130.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S14 A18 | S14-G16 VanDerWaalsContact C-N 3.3Å; S14-G16 PolarHBondContact O-N 3.44Å; G16-A18 PolarHBondContact O-N 3.4Å |
| 17 | T | 37.1 | Very low | 38.1 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | | | trans | -60.5 | 119.3 | 172.4 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | D19 | T17-D19 PolarHBondContact O-N 3.35Š|
| 18 | A | 33.8 | Very low | 38.4 | Very low | 105 Ų | 105 | 131 Ų | 131 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | | | trans | -61.9 | 103.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | G16 | G16-A18 PolarHBondContact O-N 3.4Š|
| 19 | D | 32.9 | Very low | 38.7 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | | | trans | -66.6 | 130.7 | 164.6 | -132.8 | -79.1 | 0 | 0 | 0 | 107.1 | T17 V21 | T17-D19 PolarHBondContact O-N 3.35Å; D19-V21 PolarHBondContact O-N 3.44Å |
| 20 | E | 36.2 | Very low | 38.5 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | | | trans | -69.9 | 93.5 | -177.3 | -172.7 | 178.3 | 103.1 | 0 | 0 | 108.7 | T22 | E20-T22 PolarHBondContact O-N 3.45Š|
| 21 | V | 34.4 | Very low | 38.5 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | | | trans | -79.3 | 105.7 | 176 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | D19 V23 | D19-V21 PolarHBondContact O-N 3.44Å; V21-V23 HydrophobicContact CG1-CG2 4.48Å; V21-V23 PolarHBondContact O-N 3.42Å |
| 22 | T | 30 | Very low | 37.9 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | | | trans | -71.5 | 116.2 | 167.6 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | E20 | E20-T22 PolarHBondContact O-N 3.45Š|
| 23 | V | 37.4 | Very low | 37.7 | Very low | 61 Ų | 61 | 122.4 Ų | 122.4 | 37% | 0.37 | 70% | 0.695 | S | S | . | * | | | trans | -94 | 114.3 | 175.9 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | V21 E26 L44 | V21-V23 HydrophobicContact CG1-CG2 4.48Å; V21-V23 PolarHBondContact O-N 3.42Å; V23-E26 HydrophobicContact CB-CG 4.34Å; V23-E26 HydrophobicContact CG1-CG 3.61Å; V23-L44 HydrophobicContact CG1-CD2 3.54Å; V23-L44 HydrophobicContact CG2-CD2 4.24Å |
| 24 | E | 36.6 | Very low | 37.3 | Very low | 179 Ų | 179 | 124.8 Ų | 124.8 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -98.2 | 115.8 | 167.3 | -55 | -150.3 | 129.1 | 0 | 0 | 106.5 | | |
| 25 | E | 38.4 | Very low | 37.1 | Very low | 191 Ų | 191 | 127.1 Ų | 127.1 | 89% | 0.893 | 71% | 0.707 | S | S | * | * | | | trans | 80.8 | 85 | 177 | -47.1 | -168.4 | 129.6 | 0 | 0 | 116 | | |
| 26 | E | 39.9 | Very low | 37.2 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | | | trans | -90.3 | 121.6 | 169.3 | -65 | 179.5 | 121.1 | 0 | 0 | 110.5 | V23 | V23-E26 HydrophobicContact CB-CG 4.34Å; V23-E26 HydrophobicContact CG1-CG 3.61Å |
| 27 | E | 40.9 | Very low | 37.3 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 59% | 0.593 | 69% | 0.688 | S | S | * | * | | | trans | -114.4 | 112.9 | 163.9 | -67 | -161.5 | 138 | 0 | 0 | 109.9 | Y29 | E27-Y29 HydrophobicContact CB-CD2 4.32Å; E27-Y29 HydrophobicContact CB-CE2 3.61Å; E27-Y29 PolarHBondContact OE2-OH 2.9Å |
| 28 | L | 39.7 | Very low | 37.5 | Very low | 121 Ų | 121 | 126 Ų | 126 | 63% | 0.634 | 67% | 0.67 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 119.8 | 173.8 | -85.1 | 159.3 | 0 | 0 | 0 | 109.6 | L42 | L28-L42 HydrophobicContact CD2-CD1 4.08Å; L28-L42 HydrophobicContact CD2-CG 4.46Å |
| 29 | Y | 39.9 | Very low | 37.9 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 112 | 171.3 | -66.2 | -87.8 | 0 | 0 | 0 | 109.2 | E27 G41 | E27-Y29 HydrophobicContact CB-CD2 4.32Å; E27-Y29 HydrophobicContact CB-CE2 3.61Å; E27-Y29 PolarHBondContact OE2-OH 2.9Å; Y29-G41 PolarHBondContact O-N 2.8Å |
| 30 | G | 37.3 | Very low | 38.4 | Very low | 61 Ų | 61 | 123 Ų | 123 | 63% | 0.629 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 31 | K | 36 | Very low | 38.8 | Very low | 175 Ų | 175 | 115.1 Ų | 115.1 | 76% | 0.761 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.2 | 168.5 | -171.6 | 173.6 | -178.5 | 172.1 | 0 | 108.6 | | |
| 32 | T | 34.1 | Very low | 39.2 | Very low | 109 Ų | 109 | 112.5 Ų | 112.5 | 67% | 0.669 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.3 | 123.8 | 171.3 | 43.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 33 | G | 38.8 | Very low | 40 | Very low | 35 Ų | 35 | 110.5 Ų | 110.5 | 36% | 0.361 | 57% | 0.566 | S | S | . | * | | | trans | -75.2 | 162.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N35 D37 | G33-N35 PolarHBondContact O-N 2.96Å; G33-D37 PolarHBondContact N-O 2.72Å; G33-D37 VanDerWaalsContact N-O 3.16Å |
| 34 | E | 39.8 | Very low | 40.2 | Very low | 207 Ų | 207 | 110.7 Ų | 110.7 | 97% | 0.967 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 5.5 | 178.4 | -78.1 | -178.5 | 88.2 | 0 | 0 | 114.8 | | |
| 35 | N | 40.2 | Very low | 40.6 | Very low | 128 Ų | 128 | 109.2 Ų | 109.2 | 68% | 0.684 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | 23.2 | -174.4 | -68 | -44.5 | 0 | 0 | 0 | 114.7 | G33 D37 | G33-N35 PolarHBondContact O-N 2.96Å; N35-D37 PolarHBondContact O-N 2.88Å; N35-D37 VanDerWaalsContact O-N 3.1Å |
| 36 | D | 40.7 | Very low | 40.8 | Very low | 164 Ų | 164 | 105.6 Ų | 105.6 | 88% | 0.877 | 55% | 0.55 | S | S | * | . | S | Bend | trans | 59.4 | 14.3 | -172.4 | -72.6 | -45.4 | 0 | 0 | 0 | 114.3 | E38 | D36-E38 PolarHBondContact O-N 2.69Š|
| 37 | D | 39.1 | Very low | 40.9 | Very low | 51 Ų | 51 | 103.1 Ų | 103.1 | 27% | 0.273 | 54% | 0.538 | S | S | . | . | | | trans | -77.4 | 109.9 | 168.7 | -62 | -47.3 | 0 | 0 | 0 | 108.4 | G33 N35 | G33-D37 PolarHBondContact N-O 2.72Å; G33-D37 VanDerWaalsContact N-O 3.16Å; N35-D37 PolarHBondContact O-N 2.88Å; N35-D37 VanDerWaalsContact O-N 3.1Å |
| 38 | E | 40.4 | Very low | 41.1 | Very low | 92 Ų | 92 | 99.1 Ų | 99.1 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 116.5 | 169.3 | -66.3 | -172.8 | 153.1 | 0 | 0 | 108.9 | D36 Y40 | D36-E38 PolarHBondContact O-N 2.69Å; E38-Y40 HydrophobicContact CB-CD2 4.17Å; E38-Y40 HydrophobicContact CB-CE2 3.48Å; E38-Y40 VanDerWaalsContact CB-CE2 3.48Å; E38-Y40 HydrophobicContact CG-CE2 4.35Å; E38-Y40 VanDerWaalsContact OE2-CE2 3.31Å; E38-Y40 WeakPolarHBondContact OE2-CE2 3.31Å; E38-Y40 PolarHBondContact OE2-OH 2.86Å |
| 39 | I | 42.5 | Very low | 41.4 | Very low | 75 Ų | 75 | 96.8 Ų | 96.8 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.8 | 174.1 | -57.4 | 177.8 | 0 | 0 | 0 | 107.4 | V50 | I39-V50 HydrophobicContact CG2-CG1 3.43Å; I39-V50 VanDerWaalsContact CG2-CG1 3.43Å |
| 40 | Y | 44.8 | Very low | 41.7 | Very low | 110 Ų | 110 | 91.8 Ų | 91.8 | 43% | 0.431 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 112.8 | 173.5 | -66 | -80.3 | 0 | 0 | 0 | 109 | E38 V50 E51 | E38-Y40 HydrophobicContact CB-CD2 4.17Å; E38-Y40 HydrophobicContact CB-CE2 3.48Å; E38-Y40 VanDerWaalsContact CB-CE2 3.48Å; E38-Y40 HydrophobicContact CG-CE2 4.35Å; E38-Y40 VanDerWaalsContact OE2-CE2 3.31Å; E38-Y40 WeakPolarHBondContact OE2-CE2 3.31Å; E38-Y40 PolarHBondContact OE2-OH 2.86Å; Y40-V50 WeakPolarHBondContact O-CA 3.33Å; Y40-E51 PolarHBondContact N-O 2.6Å; Y40-E51 VanDerWaalsContact N-O 3.07Å; Y40-E51 PolarHBondContact O-N 2.65Å |
| 41 | G | 43.3 | Very low | 42.1 | Very low | 11 Ų | 11 | 94.1 Ų | 94.1 | 11% | 0.113 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y29 T49 | Y29-G41 PolarHBondContact O-N 2.8Å; G41-T49 CarbonylContact C-O 3.57Å; G41-T49 WeakPolarHBondContact CA-O 3.17Å |
| 42 | L | 44.2 | Very low | 42.5 | Very low | 60 Ų | 60 | 89.1 Ų | 89.1 | 31% | 0.314 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.9 | 175.9 | -141.1 | 143.5 | 0 | 0 | 0 | 108.2 | L28 L44 T49 | L28-L42 HydrophobicContact CD2-CD1 4.08Å; L28-L42 HydrophobicContact CD2-CG 4.46Å; L42-L44 HydrophobicContact CD2-CD1 3.33Å; L42-L44 HydrophobicContact CD2-CG 3.74Å; L42-T49 PolarHBondContact N-O 3.41Å; L42-T49 PolarHBondContact O-N 2.99Å |
| 43 | V | 46 | Very low | 42.9 | Very low | 68 Ų | 68 | 91.7 Ų | 91.7 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.8 | -180 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | E47 L48 | V43-E47 WeakPolarHBondContact CA-O 3.36Å; V43-L48 HydrophobicContact CG2-CB 4.34Å; V43-L48 HydrophobicContact CG2-CD1 3.49Å; V43-L48 VanDerWaalsContact CG2-CD1 3.49Å |
| 44 | L | 40.9 | Very low | 43 | Very low | 65 Ų | 65 | 99.2 Ų | 99.2 | 34% | 0.34 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.8 | 178.2 | -77 | 158.3 | 0 | 0 | 0 | 109.1 | V23 L42 N46 E47 | V23-L44 HydrophobicContact CG1-CD2 3.54Å; V23-L44 HydrophobicContact CG2-CD2 4.24Å; L42-L44 HydrophobicContact CD2-CD1 3.33Å; L42-L44 HydrophobicContact CD2-CG 3.74Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 2.76Å; L44-E47 PolarHBondContact N-O 2.98Å; L44-E47 WeakPolarHBondContact O-CA 3.48Å; L44-E47 WeakPolarHBondContact O-CB 3.4Å; L44-E47 PolarHBondContact O-N 2.64Å |
| 45 | N | 45.2 | Very low | 42.9 | Very low | 148 Ų | 148 | 96.2 Ų | 96.2 | 79% | 0.791 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 40.1 | 175.2 | -61.9 | -48 | 0 | 0 | 0 | 115.3 | E47 | N45-E47 PolarHBondContact O-N 2.91Š|
| 46 | N | 43.4 | Very low | 42.8 | Very low | 115 Ų | 115 | 92.5 Ų | 92.5 | 62% | 0.615 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 18 | -172.4 | -57.6 | -21.6 | 0 | 0 | 0 | 114.8 | L44 V80 | L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 2.76Å; N46-V80 WeakPolarHBondContact O-CB 2.97Å; N46-V80 WeakPolarHBondContact O-CG2 3.36Å; N46-V80 PolarHBondContact O-N 3.1Å |
| 47 | E | 41 | Very low | 42.3 | Very low | 90 Ų | 90 | 90.5 Ų | 90.5 | 42% | 0.421 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127 | 168.1 | -70.1 | -176.2 | 89.4 | 0 | 0 | 109.3 | V43 L44 N45 K77 | V43-E47 WeakPolarHBondContact CA-O 3.36Å; L44-E47 PolarHBondContact N-O 2.98Å; L44-E47 WeakPolarHBondContact O-CA 3.48Å; L44-E47 WeakPolarHBondContact O-CB 3.4Å; L44-E47 PolarHBondContact O-N 2.64Å; N45-E47 PolarHBondContact O-N 2.91Å; E47-K77 IonicContact OE1-NZ 2.81Å; E47-K77 PolarHBondContact OE1-NZ 3.1Å |
| 48 | L | 45.6 | Very low | 41.9 | Very low | 43 Ų | 43 | 96.7 Ų | 96.7 | 23% | 0.225 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.3 | 171.5 | 172.7 | 67.6 | 0 | 0 | 0 | 108.4 | V43 V50 V80 | V43-L48 HydrophobicContact CG2-CB 4.34Å; V43-L48 HydrophobicContact CG2-CD1 3.49Å; V43-L48 VanDerWaalsContact CG2-CD1 3.49Å; L48-V50 HydrophobicContact CD1-CG2 4.09Å; L48-V50 HydrophobicContact CD2-CG2 3.95Å; L48-V50 HydrophobicContact CG-CG2 3.78Å; L48-V80 HydrophobicContact CB-CG2 3.54Å; L48-V80 VanDerWaalsContact N-CG2 3.28Å |
| 49 | T | 45.8 | Very low | 41.4 | Very low | 72 Ų | 72 | 97.5 Ų | 97.5 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.3 | 169.7 | -55.4 | 0 | 0 | 0 | 0 | 108.1 | G41 L42 | G41-T49 CarbonylContact C-O 3.57Å; G41-T49 WeakPolarHBondContact CA-O 3.17Å; L42-T49 PolarHBondContact N-O 3.41Å; L42-T49 PolarHBondContact O-N 2.99Å |
| 50 | V | 47.7 | Very low | 40.6 | Very low | 49 Ų | 49 | 103.4 Ų | 103.4 | 30% | 0.297 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121.8 | 177.9 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | I39 Y40 L48 | I39-V50 HydrophobicContact CG2-CG1 3.43Å; I39-V50 VanDerWaalsContact CG2-CG1 3.43Å; Y40-V50 WeakPolarHBondContact O-CA 3.33Å; L48-V50 HydrophobicContact CD1-CG2 4.09Å; L48-V50 HydrophobicContact CD2-CG2 3.95Å; L48-V50 HydrophobicContact CG-CG2 3.78Å |
| 51 | E | 45.5 | Very low | 39.8 | Very low | 109 Ų | 109 | 100.9 Ų | 100.9 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.7 | 166.1 | -71.7 | -171.2 | 109.1 | 0 | 0 | 108.7 | Y40 | Y40-E51 PolarHBondContact N-O 2.6Å; Y40-E51 VanDerWaalsContact N-O 3.07Å; Y40-E51 PolarHBondContact O-N 2.65Å |
| 52 | C | 43.4 | Very low | 39.1 | Very low | 71 Ų | 71 | 110.4 Ų | 110.4 | 48% | 0.48 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119 | 116.1 | 171.4 | -60.6 | 0 | 0 | 0 | 0 | 107.9 | R54 | C52-R54 PolarHBondContact O-N 3.1Å |
| 53 | E | 43.5 | Very low | 38.4 | Very low | 162 Ų | 162 | 113.9 Ų | 113.9 | 76% | 0.757 | 58% | 0.583 | S | S | * | * | | | trans | -80.6 | 108.7 | 162.5 | -70.7 | -170.5 | 134 | 0 | 0 | 107.4 | | |
| 54 | R | 41 | Very low | 37.8 | Very low | 193 Ų | 193 | 115.6 Ų | 115.6 | 73% | 0.728 | 60% | 0.598 | S | S | * | * | | | trans | -91.4 | 122 | 171.6 | -165.7 | 178.9 | -165.4 | 179 | 2.5 | 107.8 | C52 V56 D71 | C52-R54 PolarHBondContact O-N 3.1Å; R54-V56 PolarHBondContact O-N 3.32Å; R54-D71 VanDerWaalsContact O-OD1 3.08Å |
| 55 | N | 36.5 | Very low | 37.2 | Very low | 145 Ų | 145 | 119.3 Ų | 119.3 | 78% | 0.775 | 62% | 0.617 | S | S | * | * | | | trans | -80.1 | 100 | 175.7 | -137.3 | -21.5 | 0 | 0 | 0 | 108.9 | | |
| 56 | V | 37.4 | Very low | 36.5 | Very low | 50 Ų | 50 | 119.2 Ų | 119.2 | 30% | 0.303 | 61% | 0.605 | S | S | . | * | | | trans | -82.1 | 115.7 | 174.9 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | R54 D71 | R54-V56 PolarHBondContact O-N 3.32Å; V56-D71 WeakPolarHBondContact CB-OD1 3.33Å; V56-D71 WeakPolarHBondContact CG2-OD1 3.47Å |
| 57 | V | 31 | Very low | 36.5 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | | | trans | -77.2 | 123.5 | 178.8 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | I59 | V57-I59 PolarHBondContact O-N 3.16Š|
| 58 | E | 30.5 | Very low | 36.4 | Very low | 181 Ų | 181 | 123.1 Ų | 123.1 | 85% | 0.846 | 63% | 0.625 | S | S | * | * | | | trans | -46.4 | 117.2 | 171.7 | -86.1 | 178.6 | 105.1 | 0 | 0 | 111.3 | | |
| 59 | I | 29.9 | Very low | 36 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 56% | 0.559 | 63% | 0.632 | S | S | * | * | | | trans | -93.5 | 108.6 | 169.4 | -54.7 | 177.2 | 0 | 0 | 0 | 106.8 | V57 A61 | V57-I59 PolarHBondContact O-N 3.16Å; I59-A61 PolarHBondContact O-N 3.46Å |
| 60 | E | 26.6 | Very low | 35.5 | Very low | 199 Ų | 199 | 125.1 Ų | 125.1 | 93% | 0.93 | 64% | 0.636 | S | S | * | * | | | trans | -60.4 | 99.7 | 173.1 | -69.4 | -168.5 | 123.5 | 0 | 0 | 110.2 | | |
| 61 | A | 27.6 | Very low | 35.2 | Very low | 57 Ų | 57 | 127.9 Ų | 127.9 | 47% | 0.471 | 65% | 0.649 | S | S | . | * | | | trans | -106.3 | 109.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I59 E63 | I59-A61 PolarHBondContact O-N 3.46Å; A61-E63 WeakPolarHBondContact CB-O 3.22Å; A61-E63 PolarHBondContact O-N 2.94Å |
| 62 | E | 28.2 | Very low | 34.9 | Very low | 212 Ų | 212 | 126.1 Ų | 126.1 | 99% | 0.991 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -61.7 | 13.1 | 164.8 | -101.8 | -174.4 | 97.4 | 0 | 0 | 113.7 | | |
| 63 | E | 30.4 | Very low | 34.8 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 62% | 0.621 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -140.3 | 115.6 | 174.5 | -102.3 | -175.7 | 104.4 | 0 | 0 | 107.7 | A61 | A61-E63 WeakPolarHBondContact CB-O 3.22Å; A61-E63 PolarHBondContact O-N 2.94Å |
| 64 | S | 31.9 | Very low | 34.6 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | | | trans | 22.4 | 104.4 | 156 | -26.2 | 0 | 0 | 0 | 0 | 114.9 | R66 | S64-R66 PolarHBondContact O-N 3.07Š|
| 65 | I | 29.6 | Very low | 34.5 | Very low | 142 Ų | 142 | 125 Ų | 125 | 73% | 0.728 | 65% | 0.652 | S | S | * | * | | | trans | -35 | 104.8 | 173.6 | -60.4 | 161 | 0 | 0 | 0 | 109.5 | D69 | I65-D69 HydrophobicContact CG2-CB 4.18Å; I65-D69 VanDerWaalsContact CG2-OD2 3.23Å; I65-D69 WeakPolarHBondContact CG2-OD2 3.42Å |
| 66 | R | 31 | Very low | 35 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 55% | 0.551 | 64% | 0.639 | S | S | * | * | | | trans | -80.9 | 160.9 | 167.3 | -73.7 | 175.8 | -90.3 | -177.6 | -6.1 | 106.1 | S64 E68 | S64-R66 PolarHBondContact O-N 3.07Å; R66-E68 PolarHBondContact O-N 2.8Å |
| 67 | D | 41.6 | Very low | 35.1 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 83% | 0.834 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 19.5 | -178.3 | -63.5 | -77.3 | 0 | 0 | 0 | 116.5 | | |
| 68 | E | 39.1 | Very low | 35.6 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -9.3 | -179.4 | -66.4 | 175.6 | 152.6 | 0 | 0 | 113.2 | R66 | R66-E68 PolarHBondContact O-N 2.8Š|
| 69 | D | 38.6 | Very low | 36.2 | Very low | 69 Ų | 69 | 120.9 Ų | 120.9 | 37% | 0.369 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -99.1 | 30.5 | 177.5 | -66.2 | -40.6 | 0 | 0 | 0 | 113.4 | I65 | I65-D69 HydrophobicContact CG2-CB 4.18Å; I65-D69 VanDerWaalsContact CG2-OD2 3.23Å; I65-D69 WeakPolarHBondContact CG2-OD2 3.42Å |
| 70 | V | 34.2 | Very low | 36.9 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 54% | 0.539 | 62% | 0.619 | S | S | . | * | | | trans | -101.6 | 107.4 | -177.2 | -175.2 | 0 | 0 | 0 | 0 | 110.3 | A72 | V70-A72 VanDerWaalsContact C-N 3.25Å; V70-A72 PolarHBondContact O-N 2.88Å |
| 71 | D | 41.1 | Very low | 37.7 | Very low | 107 Ų | 107 | 112.6 Ų | 112.6 | 57% | 0.572 | 60% | 0.604 | S | S | * | * | | | trans | -64.7 | 88.5 | 158.5 | -78.1 | -46.4 | 0 | 0 | 0 | 108.9 | R54 V56 M73 | R54-D71 VanDerWaalsContact O-OD1 3.08Å; V56-D71 WeakPolarHBondContact CB-OD1 3.33Å; V56-D71 WeakPolarHBondContact CG2-OD1 3.47Å; D71-M73 PolarHBondContact O-N 2.84Å |
| 72 | A | 40.5 | Very low | 38.4 | Very low | 72 Ų | 72 | 118 Ų | 118 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | | | trans | -77.8 | 99.4 | 174 | 0 | 0 | 0 | 0 | 0 | 109.2 | V70 I74 | V70-A72 VanDerWaalsContact C-N 3.25Å; V70-A72 PolarHBondContact O-N 2.88Å; A72-I74 PolarHBondContact O-N 2.92Å |
| 73 | M | 40.1 | Very low | 39.1 | Very low | 116 Ų | 116 | 114.6 Ų | 114.6 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | | | trans | -69 | 107 | 165.7 | -162.4 | 171.9 | -165.3 | 0 | 0 | 108.5 | D71 F75 | D71-M73 PolarHBondContact O-N 2.84Å; M73-F75 HydrophobicContact CB-CE2 4.32Å; M73-F75 HydrophobicContact CE-CE1 3.85Å; M73-F75 HydrophobicContact CE-CE2 4.12Å; M73-F75 HydrophobicContact CE-CZ 3.35Å; M73-F75 HydrophobicContact CG-CD2 4.24Å; M73-F75 HydrophobicContact CG-CE2 3.63Å; M73-F75 HydrophobicContact CG-CZ 3.85Å; M73-F75 HydrophobicContact SD-CE1 4.36Å; M73-F75 HydrophobicContact SD-CE2 3.52Å; M73-F75 VanDerWaalsContact SD-CE2 3.52Å; M73-F75 HydrophobicContact SD-CZ 3.36Å; M73-F75 WeakPolarHBondContact SD-CZ 3.36Å |
| 74 | I | 40.3 | Very low | 39.3 | Very low | 144 Ų | 144 | 113.9 Ų | 113.9 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | | | trans | -95.2 | 105.3 | 177.1 | -58.5 | 176.3 | 0 | 0 | 0 | 108.1 | A72 G76 | A72-I74 PolarHBondContact O-N 2.92Å; I74-G76 PolarHBondContact O-N 3.25Å |
| 75 | F | 39.4 | Very low | 39.7 | Very low | 143 Ų | 143 | 115.8 Ų | 115.8 | 63% | 0.627 | 61% | 0.608 | S | S | * | * | | | trans | -81.8 | 106.1 | 165.1 | -66 | -82.2 | 0 | 0 | 0 | 108.9 | M73 | M73-F75 HydrophobicContact CB-CE2 4.32Å; M73-F75 HydrophobicContact CE-CE1 3.85Å; M73-F75 HydrophobicContact CE-CE2 4.12Å; M73-F75 HydrophobicContact CE-CZ 3.35Å; M73-F75 HydrophobicContact CG-CD2 4.24Å; M73-F75 HydrophobicContact CG-CE2 3.63Å; M73-F75 HydrophobicContact CG-CZ 3.85Å; M73-F75 HydrophobicContact SD-CE1 4.36Å; M73-F75 HydrophobicContact SD-CE2 3.52Å; M73-F75 VanDerWaalsContact SD-CE2 3.52Å; M73-F75 HydrophobicContact SD-CZ 3.36Å; M73-F75 WeakPolarHBondContact SD-CZ 3.36Å |
| 76 | G | 46.1 | Very low | 40.2 | Very low | 49 Ų | 49 | 117.3 Ų | 117.3 | 51% | 0.505 | 62% | 0.617 | S | S | . | * | | | trans | -100.7 | 131.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | I74 | I74-G76 PolarHBondContact O-N 3.25Š|
| 77 | K | 39.7 | Very low | 40.6 | Very low | 179 Ų | 179 | 118.4 Ų | 118.4 | 78% | 0.778 | 63% | 0.628 | S | S | * | * | | | trans | -94 | 124.4 | 162.8 | -75 | -170.2 | 168.6 | -135.4 | 0 | 108.6 | E47 | E47-K77 IonicContact OE1-NZ 2.81Å; E47-K77 PolarHBondContact OE1-NZ 3.1Å |
| 78 | V | 42.1 | Very low | 40.8 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 46% | 0.461 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.5 | 170.5 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | V80 F83 | V78-V80 PolarHBondContact O-N 3.38Å; V78-F83 HydrophobicContact CG1-CE2 4.34Å |
| 79 | D | 42 | Very low | 41.2 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 57% | 0.567 | 64% | 0.641 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.6 | 115.1 | 169.5 | -168.2 | -57.3 | 0 | 0 | 0 | 107.9 | T81 | D79-T81 PolarHBondContact O-N 2.95Å; D79-T81 WeakPolarHBondContact OD1-CB 3.23Å; D79-T81 WeakPolarHBondContact OD1-CG2 3.48Å; D79-T81 PolarHBondContact OD1-N 2.51Å; D79-T81 PolarHBondContact OD1-OG1 3.44Å |
| 80 | V | 45.5 | Very low | 41.7 | Very low | 33 Ų | 33 | 126.1 Ų | 126.1 | 20% | 0.2 | 66% | 0.662 | C | S | . | * | G | 310 helix | trans | -81.2 | -0.8 | -172.3 | -162 | 0 | 0 | 0 | 0 | 111 | N46 L48 V78 E82 F83 | N46-V80 WeakPolarHBondContact O-CB 2.97Å; N46-V80 WeakPolarHBondContact O-CG2 3.36Å; N46-V80 PolarHBondContact O-N 3.1Å; L48-V80 HydrophobicContact CB-CG2 3.54Å; L48-V80 VanDerWaalsContact N-CG2 3.28Å; V78-V80 PolarHBondContact O-N 3.38Å; V80-E82 PolarHBondContact O-N 3.34Å; V80-E82 VanDerWaalsContact O-N 3.1Å; V80-F83 HydrophobicContact CB-CD2 4.22Å; V80-F83 HydrophobicContact CG1-CB 4.38Å; V80-F83 HydrophobicContact CG1-CD2 3.46Å; V80-F83 VanDerWaalsContact CG1-CD2 3.46Å; V80-F83 HydrophobicContact CG1-CE2 4.06Å; V80-F83 HydrophobicContact CG1-CG 4.22Å; V80-F83 PolarHBondContact O-N 3.33Å; V80-F83 VanDerWaalsContact O-N 3.1Å |
| 81 | T | 41.9 | Very low | 42.4 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 62% | 0.62 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -68.6 | -7.3 | 178.7 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | D79 | D79-T81 PolarHBondContact O-N 2.95Å; D79-T81 WeakPolarHBondContact OD1-CB 3.23Å; D79-T81 WeakPolarHBondContact OD1-CG2 3.48Å; D79-T81 PolarHBondContact OD1-N 2.51Å; D79-T81 PolarHBondContact OD1-OG1 3.44Å |
| 82 | E | 43.7 | Very low | 42.7 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -91 | -5.5 | 172.1 | -70.6 | -167 | 159.2 | 0 | 0 | 114.6 | V80 T84 | V80-E82 PolarHBondContact O-N 3.34Å; V80-E82 VanDerWaalsContact O-N 3.1Å; E82-T84 PolarHBondContact O-N 3.24Å |
| 83 | F | 42.5 | Very low | 43.3 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 61% | 0.614 | 69% | 0.686 | S | S | * | * | | | trans | -80.7 | 75.6 | 169.3 | -66.8 | -90.4 | 0 | 0 | 0 | 108.9 | V78 V80 D85 | V78-F83 HydrophobicContact CG1-CE2 4.34Å; V80-F83 HydrophobicContact CB-CD2 4.22Å; V80-F83 HydrophobicContact CG1-CB 4.38Å; V80-F83 HydrophobicContact CG1-CD2 3.46Å; V80-F83 VanDerWaalsContact CG1-CD2 3.46Å; V80-F83 HydrophobicContact CG1-CE2 4.06Å; V80-F83 HydrophobicContact CG1-CG 4.22Å; V80-F83 PolarHBondContact O-N 3.33Å; V80-F83 VanDerWaalsContact O-N 3.1Å; F83-D85 PolarHBondContact O-N 3.43Å |
| 84 | T | 35.2 | Very low | 43.8 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.724 | 68% | 0.684 | S | S | * | * | | | trans | -60.1 | 129.2 | 155.2 | 49.8 | 0 | 0 | 0 | 0 | 106.8 | E82 L86 | E82-T84 PolarHBondContact O-N 3.24Å; T84-L86 PolarHBondContact O-N 2.86Å |
| 85 | D | 39.1 | Very low | 44.4 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | | | trans | -37.7 | 117.4 | 170.1 | -62.6 | -67.8 | 0 | 0 | 0 | 108.2 | F83 E87 | F83-D85 PolarHBondContact O-N 3.43Å; D85-E87 HydrophobicContact CB-CG 4.48Å; D85-E87 PolarHBondContact O-N 3.29Å |
| 86 | L | 40.3 | Very low | 45.1 | Very low | 174 Ų | 174 | 135.2 Ų | 135.2 | 91% | 0.911 | 69% | 0.691 | S | S | * | * | | | trans | -63.1 | 86.5 | 151.6 | -76.1 | 166.5 | 0 | 0 | 0 | 102.4 | T84 D88 | T84-L86 PolarHBondContact O-N 2.86Å; L86-D88 PolarHBondContact O-N 3.2Å |
| 87 | E | 40.2 | Very low | 45.3 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | | | trans | -45.9 | 119 | 163.4 | -67.8 | -169 | 125.9 | 0 | 0 | 103.6 | D85 E89 | D85-E87 HydrophobicContact CB-CG 4.48Å; D85-E87 PolarHBondContact O-N 3.29Å; E87-E89 PolarHBondContact O-N 3.38Å |
| 88 | D | 46 | Very low | 45.8 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | | | trans | -40.6 | 114.8 | 167.5 | -82.8 | -61.6 | 0 | 0 | 0 | 105 | L86 E90 | L86-D88 PolarHBondContact O-N 3.2Å; D88-E90 PolarHBondContact O-N 3.28Å |
| 89 | E | 46.5 | Very low | 46.4 | Very low | 192 Ų | 192 | 133.2 Ų | 133.2 | 90% | 0.897 | 68% | 0.68 | S | S | * | * | | | trans | -62.4 | 85.6 | 165.8 | -78.1 | -162.6 | 124.7 | 0 | 0 | 103.9 | E87 E91 | E87-E89 PolarHBondContact O-N 3.38Å; E89-E91 VanDerWaalsContact C-N 3.29Å; E89-E91 PolarHBondContact O-N 2.9Å |
| 90 | E | 49.3 | Very low | 47 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | | | trans | -54.3 | 109.2 | 161.1 | -72.6 | -147.9 | 137.8 | 0 | 0 | 103.2 | D88 E92 | D88-E90 PolarHBondContact O-N 3.28Å; E90-E92 VanDerWaalsContact C-N 3.27Å; E90-E92 PolarHBondContact O-N 2.96Å |
| 91 | E | 48.8 | Very low | 47.4 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | | | trans | -47.9 | 101.6 | 169 | -78.6 | -172.3 | 121.8 | 0 | 0 | 106.4 | E89 T93 | E89-E91 VanDerWaalsContact C-N 3.29Å; E89-E91 PolarHBondContact O-N 2.9Å; E91-T93 PolarHBondContact O-N 3.18Å |
| 92 | E | 47.6 | Very low | 48.2 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | | | trans | -65.7 | 81.4 | 167.6 | -89.1 | -148.1 | 109.6 | 0 | 0 | 106 | E90 P94 | E90-E92 VanDerWaalsContact C-N 3.27Å; E90-E92 PolarHBondContact O-N 2.96Å; E92-P94 WeakPolarHBondContact O-CD 3.42Å |
| 93 | T | 52.5 | Low | 48.9 | Very low | 88 Ų | 88 | 139.2 Ų | 139.2 | 54% | 0.54 | 69% | 0.694 | S | S | . | * | | | trans | -58.6 | 120.6 | 162.3 | 53.4 | 0 | 0 | 0 | 0 | 105.7 | E91 K95 | E91-T93 PolarHBondContact O-N 3.18Å; T93-K95 PolarHBondContact O-N 3.19Å |
| 94 | P | 50.3 | Low | 49.6 | Very low | 83 Ų | 83 | 138 Ų | 138 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | | | trans | -58.9 | 117.2 | -177.4 | 19.1 | -29 | 0 | 0 | 0 | 107.8 | E92 E96 A97 | E92-P94 WeakPolarHBondContact O-CD 3.42Å; P94-E96 PolarHBondContact O-N 2.81Å; P94-A97 HydrophobicContact CG-CB 4.13Å; P94-A97 WeakPolarHBondContact O-CB 3.06Å; P94-A97 PolarHBondContact O-N 2.87Å |
| 95 | K | 54.1 | Low | 50.7 | Low | 173 Ų | 173 | 139.4 Ų | 139.4 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -52.8 | -19 | 177.8 | -73.6 | 176.1 | 178.8 | 165.3 | 0 | 112.6 | T93 | T93-K95 PolarHBondContact O-N 3.19Å |
| 96 | E | 52.8 | Low | 51.7 | Low | 162 Ų | 162 | 139.9 Ų | 139.9 | 76% | 0.757 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -70.5 | -32 | 173.2 | -63.8 | -172 | 132.9 | 0 | 0 | 113.3 | P94 L99 E100 | P94-E96 PolarHBondContact O-N 2.81Å; E96-L99 PolarHBondContact O-N 2.64Å; E96-E100 PolarHBondContact O-N 2.97Å |
| 97 | A | 50.6 | Low | 52.5 | Low | 48 Ų | 48 | 137.8 Ų | 137.8 | 40% | 0.397 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -72.4 | -30.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P94 L101 | P94-A97 HydrophobicContact CG-CB 4.13Å; P94-A97 WeakPolarHBondContact O-CB 3.06Å; P94-A97 PolarHBondContact O-N 2.87Å; A97-L101 PolarHBondContact O-N 2.88Å |
| 98 | L | 51.7 | Low | 53.3 | Low | 97 Ų | 97 | 137.9 Ų | 137.9 | 51% | 0.508 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -75.3 | -24.3 | 176.1 | -102.2 | 163.6 | 0 | 0 | 0 | 113.2 | | |
| 99 | L | 53.5 | Low | 53.9 | Low | 116 Ų | 116 | 138.9 Ų | 138.9 | 61% | 0.607 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -78.9 | -29.4 | 175.7 | -106.5 | 102.1 | 0 | 0 | 0 | 113 | E96 K103 | E96-L99 PolarHBondContact O-N 2.64Å; L99-K103 PolarHBondContact O-N 2.82Å |
| 100 | E | 55.2 | Low | 54.4 | Low | 141 Ų | 141 | 139.1 Ų | 139.1 | 66% | 0.659 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76.4 | -31.7 | 176.3 | -71.1 | -167 | 132.3 | 0 | 0 | 112.5 | E96 N104 | E96-E100 PolarHBondContact O-N 2.97Å; E100-N104 PolarHBondContact O-N 3.2Å; E100-N104 PolarHBondContact O-ND2 3.44Å |
| 101 | L | 54.7 | Low | 54.6 | Low | 112 Ų | 112 | 145.1 Ų | 145.1 | 59% | 0.586 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -68.5 | -41.2 | 174.5 | -72.3 | 168.5 | 0 | 0 | 0 | 112.2 | A97 K103 N104 E105 | A97-L101 PolarHBondContact O-N 2.88Å; L101-K103 PolarHBondContact O-N 2.85Å; L101-N104 PolarHBondContact O-N 3.23Å; L101-E105 PolarHBondContact O-N 3.43Å |
| 102 | K | 57.5 | Low | 54.9 | Low | 141 Ų | 141 | 143.7 Ų | 143.7 | 61% | 0.613 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -69.1 | -30.3 | 179.1 | -74.2 | -170.9 | 176.2 | -175.4 | 0 | 114 | N104 | K102-N104 VanDerWaalsContact C-N 3.3Å |
| 103 | K | 58.1 | Low | 55.3 | Low | 144 Ų | 144 | 141.6 Ų | 141.6 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.2 | -26.4 | 174.4 | -84.4 | -177.6 | 176.1 | 176.2 | 0 | 113.2 | L99 L101 | L99-K103 PolarHBondContact O-N 2.82Å; L101-K103 PolarHBondContact O-N 2.85Å |
| 104 | N | 58.3 | Low | 55.4 | Low | 114 Ų | 114 | 144.6 Ų | 144.6 | 61% | 0.61 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -84 | -22.5 | 178.9 | -67.5 | -17.3 | 0 | 0 | 0 | 112.6 | E100 L101 K102 | E100-N104 PolarHBondContact O-N 3.2Å; E100-N104 PolarHBondContact O-ND2 3.44Å; L101-N104 PolarHBondContact O-N 3.23Å; K102-N104 VanDerWaalsContact C-N 3.3Å |
| 105 | E | 58.3 | Low | 55.7 | Low | 147 Ų | 147 | 148.2 Ų | 148.2 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -78 | -32.2 | 176.2 | -119 | 171.3 | 105 | 0 | 0 | 112.8 | L101 D107 | L101-E105 PolarHBondContact O-N 3.43Å; E105-D107 PolarHBondContact O-N 2.7Å |
| 106 | E | 58.6 | Low | 55.8 | Low | 154 Ų | 154 | 146.7 Ų | 146.7 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -18.3 | 179.1 | -70.6 | -173.3 | 117.7 | 0 | 0 | 114 | | |
| 107 | D | 57.6 | Low | 56 | Low | 130 Ų | 130 | 145.7 Ų | 145.7 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -13.2 | 177.6 | -106.7 | -61.8 | 0 | 0 | 0 | 113.5 | E105 | E105-D107 PolarHBondContact O-N 2.7Š|
| 108 | E | 58 | Low | 56.4 | Low | 171 Ų | 171 | 152.6 Ų | 152.6 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -17.9 | 176.1 | -101.1 | -168.9 | 152.4 | 0 | 0 | 114.1 | | |
| 109 | E | 58.7 | Low | 56.8 | Low | 175 Ų | 175 | 156.9 Ų | 156.9 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -2.1 | 179.8 | -141.6 | -174.7 | 144.2 | 0 | 0 | 114 | | |
| 110 | F | 56.8 | Low | 57 | Low | 197 Ų | 197 | 160.3 Ų | 160.3 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 20.1 | -178.2 | -96.8 | -84.8 | 0 | 0 | 0 | 115.5 | | |
| 111 | R | 52.6 | Low | 57.2 | Low | 298 Ų | 298 | 162.1 Ų | 162.1 | 100% | 1.125 | 74% | 0.74 | S | S | * | * | | | trans | -116.7 | 0 | 177.9 | -121.6 | -176.7 | -172.6 | 172.2 | 6.5 | 115.4 | | |