| 1 | M | 37.8 | Very low | 38.7 | Very low | 236 Ų | 236 | 127 Ų | 127 | 100% | 1.163 | 66% | 0.656 | S | S | * | * | | | | 0 | 122.8 | 0 | -82.4 | 165.2 | 150 | 0 | 0 | 108.8 | M3 | M1-M3 PolarHBondContact O-N 2.91Š|
| 2 | K | 29.6 | Very low | 38.7 | Very low | 213 Ų | 213 | 120.4 Ų | 120.4 | 93% | 0.926 | 63% | 0.629 | S | S | * | * | | | trans | -87.6 | 102.9 | -178.7 | -149.3 | 175.8 | -172.3 | 178.8 | 0 | 107 | S4 | K2-S4 PolarHBondContact O-N 3.19Š|
| 3 | M | 33.4 | Very low | 39.3 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 74% | 0.739 | 64% | 0.644 | S | S | * | * | | | trans | -74.2 | 106.3 | 179.1 | -65 | -175.5 | -161 | 0 | 0 | 108.9 | M1 S5 | M1-M3 PolarHBondContact O-N 2.91Å; M3-S5 PolarHBondContact O-N 3.22Å |
| 4 | S | 33.2 | Very low | 39.5 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | | | trans | -79.9 | 105.1 | 169.7 | 54.8 | 0 | 0 | 0 | 0 | 108.6 | K2 C6 | K2-S4 PolarHBondContact O-N 3.19Å; S4-C6 PolarHBondContact O-N 2.62Å; S4-C6 VanDerWaalsContact O-N 3.15Å |
| 5 | S | 42.1 | Very low | 39.7 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | | | trans | -69 | 107.8 | 170 | 53.5 | 0 | 0 | 0 | 0 | 109.4 | M3 W7 | M3-S5 PolarHBondContact O-N 3.22Å; S5-W7 VanDerWaalsContact O-CD1 3.31Å; S5-W7 PolarHBondContact O-N 2.89Å; S5-W7 PolarHBondContact OG-NE1 3.07Å |
| 6 | C | 42.9 | Very low | 39.8 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 68% | 0.676 | 64% | 0.639 | S | S | * | * | | | trans | -79.3 | 112.3 | 175.4 | -59.3 | 0 | 0 | 0 | 0 | 109.4 | S4 | S4-C6 PolarHBondContact O-N 2.62Å; S4-C6 VanDerWaalsContact O-N 3.15Å |
| 7 | W | 40.3 | Very low | 39.7 | Very low | 129 Ų | 129 | 111.3 Ų | 111.3 | 49% | 0.489 | 61% | 0.61 | S | S | . | * | | | trans | -102.6 | 127.6 | 173.5 | -63 | 92 | 0 | 0 | 0 | 109.1 | S5 L20 K22 | S5-W7 VanDerWaalsContact O-CD1 3.31Å; S5-W7 PolarHBondContact O-N 2.89Å; S5-W7 PolarHBondContact OG-NE1 3.07Å; W7-L20 HydrophobicContact CE3-CD2 4.25Å; W7-K22 HydrophobicContact CE3-CB 4.38Å; W7-K22 HydrophobicContact CH2-CB 4.27Å; W7-K22 HydrophobicContact CH2-CD 3.84Å; W7-K22 HydrophobicContact CH2-CG 4.39Å; W7-K22 HydrophobicContact CZ2-CD 4.18Å; W7-K22 HydrophobicContact CZ3-CB 3.89Å; W7-K22 HydrophobicContact CZ3-CD 4.33Å; W7-K22 HydrophobicContact CZ3-CG 4.43Å |
| 8 | S | 40.8 | Very low | 39.6 | Very low | 74 Ų | 74 | 107.3 Ų | 107.3 | 52% | 0.517 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.1 | 171.5 | -59.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 9 | R | 42.2 | Very low | 39.8 | Very low | 172 Ų | 172 | 101.8 Ų | 101.8 | 65% | 0.649 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.1 | 171.1 | 178.2 | 177.8 | 173.8 | 163.3 | -0.1 | 107.6 | D11 | R9-D11 IonicContact CZ-OD1 3.33Å; R9-D11 IonicContact CZ-OD2 3.91Å; R9-D11 IonicContact NE-OD1 2.8Å; R9-D11 PolarHBondContact NE-OD1 3.18Å; R9-D11 IonicContact NE-OD2 3.28Å; R9-D11 PolarHBondContact NE-OD2 3.26Å; R9-D11 IonicContact NH2-OD1 2.96Å; R9-D11 PolarHBondContact NH2-OD1 3.08Å; R9-D11 IonicContact NH2-OD2 3.91Å |
| 10 | V | 44.7 | Very low | 40.1 | Very low | 52 Ų | 52 | 99.6 Ų | 99.6 | 32% | 0.315 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109 | 171.1 | -174.7 | 0 | 0 | 0 | 0 | 107.1 | V19 I21 | V10-V19 PolarHBondContact N-O 3.3Å; V10-V19 PolarHBondContact O-N 3.16Å; V10-I21 HydrophobicContact CG2-CD1 4.44Å |
| 11 | D | 38.2 | Very low | 40.4 | Very low | 95 Ų | 95 | 95.1 Ų | 95.1 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 115.1 | 173.4 | -68.5 | -52.2 | 0 | 0 | 0 | 108.4 | R9 | R9-D11 IonicContact CZ-OD1 3.33Å; R9-D11 IonicContact CZ-OD2 3.91Å; R9-D11 IonicContact NE-OD1 2.8Å; R9-D11 PolarHBondContact NE-OD1 3.18Å; R9-D11 IonicContact NE-OD2 3.28Å; R9-D11 PolarHBondContact NE-OD2 3.26Å; R9-D11 IonicContact NH2-OD1 2.96Å; R9-D11 PolarHBondContact NH2-OD1 3.08Å; R9-D11 IonicContact NH2-OD2 3.91Å |
| 12 | S | 39.2 | Very low | 41 | Very low | 48 Ų | 48 | 88.1 Ų | 88.1 | 34% | 0.336 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 90 | 172 | -57.7 | 0 | 0 | 0 | 0 | 109.2 | S15 T17 | S12-S15 PolarHBondContact O-N 3.31Å; S12-T17 WeakPolarHBondContact CB-O 3.07Å; S12-T17 PolarHBondContact N-O 2.95Å |
| 13 | E | 46.6 | Very low | 41.8 | Very low | 175 Ų | 175 | 85.7 Ų | 85.7 | 82% | 0.818 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 150.9 | 170.3 | -85.3 | -87.1 | 106.2 | 0 | 0 | 111.7 | | |
| 14 | P | 42.3 | Very low | 42.3 | Very low | 120 Ų | 120 | 86.7 Ų | 86.7 | 78% | 0.779 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -99.4 | 26.3 | -19.4 | 38.4 | -29 | 0 | 0 | 0 | 111.4 | G16 | P14-G16 VanDerWaalsContact C-N 3.28Å; P14-G16 PolarHBondContact O-N 2.91Å |
| 15 | S | 42.6 | Very low | 42.6 | Very low | 71 Ų | 71 | 89.8 Ų | 89.8 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 6.4 | -174.3 | 68.7 | 0 | 0 | 0 | 0 | 114.6 | S12 T17 | S12-S15 PolarHBondContact O-N 3.31Å; S15-T17 PolarHBondContact O-N 3.06Å; S15-T17 PolarHBondContact O-OG1 3.16Å |
| 16 | G | 41.6 | Very low | 42.3 | Very low | 57 Ų | 57 | 92.4 Ų | 92.4 | 59% | 0.588 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 14.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | P14 | P14-G16 VanDerWaalsContact C-N 3.28Å; P14-G16 PolarHBondContact O-N 2.91Å |
| 17 | T | 37.4 | Very low | 41.7 | Very low | 24 Ų | 24 | 97.7 Ų | 97.7 | 15% | 0.147 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 108.4 | -177.6 | -61 | 0 | 0 | 0 | 0 | 109.2 | S12 S15 V19 V79 F80 | S12-T17 WeakPolarHBondContact CB-O 3.07Å; S12-T17 PolarHBondContact N-O 2.95Å; S15-T17 PolarHBondContact O-N 3.06Å; S15-T17 PolarHBondContact O-OG1 3.16Å; T17-V19 HydrophobicContact CG2-CG2 4.31Å; T17-V79 HydrophobicContact CG2-CG1 3.72Å; T17-F80 WeakPolarHBondContact CA-O 3.04Å; T17-F80 WeakPolarHBondContact CG2-O 3.38Å |
| 18 | S | 37.2 | Very low | 41.2 | Very low | 39 Ų | 39 | 97.5 Ų | 97.5 | 27% | 0.273 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 141.8 | 169.4 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | F80 | S18-F80 VanDerWaalsContact O-CD2 3.31Å; S18-F80 WeakPolarHBondContact O-CD2 3.42Å; S18-F80 PolarHBondContact O-N 2.68Å |
| 19 | V | 44.7 | Very low | 40.6 | Very low | 4 Ų | 4 | 100.5 Ų | 100.5 | 2% | 0.024 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | V10 T17 I21 I77 L78 | V10-V19 PolarHBondContact N-O 3.3Å; V10-V19 PolarHBondContact O-N 3.16Å; T17-V19 HydrophobicContact CG2-CG2 4.31Å; V19-I21 HydrophobicContact CG1-CD1 4.49Å; V19-I21 HydrophobicContact CG1-CG1 4.05Å; V19-I77 HydrophobicContact CG1-CG2 3.64Å; V19-L78 WeakPolarHBondContact CA-O 3.46Å |
| 20 | L | 45.2 | Very low | 40 | Very low | 56 Ų | 56 | 98 Ų | 98 | 29% | 0.293 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.8 | 172.4 | -77.4 | 166.1 | 0 | 0 | 0 | 109.3 | W7 L78 F80 | W7-L20 HydrophobicContact CE3-CD2 4.25Å; L20-L78 HydrophobicContact CB-CB 4.47Å; L20-L78 PolarHBondContact N-O 3.2Å; L20-L78 PolarHBondContact O-N 2.97Å; L20-F80 HydrophobicContact CB-CE2 4.48Å; L20-F80 HydrophobicContact CD1-CE2 3.94Å; L20-F80 HydrophobicContact CD1-CZ 4.28Å; L20-F80 HydrophobicContact CG-CE2 4.38Å |
| 21 | I | 47.2 | Very low | 39.7 | Very low | 7 Ų | 7 | 103.3 Ų | 103.3 | 4% | 0.036 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.8 | -179.6 | -59.4 | 169.6 | 0 | 0 | 0 | 108.2 | V10 V19 H70 T75 | V10-I21 HydrophobicContact CG2-CD1 4.44Å; V19-I21 HydrophobicContact CG1-CD1 4.49Å; V19-I21 HydrophobicContact CG1-CG1 4.05Å; I21-H70 VanDerWaalsContact CD1-CD2 3.42Å; I21-H70 WeakPolarHBondContact CD1-CD2 3.4Å; I21-H70 WeakPolarHBondContact CD1-NE2 3.31Å; I21-T75 HydrophobicContact CG2-CG2 3.82Å |
| 22 | K | 50.5 | Low | 39.4 | Very low | 89 Ų | 89 | 107.3 Ų | 107.3 | 39% | 0.387 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.5 | 171.9 | -174 | 177.3 | -178.6 | 175.1 | 0 | 108.9 | W7 R24 | W7-K22 HydrophobicContact CE3-CB 4.38Å; W7-K22 HydrophobicContact CH2-CB 4.27Å; W7-K22 HydrophobicContact CH2-CD 3.84Å; W7-K22 HydrophobicContact CH2-CG 4.39Å; W7-K22 HydrophobicContact CZ2-CD 4.18Å; W7-K22 HydrophobicContact CZ3-CB 3.89Å; W7-K22 HydrophobicContact CZ3-CD 4.33Å; W7-K22 HydrophobicContact CZ3-CG 4.43Å; K22-R24 PolarHBondContact O-N 3.07Å |
| 23 | K | 45.3 | Very low | 39.4 | Very low | 162 Ų | 162 | 116 Ų | 116 | 70% | 0.704 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.7 | 114.2 | 165.4 | -70.9 | -177 | 177.7 | 179.9 | 0 | 107.6 | E25 | K23-E25 PolarHBondContact O-N 2.77Å |
| 24 | R | 44.8 | Very low | 39 | Very low | 170 Ų | 170 | 112.8 Ų | 112.8 | 64% | 0.642 | 57% | 0.568 | S | S | * | * | | | trans | -73.6 | 120 | 165.8 | -90.4 | -176.3 | 166.4 | -176 | -3.7 | 107.6 | K22 I26 | K22-R24 PolarHBondContact O-N 3.07Å; R24-I26 PolarHBondContact O-N 2.96Å |
| 25 | E | 39.3 | Very low | 38.5 | Very low | 166 Ų | 166 | 112.8 Ų | 112.8 | 78% | 0.776 | 57% | 0.568 | S | S | * | * | | | trans | -58.4 | 131 | 153.5 | -74.7 | 179.7 | 150.7 | 0 | 0 | 107.1 | K23 W27 | K23-E25 PolarHBondContact O-N 2.77Å; E25-W27 PolarHBondContact O-N 3.28Å |
| 26 | I | 36.5 | Very low | 38.3 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 67% | 0.672 | 59% | 0.585 | S | S | * | * | | | trans | -60 | 106.9 | -174.3 | -61.9 | 164.3 | 0 | 0 | 0 | 108 | R24 T28 | R24-I26 PolarHBondContact O-N 2.96Å; I26-T28 HydrophobicContact CG2-CG2 4.35Å; I26-T28 PolarHBondContact O-N 2.8Å |
| 27 | W | 29.3 | Very low | 38.1 | Very low | 210 Ų | 210 | 121.8 Ų | 121.8 | 80% | 0.795 | 60% | 0.599 | S | S | * | * | | | trans | -81.1 | 99.6 | 161.4 | -98.9 | 40.2 | 0 | 0 | 0 | 107.3 | E25 H29 | E25-W27 PolarHBondContact O-N 3.28Å; W27-H29 PolarHBondContact O-N 3.28Å |
| 28 | T | 29.7 | Very low | 38.9 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 77% | 0.767 | 64% | 0.638 | S | S | * | * | | | trans | -72.2 | 80.5 | 160.5 | 19.9 | 0 | 0 | 0 | 0 | 108.1 | I26 T30 | I26-T28 HydrophobicContact CG2-CG2 4.35Å; I26-T28 PolarHBondContact O-N 2.8Å; T28-T30 PolarHBondContact O-N 3.23Å |
| 29 | H | 29.1 | Very low | 38.8 | Very low | 137 Ų | 137 | 131 Ų | 131 | 63% | 0.634 | 66% | 0.662 | S | S | * | * | | | trans | -85.9 | 99.7 | 157.6 | -159.9 | -85.6 | 0 | 0 | 0 | 106.3 | W27 E31 | W27-H29 PolarHBondContact O-N 3.28Å; H29-E31 PolarHBondContact O-N 3.36Å |
| 30 | T | 29.4 | Very low | 38.2 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 73% | 0.73 | 70% | 0.7 | S | S | * | * | | | trans | -67.5 | 83.8 | 171.2 | -44.6 | 0 | 0 | 0 | 0 | 107.5 | T28 Q32 | T28-T30 PolarHBondContact O-N 3.23Å; T30-Q32 PolarHBondContact O-N 3.4Å |
| 31 | E | 37.1 | Very low | 38.1 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | | | trans | -66 | 104.3 | 159.1 | -72.5 | -160.8 | 132.6 | 0 | 0 | 106.5 | H29 R33 | H29-E31 PolarHBondContact O-N 3.36Å; E31-R33 PolarHBondContact O-N 3.05Å |
| 32 | Q | 31.7 | Very low | 37.7 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | | | trans | -53.9 | 110.9 | 166.1 | -75.4 | -178.4 | 3.1 | 0 | 0 | 107.3 | T30 | T30-Q32 PolarHBondContact O-N 3.4Š|
| 33 | R | 39.7 | Very low | 37.7 | Very low | 230 Ų | 230 | 155.5 Ų | 155.5 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 126.5 | 161 | -83.6 | 179.5 | 172.6 | 154.6 | -2.8 | 106.9 | E31 | E31-R33 PolarHBondContact O-N 3.05Š|
| 34 | P | 38.1 | Very low | 37.8 | Very low | 109 Ų | 109 | 157.9 Ų | 157.9 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 143 | 165.3 | 25 | -30 | 0 | 0 | 0 | 108.2 | C36 | P34-C36 PolarHBondContact O-N 3.38Š|
| 35 | P | 32.8 | Very low | 37.9 | Very low | 120 Ų | 120 | 157 Ų | 157 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 130.9 | -176.2 | 24.3 | -31.5 | 0 | 0 | 0 | 109.7 | E37 | P35-E37 PolarHBondContact O-N 3.5Å; P35-E37 VanDerWaalsContact O-N 3.15Å |
| 36 | C | 37.7 | Very low | 37.8 | Very low | 127 Ų | 127 | 153.4 Ų | 153.4 | 86% | 0.858 | 79% | 0.794 | S | S | * | * | | | trans | -65.5 | 109.5 | 170.4 | -61.1 | 0 | 0 | 0 | 0 | 108.2 | P34 | P34-C36 PolarHBondContact O-N 3.38Š|
| 37 | E | 37.6 | Very low | 37.9 | Very low | 190 Ų | 190 | 151.7 Ų | 151.7 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -75.4 | 121.9 | 163.6 | -73.6 | -164.1 | 137.4 | 0 | 0 | 109 | P35 G39 | P35-E37 PolarHBondContact O-N 3.5Å; P35-E37 VanDerWaalsContact O-N 3.15Å; E37-G39 PolarHBondContact O-N 3.03Å |
| 38 | D | 53 | Low | 38.4 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 96% | 0.963 | 80% | 0.796 | S | S | * | * | | | trans | -63.5 | 114.5 | 168.5 | -100.8 | -35.8 | 0 | 0 | 0 | 109.4 | | |
| 39 | G | 36.5 | Very low | 39.1 | Very low | 75 Ų | 75 | 152.1 Ų | 152.1 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -159.8 | 85.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E37 | E37-G39 PolarHBondContact O-N 3.03Š|
| 40 | G | 31.8 | Very low | 39.4 | Very low | 80 Ų | 80 | 154 Ų | 154 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | 95.7 | 119.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 41 | R | 42.7 | Very low | 39.6 | Very low | 249 Ų | 249 | 157.6 Ų | 157.6 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | | | trans | -42.5 | 142.7 | 158.6 | -71.2 | 168.9 | 173.5 | 172.7 | -1.7 | 112.9 | | |
| 42 | D | 38.6 | Very low | 39.3 | Very low | 143 Ų | 143 | 156 Ų | 156 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | | | | -179 | 163.1 | 93.2 | -149.7 | -9.7 | 0 | 0 | 0 | 111.7 | | |
| 43 | R | 51.9 | Low | 39.4 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | | | trans | -73.3 | 159.9 | -169.6 | -59.5 | 161.5 | 154.9 | 156.9 | -7.8 | 114.3 | | |
| 44 | R | 47.4 | Very low | 39.1 | Very low | 211 Ų | 211 | 147.6 Ų | 147.6 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | | | trans | 102.4 | 132 | 147.4 | -58.3 | 177 | -143.7 | -158.7 | 3.7 | 117.3 | | |
| 45 | D | 45.1 | Very low | 38.8 | Very low | 153 Ų | 153 | 150 Ų | 150 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | 56.8 | 94.4 | 154.2 | -79 | -42.8 | 0 | 0 | 0 | 119.4 | | |
| 46 | A | 37.1 | Very low | 38.9 | Very low | 89 Ų | 89 | 149.3 Ų | 149.3 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | | | trans | -153.3 | 57.9 | 136.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | T48 | A46-T48 PolarHBondContact O-N 2.82Š|
| 47 | A | 39.3 | Very low | 38.8 | Very low | 96 Ų | 96 | 152.2 Ų | 152.2 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | | | trans | -74.8 | 60.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R49 | A47-R49 PolarHBondContact O-N 3.26Å; A47-R49 VanDerWaalsContact O-N 3.08Å |
| 48 | T | 39.6 | Very low | 38.7 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | | | trans | -81.1 | 90.7 | 170.4 | -49.5 | 0 | 0 | 0 | 0 | 108.4 | A46 H50 | A46-T48 PolarHBondContact O-N 2.82Å; T48-H50 PolarHBondContact O-N 3.35Å |
| 49 | R | 45.8 | Very low | 38.1 | Very low | 227 Ų | 227 | 144.3 Ų | 144.3 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | trans | 4.9 | 104.8 | 144.7 | -65.4 | 174.5 | 167.4 | 175.8 | -3 | 114.6 | A47 | A47-R49 PolarHBondContact O-N 3.26Å; A47-R49 VanDerWaalsContact O-N 3.08Å |
| 50 | H | 35.1 | Very low | 38.5 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | | | trans | -118.7 | 101.1 | 139.8 | -88.5 | -86.5 | 0 | 0 | 0 | 108.2 | T48 C52 | T48-H50 PolarHBondContact O-N 3.35Å; H50-C52 PolarHBondContact O-N 3.41Å |
| 51 | K | 34 | Very low | 39.3 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | trans | -55.8 | 107.2 | 162.6 | -85.4 | 177.2 | 170.6 | 179.6 | 0 | 107.2 | L53 | K51-L53 VanDerWaalsContact C-N 3.27Å; K51-L53 PolarHBondContact O-N 3.15Å |
| 52 | C | 30.3 | Very low | 39.6 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | | | trans | -69.1 | 92.6 | 161.9 | -72.2 | 0 | 0 | 0 | 0 | 107.7 | H50 G54 | H50-C52 PolarHBondContact O-N 3.41Å; C52-G54 PolarHBondContact O-N 3.33Å; C52-G54 VanDerWaalsContact O-N 3.16Å |
| 53 | L | 34 | Very low | 40.3 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 85% | 0.848 | 73% | 0.728 | S | S | * | * | | | trans | -63.2 | 108.6 | 162.2 | -82.8 | 160.1 | 0 | 0 | 0 | 108 | K51 | K51-L53 VanDerWaalsContact C-N 3.27Å; K51-L53 PolarHBondContact O-N 3.15Å |
| 54 | G | 33.2 | Very low | 40.2 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | | | trans | 44.4 | 81 | 151 | 0 | 0 | 0 | 0 | 0 | 117.2 | C52 | C52-G54 PolarHBondContact O-N 3.33Å; C52-G54 VanDerWaalsContact O-N 3.16Å |
| 55 | L | 32.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 72% | 0.722 | S | S | * | * | | | trans | -95.4 | 120.7 | 148.3 | -109.4 | 131.4 | 0 | 0 | 0 | 106.7 | E57 | L55-E57 PolarHBondContact O-N 3.25Š|
| 56 | P | 34.1 | Very low | 40.5 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | | | trans | -62.3 | 118.4 | 172.4 | 24.4 | -29.4 | 0 | 0 | 0 | 107.7 | T58 | P56-T58 PolarHBondContact O-N 3.3Š|
| 57 | E | 36.2 | Very low | 41.4 | Very low | 187 Ų | 187 | 127.1 Ų | 127.1 | 87% | 0.874 | 67% | 0.673 | S | S | * | * | | | trans | -64.9 | 75.7 | 171.3 | -70.5 | -179.4 | 129 | 0 | 0 | 109.4 | L55 | L55-E57 PolarHBondContact O-N 3.25Š|
| 58 | T | 35 | Very low | 42 | Very low | 87 Ų | 87 | 129.9 Ų | 129.9 | 53% | 0.534 | 67% | 0.67 | S | S | . | * | | | trans | -102.8 | 73.2 | 160 | 0 | 0 | 0 | 0 | 0 | 107.7 | P56 R60 | P56-T58 PolarHBondContact O-N 3.3Å; T58-R60 HydrophobicContact CG2-CG 4.42Å; T58-R60 PolarHBondContact O-N 3.36Å |
| 59 | T | 40.2 | Very low | 42.5 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 67% | 0.667 | S | S | * | * | | | trans | -70.2 | 66.3 | 163.7 | -40.3 | 0 | 0 | 0 | 0 | 107.9 | S61 | T59-S61 VanDerWaalsContact C-N 3.29Å; T59-S61 PolarHBondContact O-N 3.23Å |
| 60 | R | 45 | Very low | 42.7 | Very low | 171 Ų | 171 | 121.9 Ų | 121.9 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | | | trans | -67.6 | 99.9 | 162.2 | -75.7 | -173.6 | 176 | 172.4 | 1.8 | 105.7 | T58 R100 | T58-R60 HydrophobicContact CG2-CG 4.42Å; T58-R60 PolarHBondContact O-N 3.36Å; R60-R100 PolarHBondContact O-NH1 2.98Å |
| 61 | S | 47.7 | Very low | 43.4 | Very low | 98 Ų | 98 | 115.2 Ų | 115.2 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 147.7 | 168.2 | 41.5 | 0 | 0 | 0 | 0 | 109 | T59 | T59-S61 VanDerWaalsContact C-N 3.29Å; T59-S61 PolarHBondContact O-N 3.23Å |
| 62 | L | 50.3 | Low | 44.2 | Very low | 33 Ų | 33 | 109.6 Ų | 109.6 | 17% | 0.173 | 60% | 0.598 | C | S | . | * | P | Polyproline II helix | trans | -57.6 | 147 | 170.8 | -79.4 | 171.3 | 0 | 0 | 0 | 109.4 | Q64 I77 V79 I102 | L62-Q64 PolarHBondContact O-N 2.96Å; L62-I77 HydrophobicContact CD1-CD1 3.42Å; L62-I77 VanDerWaalsContact CD1-CD1 3.42Å; L62-I77 HydrophobicContact CD2-CG2 4.01Å; L62-V79 HydrophobicContact CD2-CG2 4.26Å; L62-I102 HydrophobicContact CD1-CD1 3.16Å; L62-I102 HydrophobicContact CG-CD1 4.07Å |
| 63 | P | 53.6 | Low | 45.1 | Very low | 81 Ų | 81 | 105.1 Ų | 105.1 | 53% | 0.526 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -50 | 128.2 | 169 | -24.7 | 33.1 | 0 | 0 | 0 | 109.8 | R65 L66 Q67 | P63-R65 PolarHBondContact O-N 3.2Å; P63-L66 HydrophobicContact CB-CD1 4.48Å; P63-L66 HydrophobicContact CG-CD1 4.21Å; P63-L66 PolarHBondContact O-N 3.45Å; P63-Q67 PolarHBondContact O-N 3.2Å |
| 64 | Q | 48.8 | Very low | 45.8 | Very low | 144 Ų | 144 | 102 Ų | 102 | 67% | 0.673 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -54.8 | -29.7 | -171.2 | -161.7 | 171.7 | 8 | 0 | 0 | 113 | L62 Q67 Q68 | L62-Q64 PolarHBondContact O-N 2.96Å; Q64-Q67 PolarHBondContact O-N 3.01Å; Q64-Q68 WeakPolarHBondContact O-CG 3.37Å; Q64-Q68 PolarHBondContact O-N 2.85Å |
| 65 | R | 47.6 | Very low | 46.4 | Very low | 202 Ų | 202 | 99.1 Ų | 99.1 | 76% | 0.762 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.3 | -45.7 | 173.1 | -71.5 | -172.9 | 179.3 | -178.8 | -0.4 | 113.2 | P63 Q67 Q68 E69 | P63-R65 PolarHBondContact O-N 3.2Å; R65-Q67 VanDerWaalsContact C-N 3.29Å; R65-Q67 PolarHBondContact O-N 3.05Å; R65-Q68 PolarHBondContact O-N 3.47Å; R65-E69 PolarHBondContact O-N 2.99Å |
| 66 | L | 52.2 | Low | 47.4 | Very low | 20 Ų | 20 | 93 Ų | 93 | 11% | 0.105 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -68.6 | -32.2 | 178.5 | -71 | 173.7 | 0 | 0 | 0 | 111.7 | P63 H70 | P63-L66 HydrophobicContact CB-CD1 4.48Å; P63-L66 HydrophobicContact CG-CD1 4.21Å; P63-L66 PolarHBondContact O-N 3.45Å; L66-H70 WeakPolarHBondContact O-CB 3.32Å; L66-H70 PolarHBondContact O-N 3.35Å |
| 67 | Q | 54.7 | Low | 48.4 | Very low | 90 Ų | 90 | 88.2 Ų | 88.2 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 172.7 | -169.3 | 177.7 | 10 | 0 | 0 | 111.8 | P63 Q64 R65 G71 | P63-Q67 PolarHBondContact O-N 3.2Å; Q64-Q67 PolarHBondContact O-N 3.01Å; R65-Q67 VanDerWaalsContact C-N 3.29Å; R65-Q67 PolarHBondContact O-N 3.05Å; Q67-G71 WeakPolarHBondContact O-CA 3.44Å; Q67-G71 PolarHBondContact O-N 3.44Å |
| 68 | Q | 52.2 | Low | 49.3 | Very low | 153 Ų | 153 | 81.3 Ų | 81.3 | 72% | 0.715 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70.9 | -41.4 | 176.2 | -76.4 | 178.2 | -7.7 | 0 | 0 | 112.7 | Q64 R65 | Q64-Q68 WeakPolarHBondContact O-CG 3.37Å; Q64-Q68 PolarHBondContact O-N 2.85Å; R65-Q68 PolarHBondContact O-N 3.47Å |
| 69 | E | 49.9 | Very low | 50.1 | Low | 141 Ų | 141 | 79.4 Ų | 79.4 | 66% | 0.659 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -76.6 | -30.4 | -177.7 | -71.8 | -179.7 | 173.9 | 0 | 0 | 113.4 | R65 | R65-E69 PolarHBondContact O-N 2.99Å |
| 70 | H | 50.7 | Low | 50.5 | Low | 35 Ų | 35 | 76.3 Ų | 76.3 | 16% | 0.162 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -133 | 12.2 | -170.3 | -58.3 | -69.3 | 0 | 0 | 0 | 114.5 | I21 L66 S72 T75 | I21-H70 VanDerWaalsContact CD1-CD2 3.42Å; I21-H70 WeakPolarHBondContact CD1-CD2 3.4Å; I21-H70 WeakPolarHBondContact CD1-NE2 3.31Å; L66-H70 WeakPolarHBondContact O-CB 3.32Å; L66-H70 PolarHBondContact O-N 3.35Å; H70-S72 PolarHBondContact O-N 2.96Å; H70-T75 HydrophobicContact CB-CG2 3.77Å; H70-T75 WeakPolarHBondContact O-CB 3.12Å; H70-T75 PolarHBondContact O-OG1 3.36Å |
| 71 | G | 48.8 | Very low | 50.5 | Low | 38 Ų | 38 | 74.5 Ų | 74.5 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | | | trans | -67.4 | 18.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q67 | Q67-G71 WeakPolarHBondContact O-CA 3.44Å; Q67-G71 PolarHBondContact O-N 3.44Å |
| 72 | S | 51 | Low | 50.2 | Low | 74 Ų | 74 | 73 Ų | 73 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -68.5 | 143.6 | 168.7 | 78.6 | 0 | 0 | 0 | 0 | 109.6 | H70 N74 T75 | H70-S72 PolarHBondContact O-N 2.96Å; S72-N74 PolarHBondContact O-N 3.15Å; S72-T75 PolarHBondContact O-N 3.45Å; S72-T75 VanDerWaalsContact O-N 3.12Å; S72-T75 PolarHBondContact O-OG1 2.84Å; S72-T75 PolarHBondContact OG-OG1 3.08Å; S72-T75 VanDerWaalsContact OG-OG1 3.08Å |
| 73 | A | 49 | Very low | 49.9 | Very low | 36 Ų | 36 | 76 Ų | 76 | 30% | 0.298 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -4.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H104 | A73-H104 HydrophobicContact CB-CB 4.1Å; A73-H104 WeakPolarHBondContact CB-O 3.45Å |
| 74 | N | 48.8 | Very low | 49.5 | Very low | 98 Ų | 98 | 79.5 Ų | 79.5 | 52% | 0.524 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 11.2 | -176.6 | -68.4 | -29.6 | 0 | 0 | 0 | 113.6 | S72 | S72-N74 PolarHBondContact O-N 3.15Š|
| 75 | T | 47.3 | Very low | 49.2 | Very low | 10 Ų | 10 | 84.7 Ų | 84.7 | 6% | 0.061 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.9 | 178 | -55.9 | 0 | 0 | 0 | 0 | 111 | I21 H70 S72 I77 | I21-T75 HydrophobicContact CG2-CG2 3.82Å; H70-T75 HydrophobicContact CB-CG2 3.77Å; H70-T75 WeakPolarHBondContact O-CB 3.12Å; H70-T75 PolarHBondContact O-OG1 3.36Å; S72-T75 PolarHBondContact O-N 3.45Å; S72-T75 VanDerWaalsContact O-N 3.12Å; S72-T75 PolarHBondContact O-OG1 2.84Å; S72-T75 PolarHBondContact OG-OG1 3.08Å; S72-T75 VanDerWaalsContact OG-OG1 3.08Å; T75-I77 HydrophobicContact CG2-CD1 4.11Å; T75-I77 HydrophobicContact CG2-CG1 3.64Å |
| 76 | L | 52.4 | Low | 49.1 | Very low | 29 Ų | 29 | 82.4 Ų | 82.4 | 15% | 0.152 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 121.2 | 165.1 | -66.6 | 172.4 | 0 | 0 | 0 | 109.2 | | |
| 77 | I | 56.1 | Low | 48.5 | Very low | 7 Ų | 7 | 87 Ų | 87 | 4% | 0.036 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 113.3 | 177.8 | -60.5 | 173.7 | 0 | 0 | 0 | 107.9 | V19 L62 T75 V79 | V19-I77 HydrophobicContact CG1-CG2 3.64Å; L62-I77 HydrophobicContact CD1-CD1 3.42Å; L62-I77 VanDerWaalsContact CD1-CD1 3.42Å; L62-I77 HydrophobicContact CD2-CG2 4.01Å; T75-I77 HydrophobicContact CG2-CD1 4.11Å; T75-I77 HydrophobicContact CG2-CG1 3.64Å; I77-V79 HydrophobicContact CG2-CG2 4.06Å |
| 78 | L | 54 | Low | 47.9 | Very low | 42 Ų | 42 | 92.7 Ų | 92.7 | 22% | 0.22 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 114.7 | 174.7 | -63.4 | 174.3 | 0 | 0 | 0 | 108.7 | V19 L20 F80 M99 | V19-L78 WeakPolarHBondContact CA-O 3.46Å; L20-L78 HydrophobicContact CB-CB 4.47Å; L20-L78 PolarHBondContact N-O 3.2Å; L20-L78 PolarHBondContact O-N 2.97Å; L78-F80 HydrophobicContact CB-CE2 3.89Å; L78-F80 HydrophobicContact CB-CZ 4.34Å; L78-M99 HydrophobicContact CD2-CB 4.41Å; L78-M99 HydrophobicContact CD2-CG 3.96Å |
| 79 | V | 52.5 | Low | 47.5 | Very low | 47 Ų | 47 | 91.4 Ų | 91.4 | 29% | 0.285 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.5 | 177 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | T17 L62 I77 Q81 | T17-V79 HydrophobicContact CG2-CG1 3.72Å; L62-V79 HydrophobicContact CD2-CG2 4.26Å; I77-V79 HydrophobicContact CG2-CG2 4.06Å; V79-Q81 HydrophobicContact CG1-CG 4.41Å |
| 80 | F | 48.3 | Very low | 46.9 | Very low | 54 Ų | 54 | 89.9 Ų | 89.9 | 24% | 0.237 | 47% | 0.473 | C | S | . | . | | | trans | -96.6 | 109.7 | 174.3 | -64.3 | -89.6 | 0 | 0 | 0 | 108.7 | T17 S18 L20 L78 V95 | T17-F80 WeakPolarHBondContact CA-O 3.04Å; T17-F80 WeakPolarHBondContact CG2-O 3.38Å; S18-F80 VanDerWaalsContact O-CD2 3.31Å; S18-F80 WeakPolarHBondContact O-CD2 3.42Å; S18-F80 PolarHBondContact O-N 2.68Å; L20-F80 HydrophobicContact CB-CE2 4.48Å; L20-F80 HydrophobicContact CD1-CE2 3.94Å; L20-F80 HydrophobicContact CD1-CZ 4.28Å; L20-F80 HydrophobicContact CG-CE2 4.38Å; L78-F80 HydrophobicContact CB-CE2 3.89Å; L78-F80 HydrophobicContact CB-CZ 4.34Å; F80-V95 HydrophobicContact CD1-CG1 4Å; F80-V95 HydrophobicContact CE1-CG1 4.22Å |
| 81 | Q | 44.6 | Very low | 46.7 | Very low | 132 Ų | 132 | 98.2 Ų | 98.2 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 137.6 | 170.4 | -69.7 | -173.6 | -39.1 | 0 | 0 | 109 | V79 | V79-Q81 HydrophobicContact CG1-CG 4.41Š|
| 82 | P | 42.4 | Very low | 46.1 | Very low | 66 Ų | 66 | 101 Ų | 101 | 43% | 0.429 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 144.2 | 166.1 | 26.4 | -31.9 | 0 | 0 | 0 | 108 | E84 | P82-E84 PolarHBondContact O-N 3.47Š|
| 83 | P | 44.2 | Very low | 45.6 | Very low | 97 Ų | 97 | 104.4 Ų | 104.4 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 116.6 | 173.1 | 23.5 | -31 | 0 | 0 | 0 | 107.3 | R85 | P83-R85 PolarHBondContact O-N 3.12Š|
| 84 | E | 44.7 | Very low | 44.8 | Very low | 154 Ų | 154 | 105.2 Ų | 105.2 | 72% | 0.72 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 133.3 | 166.5 | -75 | -171.3 | 158.2 | 0 | 0 | 106.5 | P82 F86 | P82-E84 PolarHBondContact O-N 3.47Å; E84-F86 VanDerWaalsContact C-N 3.26Å; E84-F86 WeakPolarHBondContact O-CD2 3.46Å; E84-F86 PolarHBondContact O-N 2.87Å |
| 85 | R | 42.1 | Very low | 44.3 | Very low | 254 Ų | 254 | 105.9 Ų | 105.9 | 96% | 0.958 | 56% | 0.56 | S | S | * | * | | | trans | -50.6 | 87.6 | -171.2 | -72.9 | 178.3 | 176.2 | 172.3 | -1.4 | 111.3 | P83 | P83-R85 PolarHBondContact O-N 3.12Š|
| 86 | F | 44.6 | Very low | 43.9 | Very low | 153 Ų | 153 | 116.4 Ų | 116.4 | 67% | 0.671 | 60% | 0.598 | S | S | * | * | | | trans | -71.7 | 130.8 | 163.8 | -74.6 | -79.9 | 0 | 0 | 0 | 106 | E84 K88 | E84-F86 VanDerWaalsContact C-N 3.26Å; E84-F86 WeakPolarHBondContact O-CD2 3.46Å; E84-F86 PolarHBondContact O-N 2.87Å; F86-K88 PolarHBondContact O-N 2.83Å |
| 87 | P | 40.2 | Very low | 43.1 | Very low | 116 Ų | 116 | 118.9 Ų | 118.9 | 75% | 0.753 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -60.1 | 108.4 | 177.4 | 23.1 | -30.3 | 0 | 0 | 0 | 108.8 | I89 | P87-I89 PolarHBondContact O-N 3.44Š|
| 88 | K | 42.9 | Very low | 42.3 | Very low | 210 Ų | 210 | 124.9 Ų | 124.9 | 91% | 0.913 | 64% | 0.643 | S | S | * | * | | | trans | 31.3 | 72.1 | 163.6 | -66.3 | 178.5 | 178 | 177 | 0 | 114.8 | F86 | F86-K88 PolarHBondContact O-N 2.83Š|
| 89 | I | 43.2 | Very low | 41.3 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 65% | 0.646 | 66% | 0.66 | S | S | * | * | | | trans | -95.1 | 126.5 | 156.6 | -56.4 | 176 | 0 | 0 | 0 | 106 | P87 F91 | P87-I89 PolarHBondContact O-N 3.44Å; I89-F91 PolarHBondContact O-N 3.4Å |
| 90 | P | 37.9 | Very low | 40.8 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 71% | 0.714 | 66% | 0.664 | S | S | * | * | | | trans | -57.9 | 125.6 | -177.7 | 23 | -31.6 | 0 | 0 | 0 | 109.2 | S92 | P90-S92 PolarHBondContact O-N 3.25Š|
| 91 | F | 45.6 | Very low | 40.3 | Very low | 210 Ų | 210 | 133.7 Ų | 133.7 | 92% | 0.921 | 68% | 0.678 | S | S | * | * | | | trans | -53 | 104.1 | -178.7 | -75.5 | -94.7 | 0 | 0 | 0 | 110.6 | I89 | I89-F91 PolarHBondContact O-N 3.4Š|
| 92 | S | 36.3 | Very low | 40.2 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 66% | 0.66 | S | S | * | * | | | trans | -140.3 | 121.5 | 150.3 | 66.9 | 0 | 0 | 0 | 0 | 107.4 | P90 | P90-S92 PolarHBondContact O-N 3.25Š|
| 93 | T | 39.6 | Very low | 39.7 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 90% | 0.896 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 54 | 88 | 159.8 | 47.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 94 | G | 33.4 | Very low | 39.3 | Very low | 52 Ų | 52 | 134.9 Ų | 134.9 | 54% | 0.536 | 67% | 0.667 | S | S | . | * | | | trans | -170.9 | 53.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W96 | G94-W96 PolarHBondContact O-N 2.88Š|
| 95 | V | 38.7 | Very low | 38.5 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | | | trans | -73.3 | 103.9 | 160.9 | -179.5 | 0 | 0 | 0 | 0 | 106.4 | F80 C97 | F80-V95 HydrophobicContact CD1-CG1 4Å; F80-V95 HydrophobicContact CE1-CG1 4.22Å; V95-C97 PolarHBondContact O-N 3.01Å; V95-C97 VanDerWaalsContact O-N 3.07Å |
| 96 | W | 38.1 | Very low | 38.1 | Very low | 231 Ų | 231 | 134.2 Ų | 134.2 | 88% | 0.875 | 68% | 0.68 | S | S | * | * | | | trans | -76.2 | 95.1 | 175.1 | -68.6 | 79.3 | 0 | 0 | 0 | 108.6 | G94 K98 | G94-W96 PolarHBondContact O-N 2.88Å; W96-K98 PolarHBondContact O-N 3Å |
| 97 | C | 36.2 | Very low | 37.7 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 55% | 0.547 | 68% | 0.68 | S | S | . | * | | | trans | -75.5 | 101.8 | 172.6 | -66.5 | 0 | 0 | 0 | 0 | 109.1 | V95 M99 | V95-C97 PolarHBondContact O-N 3.01Å; V95-C97 VanDerWaalsContact O-N 3.07Å; C97-M99 PolarHBondContact O-N 3.19Å; C97-M99 VanDerWaalsContact O-N 3.16Å |
| 98 | K | 38.2 | Very low | 37.6 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 58% | 0.578 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 93.1 | 168.2 | -164.9 | 170.1 | -174.2 | 169.4 | 0 | 108.8 | W96 R100 | W96-K98 PolarHBondContact O-N 3Å; K98-R100 PolarHBondContact O-N 2.97Å |
| 99 | M | 34.2 | Very low | 37.3 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 57% | 0.571 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.6 | 113.8 | 173.8 | -161.2 | 165.8 | -158.6 | 0 | 0 | 108.8 | L78 C97 | L78-M99 HydrophobicContact CD2-CB 4.41Å; L78-M99 HydrophobicContact CD2-CG 3.96Å; C97-M99 PolarHBondContact O-N 3.19Å; C97-M99 VanDerWaalsContact O-N 3.16Å |
| 100 | R | 40.9 | Very low | 37 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 37% | 0.374 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.2 | 109.7 | 172.1 | -80.8 | -174.9 | 154.5 | 177 | -4 | 108.6 | R60 K98 | R60-R100 PolarHBondContact O-NH1 2.98Å; K98-R100 PolarHBondContact O-N 2.97Å |
| 101 | H | 37.6 | Very low | 36.9 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 52% | 0.523 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.1 | 120 | 161.4 | -84.2 | -114.4 | 0 | 0 | 0 | 107.6 | | |
| 102 | I | 42.8 | Very low | 36.3 | Very low | 50 Ų | 50 | 126.2 Ų | 126.2 | 26% | 0.256 | 64% | 0.644 | S | S | . | * | | | trans | -101.5 | 100.3 | 173 | -58.8 | 179.6 | 0 | 0 | 0 | 106.4 | L62 | L62-I102 HydrophobicContact CD1-CD1 3.16Å; L62-I102 HydrophobicContact CG-CD1 4.07Å |
| 103 | F | 32.6 | Very low | 36.3 | Very low | 182 Ų | 182 | 128.4 Ų | 128.4 | 80% | 0.798 | 64% | 0.642 | S | S | * | * | | | trans | -82.7 | 110.8 | 166.5 | -101.9 | -91.4 | 0 | 0 | 0 | 107.9 | | |
| 104 | H | 34.7 | Very low | 36.1 | Very low | 87 Ų | 87 | 127 Ų | 127 | 40% | 0.403 | 62% | 0.622 | S | S | . | * | | | trans | -91.2 | 94.1 | 158.2 | -79.8 | -75.4 | 0 | 0 | 0 | 106.9 | A73 | A73-H104 HydrophobicContact CB-CB 4.1Å; A73-H104 WeakPolarHBondContact CB-O 3.45Å |
| 105 | G | 27.9 | Very low | 36.3 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | | | trans | -66 | 136.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 106 | W | 33.3 | Very low | 36.1 | Very low | 325 Ų | 325 | 135.1 Ų | 135.1 | 100% | 1.231 | 62% | 0.624 | S | S | * | * | | | trans | -71.1 | 0 | 168.8 | -77.4 | 50.1 | 0 | 0 | 0 | 110.5 | | |