| 1 | M | 33.5 | Very low | 40.8 | Very low | 242 Ų | 242 | 161.9 Ų | 161.9 | 100% | 1.192 | 82% | 0.823 | S | S | * | * | | | | 0 | 95.8 | 0 | -170.4 | 172.1 | -174.2 | 0 | 0 | 108.2 | | |
| 2 | L | 39.7 | Very low | 40.6 | Very low | 169 Ų | 169 | 159.2 Ų | 159.2 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | | | trans | -179.4 | 83.3 | 167.9 | -102.1 | 147.3 | 0 | 0 | 0 | 106 | K4 | L2-K4 PolarHBondContact O-N 3.38Š|
| 3 | M | 39.3 | Very low | 40.9 | Very low | 192 Ų | 192 | 155 Ų | 155 | 95% | 0.946 | 79% | 0.792 | S | S | * | * | | | trans | -77.8 | 109.4 | 171.7 | -81 | -179.5 | 151 | 0 | 0 | 107.4 | S5 | M3-S5 PolarHBondContact O-N 3.14Å; M3-S5 VanDerWaalsContact O-N 3.14Å |
| 4 | K | 39.5 | Very low | 41.2 | Very low | 203 Ų | 203 | 152.6 Ų | 152.6 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | -71 | 102 | 171.8 | -71.9 | 177.2 | 175.2 | -179.3 | 0 | 107.8 | L2 Q6 | L2-K4 PolarHBondContact O-N 3.38Å; K4-Q6 PolarHBondContact O-N 3.17Å |
| 5 | S | 40.6 | Very low | 41 | Very low | 102 Ų | 102 | 152.6 Ų | 152.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | trans | -73.6 | 108.7 | 173 | 60.9 | 0 | 0 | 0 | 0 | 109.1 | M3 V7 | M3-S5 PolarHBondContact O-N 3.14Å; M3-S5 VanDerWaalsContact O-N 3.14Å; S5-V7 PolarHBondContact O-N 3.27Å |
| 6 | Q | 39.6 | Very low | 40.7 | Very low | 185 Ų | 185 | 156.2 Ų | 156.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -73.4 | 101.1 | 171.2 | -171.3 | 160.9 | 16.3 | 0 | 0 | 107.7 | K4 D8 | K4-Q6 PolarHBondContact O-N 3.17Å; Q6-D8 PolarHBondContact O-N 3.03Å |
| 7 | V | 40.8 | Very low | 40.7 | Very low | 117 Ų | 117 | 156.3 Ų | 156.3 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | | | trans | -75.3 | 115.2 | 175.1 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | S5 L9 | S5-V7 PolarHBondContact O-N 3.27Å; V7-L9 PolarHBondContact O-N 3.38Å |
| 8 | D | 42.4 | Very low | 40.7 | Very low | 125 Ų | 125 | 157.2 Ų | 157.2 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | | | trans | -58.2 | 102.9 | 177.9 | -91.8 | -50.8 | 0 | 0 | 0 | 111.2 | Q6 K10 | Q6-D8 PolarHBondContact O-N 3.03Å; D8-K10 PolarHBondContact O-N 3.4Å |
| 9 | L | 43 | Very low | 40.6 | Very low | 147 Ų | 147 | 158.3 Ų | 158.3 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -65 | -1 | 173.3 | -82.1 | 154.7 | 0 | 0 | 0 | 113.8 | V7 N11 | V7-L9 PolarHBondContact O-N 3.38Å; L9-N11 VanDerWaalsContact C-N 3.31Å; L9-N11 PolarHBondContact O-N 3.05Å |
| 10 | K | 48 | Very low | 40.7 | Very low | 173 Ų | 173 | 159.1 Ų | 159.1 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -75.6 | -15 | -175.5 | -68.4 | -174.3 | 179.3 | 179.7 | 0 | 114.4 | D8 | D8-K10 PolarHBondContact O-N 3.4Š|
| 11 | N | 42.5 | Very low | 40.5 | Very low | 126 Ų | 126 | 158.8 Ų | 158.8 | 67% | 0.674 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -89.6 | -6.2 | -178.8 | -149 | -34.6 | 0 | 0 | 0 | 113.4 | L9 | L9-N11 VanDerWaalsContact C-N 3.31Å; L9-N11 PolarHBondContact O-N 3.05Å |
| 12 | L | 38.6 | Very low | 41.2 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -84.4 | -26 | -178.2 | -153.5 | 73.1 | 0 | 0 | 0 | 113.1 | | |
| 13 | D | 44.9 | Very low | 41.4 | Very low | 105 Ų | 105 | 150.8 Ų | 150.8 | 56% | 0.561 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -78.4 | -25.7 | -179.3 | -81.4 | -44.6 | 0 | 0 | 0 | 113.4 | Q15 R16 | D13-Q15 VanDerWaalsContact C-N 3.33Å; D13-Q15 PolarHBondContact O-N 3.4Å; D13-R16 PolarHBondContact O-N 3.44Å |
| 14 | D | 44.9 | Very low | 41.5 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -73.9 | -22.5 | 178.9 | -77 | -30.9 | 0 | 0 | 0 | 113.1 | | |
| 15 | Q | 37.2 | Very low | 41.7 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -80.2 | -18.9 | 175.4 | -92.1 | -143 | 24 | 0 | 0 | 114.1 | D13 Q17 | D13-Q15 VanDerWaalsContact C-N 3.33Å; D13-Q15 PolarHBondContact O-N 3.4Å; Q15-Q17 VanDerWaalsContact C-N 3.3Å; Q15-Q17 PolarHBondContact O-N 3.34Å |
| 16 | R | 37.5 | Very low | 41.9 | Very low | 210 Ų | 210 | 144.5 Ų | 144.5 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -83.2 | -5.6 | 179.5 | -78.2 | -172.4 | 56.9 | -141.1 | -8 | 114.1 | D13 | D13-R16 PolarHBondContact O-N 3.44Š|
| 17 | Q | 40.6 | Very low | 42.1 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -99.4 | 16.2 | 177.6 | -63.3 | -160.8 | 26.2 | 0 | 0 | 114.4 | Q15 K19 | Q15-Q17 VanDerWaalsContact C-N 3.3Å; Q15-Q17 PolarHBondContact O-N 3.34Å; Q17-K19 PolarHBondContact O-N 3.17Å |
| 18 | Q | 40.8 | Very low | 42.5 | Very low | 173 Ų | 173 | 145.8 Ų | 145.8 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -72.3 | 71 | 162.9 | -66.6 | -154.2 | -2.5 | 0 | 0 | 110.8 | L20 | Q18-L20 PolarHBondContact O-N 2.9Š|
| 19 | K | 37.5 | Very low | 42.5 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | | | trans | 33.2 | 85.6 | 130.2 | -154.9 | 168.6 | -175.5 | -178 | 0 | 113.5 | Q17 Q21 | Q17-K19 PolarHBondContact O-N 3.17Å; K19-Q21 VanDerWaalsContact C-N 3.32Å; K19-Q21 PolarHBondContact O-N 3.19Å |
| 20 | L | 42.3 | Very low | 42.8 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 91% | 0.906 | 73% | 0.729 | S | S | * | * | | | trans | -43.4 | 100.9 | 152.2 | -69.2 | 161 | 0 | 0 | 0 | 107.5 | Q18 P22 | Q18-L20 PolarHBondContact O-N 2.9Å; L20-P22 WeakPolarHBondContact O-CD 3.48Å |
| 21 | Q | 37.3 | Very low | 42.4 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | | | trans | -69.8 | 124.1 | 166.7 | -73.3 | -143.7 | -25.2 | 0 | 0 | 106.7 | K19 T23 | K19-Q21 VanDerWaalsContact C-N 3.32Å; K19-Q21 PolarHBondContact O-N 3.19Å; Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 3.47Å |
| 22 | P | 47.5 | Very low | 42.5 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | | | trans | -69 | 97.1 | 164.2 | 9.2 | 4.6 | 0 | 0 | 0 | 105.6 | L20 D24 | L20-P22 WeakPolarHBondContact O-CD 3.48Å; P22-D24 PolarHBondContact O-N 3.05Å; P22-D24 VanDerWaalsContact O-N 3.07Å |
| 23 | T | 44.2 | Very low | 42.8 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | trans | -69.2 | 106.7 | 167.2 | 42.2 | 0 | 0 | 0 | 0 | 106.8 | Q21 S25 | Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 3.47Å; T23-S25 PolarHBondContact O-N 2.84Å |
| 24 | D | 42.2 | Very low | 42.9 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | trans | -40.9 | 125.2 | 172.7 | -80.7 | -43.5 | 0 | 0 | 0 | 110.7 | P22 T26 | P22-D24 PolarHBondContact O-N 3.05Å; P22-D24 VanDerWaalsContact O-N 3.07Å; D24-T26 PolarHBondContact O-N 3.34Å |
| 25 | S | 43.5 | Very low | 42.8 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | | | trans | -48 | 104.1 | 163.7 | 39.9 | 0 | 0 | 0 | 0 | 108.7 | T23 D27 | T23-S25 PolarHBondContact O-N 2.84Å; S25-D27 PolarHBondContact O-N 2.73Å |
| 26 | T | 44.2 | Very low | 42.9 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | | | trans | -64.8 | 106.6 | 171.6 | -54.5 | 0 | 0 | 0 | 0 | 107 | D24 F28 | D24-T26 PolarHBondContact O-N 3.34Å; T26-F28 VanDerWaalsContact C-N 3.27Å; T26-F28 HydrophobicContact CG2-CD2 4.03Å; T26-F28 HydrophobicContact CG2-CE2 3.86Å; T26-F28 HydrophobicContact CG2-CZ 4.45Å; T26-F28 PolarHBondContact O-N 3.13Å |
| 27 | D | 45.2 | Very low | 43 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | | | trans | -66.4 | 87.6 | 174.7 | -146.9 | -4.5 | 0 | 0 | 0 | 107.5 | S25 S29 | S25-D27 PolarHBondContact O-N 2.73Å; D27-S29 PolarHBondContact O-N 2.71Å |
| 28 | F | 47.2 | Very low | 42.7 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | | | trans | -72.3 | 76 | 169.3 | -84.3 | -87.3 | 0 | 0 | 0 | 107.5 | T26 P30 | T26-F28 VanDerWaalsContact C-N 3.27Å; T26-F28 HydrophobicContact CG2-CD2 4.03Å; T26-F28 HydrophobicContact CG2-CE2 3.86Å; T26-F28 HydrophobicContact CG2-CZ 4.45Å; T26-F28 PolarHBondContact O-N 3.13Å; F28-P30 WeakPolarHBondContact O-CD 3.43Å |
| 29 | S | 43.6 | Very low | 42.7 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 58% | 0.58 | 75% | 0.753 | S | S | * | * | | | trans | -77.8 | 107.9 | 160 | -80.8 | 0 | 0 | 0 | 0 | 107.3 | D27 T31 | D27-S29 PolarHBondContact O-N 2.71Å; S29-T31 PolarHBondContact O-N 3.34Å |
| 30 | P | 49.4 | Very low | 42.8 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | -68.9 | 99.1 | 173.6 | 28.6 | -32.8 | 0 | 0 | 0 | 108.3 | F28 F32 | F28-P30 WeakPolarHBondContact O-CD 3.43Å; P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 HydrophobicContact CB-CD2 4.11Å; P30-F32 HydrophobicContact CB-CE2 3.72Å; P30-F32 HydrophobicContact CB-CZ 4.41Å; P30-F32 HydrophobicContact CG-CD2 4.43Å; P30-F32 HydrophobicContact CG-CE2 3.97Å; P30-F32 PolarHBondContact O-N 2.74Å |
| 31 | T | 39.5 | Very low | 42.6 | Very low | 134 Ų | 134 | 130 Ų | 130 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | | | trans | -69.7 | 90 | 168.4 | -54 | 0 | 0 | 0 | 0 | 107.9 | S29 | S29-T31 PolarHBondContact O-N 3.34Š|
| 32 | F | 45.1 | Very low | 42.8 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 75% | 0.746 | 76% | 0.756 | S | S | * | * | | | trans | -71.2 | 131.1 | 165.9 | -72.7 | -82.8 | 0 | 0 | 0 | 108.5 | P30 A34 | P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 HydrophobicContact CB-CD2 4.11Å; P30-F32 HydrophobicContact CB-CE2 3.72Å; P30-F32 HydrophobicContact CB-CZ 4.41Å; P30-F32 HydrophobicContact CG-CD2 4.43Å; P30-F32 HydrophobicContact CG-CE2 3.97Å; P30-F32 PolarHBondContact O-N 2.74Å; F32-A34 PolarHBondContact O-N 2.98Å |
| 33 | P | 44.9 | Very low | 42.6 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | | | trans | -62.3 | 120.9 | 167.6 | 25.1 | -30 | 0 | 0 | 0 | 108 | T35 | P33-T35 PolarHBondContact O-N 2.95Š|
| 34 | A | 46 | Very low | 42.5 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 87% | 0.868 | 75% | 0.752 | S | S | * | * | | | trans | -68.6 | 78.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | F32 S36 | F32-A34 PolarHBondContact O-N 2.98Å; A34-S36 PolarHBondContact O-N 2.88Å; A34-S36 VanDerWaalsContact O-N 3.12Å |
| 35 | T | 42.9 | Very low | 42.4 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 64% | 0.638 | 75% | 0.752 | S | S | * | * | | | trans | -74.6 | 102.3 | 166.9 | 51.8 | 0 | 0 | 0 | 0 | 107.2 | P33 N37 | P33-T35 PolarHBondContact O-N 2.95Å; T35-N37 PolarHBondContact O-N 2.83Å |
| 36 | S | 38.8 | Very low | 42.3 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | -61.9 | 78.3 | 167.3 | 175 | 0 | 0 | 0 | 0 | 109.6 | A34 E38 | A34-S36 PolarHBondContact O-N 2.88Å; A34-S36 VanDerWaalsContact O-N 3.12Å; S36-E38 VanDerWaalsContact C-N 3.28Å; S36-E38 PolarHBondContact O-N 2.82Å |
| 37 | N | 39.5 | Very low | 41.8 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -89.5 | 80.3 | 165.5 | -73.1 | -2.1 | 0 | 0 | 0 | 107.2 | T35 L39 | T35-N37 PolarHBondContact O-N 2.83Å; N37-L39 PolarHBondContact O-N 2.87Å |
| 38 | E | 35.6 | Very low | 41.7 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | -68.6 | 72.5 | 162.2 | -169.1 | 179.5 | -161 | 0 | 0 | 107.6 | S36 | S36-E38 VanDerWaalsContact C-N 3.28Å; S36-E38 PolarHBondContact O-N 2.82Å |
| 39 | L | 41.1 | Very low | 41.3 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | trans | -148.1 | 92 | 178.7 | -107.8 | 160.8 | 0 | 0 | 0 | 108.9 | N37 | N37-L39 PolarHBondContact O-N 2.87Š|
| 40 | G | 38.3 | Very low | 41.3 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | trans | 56.9 | 98.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K42 | G40-K42 PolarHBondContact O-N 3.16Š|
| 41 | E | 39.1 | Very low | 40.9 | Very low | 199 Ų | 199 | 139 Ų | 139 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | | | trans | -52.2 | 82.1 | 151.7 | -175.1 | -176.6 | 176.9 | 0 | 0 | 108.9 | A43 | E41-A43 PolarHBondContact O-N 3.26Š|
| 42 | K | 41.8 | Very low | 40.9 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | trans | -73.8 | 106.9 | 160.7 | -76.6 | -162.5 | 173.6 | -170 | 0 | 104.5 | G40 A44 | G40-K42 PolarHBondContact O-N 3.16Å; K42-A44 PolarHBondContact O-N 2.64Å; K42-A44 VanDerWaalsContact O-N 3.15Å |
| 43 | A | 41.8 | Very low | 40.7 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | | | trans | -37.3 | 122.6 | 172 | 0 | 0 | 0 | 0 | 0 | 108.7 | E41 E45 | E41-A43 PolarHBondContact O-N 3.26Å; A43-E45 PolarHBondContact O-N 3.42Å |
| 44 | A | 42.9 | Very low | 40.3 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | | | trans | -49.6 | 116.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | K42 E46 | K42-A44 PolarHBondContact O-N 2.64Å; K42-A44 VanDerWaalsContact O-N 3.15Å; A44-E46 PolarHBondContact O-N 2.83Å |
| 45 | E | 40.9 | Very low | 39.9 | Very low | 162 Ų | 162 | 141 Ų | 141 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | trans | -49.6 | 118.8 | 171.7 | -73.8 | 174.8 | 168.9 | 0 | 0 | 106.7 | A43 H47 | A43-E45 PolarHBondContact O-N 3.42Å; E45-H47 VanDerWaalsContact C-N 3.3Å; E45-H47 PolarHBondContact O-N 3.07Å |
| 46 | E | 40.7 | Very low | 39.7 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | | | trans | -57.3 | 97.2 | 176.7 | -80 | -178.7 | 142.6 | 0 | 0 | 107.7 | A44 P48 | A44-E46 PolarHBondContact O-N 2.83Å; E46-P48 VanDerWaalsContact O-CD 3.31Å; E46-P48 WeakPolarHBondContact O-CD 3.22Å |
| 47 | H | 34.3 | Very low | 39.6 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 119.6 | 168.4 | -67.7 | -58.6 | 0 | 0 | 0 | 106.8 | E45 L49 | E45-H47 VanDerWaalsContact C-N 3.3Å; E45-H47 PolarHBondContact O-N 3.07Å; H47-L49 PolarHBondContact O-N 3.08Å |
| 48 | P | 41.8 | Very low | 39.4 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 120.3 | 177.4 | 19.9 | -29.2 | 0 | 0 | 0 | 108.3 | E46 L50 | E46-P48 VanDerWaalsContact O-CD 3.31Å; E46-P48 WeakPolarHBondContact O-CD 3.22Å; P48-L50 PolarHBondContact O-N 2.85Å |
| 49 | L | 39.7 | Very low | 39.4 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 126.6 | 176.2 | -75.9 | 166.7 | 0 | 0 | 0 | 107.9 | H47 V51 | H47-L49 PolarHBondContact O-N 3.08Å; L49-V51 VanDerWaalsContact C-N 3.25Å; L49-V51 PolarHBondContact O-N 2.85Å |
| 50 | L | 43.2 | Very low | 39.3 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | | | trans | -59.1 | 91.6 | 170.7 | -72.9 | 166.9 | 0 | 0 | 0 | 108.1 | P48 S52 | P48-L50 PolarHBondContact O-N 2.85Å; L50-S52 PolarHBondContact O-N 2.68Å; L50-S52 VanDerWaalsContact O-N 3.12Å |
| 51 | V | 40.8 | Very low | 39.3 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -63.2 | 118.3 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 106.1 | L49 E53 | L49-V51 VanDerWaalsContact C-N 3.25Å; L49-V51 PolarHBondContact O-N 2.85Å; V51-E53 PolarHBondContact O-N 2.89Å |
| 52 | S | 39.9 | Very low | 39.2 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -63.6 | 108.8 | 179 | -49.1 | 0 | 0 | 0 | 0 | 107.8 | L50 Q54 | L50-S52 PolarHBondContact O-N 2.68Å; L50-S52 VanDerWaalsContact O-N 3.12Å; S52-Q54 PolarHBondContact O-N 3.04Å |
| 53 | E | 41.3 | Very low | 39.2 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -64 | 85.2 | 176.7 | -67.3 | -172.6 | 172.6 | 0 | 0 | 109.6 | V51 T55 | V51-E53 PolarHBondContact O-N 2.89Å; E53-T55 PolarHBondContact O-N 2.83Å |
| 54 | Q | 35.6 | Very low | 39.2 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | -76.6 | 82.6 | 161.1 | -163.4 | 132.3 | 50.8 | 0 | 0 | 106.4 | S52 A56 | S52-Q54 PolarHBondContact O-N 3.04Å; Q54-A56 VanDerWaalsContact C-N 3.32Å; Q54-A56 PolarHBondContact O-N 2.97Å |
| 55 | T | 38.4 | Very low | 39 | Very low | 82 Ų | 82 | 149.7 Ų | 149.7 | 50% | 0.503 | 77% | 0.767 | S | S | . | * | | | trans | -59.5 | 95.4 | 171 | 27.6 | 0 | 0 | 0 | 0 | 108.1 | E53 Y57 | E53-T55 PolarHBondContact O-N 2.83Å; T55-Y57 VanDerWaalsContact C-N 3.27Å; T55-Y57 VanDerWaalsContact CB-CE2 3.45Å; T55-Y57 HydrophobicContact CG2-CE2 4.13Å; T55-Y57 WeakPolarHBondContact O-CD2 3.28Å; T55-Y57 PolarHBondContact O-N 3.38Å; T55-Y57 WeakPolarHBondContact OG1-CE2 3.28Å |
| 56 | A | 38.2 | Very low | 38.8 | Very low | 91 Ų | 91 | 147.4 Ų | 147.4 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -69.7 | 91.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q54 D58 | Q54-A56 VanDerWaalsContact C-N 3.32Å; Q54-A56 PolarHBondContact O-N 2.97Å; A56-D58 PolarHBondContact O-N 3.14Å |
| 57 | Y | 36.4 | Very low | 38.6 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | | | trans | -70.7 | 16.9 | -179.4 | -90.9 | -82.7 | 0 | 0 | 0 | 114.5 | T55 | T55-Y57 VanDerWaalsContact C-N 3.27Å; T55-Y57 VanDerWaalsContact CB-CE2 3.45Å; T55-Y57 HydrophobicContact CG2-CE2 4.13Å; T55-Y57 WeakPolarHBondContact O-CD2 3.28Å; T55-Y57 PolarHBondContact O-N 3.38Å; T55-Y57 WeakPolarHBondContact OG1-CE2 3.28Å |
| 58 | D | 35.7 | Very low | 38.7 | Very low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -100.6 | 13 | -164.9 | -75.4 | -11.8 | 0 | 0 | 0 | 115.5 | A56 | A56-D58 PolarHBondContact O-N 3.14Š|
| 59 | Q | 35.4 | Very low | 38.6 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | | | trans | -155.2 | 34.8 | 179.3 | -137.4 | 161.7 | 79.5 | 0 | 0 | 117 | I61 | Q59-I61 HydrophobicContact CG-CD1 4.1Å; Q59-I61 HydrophobicContact CG-CG1 4.09Å; Q59-I61 PolarHBondContact O-N 3.06Å |
| 60 | I | 40.2 | Very low | 38.4 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | | | trans | -78.8 | 83.7 | 158.2 | -54.2 | 175.5 | 0 | 0 | 0 | 105.8 | D62 | I60-D62 PolarHBondContact O-N 2.79Š|
| 61 | I | 38.2 | Very low | 38.2 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 64% | 0.641 | 76% | 0.756 | S | S | * | * | | | trans | -62.2 | 120 | 170.1 | -64.5 | 169.9 | 0 | 0 | 0 | 106.1 | Q59 E63 | Q59-I61 HydrophobicContact CG-CD1 4.1Å; Q59-I61 HydrophobicContact CG-CG1 4.09Å; Q59-I61 PolarHBondContact O-N 3.06Å; I61-E63 VanDerWaalsContact C-N 3.34Å; I61-E63 PolarHBondContact O-N 2.86Å |
| 62 | D | 36.6 | Very low | 38.1 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | -46.5 | 94.1 | 167.9 | -86.9 | -37.2 | 0 | 0 | 0 | 110.5 | I60 | I60-D62 PolarHBondContact O-N 2.79Š|
| 63 | E | 41.4 | Very low | 38.1 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | -113 | 52.1 | 154.1 | -68.1 | -163.2 | -174.7 | 0 | 0 | 108.6 | I61 K65 | I61-E63 VanDerWaalsContact C-N 3.34Å; I61-E63 PolarHBondContact O-N 2.86Å; E63-K65 PolarHBondContact O-N 3Å |
| 64 | E | 41.1 | Very low | 38 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | | | trans | -66.9 | 81.2 | 154.9 | -97.4 | -157.9 | 151.9 | 0 | 0 | 108 | C66 | E64-C66 VanDerWaalsContact C-N 3.33Å; E64-C66 PolarHBondContact O-N 2.87Å; E64-C66 VanDerWaalsContact O-N 3.09Å |
| 65 | K | 39.7 | Very low | 38.3 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 67% | 0.665 | 73% | 0.734 | S | S | * | * | | | trans | -78.1 | 89.5 | 169.4 | -164 | 175.2 | -177.6 | -166.8 | 0 | 107.5 | E63 H67 | E63-K65 PolarHBondContact O-N 3Å; K65-H67 WeakPolarHBondContact CD-NE2 3.39Å; K65-H67 WeakPolarHBondContact CE-NE2 3.19Å; K65-H67 PolarHBondContact O-N 2.77Å |
| 66 | C | 36 | Very low | 38.3 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | trans | -51.3 | 102.1 | 170.7 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | E64 | E64-C66 VanDerWaalsContact C-N 3.33Å; E64-C66 PolarHBondContact O-N 2.87Å; E64-C66 VanDerWaalsContact O-N 3.09Å |
| 67 | H | 36.5 | Very low | 38.3 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | | | trans | -98 | 104.9 | 167.2 | -83.5 | -61.5 | 0 | 0 | 0 | 109.5 | K65 | K65-H67 WeakPolarHBondContact CD-NE2 3.39Å; K65-H67 WeakPolarHBondContact CE-NE2 3.19Å; K65-H67 PolarHBondContact O-N 2.77Å |
| 68 | D | 36.5 | Very low | 38.3 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | trans | -34.3 | 129.9 | 171.4 | -125.8 | -18.6 | 0 | 0 | 0 | 115.7 | | |
| 69 | S | 39.1 | Very low | 38.6 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | | | trans | 56.3 | 116.6 | 131.6 | 70.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 70 | N | 36.3 | Very low | 38.6 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | | | | 75.7 | 83 | 118.7 | -164 | 47 | 0 | 0 | 0 | 118.2 | | |
| 71 | E | 39.9 | Very low | 38.4 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | | | trans | -115.7 | 96.6 | 159.6 | -147.3 | 166.6 | -158.8 | 0 | 0 | 110.3 | | |
| 72 | H | 37.8 | Very low | 38.2 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | | | trans | 53.8 | 88.4 | 143.7 | -147.6 | 27.8 | 0 | 0 | 0 | 118.5 | D74 | H72-D74 VanDerWaalsContact C-N 3.31Å; H72-D74 IonicContact CE1-OD1 3.86Å; H72-D74 IonicContact NE2-OD1 3.7Å; H72-D74 IonicContact NE2-OD2 2.73Å; H72-D74 PolarHBondContact O-N 3.01Å |
| 73 | C | 38.9 | Very low | 38.2 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | | | trans | -70.7 | 89.1 | 156.1 | -54.5 | 0 | 0 | 0 | 0 | 109 | V75 | C73-V75 VanDerWaalsContact C-N 3.32Å; C73-V75 HydrophobicContact CB-CG2 4.45Å; C73-V75 PolarHBondContact O-N 3.33Å |
| 74 | D | 40.8 | Very low | 37.9 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 58% | 0.578 | 76% | 0.755 | S | S | * | * | | | trans | -78 | 88.4 | 171.5 | -133.5 | 1.7 | 0 | 0 | 0 | 108.3 | H72 N76 | H72-D74 VanDerWaalsContact C-N 3.31Å; H72-D74 IonicContact CE1-OD1 3.86Å; H72-D74 IonicContact NE2-OD1 3.7Å; H72-D74 IonicContact NE2-OD2 2.73Å; H72-D74 PolarHBondContact O-N 3.01Å; D74-N76 VanDerWaalsContact C-N 3.34Å; D74-N76 PolarHBondContact O-N 3.01Å; D74-N76 VanDerWaalsContact O-N 3.08Å |
| 75 | V | 41.3 | Very low | 37.9 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | -75.5 | 86.9 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | C73 | C73-V75 VanDerWaalsContact C-N 3.32Å; C73-V75 HydrophobicContact CB-CG2 4.45Å; C73-V75 PolarHBondContact O-N 3.33Å |
| 76 | N | 38.1 | Very low | 38.1 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | | | trans | -102.4 | 108.6 | 170.3 | -79.4 | -45 | 0 | 0 | 0 | 110.7 | D74 | D74-N76 VanDerWaalsContact C-N 3.34Å; D74-N76 PolarHBondContact O-N 3.01Å; D74-N76 VanDerWaalsContact O-N 3.08Å |
| 77 | D | 38.2 | Very low | 38.2 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | 49.3 | 104.6 | 140.1 | -72.5 | -20.1 | 0 | 0 | 0 | 120.2 | N79 | D77-N79 PolarHBondContact O-N 2.94Š|
| 78 | D | 37.1 | Very low | 38 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | | 11 | 101.1 | 122.6 | -72.8 | -26.6 | 0 | 0 | 0 | 116.3 | | |
| 79 | N | 41.9 | Very low | 37.9 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | -145.7 | 106.3 | 142.4 | -154.4 | 4.9 | 0 | 0 | 0 | 113.4 | D77 N81 | D77-N79 PolarHBondContact O-N 2.94Å; N79-N81 PolarHBondContact O-N 2.81Å |
| 80 | N | 34.4 | Very low | 37.8 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | -43.8 | 110.5 | 160.8 | -142.2 | 0.5 | 0 | 0 | 0 | 112.3 | | |
| 81 | N | 36.2 | Very low | 38.1 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -163.5 | 134.9 | 141.8 | -135.4 | -13.8 | 0 | 0 | 0 | 115 | N79 | N79-N81 PolarHBondContact O-N 2.81Š|
| 82 | H | 34.1 | Very low | 37.9 | Very low | 177 Ų | 177 | 141 Ų | 141 | 82% | 0.819 | 75% | 0.752 | S | S | * | * | | | trans | -56.6 | 129.8 | 169.1 | -77.7 | -71.8 | 0 | 0 | 0 | 112.5 | | |
| 83 | G | 37.6 | Very low | 37.8 | Very low | 55 Ų | 55 | 141.8 Ų | 141.8 | 57% | 0.567 | 76% | 0.761 | S | S | * | * | | | trans | -165.8 | 75.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T85 | G83-T85 PolarHBondContact O-N 2.79Š|
| 84 | N | 34.2 | Very low | 37.9 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | | | trans | -67.4 | 66.2 | 169.9 | -58.5 | -8.6 | 0 | 0 | 0 | 109.4 | S86 | N84-S86 PolarHBondContact O-N 3.32Š|
| 85 | T | 40.3 | Very low | 37.9 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | | | trans | -93 | 94.4 | 166.6 | 55.8 | 0 | 0 | 0 | 0 | 107.2 | G83 K87 | G83-T85 PolarHBondContact O-N 2.79Å; T85-K87 PolarHBondContact O-N 2.92Å |
| 86 | S | 43.9 | Very low | 37.8 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | | | trans | -48.7 | 84.9 | 152.2 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | N84 | N84-S86 PolarHBondContact O-N 3.32Š|
| 87 | K | 40.1 | Very low | 37.9 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | | | trans | -112.7 | 82.6 | 158 | -69 | -165.9 | 178.8 | -173.7 | 0 | 103.9 | T85 R89 | T85-K87 PolarHBondContact O-N 2.92Å; K87-R89 PolarHBondContact O-N 3.07Å |
| 88 | Q | 30.6 | Very low | 38 | Very low | 178 Ų | 178 | 143.6 Ų | 143.6 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -46.6 | 115.8 | 156.5 | -81.3 | -179.9 | -45 | 0 | 0 | 105.6 | | |
| 89 | R | 35.2 | Very low | 38.3 | Very low | 218 Ų | 218 | 140.6 Ų | 140.6 | 82% | 0.823 | 75% | 0.745 | S | S | * | * | | | trans | -58.5 | 125.9 | 169.3 | -80.4 | -179.5 | 169 | 171.7 | -4.5 | 105.3 | K87 D91 | K87-R89 PolarHBondContact O-N 3.07Å; R89-D91 PolarHBondContact O-N 2.79Å |
| 90 | P | 37.5 | Very low | 38.2 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | | | trans | -47.8 | 135.3 | 174.1 | -23.7 | 32.3 | 0 | 0 | 0 | 108.3 | H92 | P90-H92 VanDerWaalsContact C-N 3.35Å; P90-H92 PolarHBondContact O-N 2.76Å |
| 91 | D | 41.1 | Very low | 38.6 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | | | trans | -37.9 | 102.7 | 170.9 | -65.1 | -49.6 | 0 | 0 | 0 | 107.9 | R89 D93 | R89-D91 PolarHBondContact O-N 2.79Å; D91-D93 PolarHBondContact O-N 2.86Å |
| 92 | H | 37 | Very low | 38.6 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 68% | 0.676 | 70% | 0.696 | S | S | * | * | | | trans | -69.7 | 101.7 | 166.6 | -88.4 | -79.5 | 0 | 0 | 0 | 103.4 | P90 E94 | P90-H92 VanDerWaalsContact C-N 3.35Å; P90-H92 PolarHBondContact O-N 2.76Å; H92-E94 HydrophobicContact CB-CG 3.6Å; H92-E94 PolarHBondContact O-N 2.73Å |
| 93 | D | 35.4 | Very low | 39.2 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 67% | 0.674 | S | S | * | * | | | trans | -54.9 | 71 | 153.6 | -61.8 | -42.4 | 0 | 0 | 0 | 106.7 | D91 E95 | D91-D93 PolarHBondContact O-N 2.86Å; D93-E95 PolarHBondContact O-N 3.03Å |
| 94 | E | 41.6 | Very low | 39.4 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | | | trans | -73.6 | 86.5 | 174.6 | -64.2 | -154.7 | 174.9 | 0 | 0 | 106 | H92 S96 | H92-E94 HydrophobicContact CB-CG 3.6Å; H92-E94 PolarHBondContact O-N 2.73Å; E94-S96 PolarHBondContact O-N 2.66Å |
| 95 | E | 39.5 | Very low | 40.1 | Very low | 165 Ų | 165 | 124.8 Ų | 124.8 | 77% | 0.771 | 65% | 0.651 | S | S | * | * | | | trans | -4.9 | 97.4 | 139.5 | -169.9 | 176.9 | 166 | 0 | 0 | 110.4 | D93 T97 | D93-E95 PolarHBondContact O-N 3.03Å; E95-T97 VanDerWaalsContact C-N 3.27Å; E95-T97 PolarHBondContact O-N 3.1Å |
| 96 | S | 38.8 | Very low | 40 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | | | trans | -60.1 | 98.1 | 176.7 | -174.5 | 0 | 0 | 0 | 0 | 106.7 | E94 L98 | E94-S96 PolarHBondContact O-N 2.66Å; S96-L98 PolarHBondContact O-N 3.27Å |
| 97 | T | 41.2 | Very low | 40.2 | Very low | 100 Ų | 100 | 129 Ų | 129 | 61% | 0.613 | 65% | 0.646 | S | S | * | * | | | trans | -77.9 | 84.4 | -176.6 | 26.7 | 0 | 0 | 0 | 0 | 106.5 | E95 T99 | E95-T97 VanDerWaalsContact C-N 3.27Å; E95-T97 PolarHBondContact O-N 3.1Å; T97-T99 VanDerWaalsContact C-N 3.35Å; T97-T99 PolarHBondContact O-N 2.72Å; T97-T99 PolarHBondContact O-OG1 2.65Å |
| 98 | L | 39.3 | Very low | 40.6 | Very low | 142 Ų | 142 | 132 Ų | 132 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | | | trans | -54.4 | 107.1 | 160.7 | -69.3 | 174.8 | 0 | 0 | 0 | 106.4 | S96 E100 | S96-L98 PolarHBondContact O-N 3.27Å; L98-E100 PolarHBondContact O-N 3.39Å |
| 99 | T | 45.4 | Very low | 41.5 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 61% | 0.613 | 64% | 0.638 | S | S | * | * | | | trans | -81.3 | 104.9 | 175 | -54.2 | 0 | 0 | 0 | 0 | 106.5 | T97 V101 | T97-T99 VanDerWaalsContact C-N 3.35Å; T97-T99 PolarHBondContact O-N 2.72Å; T97-T99 PolarHBondContact O-OG1 2.65Å; T99-V101 HydrophobicContact CG2-CG2 4.26Å; T99-V101 PolarHBondContact O-N 2.84Å |
| 100 | E | 38.7 | Very low | 42.5 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 66% | 0.659 | 64% | 0.641 | S | S | * | * | | | trans | -67.4 | 121.9 | 172.4 | -172.7 | 175.3 | -169.7 | 0 | 0 | 108.9 | L98 | L98-E100 PolarHBondContact O-N 3.39Š|
| 101 | V | 42 | Very low | 43.4 | Very low | 54 Ų | 54 | 126.9 Ų | 126.9 | 33% | 0.327 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.1 | 111.6 | 175.5 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | T99 I103 | T99-V101 HydrophobicContact CG2-CG2 4.26Å; T99-V101 PolarHBondContact O-N 2.84Å; V101-I103 HydrophobicContact CG1-CG1 4.13Å |
| 102 | T | 38.2 | Very low | 43.9 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 45% | 0.448 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.8 | 174 | -44.8 | 0 | 0 | 0 | 0 | 109.3 | E116 | T102-E116 HydrophobicContact CG2-CG 4.37Å |
| 103 | I | 46.1 | Very low | 44.6 | Very low | 71 Ų | 71 | 128.4 Ų | 128.4 | 36% | 0.364 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 107.2 | 175.1 | -56.7 | 176 | 0 | 0 | 0 | 108.4 | V101 K105 V119 | V101-I103 HydrophobicContact CG1-CG1 4.13Å; I103-K105 HydrophobicContact CG2-CG 4.24Å; I103-K105 PolarHBondContact O-N 2.74Å; I103-V119 HydrophobicContact CD1-CB 4.38Å |
| 104 | T | 42.3 | Very low | 45.2 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 48% | 0.479 | 65% | 0.646 | S | S | . | * | | | trans | -84.4 | 109.1 | 173 | -45.1 | 0 | 0 | 0 | 0 | 109.8 | F106 | T104-F106 HydrophobicContact CG2-CE1 4.44Å; T104-F106 HydrophobicContact CG2-CE2 4.04Å; T104-F106 HydrophobicContact CG2-CZ 3.92Å |
| 105 | K | 47.5 | Very low | 45.6 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 46% | 0.461 | 63% | 0.632 | S | S | . | * | | | trans | -92.9 | 122.7 | 172.3 | -71.3 | 177.2 | -173.2 | 155.7 | 0 | 110.1 | I103 E117 | I103-K105 HydrophobicContact CG2-CG 4.24Å; I103-K105 PolarHBondContact O-N 2.74Å; K105-E117 IonicContact NZ-OE2 3.67Å; K105-E117 PolarHBondContact NZ-OE2 2.83Å |
| 106 | F | 39.3 | Very low | 45.8 | Very low | 163 Ų | 163 | 125.3 Ų | 125.3 | 72% | 0.715 | 63% | 0.628 | S | S | * | * | | | trans | -89.1 | 108.3 | 172.2 | -62.4 | -88.8 | 0 | 0 | 0 | 109.3 | T104 R108 | T104-F106 HydrophobicContact CG2-CE1 4.44Å; T104-F106 HydrophobicContact CG2-CE2 4.04Å; T104-F106 HydrophobicContact CG2-CZ 3.92Å; F106-R108 PolarHBondContact O-N 2.74Å |
| 107 | K | 47.9 | Very low | 46.3 | Very low | 144 Ų | 144 | 125 Ų | 125 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | | | trans | -77.2 | 114.7 | 167.9 | -159.6 | 176.8 | -176.6 | -179.1 | 0 | 107.6 | N109 F115 | K107-N109 PolarHBondContact O-N 3.08Å; K107-F115 HydrophobicContact CB-CE1 4.15Å; K107-F115 HydrophobicContact CD-CE1 4.28Å |
| 108 | R | 47.7 | Very low | 46.4 | Very low | 240 Ų | 240 | 123.3 Ų | 123.3 | 91% | 0.906 | 61% | 0.607 | S | S | * | * | | | trans | -74.8 | 68.1 | 174.7 | -170.1 | -167 | -70.8 | 158.2 | -1.8 | 109.8 | F106 | F106-R108 PolarHBondContact O-N 2.74Š|
| 109 | N | 50.7 | Low | 46.6 | Very low | 98 Ų | 98 | 119.1 Ų | 119.1 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -125.6 | 141.6 | 164.3 | -78.8 | -14.8 | 0 | 0 | 0 | 107.1 | K107 D111 | K107-N109 PolarHBondContact O-N 3.08Å; N109-D111 CarbonylContact O-C 3.6Å; N109-D111 PolarHBondContact O-N 3.29Å |
| 110 | N | 56 | Low | 46.2 | Very low | 165 Ų | 165 | 122.9 Ų | 122.9 | 88% | 0.882 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -60.3 | 1.4 | -170.4 | -71.9 | -20 | 0 | 0 | 0 | 116 | | |
| 111 | D | 56.7 | Low | 46.3 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 71% | 0.711 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -102.4 | 105.3 | 174.1 | -56.1 | -43.9 | 0 | 0 | 0 | 105.5 | N109 E113 | N109-D111 CarbonylContact O-C 3.6Å; N109-D111 PolarHBondContact O-N 3.29Å; D111-E113 PolarHBondContact O-N 3.22Å |
| 112 | D | 50.9 | Low | 46.2 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 85% | 0.845 | 61% | 0.612 | S | S | * | * | | | trans | -64.9 | 40.2 | -175.8 | -69.6 | -47.1 | 0 | 0 | 0 | 113.7 | Q114 | D112-Q114 VanDerWaalsContact C-N 3.32Å; D112-Q114 PolarHBondContact O-N 2.79Å |
| 113 | E | 52.2 | Low | 46.4 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 79% | 0.785 | 62% | 0.615 | S | S | * | * | | | trans | -75.5 | 88.7 | 169.2 | -74.3 | -170.7 | 172.9 | 0 | 0 | 108.9 | D111 F115 | D111-E113 PolarHBondContact O-N 3.22Å; E113-F115 PolarHBondContact O-N 3.39Å |
| 114 | Q | 47.5 | Very low | 46.2 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | | | trans | -65.7 | 116.3 | 162.5 | -66.1 | -179.7 | 12.8 | 0 | 0 | 107.9 | D112 | D112-Q114 VanDerWaalsContact C-N 3.32Å; D112-Q114 PolarHBondContact O-N 2.79Å |
| 115 | F | 49 | Very low | 46.3 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 45% | 0.452 | 64% | 0.643 | S | S | . | * | | | trans | -108.7 | 127.5 | 164.7 | 59.4 | -87.9 | 0 | 0 | 0 | 108.3 | K107 E113 | K107-F115 HydrophobicContact CB-CE1 4.15Å; K107-F115 HydrophobicContact CD-CE1 4.28Å; E113-F115 PolarHBondContact O-N 3.39Å |
| 116 | E | 45.5 | Very low | 46.2 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | | | trans | -85.2 | 117.2 | 173.3 | -167.3 | 167.9 | -165.5 | 0 | 0 | 107.5 | T102 | T102-E116 HydrophobicContact CG2-CG 4.37Š|
| 117 | E | 47.3 | Very low | 46.6 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 36% | 0.364 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 107.3 | 176 | -174 | -178.8 | -153.1 | 0 | 0 | 108.1 | K105 V119 | K105-E117 IonicContact NZ-OE2 3.67Å; K105-E117 PolarHBondContact NZ-OE2 2.83Å; E117-V119 HydrophobicContact CG-CG2 3.93Å; E117-V119 PolarHBondContact O-N 3.11Å |
| 118 | T | 43.4 | Very low | 46.6 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 40% | 0.399 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.2 | 110 | 170.8 | -50.3 | 0 | 0 | 0 | 0 | 108.4 | Y120 | T118-Y120 HydrophobicContact CG2-CE1 4.23Å; T118-Y120 HydrophobicContact CG2-CE2 4.08Å |
| 119 | V | 44.6 | Very low | 46.7 | Very low | 53 Ų | 53 | 127.3 Ų | 127.3 | 32% | 0.321 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.9 | 174.9 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | I103 E117 Q121 | I103-V119 HydrophobicContact CD1-CB 4.38Å; E117-V119 HydrophobicContact CG-CG2 3.93Å; E117-V119 PolarHBondContact O-N 3.11Å; V119-Q121 PolarHBondContact O-N 3.09Å |
| 120 | Y | 36.7 | Very low | 46.7 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | | | trans | -81.5 | 113.4 | 172.4 | -61.7 | -80.9 | 0 | 0 | 0 | 109.1 | T118 | T118-Y120 HydrophobicContact CG2-CE1 4.23Å; T118-Y120 HydrophobicContact CG2-CE2 4.08Å |
| 121 | Q | 40.5 | Very low | 46.6 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 65% | 0.654 | 64% | 0.635 | S | S | * | * | | | trans | -90.9 | 107.9 | 172 | -164.8 | 148.2 | 50.3 | 0 | 0 | 108.7 | V119 S123 | V119-Q121 PolarHBondContact O-N 3.09Å; Q121-S123 PolarHBondContact O-N 3.24Å |
| 122 | I | 39.8 | Very low | 46.3 | Very low | 148 Ų | 148 | 122.9 Ų | 122.9 | 76% | 0.759 | 62% | 0.618 | S | S | * | * | | | trans | -72.6 | 110.7 | 172.3 | -57.6 | 169.8 | 0 | 0 | 0 | 106 | K124 | I122-K124 PolarHBondContact O-N 3.01Š|
| 123 | S | 43.3 | Very low | 46.6 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | | | trans | -55.7 | 125.6 | 165.3 | 44.3 | 0 | 0 | 0 | 0 | 106.8 | Q121 E125 | Q121-S123 PolarHBondContact O-N 3.24Å; S123-E125 PolarHBondContact O-N 2.76Å |
| 124 | K | 42.3 | Very low | 47.1 | Very low | 198 Ų | 198 | 115.7 Ų | 115.7 | 86% | 0.861 | 59% | 0.589 | S | S | * | * | | | trans | -67.5 | 71.4 | 164 | -80.5 | -178.4 | 177.7 | 173.7 | 0 | 107 | I122 T126 | I122-K124 PolarHBondContact O-N 3.01Å; K124-T126 PolarHBondContact O-N 2.83Å |
| 125 | E | 43.7 | Very low | 47.8 | Very low | 123 Ų | 123 | 110 Ų | 110 | 58% | 0.575 | 56% | 0.564 | S | S | * | * | | | trans | -63.4 | 101.2 | 152.4 | -157 | -174.1 | 147.6 | 0 | 0 | 103.7 | S123 T127 | S123-E125 PolarHBondContact O-N 2.76Å; E125-T127 PolarHBondContact O-N 2.81Å; E125-T127 PolarHBondContact O-OG1 3.1Å |
| 126 | T | 44.6 | Very low | 48.5 | Very low | 134 Ų | 134 | 109 Ų | 109 | 82% | 0.822 | 56% | 0.561 | S | S | * | * | | | trans | -64.4 | 61.7 | 157 | 14.7 | 0 | 0 | 0 | 0 | 107 | K124 N128 | K124-T126 PolarHBondContact O-N 2.83Å; T126-N128 PolarHBondContact O-N 2.86Å |
| 127 | T | 48.4 | Very low | 49.3 | Very low | 70 Ų | 70 | 108.6 Ų | 108.6 | 43% | 0.429 | 56% | 0.559 | S | S | . | * | | | trans | -49.3 | 130.2 | 149.7 | -35.8 | 0 | 0 | 0 | 0 | 103.1 | E125 N129 | E125-T127 PolarHBondContact O-N 2.81Å; E125-T127 PolarHBondContact O-OG1 3.1Å; T127-N129 PolarHBondContact O-N 3.35Å |
| 128 | N | 48.4 | Very low | 50 | Low | 152 Ų | 152 | 108.7 Ų | 108.7 | 81% | 0.813 | 56% | 0.556 | S | S | * | * | | | trans | -60 | 78.7 | 168.5 | -65 | -60.4 | 0 | 0 | 0 | 105.8 | T126 I130 | T126-N128 PolarHBondContact O-N 2.86Å; N128-I130 PolarHBondContact O-N 3.46Å |
| 129 | N | 49.5 | Very low | 51 | Low | 125 Ų | 125 | 109.1 Ų | 109.1 | 67% | 0.668 | 56% | 0.555 | S | S | * | * | | | trans | -64.1 | 95.9 | 172.2 | -83.6 | -20.2 | 0 | 0 | 0 | 100.5 | T127 I131 | T127-N129 PolarHBondContact O-N 3.35Å; N129-I131 HydrophobicContact CB-CG1 4.41Å; N129-I131 PolarHBondContact O-N 3Å |
| 130 | I | 50.7 | Low | 51.9 | Low | 153 Ų | 153 | 112.4 Ų | 112.4 | 79% | 0.785 | 57% | 0.565 | S | S | * | * | | | trans | -60.8 | 81.4 | 158.9 | -60.2 | 166.4 | 0 | 0 | 0 | 101.8 | N128 N132 | N128-I130 PolarHBondContact O-N 3.46Å; I130-N132 PolarHBondContact O-N 2.92Å |
| 131 | I | 52.5 | Low | 53.1 | Low | 86 Ų | 86 | 108.1 Ų | 108.1 | 44% | 0.441 | 56% | 0.561 | S | S | . | * | | | trans | -52.9 | 116.8 | 167.7 | -64.7 | 169.2 | 0 | 0 | 0 | 101.5 | N129 P133 L135 E136 | N129-I131 HydrophobicContact CB-CG1 4.41Å; N129-I131 PolarHBondContact O-N 3Å; I131-P133 WeakPolarHBondContact O-CD 3.41Å; I131-L135 HydrophobicContact CG2-CB 4.28Å; I131-E136 HydrophobicContact CG2-CB 3.83Å |
| 132 | N | 51.7 | Low | 54 | Low | 64 Ų | 64 | 103.1 Ų | 103.1 | 34% | 0.342 | 54% | 0.542 | S | S | . | . | | | trans | -46.6 | 120.5 | 177.6 | 176.5 | 0.3 | 0 | 0 | 0 | 106.2 | I130 D134 L135 E136 | I130-N132 PolarHBondContact O-N 2.92Å; N132-D134 PolarHBondContact O-N 2.84Å; N132-D134 PolarHBondContact OD1-N 2.73Å; N132-L135 HydrophobicContact CB-CB 4.22Å; N132-L135 WeakPolarHBondContact O-CA 3.24Å; N132-L135 VanDerWaalsContact O-CB 3.28Å; N132-L135 WeakPolarHBondContact O-CB 3.21Å; N132-L135 PolarHBondContact O-N 3.33Å; N132-E136 PolarHBondContact O-N 2.93Å; N132-E136 VanDerWaalsContact O-N 3.12Å |
| 133 | P | 58 | Low | 54.6 | Low | 82 Ų | 82 | 104.7 Ų | 104.7 | 53% | 0.532 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -54.4 | -29.8 | -172.7 | 16.7 | -30.7 | 0 | 0 | 0 | 111.9 | I131 L135 E136 E137 | I131-P133 WeakPolarHBondContact O-CD 3.41Å; P133-L135 VanDerWaalsContact C-N 3.33Å; P133-L135 PolarHBondContact O-N 3.27Å; P133-E136 PolarHBondContact O-N 2.91Å; P133-E137 PolarHBondContact O-N 3.43Å |
| 134 | D | 62.6 | Low | 55.2 | Low | 94 Ų | 94 | 108.4 Ų | 108.4 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.5 | -36.6 | 173.9 | -62.3 | -12.9 | 0 | 0 | 0 | 112.6 | N132 W138 | N132-D134 PolarHBondContact O-N 2.84Å; N132-D134 PolarHBondContact OD1-N 2.73Å; D134-W138 WeakPolarHBondContact O-CB 3.23Å; D134-W138 PolarHBondContact O-N 2.96Å |
| 135 | L | 60.8 | Low | 55.4 | Low | 43 Ų | 43 | 105.7 Ų | 105.7 | 23% | 0.225 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -73.6 | -39.1 | 177.2 | -147.5 | 89.8 | 0 | 0 | 0 | 111 | I131 N132 P133 W138 I139 F215 | I131-L135 HydrophobicContact CG2-CB 4.28Å; N132-L135 HydrophobicContact CB-CB 4.22Å; N132-L135 WeakPolarHBondContact O-CA 3.24Å; N132-L135 VanDerWaalsContact O-CB 3.28Å; N132-L135 WeakPolarHBondContact O-CB 3.21Å; N132-L135 PolarHBondContact O-N 3.33Å; P133-L135 VanDerWaalsContact C-N 3.33Å; P133-L135 PolarHBondContact O-N 3.27Å; L135-W138 PolarHBondContact O-N 2.73Å; L135-I139 HydrophobicContact CD2-CD1 4.36Å; L135-I139 VanDerWaalsContact O-CG1 3.23Å; L135-I139 WeakPolarHBondContact O-CG1 3.12Å; L135-I139 PolarHBondContact O-N 3.02Å; L135-F215 HydrophobicContact CD1-CE1 3.77Å; L135-F215 HydrophobicContact CD1-CZ 3.71Å |
| 136 | E | 64.1 | Low | 55.5 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 39% | 0.388 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 176.4 | -165.2 | 178.3 | 167.3 | 0 | 0 | 111.2 | I131 N132 P133 W138 I139 K140 | I131-E136 HydrophobicContact CG2-CB 3.83Å; N132-E136 PolarHBondContact O-N 2.93Å; N132-E136 VanDerWaalsContact O-N 3.12Å; P133-E136 PolarHBondContact O-N 2.91Å; E136-W138 VanDerWaalsContact C-N 3.33Å; E136-I139 PolarHBondContact O-N 3.49Å; E136-K140 HydrophobicContact CG-CD 4.3Å; E136-K140 WeakPolarHBondContact O-CB 3.28Å; E136-K140 VanDerWaalsContact O-CG 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.37Å; E136-K140 PolarHBondContact O-N 2.74Å; E136-K140 WeakPolarHBondContact OE1-CE 3.19Å; E136-K140 IonicContact OE1-NZ 2.65Å; E136-K140 PolarHBondContact OE1-NZ 3.27Å |
| 137 | E | 62.2 | Low | 55.4 | Low | 138 Ų | 138 | 104.6 Ų | 104.6 | 65% | 0.645 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61 | -41.7 | 170.8 | -88.3 | -158.4 | 157.2 | 0 | 0 | 111.9 | P133 K140 S141 | P133-E137 PolarHBondContact O-N 3.43Å; E137-K140 PolarHBondContact O-N 2.86Å; E137-S141 WeakPolarHBondContact O-CB 3.12Å; E137-S141 PolarHBondContact O-N 2.9Å; E137-S141 PolarHBondContact O-OG 2.67Å |
| 138 | W | 63 | Low | 55.2 | Low | 79 Ų | 79 | 104.2 Ų | 104.2 | 30% | 0.299 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 178.7 | -178.3 | 88.6 | 0 | 0 | 0 | 111.9 | D134 L135 E136 S141 S142 P209 A210 | D134-W138 WeakPolarHBondContact O-CB 3.23Å; D134-W138 PolarHBondContact O-N 2.96Å; L135-W138 PolarHBondContact O-N 2.73Å; E136-W138 VanDerWaalsContact C-N 3.33Å; W138-S141 PolarHBondContact O-N 2.94Å; W138-S142 VanDerWaalsContact CE2-OG 3.32Å; W138-S142 WeakPolarHBondContact O-CB 3.37Å; W138-S142 PolarHBondContact O-N 3.24Å; W138-S142 PolarHBondContact O-OG 2.57Å; W138-P209 HydrophobicContact CZ2-CB 4.35Å; W138-A210 VanDerWaalsContact CZ2-O 3.27Å; W138-A210 WeakPolarHBondContact CZ2-O 3.43Å; W138-A210 PolarHBondContact NE1-O 3.12Å |
| 139 | I | 63 | Low | 54.8 | Low | 75 Ų | 75 | 100.2 Ų | 100.2 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -50.4 | 175 | -67.4 | 164.7 | 0 | 0 | 0 | 109.5 | L135 E136 S141 S142 W143 | L135-I139 HydrophobicContact CD2-CD1 4.36Å; L135-I139 VanDerWaalsContact O-CG1 3.23Å; L135-I139 WeakPolarHBondContact O-CG1 3.12Å; L135-I139 PolarHBondContact O-N 3.02Å; E136-I139 PolarHBondContact O-N 3.49Å; I139-S141 PolarHBondContact O-N 2.74Å; I139-S142 PolarHBondContact O-N 2.96Å; I139-W143 PolarHBondContact O-N 3.49Å; I139-W143 VanDerWaalsContact O-N 3.08Å |
| 140 | K | 64.2 | Low | 54.6 | Low | 121 Ų | 121 | 99.1 Ų | 99.1 | 53% | 0.526 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.1 | -32.9 | 178.3 | -74 | 173.3 | -176.7 | 167.1 | 0 | 113 | E136 E137 | E136-K140 HydrophobicContact CG-CD 4.3Å; E136-K140 WeakPolarHBondContact O-CB 3.28Å; E136-K140 VanDerWaalsContact O-CG 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.37Å; E136-K140 PolarHBondContact O-N 2.74Å; E136-K140 WeakPolarHBondContact OE1-CE 3.19Å; E136-K140 IonicContact OE1-NZ 2.65Å; E136-K140 PolarHBondContact OE1-NZ 3.27Å; E137-K140 PolarHBondContact O-N 2.86Å |
| 141 | S | 61.2 | Low | 54.5 | Low | 90 Ų | 90 | 99.9 Ų | 99.9 | 63% | 0.629 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -86.2 | -32.8 | -179.2 | -57.6 | 0 | 0 | 0 | 0 | 113.2 | E137 W138 I139 | E137-S141 WeakPolarHBondContact O-CB 3.12Å; E137-S141 PolarHBondContact O-N 2.9Å; E137-S141 PolarHBondContact O-OG 2.67Å; W138-S141 PolarHBondContact O-N 2.94Å; I139-S141 PolarHBondContact O-N 2.74Å |
| 142 | S | 59.5 | Low | 54 | Low | 36 Ų | 36 | 103.5 Ų | 103.5 | 25% | 0.252 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -76.7 | -31.5 | -178.3 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | W138 I139 L144 | W138-S142 VanDerWaalsContact CE2-OG 3.32Å; W138-S142 WeakPolarHBondContact O-CB 3.37Å; W138-S142 PolarHBondContact O-N 3.24Å; W138-S142 PolarHBondContact O-OG 2.57Å; I139-S142 PolarHBondContact O-N 2.96Å; S142-L144 PolarHBondContact O-N 3.01Å; S142-L144 VanDerWaalsContact O-N 3.11Å |
| 143 | W | 52.3 | Low | 53.7 | Low | 181 Ų | 181 | 106.5 Ų | 106.5 | 69% | 0.686 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -81.7 | 92.5 | 169.4 | -66.7 | 64.6 | 0 | 0 | 0 | 106.9 | I139 H145 | I139-W143 PolarHBondContact O-N 3.49Å; I139-W143 VanDerWaalsContact O-N 3.08Å; W143-H145 PolarHBondContact O-N 3.26Å |
| 144 | L | 55.9 | Low | 52.8 | Low | 150 Ų | 150 | 107.2 Ų | 107.2 | 79% | 0.785 | 57% | 0.571 | S | S | * | * | | | trans | -53.6 | 96.1 | 156.9 | -75.3 | 166.1 | 0 | 0 | 0 | 106.2 | S142 D146 | S142-L144 PolarHBondContact O-N 3.01Å; S142-L144 VanDerWaalsContact O-N 3.11Å; L144-D146 VanDerWaalsContact C-N 3.34Å; L144-D146 PolarHBondContact O-N 3.04Å |
| 145 | H | 46.5 | Very low | 51.8 | Low | 140 Ų | 140 | 107.9 Ų | 107.9 | 65% | 0.648 | 58% | 0.581 | S | S | * | * | | | trans | -57.2 | 104.7 | 170.6 | -81.4 | -83.2 | 0 | 0 | 0 | 106.1 | W143 S147 | W143-H145 PolarHBondContact O-N 3.26Å; H145-S147 PolarHBondContact O-N 2.97Å |
| 146 | D | 45.8 | Very low | 50.7 | Low | 136 Ų | 136 | 111.7 Ų | 111.7 | 73% | 0.727 | 61% | 0.607 | S | S | * | * | | | trans | -73.2 | 42.3 | 175.7 | -149.4 | 5.3 | 0 | 0 | 0 | 109.8 | L144 S148 | L144-D146 VanDerWaalsContact C-N 3.34Å; L144-D146 PolarHBondContact O-N 3.04Å; D146-S148 PolarHBondContact O-N 2.88Å |
| 147 | S | 43.9 | Very low | 49.7 | Very low | 99 Ų | 99 | 113.9 Ų | 113.9 | 69% | 0.692 | 62% | 0.62 | S | S | * | * | | | trans | -89.4 | 15.3 | -176.2 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | H145 G149 | H145-S147 PolarHBondContact O-N 2.97Å; S147-G149 PolarHBondContact O-N 2.79Å |
| 148 | S | 44.7 | Very low | 48.5 | Very low | 61 Ų | 61 | 112.2 Ų | 112.2 | 43% | 0.427 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -72.7 | 110.7 | 153.9 | 61.4 | 0 | 0 | 0 | 0 | 106.2 | D146 Q150 | D146-S148 PolarHBondContact O-N 2.88Å; S148-Q150 PolarHBondContact O-N 2.97Å; S148-Q150 PolarHBondContact OG-NE2 3.12Å; S148-Q150 VanDerWaalsContact OG-NE2 3.08Å |
| 149 | G | 39.7 | Very low | 47.5 | Very low | 69 Ų | 69 | 117.6 Ų | 117.6 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | | | trans | -57.4 | 73.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S147 E151 | S147-G149 PolarHBondContact O-N 2.79Å; G149-E151 PolarHBondContact O-N 3.18Å |
| 150 | Q | 44.2 | Very low | 46.2 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 48% | 0.477 | 66% | 0.661 | S | S | . | * | | | trans | -75.3 | 75 | 173.5 | -83.5 | -176.9 | 42.7 | 0 | 0 | 107.4 | S148 N152 I153 | S148-Q150 PolarHBondContact O-N 2.97Å; S148-Q150 PolarHBondContact OG-NE2 3.12Å; S148-Q150 VanDerWaalsContact OG-NE2 3.08Å; Q150-N152 PolarHBondContact O-N 3.03Å; Q150-N152 VanDerWaalsContact O-N 3.07Å; Q150-I153 HydrophobicContact CB-CG1 4.18Å |
| 151 | E | 48.2 | Very low | 45.1 | Very low | 169 Ų | 169 | 118.3 Ų | 118.3 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -9.2 | 100.8 | 131.1 | 58.5 | -154.5 | 161.5 | 0 | 0 | 112.1 | G149 I153 | G149-E151 PolarHBondContact O-N 3.18Å; E151-I153 VanDerWaalsContact C-N 3.33Å; E151-I153 PolarHBondContact O-N 3.35Å |
| 152 | N | 43.1 | Very low | 44 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 87% | 0.866 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 24.7 | 63 | 160.5 | -68.6 | -24 | 0 | 0 | 0 | 115.4 | Q150 S154 | Q150-N152 PolarHBondContact O-N 3.03Å; Q150-N152 VanDerWaalsContact O-N 3.07Å; N152-S154 PolarHBondContact O-N 2.92Å |
| 153 | I | 44.1 | Very low | 42.9 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 65% | 0.651 | 71% | 0.71 | S | S | * | * | | | trans | -69.3 | 90.9 | 156.6 | 26.2 | 154.8 | 0 | 0 | 0 | 105.9 | Q150 E151 C155 | Q150-I153 HydrophobicContact CB-CG1 4.18Å; E151-I153 VanDerWaalsContact C-N 3.33Å; E151-I153 PolarHBondContact O-N 3.35Å; I153-C155 PolarHBondContact O-N 3.35Å |
| 154 | S | 40.9 | Very low | 42.2 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | | | trans | -49.5 | 117.1 | 160.6 | 60.9 | 0 | 0 | 0 | 0 | 106.4 | N152 T156 | N152-S154 PolarHBondContact O-N 2.92Å; S154-T156 VanDerWaalsContact C-N 3.3Å; S154-T156 PolarHBondContact O-N 2.76Å |
| 155 | C | 41.5 | Very low | 41 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | | | trans | -60.9 | 100.2 | 170 | -177.1 | 0 | 0 | 0 | 0 | 106.5 | I153 I157 | I153-C155 PolarHBondContact O-N 3.35Å; C155-I157 PolarHBondContact O-N 3.41Å |
| 156 | T | 38 | Very low | 40.5 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 76% | 0.761 | 71% | 0.712 | S | S | * | * | | | trans | -69.3 | 88.9 | 164.6 | -43.3 | 0 | 0 | 0 | 0 | 105 | S154 P158 | S154-T156 VanDerWaalsContact C-N 3.3Å; S154-T156 PolarHBondContact O-N 2.76Å; T156-P158 VanDerWaalsContact O-CD 3.22Å; T156-P158 WeakPolarHBondContact O-CD 3.39Å; T156-P158 VanDerWaalsContact O-N 3.1Å |
| 157 | I | 41.1 | Very low | 39.9 | Very low | 128 Ų | 128 | 124.5 Ų | 124.5 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | | | trans | -59.9 | 115.7 | 170.6 | -60.7 | 172.8 | 0 | 0 | 0 | 104.4 | C155 E159 | C155-I157 PolarHBondContact O-N 3.41Å; I157-E159 PolarHBondContact O-N 3.04Å; I157-E159 VanDerWaalsContact O-N 3.14Å |
| 158 | P | 38.6 | Very low | 39.6 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | | | trans | -56.1 | 126.9 | 173.4 | 22.3 | -29.8 | 0 | 0 | 0 | 106.7 | T156 S160 | T156-P158 VanDerWaalsContact O-CD 3.22Å; T156-P158 WeakPolarHBondContact O-CD 3.39Å; T156-P158 VanDerWaalsContact O-N 3.1Å; P158-S160 PolarHBondContact O-N 3.08Å |
| 159 | E | 41.2 | Very low | 38.9 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | | | trans | -56.6 | 87.3 | 170.6 | -74 | -179 | 163.4 | 0 | 0 | 107.5 | I157 S161 | I157-E159 PolarHBondContact O-N 3.04Å; I157-E159 VanDerWaalsContact O-N 3.14Å; E159-S161 PolarHBondContact O-N 3.02Å |
| 160 | S | 36.4 | Very low | 38.9 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | | | trans | -65.4 | 125.1 | 167.8 | 54.2 | 0 | 0 | 0 | 0 | 104.8 | P158 Y162 | P158-S160 PolarHBondContact O-N 3.08Å; S160-Y162 PolarHBondContact O-N 2.76Å |
| 161 | S | 41 | Very low | 38.4 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | | | trans | -69.4 | 40.1 | 179.3 | -46.7 | 0 | 0 | 0 | 0 | 112.2 | E159 N163 | E159-S161 PolarHBondContact O-N 3.02Å; S161-N163 PolarHBondContact O-N 3.02Å |
| 162 | Y | 38 | Very low | 37.8 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | | | trans | -72.7 | 82.4 | 168.9 | -107.9 | -94.3 | 0 | 0 | 0 | 108.1 | S160 M164 | S160-Y162 PolarHBondContact O-N 2.76Å; Y162-M164 HydrophobicContact CD1-SD 4.32Å; Y162-M164 PolarHBondContact O-N 2.91Å |
| 163 | N | 35 | Very low | 37.1 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | | | trans | -63.4 | 73.4 | 165.2 | -171.3 | -5.1 | 0 | 0 | 0 | 108.8 | S161 | S161-N163 PolarHBondContact O-N 3.02Š|
| 164 | M | 39.7 | Very low | 36.8 | Very low | 158 Ų | 158 | 137 Ų | 137 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | | | trans | -98.7 | 92.2 | 163.1 | -104.5 | 166 | 151.6 | 0 | 0 | 106.1 | Y162 N166 | Y162-M164 HydrophobicContact CD1-SD 4.32Å; Y162-M164 PolarHBondContact O-N 2.91Å; M164-N166 VanDerWaalsContact C-N 3.35Å; M164-N166 PolarHBondContact O-N 3.09Å |
| 165 | G | 30.3 | Very low | 36.4 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | trans | -54.1 | 99.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 166 | N | 35.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | | | trans | -146.9 | 110.7 | 158.6 | -157.7 | 8.6 | 0 | 0 | 0 | 108.5 | M164 F168 | M164-N166 VanDerWaalsContact C-N 3.35Å; M164-N166 PolarHBondContact O-N 3.09Å; N166-F168 PolarHBondContact O-N 3.49Å |
| 167 | N | 33.5 | Very low | 35.8 | Very low | 162 Ų | 162 | 141 Ų | 141 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | | | trans | -71.7 | 48.1 | -173.8 | -68.9 | -61.9 | 0 | 0 | 0 | 113.1 | Q169 | N167-Q169 VanDerWaalsContact C-N 3.3Å; N167-Q169 PolarHBondContact O-N 2.71Å; N167-Q169 VanDerWaalsContact O-N 3.1Å |
| 168 | F | 37.1 | Very low | 35.3 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | | | trans | -84 | 85.9 | 166.1 | -80.7 | -85.2 | 0 | 0 | 0 | 108.3 | N166 I170 | N166-F168 PolarHBondContact O-N 3.49Å; F168-I170 HydrophobicContact CB-CG1 4.42Å; F168-I170 PolarHBondContact O-N 3.2Å |
| 169 | Q | 30.4 | Very low | 35 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -57.2 | 76.5 | 156.6 | -80 | 177 | -8.8 | 0 | 0 | 108.9 | N167 Q171 | N167-Q169 VanDerWaalsContact C-N 3.3Å; N167-Q169 PolarHBondContact O-N 2.71Å; N167-Q169 VanDerWaalsContact O-N 3.1Å; Q169-Q171 PolarHBondContact O-N 3.2Å; Q169-Q171 VanDerWaalsContact O-N 3.1Å |
| 170 | I | 39.4 | Very low | 34.3 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | | | trans | -77.1 | 95.7 | 157.2 | -54.8 | 175 | 0 | 0 | 0 | 103.2 | F168 N172 | F168-I170 HydrophobicContact CB-CG1 4.42Å; F168-I170 PolarHBondContact O-N 3.2Å; I170-N172 PolarHBondContact O-N 2.83Å |
| 171 | Q | 33.5 | Very low | 34 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | | | trans | -45.8 | 116.7 | 170.9 | -76.7 | 176.8 | -35.8 | 0 | 0 | 107.9 | Q169 N173 | Q169-Q171 PolarHBondContact O-N 3.2Å; Q169-Q171 VanDerWaalsContact O-N 3.1Å; Q171-N173 PolarHBondContact O-N 3.2Å |
| 172 | N | 35.1 | Very low | 33.5 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | trans | -57.8 | 82.9 | 165.3 | -74.6 | -29.3 | 0 | 0 | 0 | 108 | I170 P174 | I170-N172 PolarHBondContact O-N 2.83Å; N172-P174 VanDerWaalsContact O-CD 3.28Å; N172-P174 WeakPolarHBondContact O-CD 3.27Å |
| 173 | N | 28.9 | Very low | 33.5 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | -92.6 | 105.1 | 154.6 | -122.3 | -29.6 | 0 | 0 | 0 | 104.7 | Q171 S175 | Q171-N173 PolarHBondContact O-N 3.2Å; N173-S175 PolarHBondContact O-N 3.23Å |
| 174 | P | 37.7 | Very low | 33.4 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | trans | -64.1 | 87.6 | 166.1 | 27.4 | -30.9 | 0 | 0 | 0 | 106.4 | N172 T176 | N172-P174 VanDerWaalsContact O-CD 3.28Å; N172-P174 WeakPolarHBondContact O-CD 3.27Å; P174-T176 PolarHBondContact O-N 2.84Å; P174-T176 PolarHBondContact O-OG1 2.76Å |
| 175 | S | 32.5 | Very low | 33.1 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -62.1 | 94.4 | 161.9 | 40.6 | 0 | 0 | 0 | 0 | 105.2 | N173 Y177 | N173-S175 PolarHBondContact O-N 3.23Å; S175-Y177 PolarHBondContact O-N 3.22Å |
| 176 | T | 35.3 | Very low | 33.2 | Very low | 113 Ų | 113 | 145 Ų | 145 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | | | trans | -64 | 90.2 | 171.2 | -48.1 | 0 | 0 | 0 | 0 | 104.7 | P174 T178 | P174-T176 PolarHBondContact O-N 2.84Å; P174-T176 PolarHBondContact O-OG1 2.76Å; T176-T178 PolarHBondContact O-N 2.81Å; T176-T178 PolarHBondContact O-OG1 2.81Å |
| 177 | Y | 31.6 | Very low | 33.1 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | | | trans | -70.1 | 89.5 | 177.2 | -163.7 | -97.3 | 0 | 0 | 0 | 106.1 | S175 F179 | S175-Y177 PolarHBondContact O-N 3.22Å; Y177-F179 HydrophobicContact CD1-CD2 4.13Å; Y177-F179 AromaticContact CD1-CE2 3.77Å; Y177-F179 HydrophobicContact CD1-CE2 3.77Å; Y177-F179 HydrophobicContact CD1-CZ 4.21Å; Y177-F179 HydrophobicContact CE1-CD2 4.44Å; Y177-F179 HydrophobicContact CE1-CE1 4.34Å; Y177-F179 AromaticContact CE1-CE2 3.93Å; Y177-F179 HydrophobicContact CE1-CE2 3.93Å; Y177-F179 AromaticContact CE1-CZ 3.88Å; Y177-F179 HydrophobicContact CE1-CZ 3.88Å; Y177-F179 PolarHBondContact O-N 3.34Å |
| 178 | T | 31.5 | Very low | 33.1 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | | | trans | -82.6 | 108.1 | -173.8 | -37.1 | 0 | 0 | 0 | 0 | 105.6 | T176 E180 | T176-T178 PolarHBondContact O-N 2.81Å; T176-T178 PolarHBondContact O-OG1 2.81Å; T178-E180 PolarHBondContact O-N 2.73Å |
| 179 | F | 31.3 | Very low | 33.2 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | | | trans | -66.5 | 103 | 165 | -82 | -88.6 | 0 | 0 | 0 | 107.1 | Y177 S181 | Y177-F179 HydrophobicContact CD1-CD2 4.13Å; Y177-F179 AromaticContact CD1-CE2 3.77Å; Y177-F179 HydrophobicContact CD1-CE2 3.77Å; Y177-F179 HydrophobicContact CD1-CZ 4.21Å; Y177-F179 HydrophobicContact CE1-CD2 4.44Å; Y177-F179 HydrophobicContact CE1-CE1 4.34Å; Y177-F179 AromaticContact CE1-CE2 3.93Å; Y177-F179 HydrophobicContact CE1-CE2 3.93Å; Y177-F179 AromaticContact CE1-CZ 3.88Å; Y177-F179 HydrophobicContact CE1-CZ 3.88Å; Y177-F179 PolarHBondContact O-N 3.34Å; F179-S181 PolarHBondContact O-N 2.93Å |
| 180 | E | 26.5 | Very low | 33.2 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | | | trans | -72.4 | 71.8 | 168.9 | -157.3 | 179.8 | -152.7 | 0 | 0 | 107.7 | T178 K182 | T178-E180 PolarHBondContact O-N 2.73Å; E180-K182 VanDerWaalsContact C-N 3.28Å; E180-K182 PolarHBondContact O-N 2.95Å |
| 181 | S | 29.5 | Very low | 32.8 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | | | trans | -73.1 | 91.1 | 167.7 | 177.4 | 0 | 0 | 0 | 0 | 107.5 | F179 D183 | F179-S181 PolarHBondContact O-N 2.93Å; S181-D183 VanDerWaalsContact C-N 3.26Å; S181-D183 PolarHBondContact O-N 2.81Å |
| 182 | K | 32 | Very low | 32.9 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 70% | 0.7 | 75% | 0.752 | S | S | * | * | | | trans | -65.9 | 94.9 | 156.9 | -68.5 | -179.2 | -179 | 175.6 | 0 | 105.7 | E180 | E180-K182 VanDerWaalsContact C-N 3.28Å; E180-K182 PolarHBondContact O-N 2.95Å |
| 183 | D | 36.1 | Very low | 32.9 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 175.3 | 102.2 | 140.6 | -80.2 | -25.6 | 0 | 0 | 0 | 111.1 | S181 N185 | S181-D183 VanDerWaalsContact C-N 3.26Å; S181-D183 PolarHBondContact O-N 2.81Å; D183-N185 PolarHBondContact O-N 3Å; D183-N185 VanDerWaalsContact O-N 3.16Å |
| 184 | L | 34.5 | Very low | 33.5 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | 4.6 | 90 | 148.4 | -71.4 | 139.4 | 0 | 0 | 0 | 117 | | |
| 185 | N | 31.8 | Very low | 33.6 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | | | trans | -156.6 | 79.7 | 140.7 | -92 | -44.1 | 0 | 0 | 0 | 108.5 | D183 V187 | D183-N185 PolarHBondContact O-N 3Å; D183-N185 VanDerWaalsContact O-N 3.16Å; N185-V187 VanDerWaalsContact C-N 3.28Å; N185-V187 PolarHBondContact O-N 3.42Å |
| 186 | T | 33.4 | Very low | 34 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | -68.6 | 89.8 | 171.7 | -43.2 | 0 | 0 | 0 | 0 | 108.1 | V188 | T186-V188 PolarHBondContact O-N 3.2Š|
| 187 | V | 32.8 | Very low | 34 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | | | trans | -65.9 | 103.8 | 171.9 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | N185 V189 | N185-V187 VanDerWaalsContact C-N 3.28Å; N185-V187 PolarHBondContact O-N 3.42Å; V187-V189 VanDerWaalsContact C-N 3.29Å; V187-V189 HydrophobicContact CG1-CG2 3.96Å; V187-V189 PolarHBondContact O-N 3.05Å |
| 188 | V | 34.7 | Very low | 34.6 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | | | trans | -70.8 | 90.7 | 170.1 | -179.3 | 0 | 0 | 0 | 0 | 106.9 | T186 G190 | T186-V188 PolarHBondContact O-N 3.2Å; V188-G190 PolarHBondContact O-N 2.73Å |
| 189 | V | 39.3 | Very low | 35.2 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | -69.1 | 104.2 | 175 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | V187 R191 | V187-V189 VanDerWaalsContact C-N 3.29Å; V187-V189 HydrophobicContact CG1-CG2 3.96Å; V187-V189 PolarHBondContact O-N 3.05Å; V189-R191 PolarHBondContact O-N 2.83Å |
| 190 | G | 29.8 | Very low | 35.8 | Very low | 53 Ų | 53 | 147.5 Ų | 147.5 | 55% | 0.546 | 77% | 0.772 | S | S | . | * | | | trans | -57.7 | 126.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V188 N192 | V188-G190 PolarHBondContact O-N 2.73Å; G190-N192 VanDerWaalsContact C-N 3.34Å; G190-N192 PolarHBondContact O-N 2.78Å |
| 191 | R | 31.3 | Very low | 36.9 | Very low | 242 Ų | 242 | 146.5 Ų | 146.5 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | | | trans | -57 | 91.6 | 171.3 | -95 | 174.6 | 148.7 | 161.3 | -5.6 | 109.9 | V189 Q193 | V189-R191 PolarHBondContact O-N 2.83Å; R191-Q193 PolarHBondContact O-N 3.12Å |
| 192 | N | 34.7 | Very low | 37.6 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -73.3 | 118.4 | 165.6 | -83.2 | -30.4 | 0 | 0 | 0 | 108.2 | G190 H194 | G190-N192 VanDerWaalsContact C-N 3.34Å; G190-N192 PolarHBondContact O-N 2.78Å; N192-H194 PolarHBondContact O-N 2.75Å |
| 193 | Q | 36 | Very low | 38.3 | Very low | 189 Ų | 189 | 149.8 Ų | 149.8 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -54.3 | 121.4 | -179.1 | -63.8 | -172.4 | -2.9 | 0 | 0 | 109.7 | R191 S195 | R191-Q193 PolarHBondContact O-N 3.12Å; Q193-S195 PolarHBondContact O-N 2.98Å |
| 194 | H | 41.1 | Very low | 39 | Very low | 165 Ų | 165 | 154 Ų | 154 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | trans | -58.2 | 103 | -176.5 | -54.2 | -75.5 | 0 | 0 | 0 | 109.9 | N192 N196 | N192-H194 PolarHBondContact O-N 2.75Å; H194-N196 PolarHBondContact O-N 2.8Å; H194-N196 VanDerWaalsContact O-N 3.17Å |
| 195 | S | 40.4 | Very low | 39.7 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -62.6 | 117.1 | 164 | 113.2 | 0 | 0 | 0 | 0 | 106 | Q193 R197 | Q193-S195 PolarHBondContact O-N 2.98Å; S195-R197 PolarHBondContact O-N 2.76Å |
| 196 | N | 41.4 | Very low | 41.2 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | -66.8 | 52.3 | 176.2 | -77.8 | -47.5 | 0 | 0 | 0 | 112 | H194 P198 | H194-N196 PolarHBondContact O-N 2.8Å; H194-N196 VanDerWaalsContact O-N 3.17Å; N196-P198 WeakPolarHBondContact O-CD 3.21Å |
| 197 | R | 34.9 | Very low | 42.9 | Very low | 216 Ų | 216 | 150.9 Ų | 150.9 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | trans | -75.4 | 123.3 | 171.5 | -162 | 171.7 | -169.1 | 169.6 | 2.3 | 106.9 | S195 N199 | S195-R197 PolarHBondContact O-N 2.76Å; R197-N199 PolarHBondContact O-N 2.83Å; R197-N199 VanDerWaalsContact O-N 3.13Å |
| 198 | P | 43 | Very low | 44.5 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | trans | -55.2 | 125.8 | 179.1 | 19.7 | -30.3 | 0 | 0 | 0 | 108.6 | N196 K200 | N196-P198 WeakPolarHBondContact O-CD 3.21Å; P198-K200 PolarHBondContact O-N 2.97Å |
| 199 | N | 45.4 | Very low | 46 | Very low | 148 Ų | 148 | 148.1 Ų | 148.1 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | -59.5 | 82.3 | 177.1 | -162.9 | -14.4 | 0 | 0 | 0 | 107.6 | R197 Q201 | R197-N199 PolarHBondContact O-N 2.83Å; R197-N199 VanDerWaalsContact O-N 3.13Å; N199-Q201 PolarHBondContact O-N 3.47Å |
| 200 | K | 43.7 | Very low | 47.7 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | | | trans | -65.5 | 92.9 | 161.8 | -77.3 | -167.7 | 178.2 | -173.2 | 0 | 103.2 | P198 C202 | P198-K200 PolarHBondContact O-N 2.97Å; K200-C202 PolarHBondContact O-N 2.96Å |
| 201 | Q | 49.4 | Very low | 49.9 | Very low | 144 Ų | 144 | 148 Ų | 148 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | | | trans | -36.3 | 107.9 | 165.6 | -69.9 | 176.4 | -41.6 | 0 | 0 | 106 | N199 R203 | N199-Q201 PolarHBondContact O-N 3.47Å; Q201-R203 PolarHBondContact O-N 2.9Å |
| 202 | C | 43.4 | Very low | 52 | Low | 122 Ų | 122 | 139.6 Ų | 139.6 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | | | trans | -63 | 84.4 | 167.2 | -82.6 | 0 | 0 | 0 | 0 | 104.4 | K200 R204 | K200-C202 PolarHBondContact O-N 2.96Å; C202-R204 VanDerWaalsContact C-N 3.3Å; C202-R204 PolarHBondContact O-N 2.9Å |
| 203 | R | 46.8 | Very low | 54.1 | Low | 211 Ų | 211 | 135.2 Ų | 135.2 | 80% | 0.796 | 71% | 0.711 | S | S | * | * | | | trans | -58.7 | 109.2 | 165.6 | -70.5 | -141.9 | -179.3 | -143.9 | 2.6 | 103.3 | Q201 S205 | Q201-R203 PolarHBondContact O-N 2.9Å; R203-S205 PolarHBondContact O-N 3.37Å |
| 204 | R | 50.1 | Low | 56.1 | Low | 227 Ų | 227 | 132.2 Ų | 132.2 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | | | trans | -51.8 | 100.3 | 161 | -64.8 | 175.3 | 69 | 172.5 | 3.2 | 103.6 | C202 S206 | C202-R204 VanDerWaalsContact C-N 3.3Å; C202-R204 PolarHBondContact O-N 2.9Å; R204-S206 PolarHBondContact O-N 3.24Å |
| 205 | S | 50.7 | Low | 57.7 | Low | 85 Ų | 85 | 130.9 Ų | 130.9 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | | | trans | -52.6 | 119 | 172.8 | 159.6 | 0 | 0 | 0 | 0 | 104.8 | R203 K207 | R203-S205 PolarHBondContact O-N 3.37Å; S205-K207 PolarHBondContact O-N 3.3Å; S205-K207 VanDerWaalsContact O-N 3.09Å; S205-K207 VanDerWaalsContact OG-CB 3.24Å; S205-K207 WeakPolarHBondContact OG-CB 3.39Å; S205-K207 PolarHBondContact OG-N 3.05Å |
| 206 | S | 63.9 | Low | 59.3 | Low | 125 Ų | 125 | 135.9 Ų | 135.9 | 87% | 0.874 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -68.3 | -1.5 | 175.5 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | R204 P208 | R204-S206 PolarHBondContact O-N 3.24Å; S206-P208 WeakPolarHBondContact O-CD 3.31Å |
| 207 | K | 67.5 | Low | 60.7 | Low | 169 Ų | 169 | 135.5 Ų | 135.5 | 74% | 0.735 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -74.8 | 118.4 | 175.7 | -131.4 | 165.9 | -173.4 | 174.8 | 0 | 107.7 | S205 | S205-K207 PolarHBondContact O-N 3.3Å; S205-K207 VanDerWaalsContact O-N 3.09Å; S205-K207 VanDerWaalsContact OG-CB 3.24Å; S205-K207 WeakPolarHBondContact OG-CB 3.39Å; S205-K207 PolarHBondContact OG-N 3.05Å |
| 208 | P | 67.7 | Low | 62.4 | Low | 105 Ų | 105 | 131 Ų | 131 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 154.5 | 171.6 | 26.1 | -33.4 | 0 | 0 | 0 | 109.3 | S206 A210 | S206-P208 WeakPolarHBondContact O-CD 3.31Å; P208-A210 PolarHBondContact O-N 3Å |
| 209 | P | 66.2 | Low | 63.3 | Low | 82 Ų | 82 | 134.9 Ų | 134.9 | 53% | 0.532 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -51.7 | 144.1 | 173.9 | 20.7 | -30.4 | 0 | 0 | 0 | 110.2 | W138 | W138-P209 HydrophobicContact CZ2-CB 4.35Š|
| 210 | A | 74.1 | Confident | 64 | Low | 66 Ų | 66 | 133.4 Ų | 133.4 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 144.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | W138 P208 | W138-A210 VanDerWaalsContact CZ2-O 3.27Å; W138-A210 WeakPolarHBondContact CZ2-O 3.43Å; W138-A210 PolarHBondContact NE1-O 3.12Å; P208-A210 PolarHBondContact O-N 3Å |
| 211 | P | 76.5 | Confident | 64.2 | Low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 150.3 | 174.9 | 25 | -33.6 | 0 | 0 | 0 | 110.6 | | |
| 212 | P | 76.1 | Confident | 64.5 | Low | 65 Ų | 65 | 127.9 Ų | 127.9 | 42% | 0.422 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 149 | 178 | 25.5 | -33.5 | 0 | 0 | 0 | 110.6 | | |
| 213 | P | 77.7 | Confident | 64.8 | Low | 54 Ų | 54 | 127.6 Ų | 127.6 | 35% | 0.351 | 71% | 0.705 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 151.7 | 175.6 | 25.8 | -32.4 | 0 | 0 | 0 | 111 | F215 | P213-F215 PolarHBondContact O-N 3.15Š|
| 214 | P | 78.3 | Confident | 64.8 | Low | 126 Ų | 126 | 122.9 Ų | 122.9 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -60 | 126.4 | 176 | 22.2 | -30.5 | 0 | 0 | 0 | 110.7 | K216 | P214-K216 PolarHBondContact O-N 3.22Š|
| 215 | F | 73.8 | Confident | 64.7 | Low | 136 Ų | 136 | 118.2 Ų | 118.2 | 60% | 0.596 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 129.1 | 175.8 | -63.3 | -87.4 | 0 | 0 | 0 | 110 | L135 P213 Q217 | L135-F215 HydrophobicContact CD1-CE1 3.77Å; L135-F215 HydrophobicContact CD1-CZ 3.71Å; P213-F215 PolarHBondContact O-N 3.15Å; F215-Q217 PolarHBondContact O-N 2.71Å |
| 216 | K | 75.1 | Confident | 64.5 | Low | 206 Ų | 206 | 119.1 Ų | 119.1 | 90% | 0.896 | 70% | 0.703 | S | S | * | * | | | trans | -80.4 | 98.3 | 170.1 | -67.1 | -178.2 | -177.3 | 175.2 | 0 | 108 | P214 | P214-K216 PolarHBondContact O-N 3.22Š|
| 217 | Q | 70.7 | Confident | 63.9 | Low | 156 Ų | 156 | 117 Ų | 117 | 73% | 0.729 | 69% | 0.688 | S | S | * | * | | | trans | -67.9 | 130.3 | 166.3 | -72.5 | -172.7 | -54.8 | 0 | 0 | 108.8 | F215 F219 | F215-Q217 PolarHBondContact O-N 2.71Å; Q217-F219 PolarHBondContact O-N 3.34Å |
| 218 | P | 70.7 | Confident | 62.9 | Low | 120 Ų | 120 | 116.9 Ų | 116.9 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | | | trans | -65.3 | 117.1 | 168.7 | 26.4 | -30.5 | 0 | 0 | 0 | 107.9 | S220 | P218-S220 PolarHBondContact O-N 2.91Š|
| 219 | F | 62.4 | Low | 61.8 | Low | 187 Ų | 187 | 119.7 Ų | 119.7 | 82% | 0.82 | 70% | 0.703 | S | S | * | * | | | trans | -73.9 | 106.7 | 165.6 | -69.7 | -81.7 | 0 | 0 | 0 | 107.5 | Q217 T221 | Q217-F219 PolarHBondContact O-N 3.34Å; F219-T221 VanDerWaalsContact C-N 3.33Å; F219-T221 PolarHBondContact O-N 3.26Å |
| 220 | S | 58.8 | Low | 60.6 | Low | 117 Ų | 117 | 127.2 Ų | 127.2 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -66.4 | 97.4 | 161.6 | -67.6 | 0 | 0 | 0 | 0 | 107.5 | P218 A222 | P218-S220 PolarHBondContact O-N 2.91Å; S220-A222 VanDerWaalsContact C-N 3.33Å; S220-A222 PolarHBondContact O-N 3.42Å |
| 221 | T | 48.9 | Very low | 59.9 | Low | 116 Ų | 116 | 130.3 Ų | 130.3 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | | | trans | -63.6 | 101.2 | 162.9 | 35.9 | 0 | 0 | 0 | 0 | 107.1 | F219 T223 | F219-T221 VanDerWaalsContact C-N 3.33Å; F219-T221 PolarHBondContact O-N 3.26Å; T221-T223 PolarHBondContact O-N 2.98Å |
| 222 | A | 55.7 | Low | 59 | Low | 99 Ų | 99 | 131.3 Ų | 131.3 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -63.1 | 86.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | S220 S224 | S220-A222 VanDerWaalsContact C-N 3.33Å; S220-A222 PolarHBondContact O-N 3.42Å; A222-S224 VanDerWaalsContact C-N 3.3Å; A222-S224 PolarHBondContact O-N 2.85Å |
| 223 | T | 48.5 | Very low | 58.1 | Low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | | | trans | -65.5 | 99.8 | 163.6 | 44 | 0 | 0 | 0 | 0 | 105.6 | T221 D225 | T221-T223 PolarHBondContact O-N 2.98Å; T223-D225 PolarHBondContact O-N 3.32Å |
| 224 | S | 48 | Very low | 56.9 | Low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 82.8 | 168.6 | -171.6 | 0 | 0 | 0 | 0 | 107.3 | A222 S226 | A222-S224 VanDerWaalsContact C-N 3.3Å; A222-S224 PolarHBondContact O-N 2.85Å; S224-S226 PolarHBondContact O-N 2.82Å |
| 225 | D | 48.3 | Very low | 55.6 | Low | 129 Ų | 129 | 140.6 Ų | 140.6 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | | | trans | -79 | 68 | 172.9 | -155.6 | -13.2 | 0 | 0 | 0 | 107.6 | T223 S227 | T223-D225 PolarHBondContact O-N 3.32Å; D225-S227 PolarHBondContact O-N 3.34Å; D225-S227 PolarHBondContact OD1-OG 2.98Å |
| 226 | S | 46.6 | Very low | 54.4 | Low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | trans | -78.9 | 72.7 | 163.3 | 66.2 | 0 | 0 | 0 | 0 | 107.1 | S224 | S224-S226 PolarHBondContact O-N 2.82Š|
| 227 | S | 49.8 | Very low | 52.9 | Low | 80 Ų | 80 | 136.3 Ų | 136.3 | 56% | 0.559 | 80% | 0.796 | S | S | * | * | | | trans | -61.9 | 137.9 | 163.5 | -78.1 | 0 | 0 | 0 | 0 | 109.2 | D225 I229 | D225-S227 PolarHBondContact O-N 3.34Å; D225-S227 PolarHBondContact OD1-OG 2.98Å; S227-I229 PolarHBondContact O-N 2.72Å |
| 228 | D | 46.2 | Very low | 51.5 | Low | 167 Ų | 167 | 134.8 Ų | 134.8 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | trans | -45.1 | 120.3 | -177.7 | -59.8 | -63.9 | 0 | 0 | 0 | 113.6 | | |
| 229 | I | 45.4 | Very low | 49.9 | Very low | 164 Ų | 164 | 136 Ų | 136 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | | | trans | -113.2 | 100.4 | 161.8 | -59 | 170 | 0 | 0 | 0 | 107 | S227 | S227-I229 PolarHBondContact O-N 2.72Š|
| 230 | L | 40.7 | Very low | 48.8 | Very low | 241 Ų | 241 | 131.4 Ų | 131.4 | 100% | 1.262 | 80% | 0.801 | S | S | * | * | | | trans | 31 | 0 | 151.7 | -74.4 | 159.8 | 0 | 0 | 0 | 119.5 | | |