| 1 | M | 33.4 | Very low | 34.6 | Very low | 229 Ų | 229 | 180.5 Ų | 180.5 | 100% | 1.128 | 86% | 0.86 | S | S | * | * | | | | 0 | 89.2 | 0 | -74 | -83.6 | 138 | 0 | 0 | 108.5 | K3 | M1-K3 PolarHBondContact O-N 3.41Š|
| 2 | P | 37.5 | Very low | 34.1 | Very low | 119 Ų | 119 | 174.8 Ų | 174.8 | 77% | 0.773 | 85% | 0.846 | S | S | * | * | | | trans | -70.1 | 126.4 | 172.3 | 28.2 | -27.4 | 0 | 0 | 0 | 108.5 | H4 | P2-H4 PolarHBondContact O-N 3.37Š|
| 3 | K | 40.6 | Very low | 33.9 | Very low | 200 Ų | 200 | 172.5 Ų | 172.5 | 87% | 0.87 | 84% | 0.839 | S | S | * | * | | | trans | -60.6 | 127.7 | 178.8 | -68.9 | 174.1 | 176.9 | 177.5 | 0 | 108.7 | M1 Q5 | M1-K3 PolarHBondContact O-N 3.41Å; K3-Q5 PolarHBondContact O-N 2.92Å |
| 4 | H | 39.4 | Very low | 33.2 | Very low | 187 Ų | 187 | 165.4 Ų | 165.4 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | -53.6 | 102.5 | 166.2 | -103 | -89.1 | 0 | 0 | 0 | 108.6 | P2 T6 | P2-H4 PolarHBondContact O-N 3.37Å; H4-T6 PolarHBondContact O-N 2.99Å; H4-T6 VanDerWaalsContact O-N 3.12Å |
| 5 | Q | 36.9 | Very low | 33.2 | Very low | 182 Ų | 182 | 166.1 Ų | 166.1 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | | | trans | -72.3 | 101.7 | 164.9 | -111.7 | 175.7 | -4.8 | 0 | 0 | 106.5 | K3 V7 | K3-Q5 PolarHBondContact O-N 2.92Å; Q5-V7 PolarHBondContact O-N 3.21Å; Q5-V7 VanDerWaalsContact O-N 3.07Å |
| 6 | T | 36.7 | Very low | 32.8 | Very low | 123 Ų | 123 | 159.9 Ų | 159.9 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -62.3 | 106.9 | 167.9 | 28.3 | 0 | 0 | 0 | 0 | 108.1 | H4 C8 | H4-T6 PolarHBondContact O-N 2.99Å; H4-T6 VanDerWaalsContact O-N 3.12Å; T6-C8 VanDerWaalsContact C-N 3.31Å; T6-C8 PolarHBondContact O-N 3.13Å |
| 7 | V | 33.6 | Very low | 32.4 | Very low | 133 Ų | 133 | 158.3 Ų | 158.3 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | -65 | 95.2 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | Q5 R9 | Q5-V7 PolarHBondContact O-N 3.21Å; Q5-V7 VanDerWaalsContact O-N 3.07Å; V7-R9 PolarHBondContact O-N 2.9Å |
| 8 | C | 33.9 | Very low | 32.4 | Very low | 116 Ų | 116 | 155.9 Ų | 155.9 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | trans | -63.7 | 99.6 | 170.7 | -88.6 | 0 | 0 | 0 | 0 | 108.9 | T6 R10 | T6-C8 VanDerWaalsContact C-N 3.31Å; T6-C8 PolarHBondContact O-N 3.13Å; C8-R10 VanDerWaalsContact C-N 3.34Å; C8-R10 PolarHBondContact O-N 3.41Å |
| 9 | R | 26.7 | Very low | 32.3 | Very low | 229 Ų | 229 | 153.3 Ų | 153.3 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -60.8 | 95.8 | 166.4 | -90 | -178.7 | 170.5 | 156.7 | -2.7 | 108.9 | V7 R11 | V7-R9 PolarHBondContact O-N 2.9Å; R9-R11 PolarHBondContact O-N 3.05Å |
| 10 | R | 32.3 | Very low | 32.3 | Very low | 226 Ų | 226 | 153.2 Ų | 153.2 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | -70.7 | 113.1 | 173.7 | -156.5 | 171.5 | 178.6 | 172.4 | -1.7 | 107.5 | C8 T12 | C8-R10 VanDerWaalsContact C-N 3.34Å; C8-R10 PolarHBondContact O-N 3.41Å; R10-T12 PolarHBondContact O-N 3.46Å |
| 11 | R | 29.1 | Very low | 32.2 | Very low | 242 Ų | 242 | 150.9 Ų | 150.9 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | | | trans | -69.4 | 91.1 | 174.1 | -64.7 | 178.7 | -179.3 | 134.4 | -0.8 | 108.4 | R9 | R9-R11 PolarHBondContact O-N 3.05Š|
| 12 | T | 29.2 | Very low | 31.9 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | | | trans | -85.1 | 111 | 167.7 | 38.5 | 0 | 0 | 0 | 0 | 108.2 | R10 S14 | R10-T12 PolarHBondContact O-N 3.46Å; T12-S14 VanDerWaalsContact C-N 3.35Å; T12-S14 PolarHBondContact O-N 3.42Å |
| 13 | L | 31 | Very low | 31.4 | Very low | 144 Ų | 144 | 154.4 Ų | 154.4 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | trans | -68.6 | 98 | 164.7 | -68.9 | 167.7 | 0 | 0 | 0 | 106.6 | F15 | L13-F15 PolarHBondContact O-N 3.32Š|
| 14 | S | 24.8 | Very low | 31 | Very low | 74 Ų | 74 | 151.2 Ų | 151.2 | 52% | 0.517 | 75% | 0.749 | S | S | . | * | | | trans | -70.5 | 120.8 | 170.6 | -180 | 0 | 0 | 0 | 0 | 108.4 | T12 A16 | T12-S14 VanDerWaalsContact C-N 3.35Å; T12-S14 PolarHBondContact O-N 3.42Å; S14-A16 PolarHBondContact O-N 3.27Å |
| 15 | F | 32.1 | Very low | 30.5 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 77% | 0.768 | 75% | 0.749 | S | S | * | * | | | trans | -74.6 | 73 | 167.4 | -63.5 | -86.5 | 0 | 0 | 0 | 108.1 | L13 D17 I18 | L13-F15 PolarHBondContact O-N 3.32Å; F15-D17 PolarHBondContact O-N 3.4Å; F15-I18 HydrophobicContact CD1-CD1 4.45Å |
| 16 | A | 27.7 | Very low | 30.1 | Very low | 68 Ų | 68 | 152.6 Ų | 152.6 | 56% | 0.562 | 75% | 0.751 | S | S | * | * | | | trans | -65.1 | 103.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | S14 | S14-A16 PolarHBondContact O-N 3.27Š|
| 17 | D | 26.5 | Very low | 29.7 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 60.4 | 64.4 | 155.9 | -54.4 | -33.4 | 0 | 0 | 0 | 117.8 | F15 T19 | F15-D17 PolarHBondContact O-N 3.4Å; D17-T19 PolarHBondContact O-N 3.35Å |
| 18 | I | 31.3 | Very low | 29.3 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 60% | 0.595 | 75% | 0.75 | S | S | * | * | | | trans | -87.9 | 59.8 | 146.7 | -44.2 | 174.6 | 0 | 0 | 0 | 108 | F15 E20 C21 | F15-I18 HydrophobicContact CD1-CD1 4.45Å; I18-E20 VanDerWaalsContact C-N 3.27Å; I18-C21 HydrophobicContact CG2-CB 4.07Å; I18-C21 VanDerWaalsContact CG2-SG 3.56Å |
| 19 | T | 31.8 | Very low | 29 | Very low | 105 Ų | 105 | 155 Ų | 155 | 64% | 0.644 | 75% | 0.75 | S | S | * | * | | | trans | -77.9 | -11.6 | 171.8 | 35.1 | 0 | 0 | 0 | 0 | 112.6 | D17 | D17-T19 PolarHBondContact O-N 3.35Š|
| 20 | E | 30.6 | Very low | 29.2 | Very low | 152 Ų | 152 | 151 Ų | 151 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -80.8 | -23.2 | -178.1 | -80.8 | -169.1 | 151.6 | 0 | 0 | 115.4 | I18 R22 | I18-E20 VanDerWaalsContact C-N 3.27Å; E20-R22 VanDerWaalsContact C-N 3.26Å; E20-R22 PolarHBondContact O-N 3.19Å |
| 21 | C | 30.3 | Very low | 29.1 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -75.5 | -11.2 | -178.3 | -66.4 | 0 | 0 | 0 | 0 | 114.2 | I18 | I18-C21 HydrophobicContact CG2-CB 4.07Å; I18-C21 VanDerWaalsContact CG2-SG 3.56Å |
| 22 | R | 27.6 | Very low | 29.3 | Very low | 242 Ų | 242 | 144.7 Ų | 144.7 | 91% | 0.913 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -96.6 | -0.5 | -172 | -126.8 | 178.9 | -171.6 | 165.6 | 2.8 | 115.9 | E20 | E20-R22 VanDerWaalsContact C-N 3.26Å; E20-R22 PolarHBondContact O-N 3.19Å |
| 23 | K | 28.3 | Very low | 29.7 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -117.5 | 0.4 | -174.6 | -96.3 | -176.3 | 178.1 | -179.5 | 0 | 117.6 | N25 | K23-N25 VanDerWaalsContact C-N 3.31Å; K23-N25 PolarHBondContact O-N 2.73Å |
| 24 | I | 30.4 | Very low | 29.7 | Very low | 133 Ų | 133 | 149.2 Ų | 149.2 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -77.6 | -15.3 | -177.2 | -40.3 | 177.9 | 0 | 0 | 0 | 112.8 | R26 | I24-R26 VanDerWaalsContact C-N 3.34Å; I24-R26 PolarHBondContact O-N 3.42Å |
| 25 | N | 29.4 | Very low | 30.4 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -86.4 | 11.9 | -179.9 | -76.5 | -6.7 | 0 | 0 | 0 | 115.3 | K23 | K23-N25 VanDerWaalsContact C-N 3.31Å; K23-N25 PolarHBondContact O-N 2.73Å |
| 26 | R | 28.6 | Very low | 30.7 | Very low | 233 Ų | 233 | 148.3 Ų | 148.3 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -134.5 | 23 | -176.2 | -87.6 | -168.4 | 178.4 | 157.5 | 0.1 | 116.7 | I24 | I24-R26 VanDerWaalsContact C-N 3.34Å; I24-R26 PolarHBondContact O-N 3.42Å |
| 27 | T | 27.9 | Very low | 31 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | -111.5 | 99 | 164.6 | 31 | 0 | 0 | 0 | 0 | 109.6 | | |
| 28 | N | 25.6 | Very low | 31.6 | Very low | 146 Ų | 146 | 146.5 Ų | 146.5 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | | | trans | -42.7 | 137.7 | 159 | -83.7 | -44 | 0 | 0 | 0 | 111.1 | | |
| 29 | L | 28.8 | Very low | 31.8 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 47.1 | 131.4 | 141.2 | -94.7 | 88 | 0 | 0 | 0 | 119.9 | | |
| 30 | N | 30.9 | Very low | 31.9 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | | | trans | 79 | 87.9 | 143.5 | -123.5 | 21.6 | 0 | 0 | 0 | 116.7 | | |
| 31 | E | 29.3 | Very low | 32.1 | Very low | 178 Ų | 178 | 149 Ų | 149 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | | 169.7 | 142.8 | 117.2 | -93.8 | 177.8 | 166.8 | 0 | 0 | 109.3 | H33 | E31-H33 PolarHBondContact O-N 3.14Š|
| 32 | N | 34.3 | Very low | 32.3 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | | | trans | -60.2 | 99.8 | -172.9 | -63.1 | -56.3 | 0 | 0 | 0 | 112.4 | | |
| 33 | H | 36 | Very low | 32.3 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | | | trans | -139.7 | 106.8 | 150.9 | -81.7 | -54.4 | 0 | 0 | 0 | 109.7 | E31 I35 | E31-H33 PolarHBondContact O-N 3.14Å; H33-I35 PolarHBondContact O-N 3.12Å |
| 34 | D | 31.9 | Very low | 32.5 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 93% | 0.93 | 74% | 0.737 | S | S | * | * | | | trans | -57.7 | 92.4 | 169.4 | -71.7 | -48.8 | 0 | 0 | 0 | 110 | D36 | D34-D36 PolarHBondContact O-N 3.35Š|
| 35 | I | 40.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | trans | -80 | 102.5 | 166.6 | -61.3 | 172.8 | 0 | 0 | 0 | 106.7 | H33 S37 | H33-I35 PolarHBondContact O-N 3.12Å; I35-S37 VanDerWaalsContact C-N 3.3Å; I35-S37 PolarHBondContact O-N 2.84Å |
| 36 | D | 36.6 | Very low | 32.5 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 47% | 0.465 | 73% | 0.725 | S | S | . | * | | | trans | -61.7 | 85.2 | 177.7 | -168.7 | 2.6 | 0 | 0 | 0 | 110.7 | D34 S38 K39 | D34-D36 PolarHBondContact O-N 3.35Å; D36-S38 PolarHBondContact O-N 3.31Å; D36-S38 PolarHBondContact OD1-OG 2.99Å; D36-K39 PolarHBondContact O-N 2.79Å; D36-K39 IonicContact OD2-NZ 3.7Å |
| 37 | S | 35.7 | Very low | 32.6 | Very low | 91 Ų | 91 | 141.6 Ų | 141.6 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -58.4 | -15.7 | -177.6 | 45.5 | 0 | 0 | 0 | 0 | 113.9 | I35 | I35-S37 VanDerWaalsContact C-N 3.3Å; I35-S37 PolarHBondContact O-N 2.84Å |
| 38 | S | 37.7 | Very low | 32.5 | Very low | 71 Ų | 71 | 143.1 Ų | 143.1 | 50% | 0.497 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -68.5 | -32.8 | 178 | 73.1 | 0 | 0 | 0 | 0 | 113.5 | D36 | D36-S38 PolarHBondContact O-N 3.31Å; D36-S38 PolarHBondContact OD1-OG 2.99Å |
| 39 | K | 36 | Very low | 32.6 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 67% | 0.665 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -81.3 | -29.4 | -176.6 | -77.8 | 175 | -177.2 | 160.9 | 0 | 113.8 | D36 F41 | D36-K39 PolarHBondContact O-N 2.79Å; D36-K39 IonicContact OD2-NZ 3.7Å; K39-F41 VanDerWaalsContact C-N 3.33Å |
| 40 | L | 33.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 60% | 0.597 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -68.6 | -35.4 | 177.9 | -119.2 | 98.9 | 0 | 0 | 0 | 111.6 | V42 R43 | L40-V42 PolarHBondContact O-N 3.14Å; L40-R43 PolarHBondContact O-N 3.13Å |
| 41 | F | 35.1 | Very low | 32.3 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 70% | 0.697 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -65.1 | -34.4 | -176.8 | -107.6 | -86.7 | 0 | 0 | 0 | 113.9 | K39 | K39-F41 VanDerWaalsContact C-N 3.33Å |
| 42 | V | 35.3 | Very low | 32.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 66% | 0.661 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -73.7 | -32.4 | -176.2 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | L40 | L40-V42 PolarHBondContact O-N 3.14Å |
| 43 | R | 28.2 | Very low | 31.6 | Very low | 229 Ų | 229 | 137 Ų | 137 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -78.2 | -26.6 | -174.4 | -140.1 | 174.1 | -174.5 | 152.2 | 0.4 | 113.2 | L40 M45 | L40-R43 PolarHBondContact O-N 3.13Å; R43-M45 VanDerWaalsContact C-N 3.33Å |
| 44 | S | 30.9 | Very low | 31.2 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -8.5 | 179 | 91.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 45 | M | 28.4 | Very low | 31.1 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 73% | 0.729 | 69% | 0.692 | S | S | * | * | | | trans | -93.8 | -13.8 | -172.1 | -138.6 | 176.1 | 54.1 | 0 | 0 | 113.7 | R43 R47 | R43-M45 VanDerWaalsContact C-N 3.33Å; M45-R47 PolarHBondContact O-N 3.18Å |
| 46 | V | 32.1 | Very low | 30.5 | Very low | 96 Ų | 96 | 134 Ų | 134 | 58% | 0.582 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -74 | 84.8 | 170.3 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | H48 | V46-H48 PolarHBondContact O-CD2 3.45Å; V46-H48 PolarHBondContact O-N 3.5Å |
| 47 | R | 30.6 | Very low | 30.1 | Very low | 222 Ų | 222 | 140 Ų | 140 | 84% | 0.838 | 71% | 0.705 | S | S | * | * | | | trans | -65.6 | 102.2 | 176.2 | -73.7 | -178.8 | 174.1 | 173.1 | -0.8 | 109.4 | M45 | M45-R47 PolarHBondContact O-N 3.18Š|
| 48 | H | 26.6 | Very low | 29.6 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | | | trans | -85 | 120.1 | 160.8 | -65.6 | -75.9 | 0 | 0 | 0 | 108.1 | V46 S50 | V46-H48 PolarHBondContact O-CD2 3.45Å; V46-H48 PolarHBondContact O-N 3.5Å; H48-S50 PolarHBondContact O-N 3.42Å; H48-S50 VanDerWaalsContact O-N 3.17Å |
| 49 | P | 27.3 | Very low | 29.1 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 69% | 0.688 | 72% | 0.724 | S | S | * | * | | | trans | -66.3 | 115.2 | 171.7 | 25.9 | -30.7 | 0 | 0 | 0 | 109.2 | | |
| 50 | S | 24.4 | Very low | 28.6 | Very low | 93 Ų | 93 | 145 Ų | 145 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | trans | -97.1 | 135 | 167.8 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | H48 | H48-S50 PolarHBondContact O-N 3.42Å; H48-S50 VanDerWaalsContact O-N 3.17Å |
| 51 | F | 27.9 | Very low | 28.5 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | trans | -90.8 | 124.8 | 178.6 | -55.5 | -89.6 | 0 | 0 | 0 | 109.7 | | |
| 52 | T | 25.2 | Very low | 28 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | | | trans | -114.4 | 114.9 | 161.6 | 37.2 | 0 | 0 | 0 | 0 | 108.5 | L54 | T52-L54 PolarHBondContact O-N 3.42Š|
| 53 | L | 24.5 | Very low | 27.4 | Very low | 159 Ų | 159 | 150 Ų | 150 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -68.5 | 108.5 | 164.2 | -81.4 | 158.2 | 0 | 0 | 0 | 106.7 | | |
| 54 | L | 27.7 | Very low | 27.3 | Very low | 140 Ų | 140 | 147 Ų | 147 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -105.8 | 95.1 | 169.3 | -159.8 | 68.5 | 0 | 0 | 0 | 107.9 | T52 D56 | T52-L54 PolarHBondContact O-N 3.42Å; L54-D56 WeakPolarHBondContact CD2-OD2 3.31Å; L54-D56 WeakPolarHBondContact CG-OD2 3.39Å; L54-D56 PolarHBondContact O-N 3.24Å |
| 55 | E | 30.2 | Very low | 27 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -78.9 | 87.7 | 164.6 | -73.5 | -177.1 | 167.6 | 0 | 0 | 108.3 | | |
| 56 | D | 27.6 | Very low | 26.6 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | trans | -110.9 | 80.5 | 166.9 | -75.4 | -30.6 | 0 | 0 | 0 | 109.5 | L54 Q58 | L54-D56 WeakPolarHBondContact CD2-OD2 3.31Å; L54-D56 WeakPolarHBondContact CG-OD2 3.39Å; L54-D56 PolarHBondContact O-N 3.24Å; D56-Q58 PolarHBondContact O-N 3.2Å |
| 57 | Y | 28.1 | Very low | 26.2 | Very low | 214 Ų | 214 | 153.2 Ų | 153.2 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -58.7 | 105.9 | 146.7 | -97.2 | -97.2 | 0 | 0 | 0 | 108.2 | | |
| 58 | Q | 25.4 | Very low | 25.8 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -139.1 | 89.3 | 162.2 | -81.7 | -70.9 | -30.4 | 0 | 0 | 109.5 | D56 S60 | D56-Q58 PolarHBondContact O-N 3.2Å; Q58-S60 PolarHBondContact O-N 3.1Å |
| 59 | N | 27 | Very low | 25.6 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | 18.9 | 101.6 | 137.4 | -62.2 | -10.9 | 0 | 0 | 0 | 116.7 | | |
| 60 | S | 26.1 | Very low | 25.3 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -125.6 | 100.1 | 145.1 | 70.3 | 0 | 0 | 0 | 0 | 108.8 | Q58 H62 | Q58-S60 PolarHBondContact O-N 3.1Å; S60-H62 PolarHBondContact O-N 3.44Å |
| 61 | S | 28.9 | Very low | 25.2 | Very low | 112 Ų | 112 | 155.4 Ų | 155.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -52.3 | 105.4 | 169.7 | 45 | 0 | 0 | 0 | 0 | 111.5 | | |
| 62 | H | 26 | Very low | 25 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | | | trans | -130.8 | 98.8 | 149.9 | -106 | -64.8 | 0 | 0 | 0 | 107.9 | S60 L64 | S60-H62 PolarHBondContact O-N 3.44Å; H62-L64 PolarHBondContact O-N 2.87Å |
| 63 | E | 21.7 | Very low | 25 | Very low | 186 Ų | 186 | 154.1 Ų | 154.1 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | | | trans | -54 | 115.7 | 168.7 | -66.9 | 172.5 | 136.9 | 0 | 0 | 110 | | |
| 64 | L | 26 | Very low | 24.9 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | trans | -140.3 | 143.5 | 150.7 | -85.8 | 175.2 | 0 | 0 | 0 | 108.6 | H62 | H62-L64 PolarHBondContact O-N 2.87Š|
| 65 | P | 24.9 | Very low | 24.7 | Very low | 106 Ų | 106 | 153.1 Ų | 153.1 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | | | trans | -85.5 | 153.5 | -133.9 | 31.6 | -35.7 | 0 | 0 | 0 | 113.7 | L67 | P65-L67 PolarHBondContact O-N 3.28Š|
| 66 | F | 21.4 | Very low | 24.6 | Very low | 201 Ų | 201 | 155.2 Ų | 155.2 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | | | trans | -36.8 | 101.5 | 166 | -76.4 | -97.8 | 0 | 0 | 0 | 112.8 | | |
| 67 | L | 22.9 | Very low | 24.4 | Very low | 167 Ų | 167 | 158.6 Ų | 158.6 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | trans | -100.8 | 85.4 | 153.6 | -95.8 | 155.2 | 0 | 0 | 0 | 107 | P65 L69 | P65-L67 PolarHBondContact O-N 3.28Å; L67-L69 PolarHBondContact O-N 3.02Å |
| 68 | T | 23.1 | Very low | 24.3 | Very low | 116 Ų | 116 | 155.6 Ų | 155.6 | 71% | 0.712 | 81% | 0.812 | S | S | * | * | | | trans | -44.6 | 120.4 | 160.5 | 29.7 | 0 | 0 | 0 | 0 | 109.7 | K70 | T68-K70 PolarHBondContact O-N 2.82Š|
| 69 | L | 22.2 | Very low | 24.1 | Very low | 157 Ų | 157 | 153.3 Ų | 153.3 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | -53.2 | 108.1 | 168.6 | -130.7 | 94.7 | 0 | 0 | 0 | 108.4 | L67 | L67-L69 PolarHBondContact O-N 3.02Š|
| 70 | K | 20.4 | Very low | 23.9 | Very low | 197 Ų | 197 | 151.6 Ų | 151.6 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | trans | -125.5 | 126.1 | 156.7 | -103.3 | -166.1 | 173.6 | -174.4 | 0 | 108.2 | T68 | T68-K70 PolarHBondContact O-N 2.82Š|
| 71 | D | 22.4 | Very low | 23.6 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | -54.5 | 130.6 | 179.8 | -59 | -61.4 | 0 | 0 | 0 | 112.5 | | |
| 72 | S | 22.6 | Very low | 23.3 | Very low | 97 Ų | 97 | 153 Ų | 153 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | 175.4 | 101.6 | 143.8 | 49.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 73 | N | 25.3 | Very low | 23.1 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | | | trans | -144.7 | 70.6 | 147.8 | -94.9 | -25.2 | 0 | 0 | 0 | 108.8 | Q75 | N73-Q75 PolarHBondContact O-N 3.29Š|
| 74 | S | 24.1 | Very low | 23 | Very low | 103 Ų | 103 | 149 Ų | 149 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -53.9 | 107 | 142.1 | 51.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 75 | Q | 22.6 | Very low | 22.8 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | 177.8 | 66.9 | 148.5 | -99.5 | 176.8 | 40.8 | 0 | 0 | 109.3 | N73 | N73-Q75 PolarHBondContact O-N 3.29Š|
| 76 | F | 28.4 | Very low | 22.6 | Very low | 213 Ų | 213 | 149.2 Ų | 149.2 | 93% | 0.934 | 78% | 0.782 | S | S | * | * | | | trans | -116.2 | 84.1 | 143.8 | -99.4 | -86.3 | 0 | 0 | 0 | 106.7 | N78 | F76-N78 PolarHBondContact O-N 3.14Š|
| 77 | K | 22.5 | Very low | 22.6 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | -68.2 | 113.1 | 159.3 | -88.6 | -172.6 | 170.5 | -176 | 0 | 106.8 | | |
| 78 | N | 26.6 | Very low | 22.5 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | -150.2 | 97.9 | 139.2 | -95.1 | -14.1 | 0 | 0 | 0 | 107.6 | F76 | F76-N78 PolarHBondContact O-N 3.14Š|
| 79 | T | 21.9 | Very low | 22.7 | Very low | 113 Ų | 113 | 146 Ų | 146 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | | | | 65.9 | 102.8 | 129.2 | -32 | 0 | 0 | 0 | 0 | 118.5 | | |
| 80 | C | 21.6 | Very low | 22.5 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | 53.1 | 128.3 | 133 | -52.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 81 | E | 20.9 | Very low | 23.3 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | cis | -171.3 | 153.4 | 19.4 | -137.2 | 175 | 165.1 | 0 | 0 | 108.3 | | |
| 82 | S | 21.9 | Very low | 23.2 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | | | trans | 29.5 | 113.4 | 148.1 | 51.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 83 | T | 21.1 | Very low | 23.2 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | | 46 | 111.9 | 76.9 | -38.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 84 | E | 20.1 | Very low | 22.9 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | | | | 172.4 | 165.2 | 82.1 | -154 | 161.6 | -146.1 | 0 | 0 | 109.5 | | |
| 85 | M | 22.9 | Very low | 23 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | | | trans | 92.9 | 97.5 | 167 | -50.7 | -58.3 | -135.1 | 0 | 0 | 116.2 | | |
| 86 | N | 20.8 | Very low | 22.7 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | | | | 83.3 | 134.4 | 70.9 | -77.6 | -28 | 0 | 0 | 0 | 114.5 | | |
| 87 | D | 21.4 | Very low | 22.5 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | 79.4 | 97.8 | 152.7 | -60 | -32.6 | 0 | 0 | 0 | 120.8 | L89 | D87-L89 PolarHBondContact O-N 3.47Š|
| 88 | S | 20.1 | Very low | 22.3 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | | | | 31.9 | 87.8 | 111.4 | -57.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 89 | L | 26.1 | Very low | 22.2 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | | | trans | -127 | 99.1 | 151.5 | -77 | 168.5 | 0 | 0 | 0 | 110 | D87 | D87-L89 PolarHBondContact O-N 3.47Š|
| 90 | K | 19.2 | Very low | 22.2 | Very low | 193 Ų | 193 | 136.8 Ų | 136.8 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | -60.9 | 170 | 145.4 | -95.1 | 179.7 | 174.9 | 176.3 | 0 | 109.2 | | |
| 91 | P | 36.5 | Very low | 22.7 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | | | cis | -135.2 | -175 | -29.1 | 35.9 | -17.4 | 0 | 0 | 0 | 112.8 | | |
| 92 | N | 20 | Very low | 22.9 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | 86.1 | 90.3 | 151.1 | -101.6 | 3.2 | 0 | 0 | 0 | 119.9 | | |
| 93 | S | 23.3 | Very low | 23 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | | -150.2 | 99.5 | 115.4 | 47.5 | 0 | 0 | 0 | 0 | 109.9 | S95 | S93-S95 PolarHBondContact O-N 3.23Š|
| 94 | N | 20.1 | Very low | 23.2 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -71.8 | 104.2 | 160.2 | -86.1 | -19 | 0 | 0 | 0 | 108 | | |
| 95 | S | 24.9 | Very low | 23.3 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | -170.7 | 101.7 | 146.6 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | S93 | S93-S95 PolarHBondContact O-N 3.23Š|
| 96 | Q | 17.5 | Very low | 23.6 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -70 | 140.7 | 140.2 | -84 | -171.3 | -53.5 | 0 | 0 | 107.7 | | |
| 97 | P | 23.6 | Very low | 23.7 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | | -129 | 141.7 | 90.2 | 37.1 | -26.2 | 0 | 0 | 0 | 110.6 | | |
| 98 | A | 17.8 | Very low | 24 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | | 49.6 | 92.4 | 73.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 99 | L | 24.4 | Very low | 24.3 | Very low | 174 Ų | 174 | 140 Ų | 140 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | 173.2 | 113.1 | 137.9 | -91.7 | 161 | 0 | 0 | 0 | 111.4 | | |
| 100 | D | 21.6 | Very low | 24.2 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -49.3 | 159.7 | 139.7 | -118.3 | -20.2 | 0 | 0 | 0 | 109.4 | | |
| 101 | P | 33.7 | Very low | 24.5 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | | | cis | -160.1 | 179.7 | 40.4 | 33.6 | -6.4 | 0 | 0 | 0 | 118.7 | | |
| 102 | F | 23.5 | Very low | 23.9 | Very low | 186 Ų | 186 | 138 Ų | 138 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | | | trans | 84.1 | 117 | 145.2 | -73.7 | -55.7 | 0 | 0 | 0 | 123.7 | | |
| 103 | I | 24.9 | Very low | 24.2 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | 110.8 | 104.6 | 137.7 | -64.8 | 159.8 | 0 | 0 | 0 | 118.1 | | |
| 104 | F | 24.1 | Very low | 24.4 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | -59.8 | 123 | 151.7 | -99.6 | -103.3 | 0 | 0 | 0 | 110.9 | | |
| 105 | G | 22.2 | Very low | 24.7 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | trans | -119.8 | 107 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 106 | V | 29.5 | Very low | 25.1 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -92.1 | 117.8 | 164 | -165.2 | 0 | 0 | 0 | 0 | 106.8 | F108 | V106-F108 PolarHBondContact O-N 3.23Š|
| 107 | S | 22.5 | Very low | 25.7 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | -61.9 | 112.8 | -178.1 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 108 | F | 28.6 | Very low | 25.9 | Very low | 197 Ų | 197 | 134 Ų | 134 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | -91.3 | 114.4 | 151.8 | -77.6 | -84.4 | 0 | 0 | 0 | 107.5 | V106 E110 | V106-F108 PolarHBondContact O-N 3.23Å; F108-E110 PolarHBondContact O-N 2.89Å; F108-E110 VanDerWaalsContact O-N 3.15Å |
| 109 | T | 27.1 | Very low | 26.5 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -69.6 | 103.5 | 164.1 | 48.2 | 0 | 0 | 0 | 0 | 107.7 | S111 | T109-S111 PolarHBondContact O-N 3.39Š|
| 110 | E | 24.1 | Very low | 26.7 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -55.1 | 116.2 | 163.2 | -90.2 | 176.1 | 138.4 | 0 | 0 | 109.8 | F108 | F108-E110 PolarHBondContact O-N 2.89Å; F108-E110 VanDerWaalsContact O-N 3.15Å |
| 111 | S | 25.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | | | trans | -96.9 | 112.8 | 154.4 | 36.4 | 0 | 0 | 0 | 0 | 108.6 | T109 | T109-S111 PolarHBondContact O-N 3.39Š|
| 112 | N | 23.8 | Very low | 26.7 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | -62.5 | 155.7 | -178.1 | -80.8 | -44.5 | 0 | 0 | 0 | 114.6 | | |
| 113 | S | 25.6 | Very low | 27 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | trans | 90.1 | 108.7 | 145.1 | 76.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 114 | S | 27 | Very low | 27 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | | | trans | 35.6 | 87.7 | 131.9 | 60.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 115 | N | 26.7 | Very low | 27.1 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | | | trans | -162.6 | 57.3 | 146.7 | -102.3 | -17.5 | 0 | 0 | 0 | 111.4 | Q117 | N115-Q117 PolarHBondContact O-N 3.23Š|
| 116 | S | 34.1 | Very low | 27.2 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 19.4 | -177.4 | 60.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 117 | Q | 29.3 | Very low | 27.2 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -11 | 178.1 | -151.5 | 175.9 | -1.7 | 0 | 0 | 113.4 | N115 | N115-Q117 PolarHBondContact O-N 3.23Š|
| 118 | L | 28.2 | Very low | 27.3 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 58% | 0.581 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -90.6 | -26.2 | 178.2 | -85.9 | 162.5 | 0 | 0 | 0 | 114 | A120 L121 Q122 | L118-A120 PolarHBondContact O-N 2.95Å; L118-L121 PolarHBondContact O-N 3.21Å; L118-Q122 PolarHBondContact O-N 3.41Å |
| 119 | D | 31.3 | Very low | 27.1 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 59% | 0.594 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -73.3 | -28.9 | -175.8 | -65.8 | -23.5 | 0 | 0 | 0 | 113.6 | L121 | D119-L121 VanDerWaalsContact C-N 3.33Å; D119-L121 PolarHBondContact O-N 3.32Å |
| 120 | A | 28.5 | Very low | 27.1 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -72.6 | -26.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L118 | L118-A120 PolarHBondContact O-N 2.95Å |
| 121 | L | 25.6 | Very low | 27.3 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 57% | 0.565 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -82.7 | -26.9 | 177.7 | -81.7 | 163.2 | 0 | 0 | 0 | 112.4 | L118 D119 S124 K125 | L118-L121 PolarHBondContact O-N 3.21Å; D119-L121 VanDerWaalsContact C-N 3.33Å; D119-L121 PolarHBondContact O-N 3.32Å; L121-S124 PolarHBondContact O-N 3.2Å; L121-S124 PolarHBondContact O-OG 3.29Å; L121-K125 PolarHBondContact O-N 3.35Å |
| 122 | Q | 28.3 | Very low | 27.1 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 62% | 0.621 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -69.9 | -35.2 | 178 | -93.7 | -171.7 | -5.8 | 0 | 0 | 113.6 | L118 S124 K125 M126 | L118-Q122 PolarHBondContact O-N 3.41Å; Q122-S124 PolarHBondContact O-N 3.5Å; Q122-K125 PolarHBondContact O-N 2.83Å; Q122-K125 VanDerWaalsContact O-N 3.13Å; Q122-M126 PolarHBondContact O-N 2.96Å |
| 123 | L | 29.7 | Very low | 27.1 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -66.2 | -27.2 | 174.4 | -72.5 | 170.2 | 0 | 0 | 0 | 112.6 | | |
| 124 | S | 25.3 | Very low | 27 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 58% | 0.58 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -80.2 | -14 | 175.1 | 73.5 | 0 | 0 | 0 | 0 | 114.3 | L121 Q122 | L121-S124 PolarHBondContact O-N 3.2Å; L121-S124 PolarHBondContact O-OG 3.29Å; Q122-S124 PolarHBondContact O-N 3.5Å |
| 125 | K | 25.7 | Very low | 26.8 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -104.2 | -9.4 | -176.3 | -113.4 | 176.8 | 179.8 | 179 | 0 | 115 | L121 Q122 | L121-K125 PolarHBondContact O-N 3.35Å; Q122-K125 PolarHBondContact O-N 2.83Å; Q122-K125 VanDerWaalsContact O-N 3.13Å |
| 126 | M | 24.8 | Very low | 26.7 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -7.5 | -180 | -71.1 | -157 | 81.1 | 0 | 0 | 115.3 | Q122 | Q122-M126 PolarHBondContact O-N 2.96Š|
| 127 | H | 30.4 | Very low | 26.1 | Very low | 183 Ų | 183 | 126.8 Ų | 126.8 | 85% | 0.847 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 2.2 | -179.9 | -79 | -66.2 | 0 | 0 | 0 | 115.9 | | |
| 128 | S | 24.1 | Very low | 25.9 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -107.7 | -2.3 | -179.4 | 65.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 129 | N | 25 | Very low | 25.9 | Very low | 145 Ų | 145 | 126.9 Ų | 126.9 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | -127 | 24 | -172.1 | -77.3 | 20.5 | 0 | 0 | 0 | 116.3 | L131 | N129-L131 VanDerWaalsContact C-N 3.33Š|
| 130 | S | 26.5 | Very low | 25.6 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | | | trans | -100 | 52.5 | 165.1 | -170.1 | 0 | 0 | 0 | 0 | 111 | | |
| 131 | L | 27.3 | Very low | 25.5 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | | | trans | -105.7 | 93.9 | 168.7 | -163 | 75.1 | 0 | 0 | 0 | 107.1 | N129 | N129-L131 VanDerWaalsContact C-N 3.33Š|
| 132 | G | 21.3 | Very low | 25.5 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | | | trans | 123.8 | 76.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 133 | S | 23.9 | Very low | 25.4 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -154 | 128.6 | 139.8 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 134 | T | 24.3 | Very low | 25.3 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | -67.8 | 146.3 | -179.4 | 47 | 0 | 0 | 0 | 0 | 113 | | |
| 135 | N | 22.5 | Very low | 25.5 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | | | trans | 75.4 | 82.4 | 160.7 | -52.9 | -18.7 | 0 | 0 | 0 | 118 | | |
| 136 | S | 24.7 | Very low | 25.5 | Very low | 119 Ų | 119 | 146.2 Ų | 146.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -128.1 | 132.9 | 146.4 | 60.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 137 | S | 21.5 | Very low | 25.9 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | | | trans | -47 | 148.8 | -176.8 | 48.5 | 0 | 0 | 0 | 0 | 114 | L139 | S137-L139 PolarHBondContact O-N 3.35Š|
| 138 | P | 25.3 | Very low | 26.3 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -56.7 | 110.7 | 170.9 | 24.3 | -31 | 0 | 0 | 0 | 108.2 | E140 | P138-E140 VanDerWaalsContact C-N 3.3Å; P138-E140 PolarHBondContact O-N 2.92Å |
| 139 | L | 28 | Very low | 26.8 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -68.9 | 96.6 | 172.8 | -158.7 | 79.4 | 0 | 0 | 0 | 106 | S137 N141 | S137-L139 PolarHBondContact O-N 3.35Å; L139-N141 PolarHBondContact O-N 2.89Å |
| 140 | E | 25.7 | Very low | 27.4 | Very low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -49.3 | 119.5 | 170.1 | -71.4 | -170.6 | 149.7 | 0 | 0 | 109.3 | P138 K142 | P138-E140 VanDerWaalsContact C-N 3.3Å; P138-E140 PolarHBondContact O-N 2.92Å; E140-K142 PolarHBondContact O-N 3.23Å |
| 141 | N | 25.9 | Very low | 28.2 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 2.4 | 80 | 163.6 | -64.2 | -29.9 | 0 | 0 | 0 | 116.3 | L139 | L139-N141 PolarHBondContact O-N 2.89Š|
| 142 | K | 25.6 | Very low | 28.9 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | -128.8 | 73.7 | 160.4 | -76.8 | -164.4 | 179.3 | -178.9 | 0 | 109.6 | E140 | E140-K142 PolarHBondContact O-N 3.23Š|
| 143 | E | 26.7 | Very low | 29.9 | Very low | 179 Ų | 179 | 126.6 Ų | 126.6 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | | | trans | -168.2 | 20.2 | 151.8 | -115.6 | 170.3 | -164 | 0 | 0 | 115.8 | L145 | E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 3.03Å; E143-L145 VanDerWaalsContact O-N 3.13Å |
| 144 | Y | 27.7 | Very low | 30.6 | Very low | 202 Ų | 202 | 126 Ų | 126 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | | | trans | -81.7 | 90.7 | 154.9 | -74.7 | -79.7 | 0 | 0 | 0 | 107.5 | F146 | Y144-F146 PolarHBondContact O-N 2.83Š|
| 145 | L | 28 | Very low | 31.6 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 85% | 0.848 | 69% | 0.685 | S | S | * | * | | | trans | -54.4 | 86.1 | 151.5 | -87.5 | 146.8 | 0 | 0 | 0 | 106.5 | E143 P147 | E143-L145 VanDerWaalsContact C-N 3.3Å; E143-L145 PolarHBondContact O-N 3.03Å; E143-L145 VanDerWaalsContact O-N 3.13Å; L145-P147 WeakPolarHBondContact O-CD 3.2Å; L145-P147 VanDerWaalsContact O-N 3.09Å |
| 146 | F | 27.3 | Very low | 32.7 | Very low | 179 Ų | 179 | 120.4 Ų | 120.4 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | | | trans | -49.1 | 120.2 | 162.6 | -86.2 | -90 | 0 | 0 | 0 | 105.8 | Y144 S148 | Y144-F146 PolarHBondContact O-N 2.83Å; F146-S148 PolarHBondContact O-N 2.69Å |
| 147 | P | 31.5 | Very low | 33.8 | Very low | 71 Ų | 71 | 120.9 Ų | 120.9 | 46% | 0.461 | 64% | 0.644 | S | S | . | * | | | trans | -57.6 | 122.3 | 171.1 | 25 | -31.6 | 0 | 0 | 0 | 105.9 | L145 S149 | L145-P147 WeakPolarHBondContact O-CD 3.2Å; L145-P147 VanDerWaalsContact O-N 3.09Å; P147-S149 CarbonylContact O-C 3.32Å; P147-S149 PolarHBondContact O-N 3.29Å |
| 148 | S | 39.8 | Very low | 34.9 | Very low | 131 Ų | 131 | 121.4 Ų | 121.4 | 92% | 0.916 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -59.2 | -5 | -177.8 | 41.2 | 0 | 0 | 0 | 0 | 113.2 | F146 | F146-S148 PolarHBondContact O-N 2.69Š|
| 149 | S | 34.7 | Very low | 35.8 | Very low | 43 Ų | 43 | 122 Ų | 122 | 30% | 0.301 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -141.7 | 139.8 | 155 | 70 | 0 | 0 | 0 | 0 | 110.6 | P147 L151 S152 | P147-S149 CarbonylContact O-C 3.32Å; P147-S149 PolarHBondContact O-N 3.29Å; S149-L151 PolarHBondContact O-N 3.28Å; S149-L151 VanDerWaalsContact O-N 3.08Å; S149-S152 PolarHBondContact O-N 3.34Å; S149-S152 PolarHBondContact O-OG 3.25Å; S149-S152 WeakPolarHBondContact OG-CB 3.49Å; S149-S152 PolarHBondContact OG-N 3.38Å; S149-S152 PolarHBondContact OG-OG 3.29Å; S149-S152 VanDerWaalsContact OG-OG 3.1Å |
| 150 | P | 37.7 | Very low | 36.8 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -55.9 | -27.3 | 171.4 | 20.2 | -30.3 | 0 | 0 | 0 | 111.9 | S153 I156 | P150-S153 PolarHBondContact O-OG 3.18Å; P150-I156 WeakPolarHBondContact O-CD1 3.42Å |
| 151 | L | 43 | Very low | 37.4 | Very low | 92 Ų | 92 | 113.1 Ų | 113.1 | 48% | 0.482 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -75.3 | -16.8 | 177.4 | -69.7 | 164.1 | 0 | 0 | 0 | 115.1 | S149 S153 I156 M210 | S149-L151 PolarHBondContact O-N 3.28Å; S149-L151 VanDerWaalsContact O-N 3.08Å; L151-S153 VanDerWaalsContact C-N 3.3Å; L151-I156 HydrophobicContact CD2-CD1 4.21Å; L151-I156 HydrophobicContact CD2-CG2 4.34Å; L151-M210 HydrophobicContact CD1-CE 4.17Å |
| 152 | S | 41.5 | Very low | 37.9 | Very low | 56 Ų | 56 | 112 Ų | 112 | 39% | 0.392 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -86.6 | -0.4 | 177.1 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | S149 T154 | S149-S152 PolarHBondContact O-N 3.34Å; S149-S152 PolarHBondContact O-OG 3.25Å; S149-S152 WeakPolarHBondContact OG-CB 3.49Å; S149-S152 PolarHBondContact OG-N 3.38Å; S149-S152 PolarHBondContact OG-OG 3.29Å; S149-S152 VanDerWaalsContact OG-OG 3.1Å; S152-T154 PolarHBondContact O-N 2.8Å |
| 153 | S | 42.1 | Very low | 38.8 | Very low | 35 Ų | 35 | 106.6 Ų | 106.6 | 25% | 0.245 | 56% | 0.559 | C | S | . | * | S | Bend | trans | -64.3 | 128.8 | 173.8 | 71.1 | 0 | 0 | 0 | 0 | 109.4 | P150 L151 L155 I156 | P150-S153 PolarHBondContact O-OG 3.18Å; L151-S153 VanDerWaalsContact C-N 3.3Å; S153-L155 PolarHBondContact O-N 3.5Å; S153-I156 PolarHBondContact O-N 3.46Å |
| 154 | T | 39.8 | Very low | 39.7 | Very low | 106 Ų | 106 | 103 Ų | 103 | 65% | 0.65 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -48.8 | -26.2 | 176 | -50.2 | 0 | 0 | 0 | 0 | 112.5 | S152 K157 L158 | S152-T154 PolarHBondContact O-N 2.8Å; T154-K157 PolarHBondContact O-N 2.81Å; T154-L158 HydrophobicContact CG2-CD1 4.45Å; T154-L158 WeakPolarHBondContact O-CG 3.44Å; T154-L158 PolarHBondContact O-N 3.35Å |
| 155 | L | 43.5 | Very low | 40.1 | Very low | 108 Ų | 108 | 100.2 Ų | 100.2 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.3 | -40.4 | 174.4 | -72.5 | 168.2 | 0 | 0 | 0 | 113.8 | S153 L158 Y159 | S153-L155 PolarHBondContact O-N 3.5Å; L155-L158 PolarHBondContact O-N 2.81Å; L155-Y159 PolarHBondContact O-N 2.77Å |
| 156 | I | 47.5 | Very low | 40 | Very low | 54 Ų | 54 | 97.4 Ų | 97.4 | 28% | 0.277 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -72.5 | -36.1 | -179.9 | -70.2 | 166 | 0 | 0 | 0 | 110.9 | P150 L151 S153 L158 Y159 L160 | P150-I156 WeakPolarHBondContact O-CD1 3.42Å; L151-I156 HydrophobicContact CD2-CD1 4.21Å; L151-I156 HydrophobicContact CD2-CG2 4.34Å; S153-I156 PolarHBondContact O-N 3.46Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 PolarHBondContact O-N 3.41Å; I156-Y159 PolarHBondContact O-N 3.32Å; I156-L160 HydrophobicContact CG2-CD1 4.02Å; I156-L160 HydrophobicContact CG2-CG 4.45Å; I156-L160 WeakPolarHBondContact O-CB 3.44Å; I156-L160 WeakPolarHBondContact O-CG 3.28Å; I156-L160 PolarHBondContact O-N 3.21Å |
| 157 | K | 47.8 | Very low | 40.1 | Very low | 130 Ų | 130 | 93.3 Ų | 93.3 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | 170.6 | -70.4 | -177.1 | 179.4 | 179.5 | 0 | 111.4 | T154 S161 | T154-K157 PolarHBondContact O-N 2.81Å; K157-S161 WeakPolarHBondContact O-CB 3.39Å; K157-S161 PolarHBondContact O-N 3.09Å; K157-S161 VanDerWaalsContact O-N 3.08Å; K157-S161 PolarHBondContact O-OG 3.25Å |
| 158 | L | 43.1 | Very low | 40.2 | Very low | 106 Ų | 106 | 95.9 Ų | 95.9 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.7 | -38 | 175.9 | -76.4 | 166.9 | 0 | 0 | 0 | 112.6 | T154 L155 I156 S161 K162 | T154-L158 HydrophobicContact CG2-CD1 4.45Å; T154-L158 WeakPolarHBondContact O-CG 3.44Å; T154-L158 PolarHBondContact O-N 3.35Å; L155-L158 PolarHBondContact O-N 2.81Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 PolarHBondContact O-N 3.41Å; L158-S161 VanDerWaalsContact CA-OG 3.28Å; L158-S161 WeakPolarHBondContact CA-OG 3.5Å; L158-S161 PolarHBondContact O-OG 3.05Å; L158-K162 PolarHBondContact O-N 3.34Å |
| 159 | Y | 43.8 | Very low | 39.6 | Very low | 135 Ų | 135 | 96 Ų | 96 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.5 | -47.6 | 176.2 | -177 | -100.5 | 0 | 0 | 0 | 112 | L155 I156 S161 K162 V163 | L155-Y159 PolarHBondContact O-N 2.77Å; I156-Y159 PolarHBondContact O-N 3.32Å; Y159-S161 VanDerWaalsContact C-N 3.31Å; Y159-S161 PolarHBondContact O-N 3.39Å; Y159-K162 PolarHBondContact O-N 3.41Å; Y159-K162 VanDerWaalsContact O-N 3.11Å; Y159-V163 HydrophobicContact CD1-CG2 3.96Å; Y159-V163 HydrophobicContact CE1-CG2 3.52Å; Y159-V163 HydrophobicContact CE2-CG2 4.12Å; Y159-V163 HydrophobicContact CG-CG2 4.43Å; Y159-V163 WeakPolarHBondContact O-CG2 3.46Å; Y159-V163 PolarHBondContact O-N 3.45Å |
| 160 | L | 49 | Very low | 39.3 | Very low | 86 Ų | 86 | 100.9 Ų | 100.9 | 45% | 0.45 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.1 | -37.8 | 177.7 | -73.8 | 169.7 | 0 | 0 | 0 | 112.4 | I156 S164 | I156-L160 HydrophobicContact CG2-CD1 4.02Å; I156-L160 HydrophobicContact CG2-CG 4.45Å; I156-L160 WeakPolarHBondContact O-CB 3.44Å; I156-L160 WeakPolarHBondContact O-CG 3.28Å; I156-L160 PolarHBondContact O-N 3.21Å; L160-S164 WeakPolarHBondContact O-CB 3.35Å; L160-S164 PolarHBondContact O-N 2.78Å; L160-S164 PolarHBondContact O-OG 3.39Å |
| 161 | S | 39.8 | Very low | 38.9 | Very low | 56 Ų | 56 | 102.4 Ų | 102.4 | 39% | 0.392 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.7 | -35.2 | 174.4 | 43.2 | 0 | 0 | 0 | 0 | 112.3 | K157 L158 Y159 L165 | K157-S161 WeakPolarHBondContact O-CB 3.39Å; K157-S161 PolarHBondContact O-N 3.09Å; K157-S161 VanDerWaalsContact O-N 3.08Å; K157-S161 PolarHBondContact O-OG 3.25Å; L158-S161 VanDerWaalsContact CA-OG 3.28Å; L158-S161 WeakPolarHBondContact CA-OG 3.5Å; L158-S161 PolarHBondContact O-OG 3.05Å; Y159-S161 VanDerWaalsContact C-N 3.31Å; Y159-S161 PolarHBondContact O-N 3.39Å; S161-L165 WeakPolarHBondContact O-CD1 3.38Å; S161-L165 PolarHBondContact O-N 2.84Å |
| 162 | K | 34.9 | Very low | 38.1 | Very low | 128 Ų | 128 | 104.8 Ų | 104.8 | 56% | 0.557 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.9 | -42.3 | 171.9 | -90.6 | -164.1 | 171.8 | -172.7 | 0 | 113.9 | L158 Y159 S164 L165 C166 | L158-K162 PolarHBondContact O-N 3.34Å; Y159-K162 PolarHBondContact O-N 3.41Å; Y159-K162 VanDerWaalsContact O-N 3.11Å; K162-S164 PolarHBondContact O-N 2.81Å; K162-L165 CarbonylContact O-C 3.6Å; K162-L165 WeakPolarHBondContact O-CA 3.49Å; K162-L165 PolarHBondContact O-N 3.34Å; K162-C166 PolarHBondContact O-N 3.1Å |
| 163 | V | 45.4 | Very low | 37.4 | Very low | 73 Ų | 73 | 105.3 Ų | 105.3 | 44% | 0.442 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61 | -35.7 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | Y159 L165 C166 | Y159-V163 HydrophobicContact CD1-CG2 3.96Å; Y159-V163 HydrophobicContact CE1-CG2 3.52Å; Y159-V163 HydrophobicContact CE2-CG2 4.12Å; Y159-V163 HydrophobicContact CG-CG2 4.43Å; Y159-V163 WeakPolarHBondContact O-CG2 3.46Å; Y159-V163 PolarHBondContact O-N 3.45Å; V163-L165 PolarHBondContact O-N 3.44Å; V163-C166 PolarHBondContact O-N 3.01Å |
| 164 | S | 46.2 | Very low | 36.5 | Very low | 102 Ų | 102 | 110.7 Ų | 110.7 | 71% | 0.713 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.1 | -22.3 | 174.2 | -56 | 0 | 0 | 0 | 0 | 113.5 | L160 K162 | L160-S164 WeakPolarHBondContact O-CB 3.35Å; L160-S164 PolarHBondContact O-N 2.78Å; L160-S164 PolarHBondContact O-OG 3.39Å; K162-S164 PolarHBondContact O-N 2.81Å |
| 165 | L | 35.2 | Very low | 35.8 | Very low | 145 Ų | 145 | 112.8 Ų | 112.8 | 76% | 0.759 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -93.9 | -22.1 | 176 | -93.7 | 89.3 | 0 | 0 | 0 | 113.8 | S161 K162 V163 S167 | S161-L165 WeakPolarHBondContact O-CD1 3.38Å; S161-L165 PolarHBondContact O-N 2.84Å; K162-L165 CarbonylContact O-C 3.6Å; K162-L165 WeakPolarHBondContact O-CA 3.49Å; K162-L165 PolarHBondContact O-N 3.34Å; V163-L165 PolarHBondContact O-N 3.44Å; L165-S167 PolarHBondContact O-N 3.34Å; L165-S167 VanDerWaalsContact O-N 3.09Å |
| 166 | C | 25.9 | Very low | 35.1 | Very low | 103 Ų | 103 | 115.7 Ų | 115.7 | 70% | 0.696 | 66% | 0.656 | S | S | * | * | | | trans | -82 | 84.1 | 176.1 | -76.5 | 0 | 0 | 0 | 0 | 110.5 | K162 V163 | K162-C166 PolarHBondContact O-N 3.1Å; V163-C166 PolarHBondContact O-N 3.01Å |
| 167 | S | 29.5 | Very low | 34 | Very low | 93 Ų | 93 | 120.9 Ų | 120.9 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 141.4 | 159.8 | 49.8 | 0 | 0 | 0 | 0 | 110.2 | L165 T169 | L165-S167 PolarHBondContact O-N 3.34Å; L165-S167 VanDerWaalsContact O-N 3.09Å; S167-T169 PolarHBondContact O-N 3.38Å |
| 168 | P | 33.5 | Very low | 33 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 121.9 | -174.7 | 24 | -32.3 | 0 | 0 | 0 | 110.6 | E170 | P168-E170 PolarHBondContact O-N 2.95Š|
| 169 | T | 28.2 | Very low | 32.1 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 116.1 | 166.3 | 33.7 | 0 | 0 | 0 | 0 | 108.9 | S167 T171 | S167-T169 PolarHBondContact O-N 3.38Å; T169-T171 PolarHBondContact O-N 3.33Å |
| 170 | E | 28.3 | Very low | 31.1 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | | | trans | -52.4 | 112.9 | 172.1 | -65.5 | 173.4 | 158.4 | 0 | 0 | 110.2 | P168 T172 | P168-E170 PolarHBondContact O-N 2.95Å; E170-T172 PolarHBondContact O-N 2.96Å |
| 171 | T | 29.3 | Very low | 29.9 | Very low | 138 Ų | 138 | 127 Ų | 127 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | | | trans | -79.2 | 96.8 | 165.9 | 43.3 | 0 | 0 | 0 | 0 | 108.7 | T169 | T169-T171 PolarHBondContact O-N 3.33Š|
| 172 | T | 25.7 | Very low | 29.1 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | | | trans | -55.6 | 125.2 | 154.8 | -21.6 | 0 | 0 | 0 | 0 | 108.5 | E170 | E170-T172 PolarHBondContact O-N 2.96Š|
| 173 | G | 26.5 | Very low | 28.6 | Very low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | -173.4 | 80.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 174 | D | 23.6 | Very low | 27.4 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | 22.2 | 123.5 | 144.4 | -57.6 | -34.9 | 0 | 0 | 0 | 121.7 | | |
| 175 | N | 24.9 | Very low | 26.3 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | 31.8 | 102.7 | 136.3 | -73.9 | -20.2 | 0 | 0 | 0 | 118.6 | | |
| 176 | L | 28.9 | Very low | 25.7 | Very low | 168 Ų | 168 | 141 Ų | 141 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | trans | -129.5 | 98.4 | 143.4 | -72.2 | 176.5 | 0 | 0 | 0 | 109.6 | S178 | L176-S178 PolarHBondContact O-N 3.35Š|
| 177 | N | 23.5 | Very low | 25.6 | Very low | 163 Ų | 163 | 143 Ų | 143 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | -60.5 | 113 | 154.5 | -93.3 | -17.6 | 0 | 0 | 0 | 108.3 | | |
| 178 | S | 27.7 | Very low | 25.3 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | -152.8 | 99.6 | 148.7 | 57.5 | 0 | 0 | 0 | 0 | 107.8 | L176 | L176-S178 PolarHBondContact O-N 3.35Š|
| 179 | D | 23.4 | Very low | 25 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -55.1 | 147.4 | 162.9 | -72.8 | -47.5 | 0 | 0 | 0 | 110.6 | | |
| 180 | N | 24.5 | Very low | 25 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | 78.5 | 85.6 | 169.2 | -53.7 | -29 | 0 | 0 | 0 | 116.5 | | |
| 181 | E | 23.6 | Very low | 24.9 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | | -165 | 126.8 | 111.9 | -102.5 | 173.3 | -163.5 | 0 | 0 | 109.4 | L183 | E181-L183 VanDerWaalsContact C-N 3.25Å; E181-L183 PolarHBondContact O-N 3.35Å |
| 182 | Q | 22.5 | Very low | 24.9 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | -62.7 | 82.9 | 174.2 | -81 | 172.2 | -24.3 | 0 | 0 | 110.3 | N184 | Q182-N184 PolarHBondContact O-N 3.3Š|
| 183 | L | 23.5 | Very low | 25 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | | | trans | -80 | 102.2 | 158.3 | -84.9 | 163.7 | 0 | 0 | 0 | 107.5 | E181 F185 | E181-L183 VanDerWaalsContact C-N 3.25Å; E181-L183 PolarHBondContact O-N 3.35Å; L183-F185 VanDerWaalsContact C-N 3.31Å; L183-F185 HydrophobicContact CB-CE2 4.37Å; L183-F185 WeakPolarHBondContact O-CD2 3.36Å; L183-F185 PolarHBondContact O-N 3.24Å |
| 184 | N | 20.4 | Very low | 25.3 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | -55.9 | 93.9 | 168.4 | -80.1 | -47.5 | 0 | 0 | 0 | 109.5 | Q182 H186 | Q182-N184 PolarHBondContact O-N 3.3Å; N184-H186 VanDerWaalsContact C-N 3.33Å; N184-H186 PolarHBondContact O-N 3.49Å |
| 185 | F | 23.3 | Very low | 25.5 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -70.7 | 88.4 | 171.1 | -76 | -76.1 | 0 | 0 | 0 | 109.7 | L183 N187 N188 | L183-F185 VanDerWaalsContact C-N 3.31Å; L183-F185 HydrophobicContact CB-CE2 4.37Å; L183-F185 WeakPolarHBondContact O-CD2 3.36Å; L183-F185 PolarHBondContact O-N 3.24Å; F185-N187 PolarHBondContact O-N 3.35Å; F185-N188 VanDerWaalsContact CD1-ND2 3.28Å; F185-N188 WeakPolarHBondContact CD1-ND2 3.25Å |
| 186 | H | 23 | Very low | 25.8 | Very low | 164 Ų | 164 | 142 Ų | 142 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | -64.4 | 110.8 | 161 | -115.1 | -85.7 | 0 | 0 | 0 | 108.9 | N184 | N184-H186 VanDerWaalsContact C-N 3.33Å; N184-H186 PolarHBondContact O-N 3.49Å |
| 187 | N | 23.7 | Very low | 25.9 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | 49.9 | 62.8 | 159.1 | -65.9 | -20.3 | 0 | 0 | 0 | 117.8 | F185 L189 | F185-N187 PolarHBondContact O-N 3.35Å; N187-L189 PolarHBondContact O-N 2.64Å |
| 188 | N | 23.9 | Very low | 26.1 | Very low | 114 Ų | 114 | 133 Ų | 133 | 61% | 0.61 | 72% | 0.718 | S | S | * | * | | | trans | -90.2 | 81.3 | 163 | -82.1 | -19.8 | 0 | 0 | 0 | 111.5 | F185 | F185-N188 VanDerWaalsContact CD1-ND2 3.28Å; F185-N188 WeakPolarHBondContact CD1-ND2 3.25Å |
| 189 | L | 27.3 | Very low | 26.2 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | | | trans | -105.6 | 12.5 | 157 | -107.8 | 151 | 0 | 0 | 0 | 112 | N187 P191 | N187-L189 PolarHBondContact O-N 2.64Å; L189-P191 VanDerWaalsContact C-CD 3.5Å; L189-P191 WeakPolarHBondContact O-CD 3.29Å |
| 190 | Y | 26.5 | Very low | 26.4 | Very low | 202 Ų | 202 | 128.8 Ų | 128.8 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -114.3 | 78.6 | 168.4 | -69 | -81 | 0 | 0 | 0 | 109.8 | N192 | Y190-N192 PolarHBondContact O-N 3.29Š|
| 191 | P | 27.7 | Very low | 26.6 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | | | trans | -72.5 | 120.4 | 171.3 | 30 | -28.6 | 0 | 0 | 0 | 108.7 | L189 | L189-P191 VanDerWaalsContact C-CD 3.5Å; L189-P191 WeakPolarHBondContact O-CD 3.29Å |
| 192 | N | 27.8 | Very low | 27 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | | | trans | 68.1 | 61.4 | 151.1 | -64.7 | -22.1 | 0 | 0 | 0 | 119.4 | Y190 I194 | Y190-N192 PolarHBondContact O-N 3.29Å; N192-I194 VanDerWaalsContact C-N 3.35Å |
| 193 | L | 29.9 | Very low | 27.3 | Very low | 85 Ų | 85 | 115.8 Ų | 115.8 | 45% | 0.445 | 64% | 0.638 | S | S | . | * | | | trans | -93 | 9.3 | 149.6 | -75.8 | 166.5 | 0 | 0 | 0 | 113.1 | G195 L196 Q201 | L193-G195 PolarHBondContact O-N 3.31Å; L193-L196 HydrophobicContact CD2-CD1 3.71Å; L193-L196 PolarHBondContact O-N 2.83Å; L193-Q201 HydrophobicContact CD1-CG 4.44Å |
| 194 | I | 31.7 | Very low | 27.6 | Very low | 160 Ų | 160 | 115 Ų | 115 | 82% | 0.821 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -1.3 | -176.3 | -83 | 144.1 | 0 | 0 | 0 | 114.5 | N192 | N192-I194 VanDerWaalsContact C-N 3.35Š|
| 195 | G | 27.1 | Very low | 28 | Very low | 77 Ų | 77 | 115.9 Ų | 115.9 | 79% | 0.794 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -6.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116 | L193 | L193-G195 PolarHBondContact O-N 3.31Š|
| 196 | L | 32.9 | Very low | 28.3 | Very low | 79 Ų | 79 | 111.1 Ų | 111.1 | 41% | 0.414 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -95.9 | 127.7 | -179 | -79.9 | 152.7 | 0 | 0 | 0 | 109.6 | L193 G198 L200 | L193-L196 HydrophobicContact CD2-CD1 3.71Å; L193-L196 PolarHBondContact O-N 2.83Å; L196-G198 PolarHBondContact O-N 2.74Å; L196-L200 HydrophobicContact CD2-CB 4.19Å; L196-L200 HydrophobicContact CD2-CD1 3.59Å |
| 197 | P | 30.9 | Very low | 28.6 | Very low | 86 Ų | 86 | 105.9 Ų | 105.9 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | | | trans | -55.8 | 132.5 | 173 | 22.6 | -30 | 0 | 0 | 0 | 107.9 | S199 L200 | P197-S199 PolarHBondContact O-N 3.49Å; P197-L200 PolarHBondContact O-N 3.04Å |
| 198 | G | 26.6 | Very low | 28.9 | Very low | 54 Ų | 54 | 103.2 Ų | 103.2 | 56% | 0.557 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -8.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | L196 L200 | L196-G198 PolarHBondContact O-N 2.74Å; G198-L200 VanDerWaalsContact C-N 3.31Å; G198-L200 PolarHBondContact O-N 2.88Å |
| 199 | S | 29.9 | Very low | 29.1 | Very low | 80 Ų | 80 | 102.7 Ų | 102.7 | 56% | 0.559 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -24.2 | 169.2 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | P197 T202 V203 | P197-S199 PolarHBondContact O-N 3.49Å; S199-T202 PolarHBondContact O-OG1 3.08Å; S199-V203 WeakPolarHBondContact O-CG2 3.4Å |
| 200 | L | 28.3 | Very low | 29.1 | Very low | 82 Ų | 82 | 100 Ų | 100 | 43% | 0.429 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.1 | -21.5 | -178.6 | -83.2 | 160.5 | 0 | 0 | 0 | 114.2 | L196 P197 G198 V203 | L196-L200 HydrophobicContact CD2-CB 4.19Å; L196-L200 HydrophobicContact CD2-CD1 3.59Å; P197-L200 PolarHBondContact O-N 3.04Å; G198-L200 VanDerWaalsContact C-N 3.31Å; G198-L200 PolarHBondContact O-N 2.88Å; L200-V203 PolarHBondContact O-N 3.38Å |
| 201 | Q | 29.1 | Very low | 29.2 | Very low | 105 Ų | 105 | 96 Ų | 96 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.6 | -36.6 | -178.3 | -133.7 | 173.7 | 5.7 | 0 | 0 | 112 | L193 V203 | L193-Q201 HydrophobicContact CD1-CG 4.44Å; Q201-V203 VanDerWaalsContact C-N 3.32Å |
| 202 | T | 30.1 | Very low | 29.1 | Very low | 91 Ų | 91 | 98.4 Ų | 98.4 | 56% | 0.558 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73 | -25.8 | 173.2 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | S199 S206 | S199-T202 PolarHBondContact O-OG1 3.08Å; T202-S206 PolarHBondContact O-N 3.07Å; T202-S206 PolarHBondContact O-OG 2.74Å |
| 203 | V | 28.8 | Very low | 29.3 | Very low | 57 Ų | 57 | 97.5 Ų | 97.5 | 35% | 0.345 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.7 | -33.2 | -179.4 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | S199 L200 Q201 S206 L207 | S199-V203 WeakPolarHBondContact O-CG2 3.4Å; L200-V203 PolarHBondContact O-N 3.38Å; Q201-V203 VanDerWaalsContact C-N 3.32Å; V203-S206 CarbonylContact O-C 3.47Å; V203-S206 PolarHBondContact O-N 2.99Å; V203-L207 HydrophobicContact CG1-CD1 3.51Å; V203-L207 HydrophobicContact CG1-CG 3.73Å; V203-L207 WeakPolarHBondContact O-CA 3.39Å; V203-L207 WeakPolarHBondContact O-CB 3.47Å; V203-L207 WeakPolarHBondContact O-CD1 3.24Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 2.68Å |
| 204 | L | 31.1 | Very low | 29.2 | Very low | 117 Ų | 117 | 98.7 Ų | 98.7 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.5 | -44.6 | 178.6 | -97.3 | 139.2 | 0 | 0 | 0 | 113.9 | S206 L207 A208 | L204-S206 VanDerWaalsContact C-N 3.3Å; L204-S206 PolarHBondContact O-N 2.85Å; L204-L207 PolarHBondContact O-N 3.11Å; L204-A208 PolarHBondContact O-N 2.92Å |
| 205 | H | 28.8 | Very low | 28.9 | Very low | 168 Ų | 168 | 101 Ų | 101 | 78% | 0.778 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.1 | -32 | 174.8 | -93.1 | -69.2 | 0 | 0 | 0 | 112.2 | | |
| 206 | S | 29.7 | Very low | 28.9 | Very low | 61 Ų | 61 | 104.4 Ų | 104.4 | 43% | 0.427 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.3 | -33.7 | 174.1 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | T202 V203 L204 S209 M210 | T202-S206 PolarHBondContact O-N 3.07Å; T202-S206 PolarHBondContact O-OG 2.74Å; V203-S206 CarbonylContact O-C 3.47Å; V203-S206 PolarHBondContact O-N 2.99Å; L204-S206 VanDerWaalsContact C-N 3.3Å; L204-S206 PolarHBondContact O-N 2.85Å; S206-S209 CarbonylContact O-C 3.56Å; S206-S209 PolarHBondContact O-N 3.47Å; S206-S209 VanDerWaalsContact O-N 3.16Å; S206-M210 VanDerWaalsContact O-CB 3.31Å; S206-M210 WeakPolarHBondContact O-CB 3.28Å; S206-M210 VanDerWaalsContact O-CG 3.28Å; S206-M210 WeakPolarHBondContact O-CG 3.43Å; S206-M210 PolarHBondContact O-N 3.02Å |
| 207 | L | 29.4 | Very low | 28.4 | Very low | 54 Ų | 54 | 108.7 Ų | 108.7 | 28% | 0.283 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.8 | -40.8 | 179.9 | -85.9 | 166.1 | 0 | 0 | 0 | 111.8 | V203 L204 S209 M210 | V203-L207 HydrophobicContact CG1-CD1 3.51Å; V203-L207 HydrophobicContact CG1-CG 3.73Å; V203-L207 WeakPolarHBondContact O-CA 3.39Å; V203-L207 WeakPolarHBondContact O-CB 3.47Å; V203-L207 WeakPolarHBondContact O-CD1 3.24Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 2.68Å; L204-L207 PolarHBondContact O-N 3.11Å; L207-S209 PolarHBondContact O-N 3.49Å; L207-M210 PolarHBondContact O-N 3.42Å; L207-M210 VanDerWaalsContact O-N 3.17Å |
| 208 | A | 29.3 | Very low | 28.2 | Very low | 89 Ų | 89 | 111.5 Ų | 111.5 | 74% | 0.736 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.1 | -30.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L204 | L204-A208 PolarHBondContact O-N 2.92Å |
| 209 | S | 27.4 | Very low | 28 | Very low | 103 Ų | 103 | 111.8 Ų | 111.8 | 72% | 0.72 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -89.6 | -13.6 | 177.3 | -172.8 | 0 | 0 | 0 | 0 | 114.2 | S206 L207 | S206-S209 CarbonylContact O-C 3.56Å; S206-S209 PolarHBondContact O-N 3.47Å; S206-S209 VanDerWaalsContact O-N 3.16Å; L207-S209 PolarHBondContact O-N 3.49Å |
| 210 | M | 27.9 | Very low | 27.7 | Very low | 106 Ų | 106 | 114.9 Ų | 114.9 | 52% | 0.522 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -99.3 | -8.9 | -169.8 | -88.7 | 176.2 | 24.4 | 0 | 0 | 115 | L151 S206 L207 M212 | L151-M210 HydrophobicContact CD1-CE 4.17Å; S206-M210 VanDerWaalsContact O-CB 3.31Å; S206-M210 WeakPolarHBondContact O-CB 3.28Å; S206-M210 VanDerWaalsContact O-CG 3.28Å; S206-M210 WeakPolarHBondContact O-CG 3.43Å; S206-M210 PolarHBondContact O-N 3.02Å; L207-M210 PolarHBondContact O-N 3.42Å; L207-M210 VanDerWaalsContact O-N 3.17Å; M210-M212 PolarHBondContact O-N 3.3Å |
| 211 | V | 29.2 | Very low | 27.5 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 72% | 0.715 | 64% | 0.644 | S | S | * | * | | | trans | -74.7 | 83.3 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 212 | M | 25.4 | Very low | 27.3 | Very low | 159 Ų | 159 | 117.2 Ų | 117.2 | 78% | 0.783 | 64% | 0.644 | S | S | * | * | | | trans | -59.8 | 123.8 | 157.2 | -84.1 | -88.2 | -170.8 | 0 | 0 | 107.5 | M210 T214 | M210-M212 PolarHBondContact O-N 3.3Å; M212-T214 PolarHBondContact O-N 2.82Å |
| 213 | P | 31.4 | Very low | 27.5 | Very low | 117 Ų | 117 | 119.9 Ų | 119.9 | 76% | 0.76 | 66% | 0.66 | S | S | * | * | | | trans | -63.6 | 105.6 | 178.5 | 23.1 | -30.1 | 0 | 0 | 0 | 108.8 | R215 | P213-R215 PolarHBondContact O-N 3.33Å; P213-R215 VanDerWaalsContact O-N 3.09Å |
| 214 | T | 28.5 | Very low | 27.5 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | | | trans | -68.8 | 108.2 | 173.5 | -48.6 | 0 | 0 | 0 | 0 | 106.7 | M212 H216 | M212-T214 PolarHBondContact O-N 2.82Å; T214-H216 VanDerWaalsContact C-N 3.31Å; T214-H216 PolarHBondContact O-N 2.93Å |
| 215 | R | 24.8 | Very low | 27.6 | Very low | 208 Ų | 208 | 124.5 Ų | 124.5 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | | | trans | -62.2 | 99.7 | 164 | -70.5 | -173 | -179.2 | -178.5 | 0.2 | 106.3 | P213 F217 | P213-R215 PolarHBondContact O-N 3.33Å; P213-R215 VanDerWaalsContact O-N 3.09Å; R215-F217 HydrophobicContact CB-CD2 3.91Å; R215-F217 HydrophobicContact CB-CE2 3.87Å; R215-F217 HydrophobicContact CG-CE2 4.5Å; R215-F217 PolarHBondContact O-N 3.29Å |
| 216 | H | 26.6 | Very low | 27.6 | Very low | 149 Ų | 149 | 124 Ų | 124 | 69% | 0.69 | 69% | 0.686 | S | S | * | * | | | trans | -66 | 86.7 | 167.9 | -82.1 | -75 | 0 | 0 | 0 | 108 | T214 I218 | T214-H216 VanDerWaalsContact C-N 3.31Å; T214-H216 PolarHBondContact O-N 2.93Å; H216-I218 PolarHBondContact O-N 2.89Å |
| 217 | F | 24 | Very low | 27.8 | Very low | 170 Ų | 170 | 126.9 Ų | 126.9 | 75% | 0.746 | 70% | 0.695 | S | S | * | * | | | trans | -76.6 | 96.2 | 157.4 | -78.5 | -82.8 | 0 | 0 | 0 | 106.4 | R215 G219 | R215-F217 HydrophobicContact CB-CD2 3.91Å; R215-F217 HydrophobicContact CB-CE2 3.87Å; R215-F217 HydrophobicContact CG-CE2 4.5Å; R215-F217 PolarHBondContact O-N 3.29Å; F217-G219 PolarHBondContact O-N 2.99Å |
| 218 | I | 25.8 | Very low | 27.7 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | | | trans | -74 | 90.1 | 160.6 | -60.9 | 171.5 | 0 | 0 | 0 | 105.2 | H216 M220 | H216-I218 PolarHBondContact O-N 2.89Å; I218-M220 HydrophobicContact CG2-CG 4.26Å; I218-M220 PolarHBondContact O-N 3.35Å |
| 219 | G | 21.9 | Very low | 28.2 | Very low | 60 Ų | 60 | 132 Ų | 132 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | | | trans | -69.6 | 96.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | F217 N221 | F217-G219 PolarHBondContact O-N 2.99Å; G219-N221 PolarHBondContact O-N 3.48Å; G219-N221 VanDerWaalsContact O-N 3.13Å |
| 220 | M | 24.9 | Very low | 28.4 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 71% | 0.709 | 70% | 0.703 | S | S | * | * | | | trans | -73.5 | 96.9 | 162.2 | -78.5 | 179.6 | 66.6 | 0 | 0 | 107.5 | I218 T222 | I218-M220 HydrophobicContact CG2-CG 4.26Å; I218-M220 PolarHBondContact O-N 3.35Å; M220-T222 VanDerWaalsContact C-N 3.25Å; M220-T222 HydrophobicContact CE-CG2 4.32Å; M220-T222 PolarHBondContact O-N 2.96Å |
| 221 | N | 22.4 | Very low | 28.6 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | | | trans | -70.7 | 86.5 | 165.2 | -72.8 | -5 | 0 | 0 | 0 | 108.1 | G219 | G219-N221 PolarHBondContact O-N 3.48Å; G219-N221 VanDerWaalsContact O-N 3.13Å |
| 222 | T | 25.3 | Very low | 28.9 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 50% | 0.503 | 70% | 0.702 | S | S | . | * | | | trans | -118.5 | 94.7 | 165.8 | 55.6 | 0 | 0 | 0 | 0 | 108.1 | M220 T224 | M220-T222 VanDerWaalsContact C-N 3.25Å; M220-T222 HydrophobicContact CE-CG2 4.32Å; M220-T222 PolarHBondContact O-N 2.96Å; T222-T224 PolarHBondContact O-N 3.39Å |
| 223 | T | 35.2 | Very low | 29.1 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 90% | 0.896 | 69% | 0.693 | S | S | * | * | | | trans | -78.7 | 10.4 | 175.4 | 40.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 224 | T | 28.5 | Very low | 29.1 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 64% | 0.644 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -134.8 | 114.3 | 176.2 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | T222 E226 | T222-T224 PolarHBondContact O-N 3.39Å; T224-E226 PolarHBondContact O-N 3.4Å |
| 225 | N | 33.3 | Very low | 29.3 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 89% | 0.888 | 69% | 0.692 | S | S | * | * | | | trans | -71.3 | 43.7 | -179.1 | -95.1 | -17.8 | 0 | 0 | 0 | 113.5 | | |
| 226 | E | 27.7 | Very low | 29.5 | Very low | 159 Ų | 159 | 126.2 Ų | 126.2 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | | | trans | -122.3 | 76 | 170.3 | -70.8 | -166.6 | -179.6 | 0 | 0 | 109.6 | T224 K228 | T224-E226 PolarHBondContact O-N 3.4Å; E226-K228 PolarHBondContact O-N 2.97Å |
| 227 | I | 34 | Very low | 29.6 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 62% | 0.621 | 68% | 0.675 | S | S | * | * | | | trans | -66.5 | 89.2 | 166 | -58.5 | 174.1 | 0 | 0 | 0 | 106.7 | S229 L232 | I227-S229 PolarHBondContact O-N 3.48Å; I227-L232 HydrophobicContact CG2-CD1 3.67Å |
| 228 | K | 29.2 | Very low | 30.2 | Very low | 154 Ų | 154 | 122 Ų | 122 | 67% | 0.67 | 67% | 0.673 | S | S | * | * | | | trans | -57.4 | 111.6 | 160.2 | -75 | -178.3 | 179.6 | 175.7 | 0 | 106.6 | E226 S230 N231 | E226-K228 PolarHBondContact O-N 2.97Å; K228-S230 PolarHBondContact O-N 3.43Å; K228-N231 PolarHBondContact O-N 2.73Å |
| 229 | S | 39.2 | Very low | 30.3 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -2.6 | -177.7 | 52.6 | 0 | 0 | 0 | 0 | 114.7 | I227 N231 | I227-S229 PolarHBondContact O-N 3.48Å; S229-N231 VanDerWaalsContact C-N 3.35Å; S229-N231 PolarHBondContact O-N 2.73Å |
| 230 | S | 31.4 | Very low | 30.6 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | -21.5 | 175.5 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | K228 T233 | K228-S230 PolarHBondContact O-N 3.43Å; S230-T233 PolarHBondContact O-OG1 3.2Å |
| 231 | N | 31 | Very low | 30.7 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 65% | 0.652 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -18 | 177.5 | -71.9 | -23.5 | 0 | 0 | 0 | 113.4 | K228 S229 | K228-N231 PolarHBondContact O-N 2.73Å; S229-N231 VanDerWaalsContact C-N 3.35Å; S229-N231 PolarHBondContact O-N 2.73Å |
| 232 | L | 36.4 | Very low | 31 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 58% | 0.576 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.1 | -30 | 178.9 | -123.1 | 98.1 | 0 | 0 | 0 | 112.6 | I227 R234 L235 S236 | I227-L232 HydrophobicContact CG2-CD1 3.67Å; L232-R234 VanDerWaalsContact C-N 3.29Å; L232-R234 PolarHBondContact O-N 3.33Å; L232-L235 PolarHBondContact O-N 3.34Å; L232-S236 PolarHBondContact O-N 3.13Å |
| 233 | T | 28.7 | Very low | 30.9 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 58% | 0.583 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -66.8 | -28.6 | -179.8 | 28.9 | 0 | 0 | 0 | 0 | 112.8 | S230 S236 | S230-T233 PolarHBondContact O-OG1 3.2Å; T233-S236 PolarHBondContact O-OG 3.05Å |
| 234 | R | 32.3 | Very low | 30.4 | Very low | 215 Ų | 215 | 126.2 Ų | 126.2 | 81% | 0.811 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -73.4 | -24.9 | 175 | -76.8 | -171 | 179.4 | -177.9 | 1.4 | 114.2 | L232 S237 | L232-R234 VanDerWaalsContact C-N 3.29Å; L232-R234 PolarHBondContact O-N 3.33Å; R234-S237 PolarHBondContact O-OG 3.18Å |
| 235 | L | 32.1 | Very low | 30.2 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 60% | 0.597 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -95.9 | -21.7 | 178.1 | -74.5 | 165 | 0 | 0 | 0 | 112.8 | L232 S237 L238 N239 | L232-L235 PolarHBondContact O-N 3.34Å; L235-S237 PolarHBondContact O-N 3.48Å; L235-L238 PolarHBondContact O-N 2.75Å; L235-N239 PolarHBondContact O-N 2.93Å |
| 236 | S | 28.8 | Very low | 29.7 | Very low | 64 Ų | 64 | 130.6 Ų | 130.6 | 45% | 0.448 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -60.5 | -30.1 | 175.2 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | L232 T233 L238 N239 | L232-S236 PolarHBondContact O-N 3.13Å; T233-S236 PolarHBondContact O-OG 3.05Å; S236-L238 VanDerWaalsContact C-N 3.27Å; S236-L238 PolarHBondContact O-N 2.65Å; S236-N239 PolarHBondContact O-N 3.09Å |
| 237 | S | 29.8 | Very low | 29.6 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -17.4 | 178.5 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | R234 L235 | R234-S237 PolarHBondContact O-OG 3.18Å; L235-S237 PolarHBondContact O-N 3.48Å |
| 238 | L | 35.6 | Very low | 29.1 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 71% | 0.707 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -10.7 | 173.6 | -70 | 173.3 | 0 | 0 | 0 | 112.8 | L235 S236 | L235-L238 PolarHBondContact O-N 2.75Å; S236-L238 VanDerWaalsContact C-N 3.27Å; S236-L238 PolarHBondContact O-N 2.65Å |
| 239 | N | 29.5 | Very low | 28.9 | Very low | 70 Ų | 70 | 131 Ų | 131 | 37% | 0.374 | 67% | 0.674 | S | S | . | * | | | trans | -101.8 | 1.3 | -168 | -92.9 | -5.2 | 0 | 0 | 0 | 115.6 | L235 S236 N241 L242 | L235-N239 PolarHBondContact O-N 2.93Å; S236-N239 PolarHBondContact O-N 3.09Å; N239-N241 PolarHBondContact O-N 3.26Å; N239-L242 PolarHBondContact O-N 3.18Å; N239-L242 VanDerWaalsContact O-N 3.09Å |
| 240 | E | 26.6 | Very low | 28.1 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -20.1 | 178.6 | -72.4 | -158.1 | 163.4 | 0 | 0 | 113.5 | | |
| 241 | N | 28.1 | Very low | 27.8 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 88% | 0.882 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 0.3 | 175.1 | -70.2 | -36 | 0 | 0 | 0 | 115.2 | N239 | N239-N241 PolarHBondContact O-N 3.26Š|
| 242 | L | 27.2 | Very low | 27.5 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 59% | 0.592 | 70% | 0.701 | S | S | * | * | | | trans | -130.2 | 90.8 | 179.8 | -97.9 | 137.1 | 0 | 0 | 0 | 109.4 | N239 I244 | N239-L242 PolarHBondContact O-N 3.18Å; N239-L242 VanDerWaalsContact O-N 3.09Å; L242-I244 VanDerWaalsContact C-N 3.25Å; L242-I244 HydrophobicContact CB-CG1 4.39Å; L242-I244 PolarHBondContact O-N 2.98Å |
| 243 | K | 24.2 | Very low | 27 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | | | trans | -66.3 | 86.3 | 166 | -86 | 178.8 | 166 | -168.8 | 0 | 109.4 | Y245 | K243-Y245 HydrophobicContact CB-CD2 4.32Å; K243-Y245 HydrophobicContact CB-CE2 3.86Å; K243-Y245 HydrophobicContact CD-CE2 4.07Å; K243-Y245 WeakPolarHBondContact CD-OH 3.13Å; K243-Y245 HydrophobicContact CG-CE2 4.43Å; K243-Y245 PolarHBondContact NZ-OH 2.88Å; K243-Y245 PolarHBondContact O-N 3.17Å |
| 244 | I | 25.5 | Very low | 26.8 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 62% | 0.621 | 72% | 0.715 | S | S | * | * | | | trans | -81.7 | 100.2 | 169.7 | -57.1 | 171.9 | 0 | 0 | 0 | 106.8 | L242 | L242-I244 VanDerWaalsContact C-N 3.25Å; L242-I244 HydrophobicContact CB-CG1 4.39Å; L242-I244 PolarHBondContact O-N 2.98Å |
| 245 | Y | 22.9 | Very low | 26.6 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | | | trans | -80.6 | 129.1 | 172.1 | -68.1 | -79.3 | 0 | 0 | 0 | 110.1 | K243 L247 | K243-Y245 HydrophobicContact CB-CD2 4.32Å; K243-Y245 HydrophobicContact CB-CE2 3.86Å; K243-Y245 HydrophobicContact CD-CE2 4.07Å; K243-Y245 WeakPolarHBondContact CD-OH 3.13Å; K243-Y245 HydrophobicContact CG-CE2 4.43Å; K243-Y245 PolarHBondContact NZ-OH 2.88Å; K243-Y245 PolarHBondContact O-N 3.17Å; Y245-L247 PolarHBondContact O-N 3.27Å |
| 246 | H | 23.1 | Very low | 26.2 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 88% | 0.88 | 73% | 0.728 | S | S | * | * | | | trans | -62.2 | 115.5 | 176.2 | -109.1 | -93.6 | 0 | 0 | 0 | 110.5 | K248 | H246-K248 PolarHBondContact O-N 3.29Š|
| 247 | L | 26.8 | Very low | 26 | Very low | 170 Ų | 170 | 143 Ų | 143 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | | | trans | -78.7 | 116.9 | 167.5 | -157.6 | 74.5 | 0 | 0 | 0 | 108.3 | Y245 S249 | Y245-L247 PolarHBondContact O-N 3.27Å; L247-S249 PolarHBondContact O-N 3.07Å |
| 248 | K | 23.2 | Very low | 25.8 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | | | trans | -65.3 | 101.9 | 178.1 | -130.9 | 176.1 | -177.5 | -178.7 | 0 | 108.4 | H246 H250 | H246-K248 PolarHBondContact O-N 3.29Å; K248-H250 PolarHBondContact O-N 3.46Å |
| 249 | S | 24.4 | Very low | 25.3 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 56% | 0.559 | 75% | 0.752 | S | S | * | * | | | trans | -72.3 | 112.1 | 173.2 | 63.6 | 0 | 0 | 0 | 0 | 108.7 | L247 Y251 | L247-S249 PolarHBondContact O-N 3.07Å; S249-Y251 PolarHBondContact O-N 3.44Å; S249-Y251 WeakPolarHBondContact OG-CE2 3.4Å |
| 250 | H | 23.5 | Very low | 25.1 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | trans | -65.6 | 104.1 | 164.3 | -79.8 | -88.8 | 0 | 0 | 0 | 107.8 | K248 S252 | K248-H250 PolarHBondContact O-N 3.46Å; H250-S252 PolarHBondContact O-N 3.11Å |
| 251 | Y | 23.4 | Very low | 25 | Very low | 212 Ų | 212 | 143 Ų | 143 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | | | trans | -68 | 108.1 | 163.5 | -78.3 | -93.6 | 0 | 0 | 0 | 107.1 | S249 | S249-Y251 PolarHBondContact O-N 3.44Å; S249-Y251 WeakPolarHBondContact OG-CE2 3.4Å |
| 252 | S | 25.3 | Very low | 24.8 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | -106.3 | 110.1 | 160.1 | 56.6 | 0 | 0 | 0 | 0 | 107.4 | H250 | H250-S252 PolarHBondContact O-N 3.11Š|
| 253 | D | 26.6 | Very low | 24.7 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | | | trans | -51.9 | 147.1 | 173 | -70.1 | -43.5 | 0 | 0 | 0 | 112.2 | | |
| 254 | G | 24.8 | Very low | 24.6 | Very low | 67 Ų | 67 | 144.2 Ų | 144.2 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 70.9 | 107 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 255 | S | 27.4 | Very low | 24.5 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | 61.4 | 69.6 | 146.7 | 70 | 0 | 0 | 0 | 0 | 118.6 | | |
| 256 | A | 24 | Very low | 24.5 | Very low | 100 Ų | 100 | 141 Ų | 141 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | trans | -156.3 | 68.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | N258 | A256-N258 PolarHBondContact O-N 3.17Š|
| 257 | Y | 23.9 | Very low | 24.5 | Very low | 214 Ų | 214 | 137.5 Ų | 137.5 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -61.4 | 124.1 | 159.1 | -84.4 | -87.7 | 0 | 0 | 0 | 108.2 | | |
| 258 | N | 25.2 | Very low | 24.5 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 55.7 | 99.3 | 150.9 | -56.9 | -27.1 | 0 | 0 | 0 | 116.6 | A256 | A256-N258 PolarHBondContact O-N 3.17Š|
| 259 | T | 25.3 | Very low | 24.5 | Very low | 126 Ų | 126 | 135 Ų | 135 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | | 176.9 | 136.6 | 110.8 | 22.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 260 | D | 26.1 | Very low | 24.5 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | | | trans | 62.2 | 111.7 | 156.8 | -54.6 | -28.8 | 0 | 0 | 0 | 118.9 | | |
| 261 | G | 24.4 | Very low | 24.5 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | | | trans | 127.6 | 90 | 149.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 262 | N | 24.4 | Very low | 24.8 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | | 161.4 | 75.5 | 121.4 | -84.4 | -12 | 0 | 0 | 0 | 110.2 | S264 | N262-S264 PolarHBondContact O-N 3.02Š|
| 263 | Y | 23.9 | Very low | 25 | Very low | 250 Ų | 250 | 132.8 Ų | 132.8 | 98% | 0.98 | 78% | 0.782 | S | S | * | * | | | trans | -85.9 | 68.8 | 141.8 | -73.3 | -83.2 | 0 | 0 | 0 | 107 | | |
| 264 | S | 22.3 | Very low | 25 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 57% | 0.566 | 78% | 0.782 | S | S | * | * | | | trans | -117.1 | 108.2 | 174.8 | -66.5 | 0 | 0 | 0 | 0 | 108.1 | N262 | N262-S264 PolarHBondContact O-N 3.02Š|
| 265 | S | 23.6 | Very low | 25.1 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -6.2 | 120.8 | 148.4 | 52.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 266 | C | 23.9 | Very low | 25.2 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -169.4 | 102.2 | 146.8 | -92 | 0 | 0 | 0 | 0 | 106.3 | | |
| 267 | T | 22.6 | Very low | 25.2 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | | | | 77.5 | 111.7 | 86.5 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 268 | E | 26.1 | Very low | 25.5 | Very low | 195 Ų | 195 | 133.4 Ų | 133.4 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | | | trans | 27.9 | 96.4 | 148.1 | -69.6 | 174.1 | 162.3 | 0 | 0 | 116.9 | | |
| 269 | S | 23 | Very low | 25.5 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -126.2 | 91.4 | 150.3 | -58.8 | 0 | 0 | 0 | 0 | 107.2 | S271 | S269-S271 PolarHBondContact O-N 3.29Š|
| 270 | S | 25.2 | Very low | 25.6 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | | | trans | -56.2 | 106.3 | 166.2 | 52.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 271 | S | 24.3 | Very low | 25.9 | Very low | 86 Ų | 86 | 134.6 Ų | 134.6 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | | | trans | -138.2 | 133.2 | 148 | 58 | 0 | 0 | 0 | 0 | 106.3 | S269 L273 | S269-S271 PolarHBondContact O-N 3.29Å; S271-L273 PolarHBondContact O-N 3.16Å |
| 272 | I | 29.2 | Very low | 26.3 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | | | trans | -61.2 | 84.1 | -177.8 | -63.7 | 156.6 | 0 | 0 | 0 | 107.4 | | |
| 273 | L | 29.9 | Very low | 26.7 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | trans | -101.7 | 103.7 | 167.2 | -89.1 | 156.9 | 0 | 0 | 0 | 104 | S271 D275 | S271-L273 PolarHBondContact O-N 3.16Å; L273-D275 PolarHBondContact O-N 3.28Å; L273-D275 VanDerWaalsContact O-N 3.13Å |
| 274 | D | 25.9 | Very low | 27.1 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | | | trans | -38.7 | 124.1 | 164.5 | -75.4 | -44 | 0 | 0 | 0 | 107.9 | I276 | D274-I276 PolarHBondContact O-N 3.15Š|
| 275 | D | 25.8 | Very low | 27.7 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | | | trans | -59.2 | 73.9 | -169.8 | -157 | 1.3 | 0 | 0 | 0 | 110.5 | L273 S277 | L273-D275 PolarHBondContact O-N 3.28Å; L273-D275 VanDerWaalsContact O-N 3.13Å; D275-S277 PolarHBondContact O-N 3.42Å; D275-S277 WeakPolarHBondContact OD1-CB 3.22Å |
| 276 | I | 29.3 | Very low | 28.5 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 70% | 0.697 | 71% | 0.705 | S | S | * | * | | | trans | -77.8 | 64.3 | 157.5 | -48.1 | 173.8 | 0 | 0 | 0 | 104.6 | D274 N278 | D274-I276 PolarHBondContact O-N 3.15Å; I276-N278 PolarHBondContact O-N 3.03Å |
| 277 | S | 25.9 | Very low | 29.3 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 52% | 0.524 | 69% | 0.688 | S | S | . | * | | | trans | -51.3 | 95.9 | 155.8 | 145.7 | 0 | 0 | 0 | 0 | 105.5 | D275 G279 | D275-S277 PolarHBondContact O-N 3.42Å; D275-S277 WeakPolarHBondContact OD1-CB 3.22Å; S277-G279 PolarHBondContact O-N 2.92Å; S277-G279 WeakPolarHBondContact OG-CA 3.4Å; S277-G279 PolarHBondContact OG-N 3.29Å |
| 278 | N | 29.5 | Very low | 30.2 | Very low | 156 Ų | 156 | 128 Ų | 128 | 83% | 0.834 | 68% | 0.677 | S | S | * | * | | | trans | -63.2 | 15.3 | 153.5 | -76.7 | -10.8 | 0 | 0 | 0 | 110.9 | I276 Y280 | I276-N278 PolarHBondContact O-N 3.03Å; N278-Y280 PolarHBondContact O-N 3.49Å |
| 279 | G | 25.1 | Very low | 30.9 | Very low | 34 Ų | 34 | 121 Ų | 121 | 35% | 0.351 | 65% | 0.652 | S | S | . | * | | | trans | -55.4 | 126.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | S277 Y281 | S277-G279 PolarHBondContact O-N 2.92Å; S277-G279 WeakPolarHBondContact OG-CA 3.4Å; S277-G279 PolarHBondContact OG-N 3.29Å; G279-Y281 PolarHBondContact O-N 2.94Å |
| 280 | Y | 26.8 | Very low | 31.8 | Very low | 222 Ų | 222 | 119.6 Ų | 119.6 | 87% | 0.871 | 64% | 0.638 | S | S | * | * | | | trans | 0.5 | 110.5 | 157.4 | -54.9 | -87.9 | 0 | 0 | 0 | 112.2 | N278 S282 | N278-Y280 PolarHBondContact O-N 3.49Å; Y280-S282 PolarHBondContact O-N 3.41Å |
| 281 | Y | 32.1 | Very low | 32.8 | Very low | 187 Ų | 187 | 119.9 Ų | 119.9 | 73% | 0.733 | 62% | 0.623 | S | S | * | * | | | trans | -60.6 | 83.2 | 156.4 | -73.5 | -78 | 0 | 0 | 0 | 106 | G279 Y285 | G279-Y281 PolarHBondContact O-N 2.94Å; Y281-Y285 AromaticContact CD1-CD1 3.79Å; Y281-Y285 HydrophobicContact CD1-CD1 3.79Å; Y281-Y285 AromaticContact CD1-CD2 3.71Å; Y281-Y285 HydrophobicContact CD1-CD2 3.71Å; Y281-Y285 HydrophobicContact CD1-CE1 4.29Å; Y281-Y285 HydrophobicContact CD1-CE2 4.22Å; Y281-Y285 AromaticContact CD1-CG 3.47Å; Y281-Y285 HydrophobicContact CD1-CG 3.47Å; Y281-Y285 VanDerWaalsContact CD1-CG 3.47Å; Y281-Y285 HydrophobicContact CE1-CD1 4.05Å; Y281-Y285 AromaticContact CE1-CD2 3.8Å; Y281-Y285 HydrophobicContact CE1-CD2 3.8Å; Y281-Y285 HydrophobicContact CE1-CE1 4.06Å; Y281-Y285 AromaticContact CE1-CE2 3.83Å; Y281-Y285 HydrophobicContact CE1-CE2 3.83Å; Y281-Y285 AromaticContact CE1-CG 3.92Å; Y281-Y285 HydrophobicContact CE1-CG 3.92Å; Y281-Y285 AromaticContact CE1-CZ 3.96Å |
| 282 | S | 32.6 | Very low | 33.9 | Very low | 62 Ų | 62 | 122.6 Ų | 122.6 | 43% | 0.434 | 62% | 0.624 | S | S | . | * | | | trans | -57.2 | 154.3 | 171.4 | 58.5 | 0 | 0 | 0 | 0 | 107.2 | Y280 N284 Y285 | Y280-S282 PolarHBondContact O-N 3.41Å; S282-N284 PolarHBondContact O-N 2.71Å; S282-N284 PolarHBondContact OG-ND2 3.3Å; S282-Y285 PolarHBondContact O-N 3.42Å |
| 283 | D | 34.1 | Very low | 34.6 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 68% | 0.684 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.7 | -21.6 | 178.3 | -61.4 | -32.6 | 0 | 0 | 0 | 113.4 | Y285 L286 I287 | D283-Y285 VanDerWaalsContact C-N 3.3Å; D283-Y285 PolarHBondContact O-N 2.89Å; D283-L286 PolarHBondContact O-N 3.49Å; D283-I287 WeakPolarHBondContact O-CG1 3.45Å; D283-I287 PolarHBondContact O-N 2.95Å; D283-I287 VanDerWaalsContact O-N 3.1Å |
| 284 | N | 32.7 | Very low | 35.5 | Very low | 103 Ų | 103 | 120.5 Ų | 120.5 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56.1 | -30.9 | 170.9 | -64.5 | -35.1 | 0 | 0 | 0 | 115 | S282 I287 E288 | S282-N284 PolarHBondContact O-N 2.71Å; S282-N284 PolarHBondContact OG-ND2 3.3Å; N284-I287 PolarHBondContact O-N 3.27Å; N284-E288 VanDerWaalsContact O-CB 3.28Å; N284-E288 WeakPolarHBondContact O-CB 3.48Å; N284-E288 WeakPolarHBondContact O-CG 3.28Å; N284-E288 PolarHBondContact O-N 2.97Å |
| 285 | Y | 33.5 | Very low | 36.5 | Very low | 144 Ų | 144 | 121.4 Ų | 121.4 | 57% | 0.565 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.9 | -37.3 | 178.4 | -166 | -94.2 | 0 | 0 | 0 | 112 | Y281 S282 D283 E288 A289 | Y281-Y285 AromaticContact CD1-CD1 3.79Å; Y281-Y285 HydrophobicContact CD1-CD1 3.79Å; Y281-Y285 AromaticContact CD1-CD2 3.71Å; Y281-Y285 HydrophobicContact CD1-CD2 3.71Å; Y281-Y285 HydrophobicContact CD1-CE1 4.29Å; Y281-Y285 HydrophobicContact CD1-CE2 4.22Å; Y281-Y285 AromaticContact CD1-CG 3.47Å; Y281-Y285 HydrophobicContact CD1-CG 3.47Å; Y281-Y285 VanDerWaalsContact CD1-CG 3.47Å; Y281-Y285 HydrophobicContact CE1-CD1 4.05Å; Y281-Y285 AromaticContact CE1-CD2 3.8Å; Y281-Y285 HydrophobicContact CE1-CD2 3.8Å; Y281-Y285 HydrophobicContact CE1-CE1 4.06Å; Y281-Y285 AromaticContact CE1-CE2 3.83Å; Y281-Y285 HydrophobicContact CE1-CE2 3.83Å; Y281-Y285 AromaticContact CE1-CG 3.92Å; Y281-Y285 HydrophobicContact CE1-CG 3.92Å; Y281-Y285 AromaticContact CE1-CZ 3.96Å; S282-Y285 PolarHBondContact O-N 3.42Å; D283-Y285 VanDerWaalsContact C-N 3.3Å; D283-Y285 PolarHBondContact O-N 2.89Å; Y285-E288 PolarHBondContact O-N 3.06Å; Y285-A289 VanDerWaalsContact O-CB 3.24Å; Y285-A289 WeakPolarHBondContact O-CB 3.49Å; Y285-A289 PolarHBondContact O-N 3.25Å |
| 286 | L | 41.4 | Very low | 37.2 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 64% | 0.644 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.4 | -40.7 | 171.5 | -95.4 | 152.1 | 0 | 0 | 0 | 110.7 | D283 A289 V290 | D283-L286 PolarHBondContact O-N 3.49Å; L286-A289 PolarHBondContact O-N 3.28Å; L286-V290 WeakPolarHBondContact O-CB 3.4Å; L286-V290 VanDerWaalsContact O-CG2 3.22Å; L286-V290 WeakPolarHBondContact O-CG2 3.45Å; L286-V290 PolarHBondContact O-N 2.89Å |
| 287 | I | 40.2 | Very low | 37.9 | Very low | 83 Ų | 83 | 115.5 Ų | 115.5 | 43% | 0.426 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.1 | -41.8 | 175.4 | -64.2 | 167.1 | 0 | 0 | 0 | 111.1 | D283 N284 V290 K291 | D283-I287 WeakPolarHBondContact O-CG1 3.45Å; D283-I287 PolarHBondContact O-N 2.95Å; D283-I287 VanDerWaalsContact O-N 3.1Å; N284-I287 PolarHBondContact O-N 3.27Å; I287-V290 PolarHBondContact O-N 2.84Å; I287-K291 HydrophobicContact CG2-CD 4.11Å; I287-K291 HydrophobicContact CG2-CG 4.43Å; I287-K291 VanDerWaalsContact O-CB 3.29Å; I287-K291 WeakPolarHBondContact O-CB 3.5Å; I287-K291 VanDerWaalsContact O-CG 3.25Å; I287-K291 WeakPolarHBondContact O-CG 3.43Å; I287-K291 PolarHBondContact O-N 3.22Å |
| 288 | E | 41.4 | Very low | 38.6 | Very low | 101 Ų | 101 | 116.4 Ų | 116.4 | 47% | 0.472 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.9 | -43.6 | 173.3 | -90.1 | -85 | 136 | 0 | 0 | 111.6 | N284 Y285 K291 K292 | N284-E288 VanDerWaalsContact O-CB 3.28Å; N284-E288 WeakPolarHBondContact O-CB 3.48Å; N284-E288 WeakPolarHBondContact O-CG 3.28Å; N284-E288 PolarHBondContact O-N 2.97Å; Y285-E288 PolarHBondContact O-N 3.06Å; E288-K291 PolarHBondContact O-N 2.98Å; E288-K292 WeakPolarHBondContact O-CB 3.47Å; E288-K292 PolarHBondContact O-N 2.87Å |
| 289 | A | 41.5 | Very low | 39 | Very low | 47 Ų | 47 | 113 Ų | 113 | 39% | 0.388 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y285 L286 K292 M293 | Y285-A289 VanDerWaalsContact O-CB 3.24Å; Y285-A289 WeakPolarHBondContact O-CB 3.49Å; Y285-A289 PolarHBondContact O-N 3.25Å; L286-A289 PolarHBondContact O-N 3.28Å; A289-K292 PolarHBondContact O-N 3.35Å; A289-M293 VanDerWaalsContact O-CB 3.28Å; A289-M293 WeakPolarHBondContact O-CB 3.42Å; A289-M293 PolarHBondContact O-N 3.33Å |
| 290 | V | 41.6 | Very low | 39.7 | Very low | 84 Ų | 84 | 115.8 Ų | 115.8 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.9 | -40.1 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L286 I287 M293 K294 | L286-V290 WeakPolarHBondContact O-CB 3.4Å; L286-V290 VanDerWaalsContact O-CG2 3.22Å; L286-V290 WeakPolarHBondContact O-CG2 3.45Å; L286-V290 PolarHBondContact O-N 2.89Å; I287-V290 PolarHBondContact O-N 2.84Å; V290-M293 PolarHBondContact O-N 2.89Å; V290-K294 WeakPolarHBondContact O-CB 3.46Å; V290-K294 PolarHBondContact O-N 3.32Å |
| 291 | K | 45.9 | Very low | 40.3 | Very low | 135 Ų | 135 | 108.3 Ų | 108.3 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 174.2 | -79.4 | 176.3 | -179.8 | 176.8 | 0 | 111.8 | I287 E288 K294 K295 | I287-K291 HydrophobicContact CG2-CD 4.11Å; I287-K291 HydrophobicContact CG2-CG 4.43Å; I287-K291 VanDerWaalsContact O-CB 3.29Å; I287-K291 WeakPolarHBondContact O-CB 3.5Å; I287-K291 VanDerWaalsContact O-CG 3.25Å; I287-K291 WeakPolarHBondContact O-CG 3.43Å; I287-K291 PolarHBondContact O-N 3.22Å; E288-K291 PolarHBondContact O-N 2.98Å; K291-K294 PolarHBondContact O-N 3.32Å; K291-K295 PolarHBondContact O-N 2.75Å |
| 292 | K | 47.3 | Very low | 40.3 | Very low | 143 Ų | 143 | 105.7 Ų | 105.7 | 62% | 0.622 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -41.6 | 173.7 | -85.4 | -177.8 | 178.7 | 173.3 | 0 | 111.4 | E288 A289 K294 K295 S296 | E288-K292 WeakPolarHBondContact O-CB 3.47Å; E288-K292 PolarHBondContact O-N 2.87Å; A289-K292 PolarHBondContact O-N 3.35Å; K292-K294 VanDerWaalsContact C-N 3.33Å; K292-K294 PolarHBondContact O-N 2.9Å; K292-K295 WeakPolarHBondContact O-CB 3.2Å; K292-K295 PolarHBondContact O-N 2.84Å; K292-S296 PolarHBondContact O-N 3.04Å |
| 293 | M | 44.9 | Very low | 40.1 | Very low | 124 Ų | 124 | 109.8 Ų | 109.8 | 61% | 0.611 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -37.4 | 174.5 | -166.2 | -171.4 | 78.3 | 0 | 0 | 111.7 | A289 V290 K295 S296 H297 | A289-M293 VanDerWaalsContact O-CB 3.28Å; A289-M293 WeakPolarHBondContact O-CB 3.42Å; A289-M293 PolarHBondContact O-N 3.33Å; V290-M293 PolarHBondContact O-N 2.89Å; M293-K295 VanDerWaalsContact C-N 3.34Å; M293-K295 PolarHBondContact O-N 3.08Å; M293-S296 WeakPolarHBondContact CA-OG 3.43Å; M293-S296 PolarHBondContact O-N 2.83Å; M293-S296 PolarHBondContact O-OG 2.92Å; M293-H297 WeakPolarHBondContact O-CB 3.36Å; M293-H297 PolarHBondContact O-N 3.47Å |
| 294 | K | 47.8 | Very low | 40.1 | Very low | 154 Ų | 154 | 108.5 Ų | 108.5 | 67% | 0.67 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.9 | -37.6 | 173.8 | -162.1 | 174.5 | -177.2 | 178.5 | 0 | 111.4 | V290 K291 K292 H297 V298 | V290-K294 WeakPolarHBondContact O-CB 3.46Å; V290-K294 PolarHBondContact O-N 3.32Å; K291-K294 PolarHBondContact O-N 3.32Å; K292-K294 VanDerWaalsContact C-N 3.33Å; K292-K294 PolarHBondContact O-N 2.9Å; K294-H297 PolarHBondContact O-N 3.48Å; K294-V298 WeakPolarHBondContact O-CG2 3.48Å; K294-V298 PolarHBondContact O-N 3.42Å; K294-V298 VanDerWaalsContact O-N 3.1Å |
| 295 | K | 46.8 | Very low | 40.2 | Very low | 159 Ų | 159 | 107.7 Ų | 107.7 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.8 | -38.2 | 174.8 | -148.2 | 175 | -174.1 | -179.9 | 0 | 111.9 | K291 K292 M293 I299 | K291-K295 PolarHBondContact O-N 2.75Å; K292-K295 WeakPolarHBondContact O-CB 3.2Å; K292-K295 PolarHBondContact O-N 2.84Å; M293-K295 VanDerWaalsContact C-N 3.34Å; M293-K295 PolarHBondContact O-N 3.08Å; K295-I299 WeakPolarHBondContact O-CG1 3.31Å; K295-I299 PolarHBondContact O-N 3.26Å |
| 296 | S | 39.7 | Very low | 40.1 | Very low | 54 Ų | 54 | 105.5 Ų | 105.5 | 38% | 0.378 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.9 | -28.3 | 173 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | K292 M293 I299 N300 | K292-S296 PolarHBondContact O-N 3.04Å; M293-S296 WeakPolarHBondContact CA-OG 3.43Å; M293-S296 PolarHBondContact O-N 2.83Å; M293-S296 PolarHBondContact O-OG 2.92Å; S296-I299 WeakPolarHBondContact O-CB 3.28Å; S296-I299 PolarHBondContact O-N 3.38Å; S296-N300 WeakPolarHBondContact O-CB 3.18Å; S296-N300 PolarHBondContact O-N 3.34Å |
| 297 | H | 44.9 | Very low | 39.8 | Very low | 107 Ų | 107 | 107.1 Ų | 107.1 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 173.3 | -167.2 | 57.6 | 0 | 0 | 0 | 112 | M293 K294 I299 N300 N301 | M293-H297 WeakPolarHBondContact O-CB 3.36Å; M293-H297 PolarHBondContact O-N 3.47Å; K294-H297 PolarHBondContact O-N 3.48Å; H297-I299 VanDerWaalsContact C-N 3.28Å; H297-I299 PolarHBondContact O-N 2.85Å; H297-N300 PolarHBondContact O-N 3.07Å; H297-N301 PolarHBondContact CD2-ND2 3.39Å; H297-N301 PolarHBondContact CE1-OD1 3.42Å; H297-N301 VanDerWaalsContact CE1-OD1 3.29Å; H297-N301 PolarHBondContact NE2-ND2 2.62Å; H297-N301 VanDerWaalsContact NE2-ND2 3.14Å; H297-N301 WeakPolarHBondContact O-CB 3.42Å; H297-N301 VanDerWaalsContact O-CG 3.24Å; H297-N301 PolarHBondContact O-N 3.36Å; H297-N301 PolarHBondContact O-OD1 2.84Å |
| 298 | V | 40.4 | Very low | 39.3 | Very low | 94 Ų | 94 | 111.2 Ų | 111.2 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.2 | -39.7 | 170.5 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | K294 Q302 | K294-V298 WeakPolarHBondContact O-CG2 3.48Å; K294-V298 PolarHBondContact O-N 3.42Å; K294-V298 VanDerWaalsContact O-N 3.1Å; V298-Q302 PolarHBondContact O-N 3.36Å |
| 299 | I | 37.7 | Very low | 38.7 | Very low | 85 Ų | 85 | 113.2 Ų | 113.2 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66 | -47 | 175.6 | -63.9 | 164.9 | 0 | 0 | 0 | 110.1 | K295 S296 H297 N301 Q302 W303 | K295-I299 WeakPolarHBondContact O-CG1 3.31Å; K295-I299 PolarHBondContact O-N 3.26Å; S296-I299 WeakPolarHBondContact O-CB 3.28Å; S296-I299 PolarHBondContact O-N 3.38Å; H297-I299 VanDerWaalsContact C-N 3.28Å; H297-I299 PolarHBondContact O-N 2.85Å; I299-N301 PolarHBondContact O-N 3.44Å; I299-Q302 VanDerWaalsContact O-CB 3.31Å; I299-Q302 WeakPolarHBondContact O-CB 3.47Å; I299-Q302 PolarHBondContact O-N 2.87Å; I299-W303 PolarHBondContact O-N 3.22Å; I299-W303 VanDerWaalsContact O-N 3.14Å |
| 300 | N | 40.8 | Very low | 38.1 | Very low | 93 Ų | 93 | 117 Ų | 117 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.3 | -33.4 | 179.7 | -82.6 | -9.2 | 0 | 0 | 0 | 113.9 | S296 H297 Q302 W303 Q304 | S296-N300 WeakPolarHBondContact O-CB 3.18Å; S296-N300 PolarHBondContact O-N 3.34Å; H297-N300 PolarHBondContact O-N 3.07Å; N300-Q302 VanDerWaalsContact C-N 3.34Å; N300-W303 WeakPolarHBondContact O-CB 3.31Å; N300-W303 PolarHBondContact O-N 3.48Å; N300-W303 VanDerWaalsContact O-N 3.13Å; N300-Q304 PolarHBondContact O-N 3.32Å |
| 301 | N | 38.3 | Very low | 37.5 | Very low | 64 Ų | 64 | 121.3 Ų | 121.3 | 34% | 0.342 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.3 | -30.6 | 175.2 | -67.2 | -4.7 | 0 | 0 | 0 | 111.5 | H297 I299 W303 Q304 T305 | H297-N301 PolarHBondContact CD2-ND2 3.39Å; H297-N301 PolarHBondContact CE1-OD1 3.42Å; H297-N301 VanDerWaalsContact CE1-OD1 3.29Å; H297-N301 PolarHBondContact NE2-ND2 2.62Å; H297-N301 VanDerWaalsContact NE2-ND2 3.14Å; H297-N301 WeakPolarHBondContact O-CB 3.42Å; H297-N301 VanDerWaalsContact O-CG 3.24Å; H297-N301 PolarHBondContact O-N 3.36Å; H297-N301 PolarHBondContact O-OD1 2.84Å; I299-N301 PolarHBondContact O-N 3.44Å; N301-W303 VanDerWaalsContact C-N 3.3Å; N301-W303 PolarHBondContact O-N 3.42Å; N301-Q304 PolarHBondContact O-N 3.37Å; N301-T305 PolarHBondContact O-N 3.15Å; N301-T305 VanDerWaalsContact O-N 3.14Å; N301-T305 PolarHBondContact O-OG1 3.22Å |
| 302 | Q | 33.2 | Very low | 36.5 | Very low | 133 Ų | 133 | 124 Ų | 124 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.8 | -35.4 | 166.8 | -107.6 | 180 | -6.1 | 0 | 0 | 111.9 | V298 I299 N300 T305 V306 | V298-Q302 PolarHBondContact O-N 3.36Å; I299-Q302 VanDerWaalsContact O-CB 3.31Å; I299-Q302 WeakPolarHBondContact O-CB 3.47Å; I299-Q302 PolarHBondContact O-N 2.87Å; N300-Q302 VanDerWaalsContact C-N 3.34Å; Q302-T305 PolarHBondContact O-OG1 3.44Å; Q302-V306 WeakPolarHBondContact O-CG2 3.1Å; Q302-V306 PolarHBondContact O-N 2.9Å |
| 303 | W | 27 | Very low | 35.4 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 56% | 0.557 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.2 | -34.8 | 176.1 | -70.1 | 105 | 0 | 0 | 0 | 113.5 | I299 N300 N301 V306 K307 | I299-W303 PolarHBondContact O-N 3.22Å; I299-W303 VanDerWaalsContact O-N 3.14Å; N300-W303 WeakPolarHBondContact O-CB 3.31Å; N300-W303 PolarHBondContact O-N 3.48Å; N300-W303 VanDerWaalsContact O-N 3.13Å; N301-W303 VanDerWaalsContact C-N 3.3Å; N301-W303 PolarHBondContact O-N 3.42Å; W303-V306 PolarHBondContact O-N 3.36Å; W303-K307 PolarHBondContact O-N 3.25Å |
| 304 | Q | 34.8 | Very low | 34.5 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 47% | 0.472 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.6 | -35.9 | 175.7 | -77.9 | -179 | -11.1 | 0 | 0 | 112.3 | N300 N301 V306 K307 Y308 | N300-Q304 PolarHBondContact O-N 3.32Å; N301-Q304 PolarHBondContact O-N 3.37Å; Q304-V306 VanDerWaalsContact C-N 3.27Å; Q304-V306 PolarHBondContact O-N 3.26Å; Q304-K307 PolarHBondContact O-N 2.9Å; Q304-Y308 PolarHBondContact O-N 3.26Å; Q304-Y308 VanDerWaalsContact O-N 3.12Å |
| 305 | T | 34.2 | Very low | 33.3 | Very low | 86 Ų | 86 | 122 Ų | 122 | 53% | 0.528 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.6 | -25.2 | 175.3 | 18.2 | 0 | 0 | 0 | 0 | 113.3 | N301 Q302 N309 | N301-T305 PolarHBondContact O-N 3.15Å; N301-T305 VanDerWaalsContact O-N 3.14Å; N301-T305 PolarHBondContact O-OG1 3.22Å; Q302-T305 PolarHBondContact O-OG1 3.44Å; T305-N309 PolarHBondContact O-ND2 3.11Å |
| 306 | V | 33.3 | Very low | 32.2 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 60% | 0.6 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -75.3 | -34.8 | 172.8 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | Q302 W303 Q304 | Q302-V306 WeakPolarHBondContact O-CG2 3.1Å; Q302-V306 PolarHBondContact O-N 2.9Å; W303-V306 PolarHBondContact O-N 3.36Å; Q304-V306 VanDerWaalsContact C-N 3.27Å; Q304-V306 PolarHBondContact O-N 3.26Å |
| 307 | K | 34.4 | Very low | 31.3 | Very low | 157 Ų | 157 | 122.8 Ų | 122.8 | 68% | 0.683 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -75.1 | -34.8 | 179.2 | -75 | -167.6 | 175.1 | -173.8 | 0 | 113.9 | W303 Q304 N309 Q310 | W303-K307 PolarHBondContact O-N 3.25Å; Q304-K307 PolarHBondContact O-N 2.9Å; K307-N309 VanDerWaalsContact C-N 3.31Å; K307-N309 PolarHBondContact O-N 3.09Å; K307-Q310 PolarHBondContact O-N 3.29Å |
| 308 | Y | 30.5 | Very low | 30.4 | Very low | 169 Ų | 169 | 125.5 Ų | 125.5 | 66% | 0.663 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.6 | -19.4 | -178.1 | -90.9 | -77.9 | 0 | 0 | 0 | 114.2 | Q304 Q310 | Q304-Y308 PolarHBondContact O-N 3.26Å; Q304-Y308 VanDerWaalsContact O-N 3.12Å; Y308-Q310 VanDerWaalsContact C-N 3.31Å; Y308-Q310 PolarHBondContact O-N 3.1Å |
| 309 | N | 26.9 | Very low | 29.6 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 77% | 0.765 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 7.7 | 176.8 | -75.4 | -49.8 | 0 | 0 | 0 | 114.7 | T305 K307 | T305-N309 PolarHBondContact O-ND2 3.11Å; K307-N309 VanDerWaalsContact C-N 3.31Å; K307-N309 PolarHBondContact O-N 3.09Å |
| 310 | Q | 30.1 | Very low | 28.7 | Very low | 126 Ų | 126 | 131 Ų | 131 | 59% | 0.589 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -4.9 | 178.4 | -154.7 | 167.5 | 8.1 | 0 | 0 | 114.5 | K307 Y308 | K307-Q310 PolarHBondContact O-N 3.29Å; Y308-Q310 VanDerWaalsContact C-N 3.31Å; Y308-Q310 PolarHBondContact O-N 3.1Å |
| 311 | H | 29.6 | Very low | 28 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.806 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -104.4 | 12.2 | -174.2 | -81 | -70.8 | 0 | 0 | 0 | 116.1 | | |
| 312 | Q | 24.5 | Very low | 27.1 | Very low | 191 Ų | 191 | 133 Ų | 133 | 89% | 0.893 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -124.9 | 82.7 | 165.5 | -72.8 | -170.5 | 4.2 | 0 | 0 | 111.2 | | |
| 313 | S | 24.3 | Very low | 26.8 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | | | trans | -178.3 | 109.9 | 138.6 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 314 | S | 24.7 | Very low | 26.6 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | | | trans | 5.8 | 125.6 | 137.8 | 50.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 315 | Q | 23 | Very low | 26 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | | | trans | 43.5 | 83.1 | 155.7 | -79.6 | 178.1 | -22.9 | 0 | 0 | 115.9 | S317 | Q315-S317 PolarHBondContact O-N 3Å; Q315-S317 VanDerWaalsContact O-N 3.13Å |
| 316 | I | 23.6 | Very low | 25.7 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | -76.8 | 92.4 | 142.2 | -59.7 | 173.1 | 0 | 0 | 0 | 105.3 | L318 | I316-L318 VanDerWaalsContact C-N 3.32Å; I316-L318 PolarHBondContact O-N 2.87Å |
| 317 | S | 20.7 | Very low | 25 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 57% | 0.566 | 75% | 0.752 | S | S | * | * | | | trans | -52.4 | 99.8 | 162.7 | -53.5 | 0 | 0 | 0 | 0 | 107.4 | Q315 F319 | Q315-S317 PolarHBondContact O-N 3Å; Q315-S317 VanDerWaalsContact O-N 3.13Å; S317-F319 VanDerWaalsContact C-N 3.33Å; S317-F319 PolarHBondContact O-N 3Å |
| 318 | L | 25.8 | Very low | 24.5 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | | | trans | -65.4 | 106.8 | 163.3 | -150.5 | 85 | 0 | 0 | 0 | 104.7 | I316 S320 | I316-L318 VanDerWaalsContact C-N 3.32Å; I316-L318 PolarHBondContact O-N 2.87Å; L318-S320 PolarHBondContact O-N 2.84Å |
| 319 | F | 23.4 | Very low | 24.1 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | | | trans | -41.5 | 123.9 | -178.5 | -79.4 | -94 | 0 | 0 | 0 | 110.7 | S317 D321 | S317-F319 VanDerWaalsContact C-N 3.33Å; S317-F319 PolarHBondContact O-N 3Å; F319-D321 PolarHBondContact O-N 2.71Å |
| 320 | S | 20.2 | Very low | 24 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -66 | 84.8 | 164.7 | 163.1 | 0 | 0 | 0 | 0 | 108.3 | L318 G322 | L318-S320 PolarHBondContact O-N 2.84Å; S320-G322 PolarHBondContact O-N 2.96Å |
| 321 | D | 24.9 | Very low | 23.7 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | -90.2 | 89.6 | 158.9 | -80.4 | -15.6 | 0 | 0 | 0 | 107.9 | F319 H323 | F319-D321 PolarHBondContact O-N 2.71Å; D321-H323 PolarHBondContact O-N 2.83Å |
| 322 | G | 20.8 | Very low | 23.6 | Very low | 58 Ų | 58 | 137.9 Ų | 137.9 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | | | trans | -70.9 | 114.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S320 | S320-G322 PolarHBondContact O-N 2.96Š|
| 323 | H | 26.6 | Very low | 23.6 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | | | trans | -149.7 | 91.2 | 155.9 | -72.4 | -61.5 | 0 | 0 | 0 | 107.7 | D321 | D321-H323 PolarHBondContact O-N 2.83Š|
| 324 | S | 21.9 | Very low | 23.9 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | | 67.2 | 112.7 | 103.4 | 68.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 325 | K | 22.7 | Very low | 23.8 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | | | trans | 59.4 | 97.8 | 142.3 | -62.8 | 179.4 | 179.2 | 179.8 | 0 | 118.8 | | |
| 326 | L | 26.9 | Very low | 23.9 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 96% | 0.963 | 75% | 0.75 | S | S | * | * | | | trans | -138 | 75.1 | 133.9 | -80.1 | 177.4 | 0 | 0 | 0 | 109.8 | | |
| 327 | T | 20.4 | Very low | 23.9 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | trans | -68.4 | 121.2 | 149.2 | 38.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 328 | S | 23.1 | Very low | 24.2 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | 157.2 | 111.5 | 132.8 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 329 | A | 22.1 | Very low | 24.4 | Very low | 81 Ų | 81 | 143 Ų | 143 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | | | trans | 37.8 | 105.3 | 135.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 330 | Y | 25.2 | Very low | 24.4 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -148.1 | 71.3 | 133.9 | -133.2 | -98.6 | 0 | 0 | 0 | 109.7 | H332 | Y330-H332 VanDerWaalsContact C-N 3.28Å; Y330-H332 HydrophobicContact CD1-CB 3.83Å; Y330-H332 HydrophobicContact CE1-CB 3.83Å; Y330-H332 AromaticContact CE1-CD2 3.39Å; Y330-H332 WeakPolarHBondContact CE1-CD2 3.39Å; Y330-H332 AromaticContact CE1-CG 3.86Å; Y330-H332 AromaticContact CZ-CD2 3.85Å; Y330-H332 PolarHBondContact O-N 3.29Å |
| 331 | I | 23.2 | Very low | 24.8 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | trans | -77.6 | 88.9 | 157.7 | -61.4 | 173.7 | 0 | 0 | 0 | 104.9 | | |
| 332 | H | 26.7 | Very low | 24.7 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 60% | 0.602 | 76% | 0.76 | S | S | * | * | | | trans | -93 | 103.5 | 165.8 | -141.5 | -88.6 | 0 | 0 | 0 | 108 | Y330 V334 | Y330-H332 VanDerWaalsContact C-N 3.28Å; Y330-H332 HydrophobicContact CD1-CB 3.83Å; Y330-H332 HydrophobicContact CE1-CB 3.83Å; Y330-H332 AromaticContact CE1-CD2 3.39Å; Y330-H332 WeakPolarHBondContact CE1-CD2 3.39Å; Y330-H332 AromaticContact CE1-CG 3.86Å; Y330-H332 AromaticContact CZ-CD2 3.85Å; Y330-H332 PolarHBondContact O-N 3.29Å; H332-V334 PolarHBondContact O-N 2.83Å |
| 333 | H | 25.6 | Very low | 24.9 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -52.4 | 118.6 | 162.2 | -74 | -97.4 | 0 | 0 | 0 | 109.1 | | |
| 334 | V | 31.2 | Very low | 24.9 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | | | trans | -120 | 99.4 | 158.8 | 179.6 | 0 | 0 | 0 | 0 | 106.8 | H332 | H332-V334 PolarHBondContact O-N 2.83Š|
| 335 | N | 20.8 | Very low | 25.1 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -68.5 | 157.5 | 162.7 | -114.3 | -22.2 | 0 | 0 | 0 | 109.9 | | |
| 336 | H | 26.7 | Very low | 25.3 | Very low | 156 Ų | 156 | 151 Ų | 151 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | 99.6 | 100.9 | 167 | -61.6 | -64.1 | 0 | 0 | 0 | 118.3 | | |
| 337 | H | 23.6 | Very low | 25 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | | 52.9 | 107.4 | 116 | -84.5 | 54.5 | 0 | 0 | 0 | 117.2 | | |
| 338 | H | 27.2 | Very low | 25.4 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | | 156 | 123 | 121.8 | -83.7 | 80.9 | 0 | 0 | 0 | 111.2 | | |
| 339 | H | 28.4 | Very low | 25.5 | Very low | 176 Ų | 176 | 147.6 Ų | 147.6 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | | | trans | 51.6 | 115.4 | 157.4 | -67.5 | -77.2 | 0 | 0 | 0 | 120.9 | K341 | H339-K341 PolarHBondContact O-N 3.46Š|
| 340 | G | 23.9 | Very low | 25.7 | Very low | 84 Ų | 84 | 150.9 Ų | 150.9 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | | | trans | -54.4 | 128.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 341 | K | 28.9 | Very low | 26 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -120.5 | 119.6 | 152.2 | -78.3 | -179.3 | 177.9 | 176.8 | 0 | 107.2 | H339 H343 | H339-K341 PolarHBondContact O-N 3.46Å; K341-H343 PolarHBondContact O-CD2 2.77Å; K341-H343 PolarHBondContact O-N 3.43Å |
| 342 | C | 23.5 | Very low | 26 | Very low | 122 Ų | 122 | 151 Ų | 151 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -56 | 123.8 | 176.9 | -75.8 | 0 | 0 | 0 | 0 | 111 | | |
| 343 | H | 24.4 | Very low | 25.8 | Very low | 178 Ų | 178 | 149 Ų | 149 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -105.8 | 86.6 | 165.1 | -76.1 | -87.7 | 0 | 0 | 0 | 109.1 | K341 | K341-H343 PolarHBondContact O-CD2 2.77Å; K341-H343 PolarHBondContact O-N 3.43Å |
| 344 | H | 27.4 | Very low | 25.7 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | | | trans | -103.1 | 81.8 | 159.9 | -72.4 | -66.9 | 0 | 0 | 0 | 108.3 | L346 | H344-L346 PolarHBondContact O-N 2.79Š|
| 345 | K | 24.9 | Very low | 25.5 | Very low | 207 Ų | 207 | 147.5 Ų | 147.5 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | | | trans | -88.7 | 85.5 | 168.2 | -155.2 | 176.5 | -173.7 | -175.9 | 0 | 107.2 | G347 | K345-G347 PolarHBondContact O-N 3.17Š|
| 346 | L | 26.8 | Very low | 25.7 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | | | trans | -73.1 | 107.9 | 168.6 | -70.7 | 169.8 | 0 | 0 | 0 | 107.6 | H344 | H344-L346 PolarHBondContact O-N 2.79Š|
| 347 | G | 20.7 | Very low | 25.6 | Very low | 55 Ų | 55 | 147.8 Ų | 147.8 | 57% | 0.567 | 80% | 0.796 | S | S | * | * | | | trans | -150.2 | 106 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | K345 | K345-G347 PolarHBondContact O-N 3.17Š|
| 348 | L | 29.4 | Very low | 25.7 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | trans | -147.9 | 77.7 | 156.6 | -73.8 | -176.9 | 0 | 0 | 0 | 109.2 | | |
| 349 | T | 24.6 | Very low | 25.5 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -57.3 | 147.1 | 140.5 | -0.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 350 | N | 25.5 | Very low | 25.3 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | | | trans | 103.5 | 69.6 | 175.1 | -56 | -5.3 | 0 | 0 | 0 | 116 | | |
| 351 | V | 32.1 | Very low | 25.2 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | | | trans | -119.5 | 38.6 | 150.3 | -164.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 352 | Y | 23.9 | Very low | 24.9 | Very low | 205 Ų | 205 | 148.3 Ų | 148.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -129.4 | 81 | 171.8 | -91.2 | -85.1 | 0 | 0 | 0 | 108.2 | | |
| 353 | A | 23.1 | Very low | 24.9 | Very low | 88 Ų | 88 | 148.3 Ų | 148.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -161.2 | 99.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 354 | S | 23.6 | Very low | 24.7 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | 71 | 108.6 | 139.7 | -45.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 355 | L | 26 | Very low | 24.5 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | trans | -153.5 | 125.7 | 134.1 | -102.7 | 140.8 | 0 | 0 | 0 | 111.8 | | |
| 356 | K | 25.4 | Very low | 24.3 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -78.7 | 158 | -168.8 | -93.4 | 171.6 | 165.6 | 176.5 | 0 | 112.9 | | |
| 357 | S | 24.3 | Very low | 24 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | trans | -52 | 147.9 | 166.4 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 358 | N | 25.5 | Very low | 23.9 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | | 173.1 | 126.2 | 120.5 | -83.6 | -13.1 | 0 | 0 | 0 | 115.4 | | |
| 359 | K | 23.7 | Very low | 23.5 | Very low | 185 Ų | 185 | 137.7 Ų | 137.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 31.4 | 121.7 | 139.3 | -62.2 | -160.3 | 175.8 | -170.6 | 0 | 124.1 | | |
| 360 | F | 23.8 | Very low | 24.3 | Very low | 215 Ų | 215 | 137.3 Ų | 137.3 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | | | | 45.5 | 131.4 | 123.4 | -77.5 | -91.6 | 0 | 0 | 0 | 122.3 | | |
| 361 | G | 22.6 | Very low | 23.9 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | | | trans | 139.1 | 98.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 362 | D | 22.1 | Very low | 23.4 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | | 66.4 | 118.4 | 127.4 | -59.4 | -20.9 | 0 | 0 | 0 | 126.1 | | |
| 363 | T | 22.4 | Very low | 23.3 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | | 77.3 | 120 | 126.7 | 61.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 364 | S | 20.5 | Very low | 23.3 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | trans | 50.2 | 126.1 | 136 | 66.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 365 | T | 23.9 | Very low | 23.2 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | | | | -176.4 | 144 | 114 | 21.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 366 | V | 20 | Very low | 23 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | | | trans | -74 | 140 | 172.5 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 367 | S | 21.5 | Very low | 23 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -164.4 | 128.1 | 141.6 | 66.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 368 | S | 19 | Very low | 23 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -40.3 | 144.4 | 162.8 | 45.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 369 | S | 21 | Very low | 22.8 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | | 178.4 | 141.5 | 115.5 | 34.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 370 | P | 39.7 | Very low | 23 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | | | trans | -102.8 | 137.9 | 170.4 | 35.2 | -26 | 0 | 0 | 0 | 111.3 | | |
| 371 | S | 18.7 | Very low | 22.9 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -167.9 | 127.4 | 161 | -79.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 372 | Q | 21.4 | Very low | 23 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | 89.6 | 118.5 | 144.2 | -71.2 | -179.5 | -12 | 0 | 0 | 122.7 | | |
| 373 | S | 22 | Very low | 22.9 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | 86.3 | 95.2 | 143.6 | 73.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 374 | H | 22.4 | Very low | 23 | Very low | 178 Ų | 178 | 137 Ų | 137 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | | -37.6 | 127.4 | 127 | -82.8 | -2.7 | 0 | 0 | 0 | 112.3 | | |
| 375 | N | 21.1 | Very low | 23.1 | Very low | 132 Ų | 132 | 141 Ų | 141 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | | 159.3 | 122.3 | 106.4 | -103.4 | -25 | 0 | 0 | 0 | 112 | | |
| 376 | N | 22.5 | Very low | 23.1 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | 42.8 | 106.9 | 138.4 | -59.9 | -19.9 | 0 | 0 | 0 | 119.7 | | |
| 377 | N | 26.1 | Very low | 23.3 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | -131.3 | 97.2 | 146.4 | -91.3 | -32.5 | 0 | 0 | 0 | 111 | | |
| 378 | H | 23.1 | Very low | 23.4 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 13.5 | 132.3 | 139.4 | -74.9 | -72.3 | 0 | 0 | 0 | 121 | | |
| 379 | K | 21.8 | Very low | 23.5 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | 39.7 | 110.3 | 131.8 | -78.2 | 176.7 | 170.3 | 174.1 | 0 | 117 | | |
| 380 | S | 28.4 | Very low | 23.7 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | | -127 | 88 | 128.4 | 64.2 | 0 | 0 | 0 | 0 | 109.1 | L382 | S380-L382 PolarHBondContact O-N 3.08Š|
| 381 | S | 20.4 | Very low | 23 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | | | trans | -59.7 | 124.1 | 156.6 | 57 | 0 | 0 | 0 | 0 | 109 | | |
| 382 | L | 25.4 | Very low | 23.5 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -119.9 | 76.3 | 143.5 | -118.3 | 122.4 | 0 | 0 | 0 | 107.5 | S380 | S380-L382 PolarHBondContact O-N 3.08Š|
| 383 | K | 20.7 | Very low | 23.7 | Very low | 207 Ų | 207 | 141.6 Ų | 141.6 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | | | trans | -89.7 | 105 | 146.8 | -91 | -174 | 175.4 | -178.5 | 0 | 106.3 | | |
| 384 | S | 23.8 | Very low | 23.8 | Very low | 84 Ų | 84 | 142.8 Ų | 142.8 | 59% | 0.587 | 76% | 0.763 | S | S | * | * | | | trans | -177.2 | 137.5 | 159 | 53 | 0 | 0 | 0 | 0 | 107.1 | | |
| 385 | K | 22.7 | Very low | 23.9 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | cis | 172.8 | 157.6 | -9.5 | -123.9 | 179.1 | -178.7 | 179.9 | 0 | 103.2 | | |
| 386 | N | 24 | Very low | 24 | Very low | 141 Ų | 141 | 139 Ų | 139 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | trans | 89 | 101.1 | 166.4 | -54 | -13.3 | 0 | 0 | 0 | 114.8 | | |
| 387 | V | 22.8 | Very low | 24.2 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | | | | 67.2 | 107.5 | 66 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 388 | V | 25.2 | Very low | 24.1 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 89% | 0.885 | 75% | 0.753 | S | S | * | * | | | | -143.1 | 111 | 127.3 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 389 | S | 21.4 | Very low | 24.3 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | | | trans | -72 | 144.2 | 162.5 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 390 | N | 23.8 | Very low | 24.7 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | | | trans | -165.1 | 147.5 | 134.7 | -104.5 | -1.2 | 0 | 0 | 0 | 110.7 | | |
| 391 | N | 26.5 | Very low | 24.8 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | 75.2 | 136.6 | 179.5 | -65.6 | 19 | 0 | 0 | 0 | 116.3 | | |
| 392 | D | 27.6 | Very low | 25.1 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | cis | -166.3 | 153.9 | -23.6 | -107.1 | -34.6 | 0 | 0 | 0 | 103.4 | | |
| 393 | N | 25.8 | Very low | 25.2 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | trans | -53.1 | 163.1 | -172.7 | -61.8 | -53.6 | 0 | 0 | 0 | 114.9 | | |
| 394 | N | 24.7 | Very low | 26.1 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | | | trans | 106 | 108.2 | 132 | -84.8 | -9 | 0 | 0 | 0 | 119.1 | | |
| 395 | T | 23.6 | Very low | 26.9 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.693 | 75% | 0.747 | S | S | * | * | | | | 82.9 | 108.3 | 127.3 | 38.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 396 | T | 24.8 | Very low | 27.6 | Very low | 116 Ų | 116 | 129 Ų | 129 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | | | trans | 68.8 | 104.5 | 131.1 | 45.5 | 0 | 0 | 0 | 0 | 119 | | |
| 397 | T | 26 | Very low | 28.2 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | | 30.1 | 116.2 | 117.9 | 51.6 | 0 | 0 | 0 | 0 | 117 | | |
| 398 | T | 24.4 | Very low | 29.1 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | | -179.8 | 127.6 | 112.8 | 24.9 | 0 | 0 | 0 | 0 | 112 | | |
| 399 | T | 25.9 | Very low | 30.2 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | | | trans | 59.8 | 109.7 | 150.9 | 59.3 | 0 | 0 | 0 | 0 | 120 | | |
| 400 | G | 31.5 | Very low | 31.6 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | | | | 92.6 | 19.9 | 116.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 401 | I | 29.4 | Very low | 32.3 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 77% | 0.774 | 71% | 0.709 | S | S | * | * | | | trans | -139.3 | 91.8 | 164.1 | -48.1 | 175.9 | 0 | 0 | 0 | 107.3 | P403 | I401-P403 WeakPolarHBondContact O-CD 3.08Š|
| 402 | E | 26.7 | Very low | 34 | Very low | 183 Ų | 183 | 125.5 Ų | 125.5 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | | | trans | -64.4 | 116.4 | 158.9 | -94.5 | -169.1 | 163.1 | 0 | 0 | 106.9 | I404 | E402-I404 PolarHBondContact O-N 3.5Å; E402-I404 VanDerWaalsContact O-N 3.11Å |
| 403 | P | 28.9 | Very low | 35.2 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 58% | 0.578 | 69% | 0.693 | S | S | * | * | | | trans | -67 | 115.1 | 173.9 | 27.8 | -30.9 | 0 | 0 | 0 | 107.5 | I401 S405 | I401-P403 WeakPolarHBondContact O-CD 3.08Å; P403-S405 PolarHBondContact O-N 2.88Å |
| 404 | I | 38 | Very low | 36.6 | Very low | 148 Ų | 148 | 123.1 Ų | 123.1 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 9.5 | 173.6 | -62.5 | 164 | 0 | 0 | 0 | 112 | E402 I408 | E402-I404 PolarHBondContact O-N 3.5Å; E402-I404 VanDerWaalsContact O-N 3.11Å; I404-I408 HydrophobicContact CG2-CD1 4.23Å; I404-I408 WeakPolarHBondContact O-CD1 3Å; I404-I408 WeakPolarHBondContact O-CG1 3.41Å |
| 405 | S | 42 | Very low | 38.1 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -6 | -170.4 | 64.5 | 0 | 0 | 0 | 0 | 116.2 | P403 | P403-S405 PolarHBondContact O-N 2.88Š|
| 406 | Q | 37.7 | Very low | 39.5 | Very low | 164 Ų | 164 | 117.6 Ų | 117.6 | 77% | 0.766 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -107.2 | -27.3 | -179.2 | -78 | -175.5 | -6.7 | 0 | 0 | 116.4 | | |
| 407 | D | 35.3 | Very low | 41.3 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -95.5 | -0.4 | -177.1 | -84.2 | -19 | 0 | 0 | 0 | 115.7 | K409 S410 Y411 | D407-K409 PolarHBondContact O-N 3.42Å; D407-K409 VanDerWaalsContact O-N 3.11Å; D407-S410 PolarHBondContact O-N 2.85Å; D407-S410 PolarHBondContact O-OG 3.02Å; D407-Y411 HydrophobicContact CB-CE2 4.32Å; D407-Y411 WeakPolarHBondContact O-CD2 3.22Å |
| 408 | I | 43 | Very low | 42.7 | Very low | 99 Ų | 99 | 118.4 Ų | 118.4 | 51% | 0.508 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -64 | -20.3 | 177.1 | -60.1 | 170.7 | 0 | 0 | 0 | 112.2 | I404 S410 | I404-I408 HydrophobicContact CG2-CD1 4.23Å; I404-I408 WeakPolarHBondContact O-CD1 3Å; I404-I408 WeakPolarHBondContact O-CG1 3.41Å; I408-S410 VanDerWaalsContact C-N 3.32Å; I408-S410 PolarHBondContact O-N 3.38Å |
| 409 | K | 47.9 | Very low | 44.2 | Very low | 209 Ų | 209 | 115.5 Ų | 115.5 | 91% | 0.909 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -73.4 | -19.5 | -178.7 | -72.2 | -174.7 | -179.1 | 177.7 | 0 | 114.2 | D407 | D407-K409 PolarHBondContact O-N 3.42Å; D407-K409 VanDerWaalsContact O-N 3.11Å |
| 410 | S | 49.5 | Very low | 45.9 | Very low | 92 Ų | 92 | 113.8 Ų | 113.8 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -20.6 | 179.7 | 57 | 0 | 0 | 0 | 0 | 113.2 | D407 I408 N412 | D407-S410 PolarHBondContact O-N 2.85Å; D407-S410 PolarHBondContact O-OG 3.02Å; I408-S410 VanDerWaalsContact C-N 3.32Å; I408-S410 PolarHBondContact O-N 3.38Å; S410-N412 PolarHBondContact O-N 3.03Å |
| 411 | Y | 39.4 | Very low | 46.9 | Very low | 97 Ų | 97 | 116.8 Ų | 116.8 | 38% | 0.38 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -76.3 | 126.7 | -179.7 | -73.7 | -72.8 | 0 | 0 | 0 | 111.9 | D407 E415 | D407-Y411 HydrophobicContact CB-CE2 4.32Å; D407-Y411 WeakPolarHBondContact O-CD2 3.22Å; Y411-E415 HydrophobicContact CD1-CB 4.06Å; Y411-E415 HydrophobicContact CD1-CG 3.7Å; Y411-E415 WeakPolarHBondContact CD1-OE2 3.35Å; Y411-E415 HydrophobicContact CE1-CG 4.11Å |
| 412 | N | 62.5 | Low | 48.1 | Very low | 103 Ų | 103 | 112.3 Ų | 112.3 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | | | trans | -58.5 | 136.3 | 165.1 | -175.6 | -17.1 | 0 | 0 | 0 | 108 | S410 L414 E415 C416 | S410-N412 PolarHBondContact O-N 3.03Å; N412-L414 PolarHBondContact O-N 3.16Å; N412-L414 PolarHBondContact OD1-N 3.38Å; N412-E415 WeakPolarHBondContact O-CB 3.49Å; N412-E415 PolarHBondContact O-N 3.11Å; N412-C416 PolarHBondContact O-N 2.95Å |
| 413 | P | 53.4 | Low | 49.3 | Very low | 83 Ų | 83 | 109.3 Ų | 109.3 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -46.4 | -28.7 | 177.7 | -32.1 | 31.9 | 0 | 0 | 0 | 115.5 | F417 | P413-F417 PolarHBondContact O-N 3.04Å; P413-F417 VanDerWaalsContact O-N 3.15Å |
| 414 | L | 55.3 | Low | 50.4 | Low | 135 Ų | 135 | 112.1 Ų | 112.1 | 71% | 0.707 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.9 | -39.4 | 175.9 | -139.9 | 90.4 | 0 | 0 | 0 | 112.8 | N412 F417 Y418 | N412-L414 PolarHBondContact O-N 3.16Å; N412-L414 PolarHBondContact OD1-N 3.38Å; L414-F417 PolarHBondContact O-N 2.72Å; L414-Y418 PolarHBondContact O-N 2.92Å |
| 415 | E | 55.1 | Low | 50.5 | Low | 98 Ų | 98 | 108.4 Ų | 108.4 | 46% | 0.458 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74.9 | -38 | -178.4 | -163.1 | 169.8 | -175.6 | 0 | 0 | 110.9 | Y411 N412 F417 Y418 N419 | Y411-E415 HydrophobicContact CD1-CB 4.06Å; Y411-E415 HydrophobicContact CD1-CG 3.7Å; Y411-E415 WeakPolarHBondContact CD1-OE2 3.35Å; Y411-E415 HydrophobicContact CE1-CG 4.11Å; N412-E415 WeakPolarHBondContact O-CB 3.49Å; N412-E415 PolarHBondContact O-N 3.11Å; E415-F417 VanDerWaalsContact C-N 3.31Å; E415-F417 PolarHBondContact O-N 3.33Å; E415-Y418 PolarHBondContact O-N 2.51Å; E415-N419 WeakPolarHBondContact O-CB 3.28Å; E415-N419 PolarHBondContact O-N 3.25Å; E415-N419 PolarHBondContact O-ND2 2.8Å |
| 416 | C | 52.1 | Low | 50.8 | Low | 39 Ų | 39 | 108.4 Ų | 108.4 | 26% | 0.264 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 167.2 | -92.5 | 0 | 0 | 0 | 0 | 112.1 | N412 L420 | N412-C416 PolarHBondContact O-N 2.95Å; C416-L420 WeakPolarHBondContact O-CD1 3.28Å; C416-L420 PolarHBondContact O-N 2.85Å |
| 417 | F | 63.9 | Low | 51.1 | Low | 91 Ų | 91 | 109.2 Ų | 109.2 | 40% | 0.399 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 177.1 | 177.6 | -96 | 0 | 0 | 0 | 111.6 | P413 L414 E415 N419 L420 W421 | P413-F417 PolarHBondContact O-N 3.04Å; P413-F417 VanDerWaalsContact O-N 3.15Å; L414-F417 PolarHBondContact O-N 2.72Å; E415-F417 VanDerWaalsContact C-N 3.31Å; E415-F417 PolarHBondContact O-N 3.33Å; F417-N419 VanDerWaalsContact C-N 3.32Å; F417-N419 PolarHBondContact O-N 3.25Å; F417-L420 PolarHBondContact O-N 3.24Å; F417-W421 HydrophobicContact CE1-CB 4.25Å; F417-W421 HydrophobicContact CE1-CG 4.42Å; F417-W421 HydrophobicContact CZ-CB 4.48Å; F417-W421 HydrophobicContact CZ-CD2 4.31Å; F417-W421 AromaticContact CZ-CE3 3.89Å; F417-W421 HydrophobicContact CZ-CE3 3.89Å; F417-W421 VanDerWaalsContact O-CB 3.31Å; F417-W421 WeakPolarHBondContact O-CB 3.45Å; F417-W421 PolarHBondContact O-N 3.03Å |
| 418 | Y | 54.4 | Low | 51.5 | Low | 156 Ų | 156 | 108.3 Ų | 108.3 | 61% | 0.612 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.3 | -43.7 | 179.1 | -159.5 | -93.8 | 0 | 0 | 0 | 111.1 | L414 E415 L420 W421 T422 | L414-Y418 PolarHBondContact O-N 2.92Å; E415-Y418 PolarHBondContact O-N 2.51Å; Y418-L420 PolarHBondContact O-N 3.07Å; Y418-W421 PolarHBondContact O-N 3.37Å; Y418-T422 HydrophobicContact CD1-CG2 3.76Å; Y418-T422 HydrophobicContact CE1-CG2 3.5Å; Y418-T422 WeakPolarHBondContact O-CG2 3.33Å; Y418-T422 PolarHBondContact O-N 2.81Å; Y418-T422 PolarHBondContact O-OG1 3.02Å |
| 419 | N | 56.8 | Low | 51.4 | Low | 68 Ų | 68 | 110.4 Ų | 110.4 | 36% | 0.364 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 176.7 | -73.1 | -18.2 | 0 | 0 | 0 | 113.4 | E415 F417 T422 N423 | E415-N419 WeakPolarHBondContact O-CB 3.28Å; E415-N419 PolarHBondContact O-N 3.25Å; E415-N419 PolarHBondContact O-ND2 2.8Å; F417-N419 VanDerWaalsContact C-N 3.32Å; F417-N419 PolarHBondContact O-N 3.25Å; N419-T422 PolarHBondContact O-OG1 3.26Å; N419-N423 WeakPolarHBondContact O-CB 3.18Å; N419-N423 VanDerWaalsContact O-CG 3.31Å; N419-N423 PolarHBondContact O-N 3.02Å; N419-N423 PolarHBondContact O-ND2 2.9Å |
| 420 | L | 62.2 | Low | 51.3 | Low | 96 Ų | 96 | 108.6 Ų | 108.6 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -48.6 | 170.5 | -101.7 | 101.7 | 0 | 0 | 0 | 110.8 | C416 F417 Y418 T422 N423 F424 | C416-L420 WeakPolarHBondContact O-CD1 3.28Å; C416-L420 PolarHBondContact O-N 2.85Å; F417-L420 PolarHBondContact O-N 3.24Å; Y418-L420 PolarHBondContact O-N 3.07Å; L420-T422 PolarHBondContact O-N 3.3Å; L420-N423 PolarHBondContact O-N 3.32Å; L420-F424 HydrophobicContact CD2-CE2 4.26Å; L420-F424 VanDerWaalsContact O-CD2 3.28Å; L420-F424 WeakPolarHBondContact O-CD2 3.39Å; L420-F424 PolarHBondContact O-N 2.87Å; L420-F424 VanDerWaalsContact O-N 3.07Å |
| 421 | W | 51.9 | Low | 50.8 | Low | 144 Ų | 144 | 110.9 Ų | 110.9 | 55% | 0.545 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | -175 | -174.8 | -99.4 | 0 | 0 | 0 | 112.7 | F417 Y418 F424 N425 | F417-W421 HydrophobicContact CE1-CB 4.25Å; F417-W421 HydrophobicContact CE1-CG 4.42Å; F417-W421 HydrophobicContact CZ-CB 4.48Å; F417-W421 HydrophobicContact CZ-CD2 4.31Å; F417-W421 AromaticContact CZ-CE3 3.89Å; F417-W421 HydrophobicContact CZ-CE3 3.89Å; F417-W421 VanDerWaalsContact O-CB 3.31Å; F417-W421 WeakPolarHBondContact O-CB 3.45Å; F417-W421 PolarHBondContact O-N 3.03Å; Y418-W421 PolarHBondContact O-N 3.37Å; W421-F424 PolarHBondContact O-N 2.8Å; W421-N425 VanDerWaalsContact CE2-ND2 3.27Å; W421-N425 PolarHBondContact NE1-ND2 2.8Å; W421-N425 PolarHBondContact O-N 3.03Å; W421-N425 VanDerWaalsContact O-N 3.15Å; W421-N425 PolarHBondContact O-ND2 3.13Å |
| 422 | T | 54.2 | Low | 50.7 | Low | 56 Ų | 56 | 112.6 Ų | 112.6 | 34% | 0.344 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.2 | -39.1 | 178.2 | 53 | 0 | 0 | 0 | 0 | 112.2 | Y418 N419 L420 F424 N425 S426 | Y418-T422 HydrophobicContact CD1-CG2 3.76Å; Y418-T422 HydrophobicContact CE1-CG2 3.5Å; Y418-T422 WeakPolarHBondContact O-CG2 3.33Å; Y418-T422 PolarHBondContact O-N 2.81Å; Y418-T422 PolarHBondContact O-OG1 3.02Å; N419-T422 PolarHBondContact O-OG1 3.26Å; L420-T422 PolarHBondContact O-N 3.3Å; T422-F424 VanDerWaalsContact C-N 3.34Å; T422-F424 PolarHBondContact O-N 3.27Å; T422-N425 PolarHBondContact O-N 2.96Å; T422-S426 PolarHBondContact O-N 3.14Å |
| 423 | N | 51.9 | Low | 50 | Low | 121 Ų | 121 | 114.6 Ų | 114.6 | 65% | 0.647 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.9 | -38.2 | 175.9 | -80.9 | -40 | 0 | 0 | 0 | 112.2 | N419 L420 S426 | N419-N423 WeakPolarHBondContact O-CB 3.18Å; N419-N423 VanDerWaalsContact O-CG 3.31Å; N419-N423 PolarHBondContact O-N 3.02Å; N419-N423 PolarHBondContact O-ND2 2.9Å; L420-N423 PolarHBondContact O-N 3.32Å; N423-S426 PolarHBondContact O-OG 2.97Å; N423-S426 VanDerWaalsContact O-OG 3.08Å |
| 424 | F | 51.4 | Low | 49.5 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.4 | -36.8 | 177.1 | -90.8 | -76.7 | 0 | 0 | 0 | 113.2 | L420 W421 T422 S426 | L420-F424 HydrophobicContact CD2-CE2 4.26Å; L420-F424 VanDerWaalsContact O-CD2 3.28Å; L420-F424 WeakPolarHBondContact O-CD2 3.39Å; L420-F424 PolarHBondContact O-N 2.87Å; L420-F424 VanDerWaalsContact O-N 3.07Å; W421-F424 PolarHBondContact O-N 2.8Å; T422-F424 VanDerWaalsContact C-N 3.34Å; T422-F424 PolarHBondContact O-N 3.27Å; F424-S426 PolarHBondContact O-N 3.13Å |
| 425 | N | 41.7 | Very low | 49.2 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 37% | 0.369 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -79.1 | -16.4 | -174.9 | -74.5 | -26.5 | 0 | 0 | 0 | 114.7 | W421 T422 K427 I428 | W421-N425 VanDerWaalsContact CE2-ND2 3.27Å; W421-N425 PolarHBondContact NE1-ND2 2.8Å; W421-N425 PolarHBondContact O-N 3.03Å; W421-N425 VanDerWaalsContact O-N 3.15Å; W421-N425 PolarHBondContact O-ND2 3.13Å; T422-N425 PolarHBondContact O-N 2.96Å; N425-K427 PolarHBondContact O-N 2.76Å; N425-K427 VanDerWaalsContact O-N 3.16Å; N425-I428 PolarHBondContact O-N 2.88Å |
| 426 | S | 47.3 | Very low | 49.3 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -18.9 | 178.1 | 65.8 | 0 | 0 | 0 | 0 | 114.3 | T422 N423 F424 | T422-S426 PolarHBondContact O-N 3.14Å; N423-S426 PolarHBondContact O-OG 2.97Å; N423-S426 VanDerWaalsContact O-OG 3.08Å; F424-S426 PolarHBondContact O-N 3.13Å |
| 427 | K | 44 | Very low | 50.2 | Low | 182 Ų | 182 | 126.6 Ų | 126.6 | 79% | 0.791 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -4.6 | -178.9 | -81.4 | -174.3 | 177.4 | 179.9 | 0 | 115.2 | N425 I429 | N425-K427 PolarHBondContact O-N 2.76Å; N425-K427 VanDerWaalsContact O-N 3.16Å; K427-I429 PolarHBondContact O-N 2.96Å |
| 428 | I | 44.6 | Very low | 50.4 | Low | 98 Ų | 98 | 130.4 Ų | 130.4 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | | | trans | -85.6 | 71.2 | 177.2 | -49.5 | 177.5 | 0 | 0 | 0 | 107.5 | N425 F433 | N425-I428 PolarHBondContact O-N 2.88Å; I428-F433 HydrophobicContact CG2-CE2 4.33Å |
| 429 | I | 39.7 | Very low | 51.2 | Low | 143 Ų | 143 | 129.8 Ų | 129.8 | 73% | 0.733 | 62% | 0.619 | S | S | * | * | | | trans | -61.9 | 136.9 | 167.9 | -59.9 | 167.8 | 0 | 0 | 0 | 107.2 | K427 D431 | K427-I429 PolarHBondContact O-N 2.96Å; I429-D431 VanDerWaalsContact C-N 3.31Å; I429-D431 PolarHBondContact O-N 2.94Å |
| 430 | E | 45.7 | Very low | 51.8 | Low | 171 Ų | 171 | 127.6 Ų | 127.6 | 80% | 0.799 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -61.6 | 8.3 | -150.5 | -73.7 | 170.7 | 141.8 | 0 | 0 | 120 | | |
| 431 | D | 39.2 | Very low | 52.1 | Low | 140 Ų | 140 | 126.8 Ų | 126.8 | 75% | 0.749 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 1.9 | -155.8 | -82 | -20.8 | 0 | 0 | 0 | 119.3 | I429 | I429-D431 VanDerWaalsContact C-N 3.31Å; I429-D431 PolarHBondContact O-N 2.94Å |
| 432 | N | 37.9 | Very low | 53 | Low | 133 Ų | 133 | 124.1 Ų | 124.1 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 20 | -173.8 | -74.4 | -35.4 | 0 | 0 | 0 | 116.4 | Y434 | N432-Y434 PolarHBondContact O-N 3.5Å; N432-Y434 VanDerWaalsContact O-N 3.14Å |
| 433 | F | 47.2 | Very low | 53.8 | Low | 144 Ų | 144 | 128.3 Ų | 128.3 | 63% | 0.632 | 61% | 0.609 | S | S | * | * | | | trans | -82.4 | 89.7 | 163.7 | -64.5 | -75 | 0 | 0 | 0 | 108.9 | I428 Y435 | I428-F433 HydrophobicContact CG2-CE2 4.33Å; F433-Y435 HydrophobicContact CB-CD2 4.24Å; F433-Y435 HydrophobicContact CB-CE2 3.93Å; F433-Y435 WeakPolarHBondContact O-CD2 3.19Å; F433-Y435 PolarHBondContact O-N 2.95Å |
| 434 | Y | 43.9 | Very low | 54.6 | Low | 204 Ų | 204 | 128.9 Ų | 128.9 | 80% | 0.8 | 60% | 0.602 | S | S | * | * | | | trans | -63.8 | 87.8 | 160.2 | -70.2 | -80.8 | 0 | 0 | 0 | 107.8 | N432 M436 | N432-Y434 PolarHBondContact O-N 3.5Å; N432-Y434 VanDerWaalsContact O-N 3.14Å; Y434-M436 PolarHBondContact O-N 2.85Å |
| 435 | Y | 47.7 | Very low | 55.2 | Low | 206 Ų | 206 | 125.7 Ų | 125.7 | 81% | 0.808 | 59% | 0.594 | S | S | * | * | | | trans | -56.9 | 113.7 | 163.6 | -72.6 | -83.8 | 0 | 0 | 0 | 106.5 | F433 D437 | F433-Y435 HydrophobicContact CB-CD2 4.24Å; F433-Y435 HydrophobicContact CB-CE2 3.93Å; F433-Y435 WeakPolarHBondContact O-CD2 3.19Å; F433-Y435 PolarHBondContact O-N 2.95Å; Y435-D437 PolarHBondContact O-N 3.5Å |
| 436 | M | 57.6 | Low | 56.4 | Low | 115 Ų | 115 | 130 Ų | 130 | 57% | 0.567 | 61% | 0.605 | S | S | * | * | | | trans | -57.5 | 127 | 170.3 | -71.5 | -102.2 | 84.8 | 0 | 0 | 107.2 | Y434 | Y434-M436 PolarHBondContact O-N 2.85Š|
| 437 | D | 70.7 | Confident | 57 | Low | 82 Ų | 82 | 128.3 Ų | 128.3 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | | | trans | -58.4 | 153.4 | 172.1 | 73.1 | -13.6 | 0 | 0 | 0 | 109.9 | Y435 K439 S440 L441 | Y435-D437 PolarHBondContact O-N 3.5Å; D437-K439 PolarHBondContact O-N 3.46Å; D437-K439 VanDerWaalsContact O-N 3.11Å; D437-S440 PolarHBondContact O-N 3.33Å; D437-S440 WeakPolarHBondContact OD1-CA 3.39Å; D437-S440 WeakPolarHBondContact OD1-CB 3.37Å; D437-S440 PolarHBondContact OD1-N 3.32Å; D437-S440 PolarHBondContact OD1-OG 3.3Å; D437-L441 PolarHBondContact O-N 3.31Å |
| 438 | E | 68 | Low | 57.7 | Low | 172 Ų | 172 | 125.5 Ų | 125.5 | 80% | 0.804 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -55.2 | -34.6 | -177.5 | -169 | 177 | -174.5 | 0 | 0 | 111.5 | L441 E442 | E438-L441 PolarHBondContact O-N 3.37Å; E438-E442 WeakPolarHBondContact O-CB 3.34Å; E438-E442 PolarHBondContact O-N 2.79Å |
| 439 | K | 71.6 | Confident | 58.2 | Low | 142 Ų | 142 | 125 Ų | 125 | 62% | 0.617 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.3 | -36.9 | 174.6 | -77.1 | -176.5 | 178.6 | 176 | 0 | 113.7 | D437 R443 | D437-K439 PolarHBondContact O-N 3.46Å; D437-K439 VanDerWaalsContact O-N 3.11Å; K439-R443 WeakPolarHBondContact O-CB 3.37Å; K439-R443 WeakPolarHBondContact O-CG 3.23Å; K439-R443 PolarHBondContact O-N 2.9Å |
| 440 | S | 69.1 | Low | 58.5 | Low | 23 Ų | 23 | 120.2 Ų | 120.2 | 16% | 0.161 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -74 | -34.9 | 176.2 | -64.5 | 0 | 0 | 0 | 0 | 111 | D437 R443 R444 | D437-S440 PolarHBondContact O-N 3.33Å; D437-S440 WeakPolarHBondContact OD1-CA 3.39Å; D437-S440 WeakPolarHBondContact OD1-CB 3.37Å; D437-S440 PolarHBondContact OD1-N 3.32Å; D437-S440 PolarHBondContact OD1-OG 3.3Å; S440-R443 PolarHBondContact O-N 3.12Å; S440-R444 WeakPolarHBondContact O-CB 3.42Å; S440-R444 PolarHBondContact O-N 3.33Å |
| 441 | L | 69 | Low | 58.5 | Low | 78 Ų | 78 | 119.9 Ų | 119.9 | 41% | 0.408 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.4 | -47.3 | 171.3 | -173.1 | 64 | 0 | 0 | 0 | 110.7 | D437 E438 R444 V445 | D437-L441 PolarHBondContact O-N 3.31Å; E438-L441 PolarHBondContact O-N 3.37Å; L441-R444 PolarHBondContact O-N 3.13Å; L441-V445 WeakPolarHBondContact O-CG2 3.34Å; L441-V445 PolarHBondContact O-N 3.18Å |
| 442 | E | 70.9 | Confident | 58.7 | Low | 88 Ų | 88 | 118.7 Ų | 118.7 | 41% | 0.411 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.8 | -43.6 | 175.6 | -169.9 | -171.9 | -175.6 | 0 | 0 | 111.8 | E438 R444 V445 R446 | E438-E442 WeakPolarHBondContact O-CB 3.34Å; E438-E442 PolarHBondContact O-N 2.79Å; E442-R444 VanDerWaalsContact C-N 3.32Å; E442-R444 PolarHBondContact O-N 3.07Å; E442-V445 PolarHBondContact O-N 3.29Å; E442-R446 WeakPolarHBondContact O-CB 3.35Å; E442-R446 WeakPolarHBondContact O-CG 3.34Å; E442-R446 PolarHBondContact O-N 3.37Å; E442-R446 IonicContact OE1-CZ 3.81Å; E442-R446 IonicContact OE1-NE 3.42Å; E442-R446 IonicContact OE1-NH1 2.62Å; E442-R446 PolarHBondContact OE1-NH1 2.92Å; E442-R446 IonicContact OE1-NH2 3.03Å; E442-R446 PolarHBondContact OE1-NH2 2.9Å |
| 443 | R | 70 | Confident | 58.8 | Low | 145 Ų | 145 | 120 Ų | 120 | 55% | 0.547 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.5 | -42.2 | 174 | -84.7 | -176.7 | -103.5 | 138.3 | -1.1 | 111.7 | K439 S440 R446 A447 | K439-R443 WeakPolarHBondContact O-CB 3.37Å; K439-R443 WeakPolarHBondContact O-CG 3.23Å; K439-R443 PolarHBondContact O-N 2.9Å; S440-R443 PolarHBondContact O-N 3.12Å; R443-R446 PolarHBondContact O-N 3.32Å; R443-A447 VanDerWaalsContact O-CB 3.23Å; R443-A447 WeakPolarHBondContact O-CB 2.91Å; R443-A447 PolarHBondContact O-N 2.92Å |
| 444 | R | 68.8 | Low | 58.3 | Low | 132 Ų | 132 | 117 Ų | 117 | 50% | 0.498 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.3 | -43.7 | 177.7 | -171.8 | 175.9 | 68.5 | 165.7 | 0.9 | 111.6 | S440 L441 E442 R446 A447 Q448 | S440-R444 WeakPolarHBondContact O-CB 3.42Å; S440-R444 PolarHBondContact O-N 3.33Å; L441-R444 PolarHBondContact O-N 3.13Å; E442-R444 VanDerWaalsContact C-N 3.32Å; E442-R444 PolarHBondContact O-N 3.07Å; R444-R446 VanDerWaalsContact C-N 3.3Å; R444-R446 PolarHBondContact O-N 3.18Å; R444-A447 CarbonylContact O-C 3.49Å; R444-A447 PolarHBondContact O-N 3.29Å; R444-Q448 WeakPolarHBondContact O-CB 3.34Å; R444-Q448 WeakPolarHBondContact O-CG 3.38Å; R444-Q448 PolarHBondContact O-N 3.33Å |
| 445 | V | 65.3 | Low | 58 | Low | 82 Ų | 82 | 112.8 Ų | 112.8 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.7 | -42 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | L441 E442 Q448 A449 | L441-V445 WeakPolarHBondContact O-CG2 3.34Å; L441-V445 PolarHBondContact O-N 3.18Å; E442-V445 PolarHBondContact O-N 3.29Å; V445-Q448 PolarHBondContact O-N 3.15Å; V445-A449 VanDerWaalsContact O-CB 3.28Å; V445-A449 WeakPolarHBondContact O-CB 3.39Å; V445-A449 PolarHBondContact O-N 3.42Å |
| 446 | R | 67.4 | Low | 57.4 | Low | 159 Ų | 159 | 108.5 Ų | 108.5 | 60% | 0.6 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.5 | -37 | 173.5 | -74.8 | -178.5 | 175.8 | 156 | 5.2 | 113.1 | E442 R443 R444 Q448 S450 | E442-R446 WeakPolarHBondContact O-CB 3.35Å; E442-R446 WeakPolarHBondContact O-CG 3.34Å; E442-R446 PolarHBondContact O-N 3.37Å; E442-R446 IonicContact OE1-CZ 3.81Å; E442-R446 IonicContact OE1-NE 3.42Å; E442-R446 IonicContact OE1-NH1 2.62Å; E442-R446 PolarHBondContact OE1-NH1 2.92Å; E442-R446 IonicContact OE1-NH2 3.03Å; E442-R446 PolarHBondContact OE1-NH2 2.9Å; R443-R446 PolarHBondContact O-N 3.32Å; R444-R446 VanDerWaalsContact C-N 3.3Å; R444-R446 PolarHBondContact O-N 3.18Å; R446-Q448 VanDerWaalsContact C-N 3.28Å; R446-S450 WeakPolarHBondContact O-CB 3.49Å; R446-S450 PolarHBondContact O-N 3.39Å; R446-S450 PolarHBondContact O-OG 3.24Å |
| 447 | A | 58.8 | Low | 56.3 | Low | 55 Ų | 55 | 108.3 Ų | 108.3 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.1 | -15.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R443 R444 S450 | R443-A447 VanDerWaalsContact O-CB 3.23Å; R443-A447 WeakPolarHBondContact O-CB 2.91Å; R443-A447 PolarHBondContact O-N 2.92Å; R444-A447 CarbonylContact O-C 3.49Å; R444-A447 PolarHBondContact O-N 3.29Å; A447-S450 CarbonylContact C-O 3.58Å |
| 448 | Q | 59.2 | Low | 55.2 | Low | 123 Ų | 123 | 117.2 Ų | 117.2 | 58% | 0.575 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -90.6 | -39.7 | 169 | -74.1 | -179.8 | -23.5 | 0 | 0 | 111.1 | R444 V445 R446 S450 | R444-Q448 WeakPolarHBondContact O-CB 3.34Å; R444-Q448 WeakPolarHBondContact O-CG 3.38Å; R444-Q448 PolarHBondContact O-N 3.33Å; V445-Q448 PolarHBondContact O-N 3.15Å; R446-Q448 VanDerWaalsContact C-N 3.28Å; Q448-S450 VanDerWaalsContact C-N 3.28Å; Q448-S450 PolarHBondContact O-N 3.26Å |
| 449 | A | 54.6 | Low | 54.5 | Low | 89 Ų | 89 | 114.5 Ų | 114.5 | 74% | 0.736 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.1 | -31.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V445 | V445-A449 VanDerWaalsContact O-CB 3.28Å; V445-A449 WeakPolarHBondContact O-CB 3.39Å; V445-A449 PolarHBondContact O-N 3.42Å |
| 450 | S | 46.7 | Very low | 53.6 | Low | 41 Ų | 41 | 113.1 Ų | 113.1 | 29% | 0.287 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -90.7 | 115.7 | 162.7 | 66.1 | 0 | 0 | 0 | 0 | 107.4 | R446 A447 Q448 I452 | R446-S450 WeakPolarHBondContact O-CB 3.49Å; R446-S450 PolarHBondContact O-N 3.39Å; R446-S450 PolarHBondContact O-OG 3.24Å; A447-S450 CarbonylContact C-O 3.58Å; Q448-S450 VanDerWaalsContact C-N 3.28Å; Q448-S450 PolarHBondContact O-N 3.26Å; S450-I452 PolarHBondContact O-N 3.29Å |
| 451 | N | 45.3 | Very low | 52.8 | Low | 165 Ų | 165 | 118.1 Ų | 118.1 | 88% | 0.882 | 63% | 0.627 | S | S | * | * | | | trans | -65.5 | 29 | 166.4 | -91.7 | -16.3 | 0 | 0 | 0 | 112.3 | I453 | N451-I453 PolarHBondContact O-N 2.98Š|
| 452 | I | 42.5 | Very low | 51.8 | Low | 114 Ų | 114 | 120.4 Ų | 120.4 | 59% | 0.585 | 64% | 0.64 | S | S | * | * | | | trans | -88 | 88 | 173.6 | -55.6 | 171.5 | 0 | 0 | 0 | 104.4 | S450 S454 | S450-I452 PolarHBondContact O-N 3.29Å; I452-S454 PolarHBondContact O-N 3.05Å |
| 453 | I | 41.3 | Very low | 50.6 | Low | 160 Ų | 160 | 122.4 Ų | 122.4 | 82% | 0.821 | 65% | 0.654 | S | S | * | * | | | trans | -57.7 | 93.9 | 147.5 | -60.5 | 169.3 | 0 | 0 | 0 | 103.4 | N451 P455 | N451-I453 PolarHBondContact O-N 2.98Å; I453-P455 VanDerWaalsContact O-CD 3.28Å; I453-P455 WeakPolarHBondContact O-CD 3.28Å; I453-P455 VanDerWaalsContact O-N 3.11Å |
| 454 | S | 37.1 | Very low | 49.3 | Very low | 81 Ų | 81 | 120.9 Ų | 120.9 | 57% | 0.566 | 66% | 0.661 | S | S | * | * | | | trans | -61.4 | 119.2 | 171.6 | 58.8 | 0 | 0 | 0 | 0 | 104.7 | I452 V456 | I452-S454 PolarHBondContact O-N 3.05Å; S454-V456 PolarHBondContact O-N 3.42Å |
| 455 | P | 37.5 | Very low | 47.9 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 75% | 0.753 | 67% | 0.673 | S | S | * | * | | | trans | -57.5 | 118.1 | 176.4 | 22.6 | -29.9 | 0 | 0 | 0 | 106.5 | I453 S457 | I453-P455 VanDerWaalsContact O-CD 3.28Å; I453-P455 WeakPolarHBondContact O-CD 3.28Å; I453-P455 VanDerWaalsContact O-N 3.11Å; P455-S457 VanDerWaalsContact C-N 3.34Å; P455-S457 PolarHBondContact O-N 3.31Å |
| 456 | V | 34.6 | Very low | 46.6 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 71% | 0.709 | 69% | 0.686 | S | S | * | * | | | trans | -60.3 | 106.4 | 167.2 | 178 | 0 | 0 | 0 | 0 | 104.5 | S454 F458 | S454-V456 PolarHBondContact O-N 3.42Å; V456-F458 PolarHBondContact O-N 3.41Å |
| 457 | S | 34.2 | Very low | 44.9 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | | | trans | -66.6 | 120.3 | 173.6 | 50 | 0 | 0 | 0 | 0 | 107.8 | P455 | P455-S457 VanDerWaalsContact C-N 3.34Å; P455-S457 PolarHBondContact O-N 3.31Å |
| 458 | F | 46.9 | Very low | 43.6 | Very low | 270 Ų | 270 | 126 Ų | 126 | 100% | 1.184 | 72% | 0.715 | S | S | * | * | | | trans | -77 | 0 | 167.2 | -71.8 | -83.1 | 0 | 0 | 0 | 110.6 | V456 | V456-F458 PolarHBondContact O-N 3.41Š|