| 1 | M | 43.9 | Very low | 51.5 | Low | 237 Ų | 237 | 117.1 Ų | 117.1 | 100% | 1.167 | 71% | 0.708 | S | S | * | * | | | | 0 | 92.1 | 0 | -70.1 | 155.3 | 170.3 | 0 | 0 | 105.3 | | |
| 2 | S | 45.6 | Very low | 51.8 | Low | 122 Ų | 122 | 116.1 Ų | 116.1 | 85% | 0.853 | 69% | 0.694 | S | S | * | * | | | trans | -106 | 105.2 | -179.7 | -56.7 | 0 | 0 | 0 | 0 | 106.3 | A4 | S2-A4 VanDerWaalsContact O-N 3.09Å; S2-A4 PolarHBondContact O-N 3.17Å |
| 3 | D | 45.7 | Very low | 52.1 | Low | 160 Ų | 160 | 109.8 Ų | 109.8 | 86% | 0.856 | 66% | 0.657 | S | S | * | * | | | trans | -62.2 | 104.2 | 176.3 | -91.4 | -105.5 | 0 | 0 | 0 | 109.7 | A5 | D3-A5 PolarHBondContact O-N 2.89Å; D3-A5 VanDerWaalsContact C-N 3.32Å; D3-A5 VanDerWaalsContact O-N 3.14Å |
| 4 | A | 51.8 | Low | 52.1 | Low | 83 Ų | 83 | 110.5 Ų | 110.5 | 69% | 0.686 | 66% | 0.663 | S | S | * | * | | | trans | -78.2 | 87.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | S2 V6 | S2-A4 VanDerWaalsContact O-N 3.09Å; S2-A4 PolarHBondContact O-N 3.17Å; A4-V6 HydrophobicContact CB-CG1 4.3Å; A4-V6 PolarHBondContact O-N 3.29Å |
| 5 | A | 54.3 | Low | 52.1 | Low | 99 Ų | 99 | 114.2 Ų | 114.2 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | | | trans | -68.6 | 79.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | D3 D7 | D3-A5 PolarHBondContact O-N 2.89Å; D3-A5 VanDerWaalsContact C-N 3.32Å; D3-A5 VanDerWaalsContact O-N 3.14Å; A5-D7 PolarHBondContact O-N 2.85Å |
| 6 | V | 54.2 | Low | 52.5 | Low | 112 Ų | 112 | 118.4 Ų | 118.4 | 68% | 0.679 | 67% | 0.668 | S | S | * | * | | | trans | -63.5 | 129.1 | 171.5 | -72.3 | 0 | 0 | 0 | 0 | 108.5 | A4 T8 | A4-V6 HydrophobicContact CB-CG1 4.3Å; A4-V6 PolarHBondContact O-N 3.29Å; V6-T8 VanDerWaalsContact C-N 3.29Å; V6-T8 PolarHBondContact O-N 3.29Å |
| 7 | D | 52.5 | Low | 52.4 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 54% | 0.54 | 67% | 0.669 | S | S | . | * | | | trans | -63 | 78 | -174.6 | -162.9 | -82.8 | 0 | 0 | 0 | 111.5 | A5 S9 S10 | A5-D7 PolarHBondContact O-N 2.85Å; D7-S9 PolarHBondContact O-N 3.12Å; D7-S10 WeakPolarHBondContact OD1-CB 3.39Å; D7-S10 PolarHBondContact OD1-N 3.04Å; D7-S10 PolarHBondContact OD1-OG 3.26Å |
| 8 | T | 59.2 | Low | 52.8 | Low | 91 Ų | 91 | 115.3 Ų | 115.3 | 56% | 0.558 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.4 | -8.2 | 170.8 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | V6 I12 | V6-T8 VanDerWaalsContact C-N 3.29Å; V6-T8 PolarHBondContact O-N 3.29Å; T8-I12 WeakPolarHBondContact O-CD1 3.49Å; T8-I12 WeakPolarHBondContact O-CG1 3.45Å |
| 9 | S | 55.7 | Low | 52.6 | Low | 66 Ų | 66 | 113.9 Ų | 113.9 | 46% | 0.462 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75 | -33.8 | -179.3 | -139.5 | 0 | 0 | 0 | 0 | 112 | D7 T13 | D7-S9 PolarHBondContact O-N 3.12Å; S9-T13 WeakPolarHBondContact O-CG2 3.24Å |
| 10 | S | 53.8 | Low | 52.8 | Low | 69 Ų | 69 | 113 Ų | 113 | 48% | 0.483 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -74.6 | -24.3 | 178.4 | -65.6 | 0 | 0 | 0 | 0 | 114.2 | D7 T13 T14 | D7-S10 WeakPolarHBondContact OD1-CB 3.39Å; D7-S10 PolarHBondContact OD1-N 3.04Å; D7-S10 PolarHBondContact OD1-OG 3.26Å; S10-T13 PolarHBondContact O-OG1 3.4Å; S10-T14 PolarHBondContact O-OG1 2.85Å; S10-T14 VanDerWaalsContact O-OG1 3.11Å |
| 11 | E | 50.4 | Low | 52.7 | Low | 148 Ų | 148 | 113 Ų | 113 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.3 | -32.3 | 177.6 | -64.5 | -166.4 | 96.5 | 0 | 0 | 112.2 | K15 | E11-K15 PolarHBondContact O-N 3.36Å |
| 12 | I | 54.3 | Low | 53.2 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 54% | 0.538 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -74.6 | -34.9 | -179.5 | -59.6 | 166.1 | 0 | 0 | 0 | 110.9 | T8 T14 W16 | T8-I12 WeakPolarHBondContact O-CD1 3.49Å; T8-I12 WeakPolarHBondContact O-CG1 3.45Å; I12-T14 PolarHBondContact O-N 2.64Å; I12-W16 PolarHBondContact O-N 3.41Å |
| 13 | T | 55.6 | Low | 53.6 | Low | 34 Ų | 34 | 113.2 Ų | 113.2 | 21% | 0.209 | 65% | 0.645 | C | S | . | * | H | α-helix | trans | -70.5 | -31.1 | -178.1 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | S9 S10 G17 L18 | S9-T13 WeakPolarHBondContact O-CG2 3.24Å; S10-T13 PolarHBondContact O-OG1 3.4Å; T13-G17 PolarHBondContact O-N 3.16Å; T13-L18 PolarHBondContact O-N 3.49Å; T13-L18 WeakPolarHBondContact CB-O 3.38Å |
| 14 | T | 52.8 | Low | 54 | Low | 120 Ų | 120 | 112 Ų | 112 | 74% | 0.736 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76.4 | -37.6 | 178 | -48.1 | 0 | 0 | 0 | 0 | 111.8 | S10 I12 W16 | S10-T14 PolarHBondContact O-OG1 2.85Å; S10-T14 VanDerWaalsContact O-OG1 3.11Å; I12-T14 PolarHBondContact O-N 2.64Å; T14-W16 VanDerWaalsContact C-N 3.29Å; T14-W16 PolarHBondContact O-N 3.24Å |
| 15 | K | 51.6 | Low | 54 | Low | 166 Ų | 166 | 113.3 Ų | 113.3 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.8 | -24.4 | 179 | -174.3 | 165.1 | 179.7 | 175 | 0 | 113.8 | E11 | E11-K15 PolarHBondContact O-N 3.36Å |
| 16 | W | 59 | Low | 53.9 | Low | 182 Ų | 182 | 116.6 Ų | 116.6 | 69% | 0.689 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -117.6 | 0.9 | -175.8 | -64.2 | 100.7 | 0 | 0 | 0 | 114.5 | I12 T14 L18 | I12-W16 PolarHBondContact O-N 3.41Å; T14-W16 VanDerWaalsContact C-N 3.29Å; T14-W16 PolarHBondContact O-N 3.24Å; W16-L18 VanDerWaalsContact C-N 3.26Å; W16-L18 HydrophobicContact CB-CD1 3.61Å; W16-L18 WeakPolarHBondContact O-CD1 3.46Å; W16-L18 PolarHBondContact O-N 3.33Å |
| 17 | G | 50.8 | Low | 53.9 | Low | 67 Ų | 67 | 118.8 Ų | 118.8 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65 | 26.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T13 | T13-G17 PolarHBondContact O-N 3.16Š|
| 18 | L | 59.2 | Low | 53.7 | Low | 113 Ų | 113 | 119.9 Ų | 119.9 | 59% | 0.592 | 67% | 0.674 | S | S | * | * | | | trans | -89.7 | 112.1 | 175.8 | -83.5 | 87.4 | 0 | 0 | 0 | 110.1 | T13 W16 | T13-L18 PolarHBondContact O-N 3.49Å; T13-L18 WeakPolarHBondContact CB-O 3.38Å; W16-L18 VanDerWaalsContact C-N 3.26Å; W16-L18 HydrophobicContact CB-CD1 3.61Å; W16-L18 WeakPolarHBondContact O-CD1 3.46Å; W16-L18 PolarHBondContact O-N 3.33Å |
| 19 | S | 49 | Very low | 53 | Low | 89 Ų | 89 | 126.8 Ų | 126.8 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | | | trans | -62.6 | 137 | 173.5 | -50.5 | 0 | 0 | 0 | 0 | 111.6 | S21 R22 | S19-S21 PolarHBondContact O-N 3.42Å; S19-R22 PolarHBondContact O-N 3.4Å |
| 20 | P | 57.4 | Low | 52.3 | Low | 96 Ų | 96 | 127.3 Ų | 127.3 | 62% | 0.623 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -57.8 | -19.5 | -177.5 | -25.3 | 32.7 | 0 | 0 | 0 | 115.3 | R22 L23 | P20-R22 PolarHBondContact O-N 3.45Å; P20-L23 PolarHBondContact O-N 3.22Å |
| 21 | S | 50.2 | Low | 51.8 | Low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -66.5 | -5.9 | -176 | -42.7 | 0 | 0 | 0 | 0 | 115 | S19 | S19-S21 PolarHBondContact O-N 3.42Š|
| 22 | R | 54.8 | Low | 51.4 | Low | 229 Ų | 229 | 128.3 Ų | 128.3 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -98.4 | 0.7 | 176.7 | -79 | -172.9 | -177.8 | -136.1 | 2.1 | 115.1 | S19 P20 V24 | S19-R22 PolarHBondContact O-N 3.4Å; P20-R22 PolarHBondContact O-N 3.45Å; R22-V24 VanDerWaalsContact C-N 3.29Å; R22-V24 PolarHBondContact O-N 2.96Å |
| 23 | L | 53.3 | Low | 51 | Low | 134 Ų | 134 | 128.5 Ų | 128.5 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | | | trans | -86.7 | 18 | 178.2 | -80.8 | 172.9 | 0 | 0 | 0 | 115 | P20 | P20-L23 PolarHBondContact O-N 3.22Š|
| 24 | V | 54.7 | Low | 50.8 | Low | 135 Ų | 135 | 133.1 Ų | 133.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -113.2 | 76.9 | 167.7 | 174.4 | 0 | 0 | 0 | 0 | 108.5 | R22 | R22-V24 VanDerWaalsContact C-N 3.29Å; R22-V24 PolarHBondContact O-N 2.96Å |
| 25 | S | 51.4 | Low | 50.1 | Low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -159.6 | 10.5 | 166.7 | -86.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 26 | L | 51.3 | Low | 49.8 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | | | trans | -123.8 | 58.6 | 177.9 | -73.4 | 164.4 | 0 | 0 | 0 | 111.4 | | |
| 27 | N | 54.5 | Low | 48.8 | Very low | 158 Ų | 158 | 124.8 Ų | 124.8 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -152.1 | 74.9 | 159.8 | -142.2 | -2.7 | 0 | 0 | 0 | 111.9 | | |
| 28 | S | 48.3 | Very low | 48.2 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -166.5 | 75.2 | 165.1 | -81 | 0 | 0 | 0 | 0 | 110.1 | | |
| 29 | R | 46.1 | Very low | 47.5 | Very low | 237 Ų | 237 | 127.4 Ų | 127.4 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | trans | -135.4 | 105.3 | 154.5 | -98 | -177.5 | -100.1 | -140.7 | -2.3 | 107.5 | | |
| 30 | G | 39.3 | Very low | 47.5 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -59.5 | 140.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 31 | S | 43.2 | Very low | 46.2 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | | | trans | -64 | 129.5 | 162.6 | -50.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 32 | P | 43.8 | Very low | 45.7 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | trans | -84.2 | 114.5 | 161.2 | 29.1 | -26.6 | 0 | 0 | 0 | 109.6 | | |
| 33 | S | 44.9 | Very low | 45.2 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -62 | 143.6 | 168.4 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 34 | P | 51 | Low | 44.9 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | | | trans | -97.5 | 115 | 171.4 | 33.9 | -26.2 | 0 | 0 | 0 | 110.5 | | |
| 35 | S | 39.3 | Very low | 44.5 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | | | trans | -151.5 | 116.5 | 161.5 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 36 | A | 44.9 | Very low | 44.1 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | | | trans | 53.1 | 111.9 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 37 | G | 38.5 | Very low | 43.8 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | trans | -179.2 | 89.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 38 | A | 37.5 | Very low | 43.5 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | 63.2 | 100.8 | 148 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 39 | T | 44.5 | Very low | 43.5 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | -68.9 | 157.3 | 132.1 | 42.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 40 | P | 48.8 | Very low | 43.8 | Very low | 108 Ų | 108 | 121.8 Ų | 121.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | cis | -155.1 | -177.5 | 43.6 | 39.2 | -14.9 | 0 | 0 | 0 | 118.7 | | |
| 41 | C | 30.3 | Very low | 44.4 | Very low | 117 Ų | 117 | 125 Ų | 125 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | trans | 81.2 | 113.3 | 155.7 | -50.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 42 | R | 40.4 | Very low | 44.3 | Very low | 240 Ų | 240 | 123.8 Ų | 123.8 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | | | | 176 | 128.9 | 80.8 | -173 | 165 | 179.5 | -123.5 | 2.7 | 110.5 | | |
| 43 | A | 44.4 | Very low | 44.5 | Very low | 95 Ų | 95 | 124.3 Ų | 124.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -56.7 | 136.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 44 | R | 45.9 | Very low | 44.7 | Very low | 237 Ų | 237 | 124.7 Ų | 124.7 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | | | trans | -142.1 | 108.6 | 146.7 | -154.1 | 161 | 166 | -94 | -0.6 | 109 | | |
| 45 | S | 47.3 | Very low | 44.5 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -48.8 | 128.7 | 172.3 | 53.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 46 | G | 42.9 | Very low | 44.6 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -161.4 | 87.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | M48 | G46-M48 PolarHBondContact O-N 2.81Š|
| 47 | A | 44.5 | Very low | 44.5 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | -60.1 | 128.5 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 48 | M | 46.8 | Very low | 45.1 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | trans | -130.1 | 128.9 | 162.7 | -71.2 | -103.1 | 90.8 | 0 | 0 | 107.6 | G46 | G46-M48 PolarHBondContact O-N 2.81Š|
| 49 | P | 49.5 | Very low | 45.3 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | trans | -73.4 | 151.6 | -172.4 | 29 | -34.2 | 0 | 0 | 0 | 112.8 | T51 | P49-T51 PolarHBondContact O-N 3.35Š|
| 50 | A | 51.1 | Low | 44.8 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -54 | 127.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 51 | T | 53.2 | Low | 44.6 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | 161.6 | 88.2 | 136.7 | 36.8 | 0 | 0 | 0 | 0 | 109 | P49 | P49-T51 PolarHBondContact O-N 3.35Š|
| 52 | A | 41.3 | Very low | 45.4 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -155.3 | 108.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | T54 | A52-T54 PolarHBondContact O-N 2.71Š|
| 53 | V | 48.3 | Very low | 45.5 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -62.6 | 102 | 165.4 | 176.1 | 0 | 0 | 0 | 0 | 106.6 | L55 | V53-L55 HydrophobicContact CG1-CD1 4.15Å; V53-L55 PolarHBondContact O-N 3.42Å; V53-L55 VanDerWaalsContact O-N 3.1Å |
| 54 | T | 47.9 | Very low | 45.7 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | | | trans | -74.7 | 95.5 | 171.4 | -55.3 | 0 | 0 | 0 | 0 | 108.3 | A52 C56 | A52-T54 PolarHBondContact O-N 2.71Å; T54-C56 PolarHBondContact O-N 2.77Å |
| 55 | L | 47.8 | Very low | 45.6 | Very low | 143 Ų | 143 | 125 Ų | 125 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -66.4 | 107.2 | 156.1 | -99.9 | 96.8 | 0 | 0 | 0 | 107.5 | V53 S57 | V53-L55 HydrophobicContact CG1-CD1 4.15Å; V53-L55 PolarHBondContact O-N 3.42Å; V53-L55 VanDerWaalsContact O-N 3.1Å; L55-S57 VanDerWaalsContact C-N 3.27Å; L55-S57 PolarHBondContact O-N 3.47Å |
| 56 | C | 41.8 | Very low | 45.2 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | | | trans | -67.4 | 84.8 | 165.6 | -75.6 | 0 | 0 | 0 | 0 | 109.8 | T54 K58 | T54-C56 PolarHBondContact O-N 2.77Å; C56-K58 PolarHBondContact O-N 3.27Å; C56-K58 VanDerWaalsContact O-N 3.14Å |
| 57 | S | 41.5 | Very low | 44.9 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -71.5 | 99.3 | 158.4 | -79.5 | 0 | 0 | 0 | 0 | 108.2 | L55 H59 | L55-S57 VanDerWaalsContact C-N 3.27Å; L55-S57 PolarHBondContact O-N 3.47Å; S57-H59 PolarHBondContact O-N 3.34Å |
| 58 | K | 51 | Low | 44.9 | Very low | 200 Ų | 200 | 123.2 Ų | 123.2 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | -58.1 | 118.1 | 169 | -82.1 | 165.7 | 171.8 | 172.2 | 0 | 109 | C56 | C56-K58 PolarHBondContact O-N 3.27Å; C56-K58 VanDerWaalsContact O-N 3.14Å |
| 59 | H | 42.8 | Very low | 44.6 | Very low | 191 Ų | 191 | 122 Ų | 122 | 88% | 0.884 | 79% | 0.79 | S | S | * | * | | | trans | -58.1 | 134.1 | 165.3 | -81 | -69.7 | 0 | 0 | 0 | 111 | S57 | S57-H59 PolarHBondContact O-N 3.34Š|
| 60 | G | 33.7 | Very low | 44.5 | Very low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | trans | -106.7 | 131.8 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | T62 | G60-T62 PolarHBondContact O-N 3.15Š|
| 61 | P | 44.2 | Very low | 44.2 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -82.1 | 110.5 | 174.3 | 31.1 | -30.1 | 0 | 0 | 0 | 109.6 | S63 | P61-S63 PolarHBondContact O-N 3.14Š|
| 62 | T | 48 | Very low | 44.1 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | | | trans | -80.8 | 109.4 | 165.1 | 51.8 | 0 | 0 | 0 | 0 | 108.5 | G60 | G60-T62 PolarHBondContact O-N 3.15Š|
| 63 | S | 42 | Very low | 44.5 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -45.3 | 130.9 | 176.1 | -51.3 | 0 | 0 | 0 | 0 | 112.7 | P61 L65 | P61-S63 PolarHBondContact O-N 3.14Å; S63-L65 PolarHBondContact O-N 3.1Å |
| 64 | A | 47.9 | Very low | 44.6 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -62.1 | 119 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 65 | L | 45 | Very low | 44.9 | Very low | 173 Ų | 173 | 129 Ų | 129 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | -123.5 | 108.5 | 154.5 | -84.5 | 166.2 | 0 | 0 | 0 | 106.9 | S63 | S63-L65 PolarHBondContact O-N 3.1Š|
| 66 | G | 38.7 | Very low | 44.8 | Very low | 85 Ų | 85 | 130 Ų | 130 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | | | trans | -72.3 | 137.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 67 | G | 36.4 | Very low | 45 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -149.6 | 86.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | L69 | G67-L69 PolarHBondContact O-N 3.23Š|
| 68 | S | 43.5 | Very low | 45.1 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | | | trans | -71.4 | 103.4 | 174.4 | 163.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 69 | L | 41.1 | Very low | 45.2 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | | | trans | -120 | 96.1 | 155.3 | -154.2 | 65.9 | 0 | 0 | 0 | 108.5 | G67 H71 | G67-L69 PolarHBondContact O-N 3.23Å; L69-H71 PolarHBondContact O-N 2.92Å |
| 70 | R | 47 | Very low | 45.3 | Very low | 212 Ų | 212 | 129.9 Ų | 129.9 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -80.2 | 107.1 | 172.4 | -74.9 | -176.7 | -91.4 | -120 | -1.8 | 108.2 | | |
| 71 | H | 46.1 | Very low | 46.1 | Very low | 165 Ų | 165 | 135 Ų | 135 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | -113.9 | 112.4 | 147.1 | -70.2 | -72.3 | 0 | 0 | 0 | 107.7 | L69 | L69-H71 PolarHBondContact O-N 2.92Š|
| 72 | T | 51.3 | Low | 46.4 | Very low | 137 Ų | 137 | 141 Ų | 141 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | trans | -73.7 | 119.4 | 169.1 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 73 | A | 47.8 | Very low | 46 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | | | trans | 155.1 | 110.7 | 157.1 | 0 | 0 | 0 | 0 | 0 | 104.3 | | |
| 74 | T | 51.4 | Low | 46.3 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | | -156.3 | 117.9 | 75.7 | 45 | 0 | 0 | 0 | 0 | 110.8 | F76 | T74-F76 PolarHBondContact O-N 3.45Š|
| 75 | A | 54 | Low | 46.2 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | -77.4 | 102 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 76 | F | 46.5 | Very low | 46.4 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | trans | -157.7 | 90.5 | 164.7 | -161.8 | -107.1 | 0 | 0 | 0 | 111.3 | T74 | T74-F76 PolarHBondContact O-N 3.45Š|
| 77 | Q | 44.9 | Very low | 47.2 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | | | trans | 81.4 | 61.7 | 141.7 | -142.9 | 164.2 | 89.5 | 0 | 0 | 119.8 | | |
| 78 | E | 44.8 | Very low | 48.2 | Very low | 204 Ų | 204 | 134.9 Ų | 134.9 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | | | trans | -93.9 | 91.4 | 153.2 | -79.6 | -76.1 | 149.6 | 0 | 0 | 108.7 | | |
| 79 | G | 51.6 | Low | 47.8 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | -165 | 13.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 80 | F | 45.8 | Very low | 48.4 | Very low | 184 Ų | 184 | 143 Ų | 143 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -103.6 | 2.6 | -168.7 | -164.2 | -105.7 | 0 | 0 | 0 | 116.3 | | |
| 81 | L | 50.8 | Low | 48.5 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -124.3 | 31.5 | -179.2 | -64.8 | 177.1 | 0 | 0 | 0 | 114.8 | | |
| 82 | R | 49.3 | Very low | 48.6 | Very low | 251 Ų | 251 | 134.9 Ų | 134.9 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -141.8 | 48.6 | 169.8 | -144.4 | 172.2 | -177.2 | -97.2 | 2 | 112.8 | | |
| 83 | G | 40.8 | Very low | 48.7 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | -128 | 104 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | A85 | G83-A85 PolarHBondContact O-N 3.18Š|
| 84 | G | 47.4 | Very low | 48.8 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 133.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 85 | A | 45.9 | Very low | 48.4 | Very low | 86 Ų | 86 | 134.6 Ų | 134.6 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 131.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | G83 S87 | G83-A85 PolarHBondContact O-N 3.18Å; A85-S87 PolarHBondContact O-N 3.46Å |
| 86 | P | 49.4 | Very low | 48.4 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 59% | 0.591 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.2 | 168.1 | 26.1 | -31.4 | 0 | 0 | 0 | 108.9 | S88 | P86-S88 PolarHBondContact O-N 3.05Š|
| 87 | S | 55.1 | Low | 48.9 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 95% | 0.951 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 14.8 | -175.6 | 52.4 | 0 | 0 | 0 | 0 | 115.4 | A85 | A85-S87 PolarHBondContact O-N 3.46Š|
| 88 | S | 58.3 | Low | 49.2 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 2.5 | -178.5 | 63.2 | 0 | 0 | 0 | 0 | 114.2 | P86 K90 | P86-S88 PolarHBondContact O-N 3.05Å; S88-K90 PolarHBondContact O-N 3.39Å |
| 89 | W | 35.3 | Very low | 49.7 | Very low | 222 Ų | 222 | 128.6 Ų | 128.6 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | | | trans | -76.6 | 99.4 | 177.8 | -132.4 | -20.4 | 0 | 0 | 0 | 111.1 | P91 | W89-P91 WeakPolarHBondContact O-CD 3.37Š|
| 90 | K | 52 | Low | 50 | Low | 188 Ų | 188 | 134 Ų | 134 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | | | trans | -85.2 | 115.5 | 164.1 | -66.1 | 179.1 | 172.4 | -171.7 | 0 | 107.9 | S88 A92 | S88-K90 PolarHBondContact O-N 3.39Å; K90-A92 PolarHBondContact O-N 3.39Å; K90-A92 VanDerWaalsContact O-N 3.12Å |
| 91 | P | 50.5 | Low | 50.4 | Low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | | | trans | -70.4 | 112.1 | 168.7 | 27.7 | -30.1 | 0 | 0 | 0 | 108 | W89 A93 | W89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-A93 PolarHBondContact O-N 3.33Å |
| 92 | A | 47.3 | Very low | 50.7 | Low | 85 Ų | 85 | 130.5 Ų | 130.5 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | | | trans | -66.6 | 118.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | K90 K94 | K90-A92 PolarHBondContact O-N 3.39Å; K90-A92 VanDerWaalsContact O-N 3.12Å; A92-K94 PolarHBondContact O-N 3.22Å |
| 93 | A | 53.4 | Low | 51.1 | Low | 108 Ų | 108 | 126 Ų | 126 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | | | trans | -55.8 | 98.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P91 | P91-A93 PolarHBondContact O-N 3.33Š|
| 94 | K | 50.6 | Low | 51.6 | Low | 199 Ų | 199 | 130.4 Ų | 130.4 | 87% | 0.865 | 73% | 0.726 | S | S | * | * | | | trans | -131.4 | 114.5 | 168.8 | -97.4 | 179.9 | 176.2 | 165.1 | 0 | 107.8 | A92 | A92-K94 PolarHBondContact O-N 3.22Š|
| 95 | G | 42.5 | Very low | 51.9 | Low | 43 Ų | 43 | 132 Ų | 132 | 44% | 0.443 | 72% | 0.72 | S | S | . | * | | | trans | 105.6 | 80.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 115 | Q97 D98 | G95-Q97 PolarHBondContact O-N 3.04Å; G95-D98 PolarHBondContact O-N 3.11Å |
| 96 | V | 54.1 | Low | 52.1 | Low | 131 Ų | 131 | 132.2 Ų | 132.2 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 5.4 | 154.1 | -114 | 0 | 0 | 0 | 0 | 113.4 | | |
| 97 | Q | 56.3 | Low | 52.3 | Low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -28.2 | 178.5 | -65 | 163.7 | 24.8 | 0 | 0 | 111.6 | G95 L99 | G95-Q97 PolarHBondContact O-N 3.04Å; Q97-L99 PolarHBondContact O-N 3.37Å |
| 98 | D | 52.6 | Low | 52.1 | Low | 81 Ų | 81 | 136.8 Ų | 136.8 | 43% | 0.433 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -79 | 0.1 | 178.7 | 175.8 | -107.5 | 0 | 0 | 0 | 113.6 | G95 K102 | G95-D98 PolarHBondContact O-N 3.11Å; D98-K102 IonicContact OD2-NZ 2.64Å; D98-K102 WeakPolarHBondContact OD2-CE 3.43Å; D98-K102 PolarHBondContact OD1-NZ 3.47Å; D98-K102 WeakPolarHBondContact OD1-CE 3.11Å; D98-K102 VanDerWaalsContact OD1-CE 3.24Å; D98-K102 WeakPolarHBondContact O-CG 3.42Å; D98-K102 WeakPolarHBondContact O-CD 3.45Å; D98-K102 IonicContact OD1-NZ 3.5Å |
| 99 | L | 54.6 | Low | 52 | Low | 128 Ų | 128 | 136 Ų | 136 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -92 | -14.8 | 177 | -82.6 | 154.5 | 0 | 0 | 0 | 113.4 | Q97 | Q97-L99 PolarHBondContact O-N 3.37Å |
| 100 | K | 58 | Low | 52.8 | Low | 180 Ų | 180 | 133.3 Ų | 133.3 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -86.6 | -43.4 | 176.9 | -88.4 | 176.1 | 177.1 | 164.6 | 0 | 112.5 | K102 K103 | K100-K102 VanDerWaalsContact C-N 3.32Å; K100-K102 PolarHBondContact O-N 3.49Å; K100-K103 PolarHBondContact O-N 3.47Å |
| 101 | E | 53.7 | Low | 53.1 | Low | 149 Ų | 149 | 131.5 Ų | 131.5 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -66.2 | -31.5 | 179.3 | -76.2 | 173.7 | 87.4 | 0 | 0 | 112.8 | K103 E104 | E101-K103 VanDerWaalsContact C-N 3.27Å; E101-K103 PolarHBondContact O-N 2.99Å; E101-E104 PolarHBondContact O-N 3.05Å |
| 102 | K | 57 | Low | 53.2 | Low | 131 Ų | 131 | 129.2 Ų | 129.2 | 57% | 0.57 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -74.1 | -11.5 | 177.8 | -70.1 | 179 | 176.9 | 166.5 | 0 | 114.9 | D98 K100 | D98-K102 IonicContact OD2-NZ 2.64Å; D98-K102 WeakPolarHBondContact OD2-CE 3.43Å; D98-K102 PolarHBondContact OD1-NZ 3.47Å; D98-K102 WeakPolarHBondContact OD1-CE 3.11Å; D98-K102 VanDerWaalsContact OD1-CE 3.24Å; D98-K102 WeakPolarHBondContact O-CG 3.42Å; D98-K102 WeakPolarHBondContact O-CD 3.45Å; D98-K102 IonicContact OD1-NZ 3.5Å; K100-K102 VanDerWaalsContact C-N 3.32Å; K100-K102 PolarHBondContact O-N 3.49Å |
| 103 | K | 59 | Low | 54 | Low | 158 Ų | 158 | 135.9 Ų | 135.9 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -87.3 | -27.1 | 177.9 | -160.9 | 171.3 | 179.3 | 176.5 | 0 | 112.2 | K100 E101 | K100-K103 PolarHBondContact O-N 3.47Å; E101-K103 VanDerWaalsContact C-N 3.27Å; E101-K103 PolarHBondContact O-N 2.99Å |
| 104 | E | 51.6 | Low | 54.4 | Low | 162 Ų | 162 | 138.2 Ų | 138.2 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -72.7 | -41.3 | 176.1 | -170.9 | 177.9 | 109.8 | 0 | 0 | 111.9 | E101 V106 E107 | E101-E104 PolarHBondContact O-N 3.05Å; E104-V106 VanDerWaalsContact O-N 3.16Å; E104-V106 PolarHBondContact O-N 3.28Å; E104-E107 PolarHBondContact O-N 3.02Å |
| 105 | V | 51.8 | Low | 54.7 | Low | 110 Ų | 110 | 132.7 Ų | 132.7 | 67% | 0.667 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -63.4 | -21.2 | 176.1 | 165.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 106 | V | 51.6 | Low | 55.4 | Low | 91 Ų | 91 | 136.3 Ų | 136.3 | 55% | 0.552 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -79.7 | -29.4 | 179.9 | 119.9 | 0 | 0 | 0 | 0 | 112.6 | E104 | E104-V106 VanDerWaalsContact O-N 3.16Å; E104-V106 PolarHBondContact O-N 3.28Å |
| 107 | E | 53.4 | Low | 55.6 | Low | 151 Ų | 151 | 134.5 Ų | 134.5 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -79.2 | -25.9 | 179.8 | -71.2 | -156.9 | 104.1 | 0 | 0 | 112.6 | E104 | E104-E107 PolarHBondContact O-N 3.02Å |
| 108 | E | 51.3 | Low | 55.4 | Low | 173 Ų | 173 | 133.7 Ų | 133.7 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -74.9 | -29.9 | 176.2 | -161.4 | 178.4 | 107.8 | 0 | 0 | 112.8 | | |
| 109 | A | 55.2 | Low | 55 | Low | 81 Ų | 81 | 133.1 Ų | 133.1 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -80.2 | -19.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 110 | E | 52.2 | Low | 55.1 | Low | 166 Ų | 166 | 133.8 Ų | 133.8 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -99.8 | -23.6 | -177.8 | -152 | 166.9 | 109.2 | 0 | 0 | 112.9 | G112 | E110-G112 PolarHBondContact O-N 2.56Å |
| 111 | N | 58.4 | Low | 55.1 | Low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 2.2 | -177.2 | -135.1 | 98.7 | 0 | 0 | 0 | 115 | | |
| 112 | G | 53.5 | Low | 55.2 | Low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 6.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E110 | E110-G112 PolarHBondContact O-N 2.56Š|
| 113 | R | 62.1 | Low | 55.1 | Low | 224 Ų | 224 | 130.8 Ų | 130.8 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | | | trans | -122.9 | 35.7 | -171.9 | -156.6 | -171.6 | 167 | 154.3 | -2 | 113.6 | | |
| 114 | D | 62.9 | Low | 54.9 | Low | 158 Ų | 158 | 131.5 Ų | 131.5 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | | | trans | -135.4 | 72.5 | 169.8 | -140.6 | -77.9 | 0 | 0 | 0 | 112 | | |
| 115 | A | 56.5 | Low | 54.9 | Low | 82 Ų | 82 | 133.1 Ų | 133.1 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | trans | -169.5 | 105.8 | 145.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | A117 | A115-A117 PolarHBondContact O-N 2.95Š|
| 116 | P | 58.3 | Low | 55 | Low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -67.4 | 92.7 | 149.2 | 29.9 | -28.6 | 0 | 0 | 0 | 105.9 | N118 | P116-N118 PolarHBondContact O-N 2.84Š|
| 117 | A | 57.8 | Low | 55.3 | Low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | trans | -66 | 84.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | A115 G119 | A115-A117 PolarHBondContact O-N 2.95Å; A117-G119 PolarHBondContact O-N 3.22Å |
| 118 | N | 52.7 | Low | 55.4 | Low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -66.6 | 74.6 | 162.9 | 63.4 | -10.8 | 0 | 0 | 0 | 107.4 | P116 N120 | P116-N118 PolarHBondContact O-N 2.84Å; N118-N120 PolarHBondContact O-N 3.41Å |
| 119 | G | 44.2 | Very low | 55.7 | Low | 69 Ų | 69 | 136.5 Ų | 136.5 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | -65 | 78.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A117 A121 | A117-G119 PolarHBondContact O-N 3.22Å; G119-A121 PolarHBondContact O-N 2.85Å |
| 120 | N | 54.9 | Low | 55.6 | Low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | -82.8 | 57.1 | 152.1 | -176 | 40.6 | 0 | 0 | 0 | 108.3 | N118 | N118-N120 PolarHBondContact O-N 3.41Š|
| 121 | A | 59.4 | Low | 55.9 | Low | 74 Ų | 74 | 137.4 Ų | 137.4 | 61% | 0.612 | 79% | 0.786 | S | S | * | * | | | trans | -110.4 | 37.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G119 | G119-A121 PolarHBondContact O-N 2.85Š|
| 122 | Q | 54.2 | Low | 55.8 | Low | 190 Ų | 190 | 137.9 Ų | 137.9 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -141.1 | 71.1 | 163.1 | -73.7 | -169.5 | -73.7 | 0 | 0 | 108.7 | | |
| 123 | N | 55.4 | Low | 56.1 | Low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -124.2 | 33.7 | 159.5 | -171.5 | 76 | 0 | 0 | 0 | 109.8 | | |
| 124 | E | 56.3 | Low | 56 | Low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | trans | -102.6 | -1 | -179.4 | -75.1 | 176.5 | 113.5 | 0 | 0 | 113.2 | N126 | E124-N126 PolarHBondContact O-N 3.14Š|
| 125 | E | 50.2 | Low | 55.6 | Low | 196 Ų | 196 | 137.6 Ų | 137.6 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -98.7 | 52.7 | 170.6 | -159.6 | -165.9 | 121.7 | 0 | 0 | 111.3 | | |
| 126 | N | 54.8 | Low | 55.7 | Low | 153 Ų | 153 | 140.9 Ų | 140.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -144 | 42.1 | 161.4 | -169.8 | 56.8 | 0 | 0 | 0 | 110 | E124 | E124-N126 PolarHBondContact O-N 3.14Š|
| 127 | G | 57.4 | Low | 55.7 | Low | 63 Ų | 63 | 143 Ų | 143 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -133.1 | -16.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 128 | E | 54.7 | Low | 55.5 | Low | 183 Ų | 183 | 146.6 Ų | 146.6 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -148.7 | 84.4 | -169.4 | -58.3 | -176.2 | 160.3 | 0 | 0 | 110.9 | | |
| 129 | Q | 58.5 | Low | 55.4 | Low | 198 Ų | 198 | 147.6 Ų | 147.6 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | | | trans | -127.8 | 110.7 | 139.2 | -154.2 | 171.5 | -5.5 | 0 | 0 | 107.9 | | |
| 130 | E | 54.1 | Low | 55.7 | Low | 169 Ų | 169 | 152.6 Ų | 152.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -64.7 | 149.5 | -166.1 | -59 | -168.3 | 135.7 | 0 | 0 | 111.6 | D132 | E130-D132 PolarHBondContact O-N 3.09Å; E130-D132 VanDerWaalsContact O-N 3.15Å |
| 131 | A | 58.3 | Low | 55.6 | Low | 97 Ų | 97 | 154.9 Ų | 154.9 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -62 | 109.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 132 | D | 54.7 | Low | 55 | Low | 161 Ų | 161 | 154.9 Ų | 154.9 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -108.9 | 83 | 151.9 | -109.4 | -63.3 | 0 | 0 | 0 | 107.2 | E130 | E130-D132 PolarHBondContact O-N 3.09Å; E130-D132 VanDerWaalsContact O-N 3.15Å |
| 133 | N | 60 | Low | 54.5 | Low | 152 Ų | 152 | 149.2 Ų | 149.2 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | trans | -97.8 | 88.5 | 163 | 174.7 | 86 | 0 | 0 | 0 | 107.1 | | |
| 134 | E | 60.3 | Low | 54.2 | Low | 170 Ų | 170 | 151.8 Ų | 151.8 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -152.2 | 91.7 | 159.6 | -156.1 | 172.5 | 160.1 | 0 | 0 | 109.5 | | |
| 135 | V | 54 | Low | 53.9 | Low | 129 Ų | 129 | 156.6 Ų | 156.6 | 78% | 0.782 | 83% | 0.833 | S | S | * | * | | | trans | -135.3 | 82.8 | 150 | 109.1 | 0 | 0 | 0 | 0 | 106.4 | E137 | V135-E137 HydrophobicContact CG2-CG 4.47Š|
| 136 | D | 58.7 | Low | 54.1 | Low | 150 Ų | 150 | 154.6 Ų | 154.6 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | | | trans | -86.6 | 101.3 | 152.9 | -178.7 | 50.7 | 0 | 0 | 0 | 105.4 | | |
| 137 | E | 58.1 | Low | 54 | Low | 165 Ų | 165 | 154.7 Ų | 154.7 | 77% | 0.771 | 83% | 0.829 | S | S | * | * | | | trans | -135.8 | 97.5 | 163.8 | -73.6 | -169.9 | 164.8 | 0 | 0 | 107 | V135 | V135-E137 HydrophobicContact CG2-CG 4.47Š|
| 138 | E | 55.3 | Low | 53.9 | Low | 168 Ų | 168 | 159.8 Ų | 159.8 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | | | trans | 42.6 | 111.4 | 138.7 | -54.7 | -164 | 145.6 | 0 | 0 | 117.6 | | |
| 139 | E | 48.9 | Very low | 53.8 | Low | 164 Ų | 164 | 158.4 Ų | 158.4 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | | | | 77.4 | 120.4 | 90.1 | -140.3 | -177.2 | -174.7 | 0 | 0 | 113 | | |
| 140 | E | 52.3 | Low | 53.5 | Low | 174 Ų | 174 | 155.9 Ų | 155.9 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | | | trans | 70.9 | 113.7 | 151.1 | -128.9 | 174.8 | 173.3 | 0 | 0 | 119.5 | | |
| 141 | E | 52.7 | Low | 53.5 | Low | 190 Ų | 190 | 155.1 Ų | 155.1 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | | | | 165.7 | 130.5 | 102.4 | -168.9 | 173.8 | -175.8 | 0 | 0 | 111.9 | | |
| 142 | G | 45.9 | Very low | 53.1 | Low | 75 Ų | 75 | 159.2 Ų | 159.2 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | | | trans | 86.4 | 112.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 143 | G | 44 | Very low | 53 | Low | 71 Ų | 71 | 159.1 Ų | 159.1 | 73% | 0.732 | 84% | 0.836 | S | S | * | * | | | cis | 122.8 | 103.1 | 37.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 144 | E | 48 | Very low | 52.4 | Low | 186 Ų | 186 | 159.7 Ų | 159.7 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | | | trans | 25.7 | 115.9 | 147.5 | -21.4 | -172.5 | 167.5 | 0 | 0 | 118.5 | | |
| 145 | E | 50.8 | Low | 51.7 | Low | 274 Ų | 274 | 158.7 Ų | 158.7 | 100% | 1.28 | 84% | 0.842 | S | S | * | * | | | | -179.3 | 0 | 105.7 | 54.8 | -166.2 | 123.5 | 0 | 0 | 113.4 | | |