| 1 | M | 44.8 | Very low | 50 | Low | 236 Ų | 236 | 150.7 Ų | 150.7 | 100% | 1.163 | 83% | 0.828 | S | S | * | * | | | | 0 | 113.9 | 0 | -57.4 | -158.4 | 96.2 | 0 | 0 | 107.6 | | |
| 2 | P | 43.9 | Very low | 50.4 | Low | 139 Ų | 139 | 145.6 Ų | 145.6 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | | | trans | -81.2 | 119.7 | 179.9 | -7.1 | 25.1 | 0 | 0 | 0 | 110.1 | | |
| 3 | G | 45.9 | Very low | 50.4 | Low | 67 Ų | 67 | 144 Ų | 144 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | | | trans | -92.7 | 120.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 4 | H | 60.2 | Low | 50.3 | Low | 186 Ų | 186 | 138.9 Ų | 138.9 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -142.8 | 96.1 | 155.1 | -94.1 | -80.6 | 0 | 0 | 0 | 106.1 | | |
| 5 | Q | 52.8 | Low | 50.5 | Low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -79.9 | 121.9 | 171.9 | -72.3 | -167.5 | -46.7 | 0 | 0 | 108.8 | | |
| 6 | S | 51.2 | Low | 50.5 | Low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -100.8 | 111 | 178 | -56.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 7 | H | 52.7 | Low | 50.9 | Low | 140 Ų | 140 | 133.9 Ų | 133.9 | 65% | 0.648 | 80% | 0.795 | S | S | * | * | | | trans | -143.7 | 72.8 | 177.3 | -67.5 | -59.8 | 0 | 0 | 0 | 111.7 | | |
| 8 | Y | 48.5 | Very low | 51 | Low | 243 Ų | 243 | 134.3 Ų | 134.3 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | | | trans | -142.5 | 73.2 | 148.9 | -70.9 | -72.5 | 0 | 0 | 0 | 108 | | |
| 9 | S | 51 | Low | 51.4 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -108.4 | 96.2 | 159.9 | -63.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 10 | D | 47.8 | Very low | 51.5 | Low | 135 Ų | 135 | 129.6 Ų | 129.6 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | -121.8 | 72.4 | 161.1 | -152 | -8.2 | 0 | 0 | 0 | 108.4 | S12 | D10-S12 PolarHBondContact O-N 3.09Å; D10-S12 WeakPolarHBondContact OD1-CB 3.29Å; D10-S12 PolarHBondContact OD1-OG 3.28Å |
| 11 | S | 51.7 | Low | 52 | Low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -86.2 | 26.6 | 177.6 | -55.5 | 0 | 0 | 0 | 0 | 112 | | |
| 12 | S | 54.9 | Low | 52.6 | Low | 89 Ų | 89 | 127 Ų | 127 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | | | trans | -97.7 | 4.2 | -166 | 68.3 | 0 | 0 | 0 | 0 | 115.6 | D10 | D10-S12 PolarHBondContact O-N 3.09Å; D10-S12 WeakPolarHBondContact OD1-CB 3.29Å; D10-S12 PolarHBondContact OD1-OG 3.28Å |
| 13 | V | 49.2 | Very low | 53.1 | Low | 125 Ų | 125 | 126.9 Ų | 126.9 | 76% | 0.758 | 74% | 0.743 | S | S | * | * | | | trans | -126.9 | 55.3 | 178.6 | -148.3 | 0 | 0 | 0 | 0 | 111.8 | L15 | V13-L15 PolarHBondContact O-N 3.31Š|
| 14 | G | 49.8 | Very low | 53.4 | Low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | trans | -71.7 | 108.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 15 | L | 53.5 | Low | 53.2 | Low | 125 Ų | 125 | 128.3 Ų | 128.3 | 65% | 0.654 | 74% | 0.741 | S | S | * | * | | | trans | -61.7 | 131.9 | 169.2 | -68.4 | 172 | 0 | 0 | 0 | 109.3 | V13 G17 | V13-L15 PolarHBondContact O-N 3.31Å; L15-G17 PolarHBondContact O-N 3.17Å; L15-G17 VanDerWaalsContact O-N 3.09Å |
| 16 | P | 50.6 | Low | 52.9 | Low | 135 Ų | 135 | 126.1 Ų | 126.1 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 116.4 | 176.5 | 23.8 | -30.3 | 0 | 0 | 0 | 109.3 | | |
| 17 | G | 56 | Low | 52.8 | Low | 72 Ų | 72 | 124.6 Ų | 124.6 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 121.1 | 1.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | L15 P19 | L15-G17 PolarHBondContact O-N 3.17Å; L15-G17 VanDerWaalsContact O-N 3.09Å; G17-P19 WeakPolarHBondContact O-CD 3.43Å |
| 18 | L | 53.7 | Low | 52.9 | Low | 141 Ų | 141 | 124.9 Ų | 124.9 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | trans | -101.5 | 107.8 | 171.2 | -71.5 | 172.5 | 0 | 0 | 0 | 110.4 | S20 | L18-S20 PolarHBondContact O-N 2.71Š|
| 19 | P | 58.9 | Low | 53.2 | Low | 111 Ų | 111 | 120.9 Ų | 120.9 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | | | trans | -62.5 | 134.7 | 174.7 | 24.6 | -30.8 | 0 | 0 | 0 | 109.6 | G17 | G17-P19 WeakPolarHBondContact O-CD 3.43Š|
| 20 | S | 53 | Low | 53.2 | Low | 63 Ų | 63 | 124.9 Ų | 124.9 | 44% | 0.441 | 74% | 0.735 | S | S | . | * | | | trans | -60.7 | 135 | 178.6 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | L18 Y22 D23 | L18-S20 PolarHBondContact O-N 2.71Å; S20-Y22 PolarHBondContact O-N 3.44Å; S20-D23 PolarHBondContact O-N 2.63Å |
| 21 | P | 62.6 | Low | 53.4 | Low | 122 Ų | 122 | 121.2 Ų | 121.2 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -0.5 | 179.6 | 27.3 | -33.7 | 0 | 0 | 0 | 113.4 | | |
| 22 | Y | 57.3 | Low | 53.5 | Low | 189 Ų | 189 | 121.9 Ų | 121.9 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 7.3 | 178.8 | -57.8 | -74.6 | 0 | 0 | 0 | 114 | S20 T24 | S20-Y22 PolarHBondContact O-N 3.44Å; Y22-T24 PolarHBondContact O-N 3.35Å; Y22-T24 PolarHBondContact O-OG1 3.44Å |
| 23 | D | 53.2 | Low | 53.7 | Low | 136 Ų | 136 | 124.1 Ų | 124.1 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | | | trans | -70.6 | 77.6 | 168.1 | -89.7 | -39.3 | 0 | 0 | 0 | 109.8 | S20 | S20-D23 PolarHBondContact O-N 2.63Š|
| 24 | T | 53.3 | Low | 54.1 | Low | 112 Ų | 112 | 122 Ų | 122 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | | | trans | -79 | 122.7 | 172.1 | -30.5 | 0 | 0 | 0 | 0 | 105.7 | Y22 | Y22-T24 PolarHBondContact O-N 3.35Å; Y22-T24 PolarHBondContact O-OG1 3.44Å |
| 25 | Q | 55.1 | Low | 54.5 | Low | 172 Ų | 172 | 126.2 Ų | 126.2 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | | | | 166.7 | 105.1 | 120.7 | -88.1 | 170.5 | -25.1 | 0 | 0 | 112 | | |
| 26 | V | 47.1 | Very low | 55.2 | Low | 129 Ų | 129 | 126.5 Ų | 126.5 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | | | trans | 42.5 | 90.1 | 131 | -131.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 27 | G | 49.6 | Very low | 56.1 | Low | 73 Ų | 73 | 125.6 Ų | 125.6 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | | | trans | -132.4 | 63.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | D29 | G27-D29 PolarHBondContact O-N 3.47Š|
| 28 | H | 54.6 | Low | 57 | Low | 146 Ų | 146 | 126.4 Ų | 126.4 | 68% | 0.676 | 72% | 0.723 | S | S | * | * | | | trans | -79.6 | 82.5 | 165 | -67.7 | -63 | 0 | 0 | 0 | 107.7 | Y30 | H28-Y30 HydrophobicContact CB-CD2 3.86Å; H28-Y30 HydrophobicContact CB-CE2 3.58Å; H28-Y30 PolarHBondContact O-N 2.85Å |
| 29 | D | 55.6 | Low | 58.1 | Low | 158 Ų | 158 | 125.7 Ų | 125.7 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | | | trans | -69.8 | 84.7 | 166.1 | -150.1 | 4.1 | 0 | 0 | 0 | 106.7 | G27 G31 | G27-D29 PolarHBondContact O-N 3.47Å; D29-G31 PolarHBondContact O-N 3.02Å |
| 30 | Y | 49.7 | Very low | 58.9 | Low | 199 Ų | 199 | 124.7 Ų | 124.7 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | | | trans | -68.2 | 94.3 | 170.4 | -78.5 | -82.1 | 0 | 0 | 0 | 106.9 | H28 | H28-Y30 HydrophobicContact CB-CD2 3.86Å; H28-Y30 HydrophobicContact CB-CE2 3.58Å; H28-Y30 PolarHBondContact O-N 2.85Å |
| 31 | G | 52.5 | Low | 60 | Low | 58 Ų | 58 | 127.4 Ų | 127.4 | 60% | 0.598 | 74% | 0.744 | S | S | * | * | | | trans | -43.5 | 138.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D29 | D29-G31 PolarHBondContact O-N 3.02Š|
| 32 | H | 52.8 | Low | 60.4 | Low | 131 Ų | 131 | 127.1 Ų | 127.1 | 61% | 0.606 | 75% | 0.745 | S | S | * | * | | | trans | -37.7 | 130.5 | -179 | -162.7 | -102.2 | 0 | 0 | 0 | 113.5 | S34 E35 | H32-S34 PolarHBondContact CE1-OG 3.06Å; H32-S34 VanDerWaalsContact ND1-CB 3.29Å; H32-S34 WeakPolarHBondContact ND1-CB 3.5Å; H32-S34 PolarHBondContact ND1-OG 2.92Å; H32-S34 PolarHBondContact O-N 3.16Å; H32-E35 PolarHBondContact O-N 2.73Å |
| 33 | P | 59.1 | Low | 60.8 | Low | 137 Ų | 137 | 125.9 Ų | 125.9 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 8.7 | -176.6 | 28.1 | -35.3 | 0 | 0 | 0 | 114.8 | | |
| 34 | S | 58.8 | Low | 61.4 | Low | 80 Ų | 80 | 128 Ų | 128 | 56% | 0.559 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -0.2 | -178.7 | 85.2 | 0 | 0 | 0 | 0 | 114.5 | H32 T36 | H32-S34 PolarHBondContact CE1-OG 3.06Å; H32-S34 VanDerWaalsContact ND1-CB 3.29Å; H32-S34 WeakPolarHBondContact ND1-CB 3.5Å; H32-S34 PolarHBondContact ND1-OG 2.92Å; H32-S34 PolarHBondContact O-N 3.16Å; S34-T36 PolarHBondContact O-N 2.9Å |
| 35 | E | 58.2 | Low | 62 | Low | 161 Ų | 161 | 128 Ų | 128 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | | | trans | -86.3 | 102.2 | 177.1 | -67.1 | -166 | 147.7 | 0 | 0 | 109.4 | H32 P37 | H32-E35 PolarHBondContact O-N 2.73Å; E35-P37 WeakPolarHBondContact O-CD 3.47Å |
| 36 | T | 67.1 | Low | 62.3 | Low | 132 Ų | 132 | 125.5 Ų | 125.5 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 122.6 | 170.1 | -58.7 | 0 | 0 | 0 | 0 | 108.1 | S34 | S34-T36 PolarHBondContact O-N 2.9Š|
| 37 | P | 70.7 | Confident | 62.9 | Low | 115 Ų | 115 | 128.4 Ų | 128.4 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.1 | 178.6 | 23.6 | -31.4 | 0 | 0 | 0 | 110.4 | E35 | E35-P37 WeakPolarHBondContact O-CD 3.47Š|
| 38 | A | 74 | Confident | 63.1 | Low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 147.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A40 | A38-A40 PolarHBondContact O-N 3.07Š|
| 39 | P | 76.4 | Confident | 63.7 | Low | 127 Ų | 127 | 137.7 Ų | 137.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 136.2 | 178.8 | 24.4 | -32.3 | 0 | 0 | 0 | 110.9 | | |
| 40 | A | 76.3 | Confident | 64 | Low | 90 Ų | 90 | 140.3 Ų | 140.3 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 143.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A38 | A38-A40 PolarHBondContact O-N 3.07Š|
| 41 | P | 75.3 | Confident | 64.5 | Low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63 | 146.7 | 175.4 | 26.3 | -33.3 | 0 | 0 | 0 | 111 | L43 | P41-L43 PolarHBondContact O-N 2.88Å; P41-L43 VanDerWaalsContact O-N 3.16Å |
| 42 | S | 71.4 | Confident | 64.9 | Low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 118.4 | 178.7 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | H44 | S42-H44 PolarHBondContact O-N 3.22Š|
| 43 | L | 67.3 | Low | 65.4 | Low | 163 Ų | 163 | 144.3 Ų | 144.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -66.9 | 99.6 | 172.3 | -90.6 | 147.6 | 0 | 0 | 0 | 109.5 | P41 T45 | P41-L43 PolarHBondContact O-N 2.88Å; P41-L43 VanDerWaalsContact O-N 3.16Å; L43-T45 PolarHBondContact O-N 3.05Å |
| 44 | H | 65.3 | Low | 65.5 | Low | 182 Ų | 182 | 145.3 Ų | 145.3 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -65 | 102.7 | 163 | -102.3 | -82.3 | 0 | 0 | 0 | 108.3 | S42 | S42-H44 PolarHBondContact O-N 3.22Š|
| 45 | T | 64.7 | Low | 65 | Low | 112 Ų | 112 | 151.4 Ų | 151.4 | 69% | 0.687 | 81% | 0.812 | S | S | * | * | | | trans | -74.8 | 126.3 | 165.7 | 49.2 | 0 | 0 | 0 | 0 | 108.1 | L43 Q47 | L43-T45 PolarHBondContact O-N 3.05Å; T45-Q47 PolarHBondContact O-N 2.88Å |
| 46 | P | 62.3 | Low | 64.5 | Low | 118 Ų | 118 | 146.5 Ų | 146.5 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | trans | -63.8 | 110.8 | 171.2 | 22.8 | -28.8 | 0 | 0 | 0 | 108.2 | R48 | P46-R48 VanDerWaalsContact C-N 3.33Å; P46-R48 PolarHBondContact O-N 3Å |
| 47 | Q | 59.2 | Low | 63.5 | Low | 190 Ų | 190 | 149.2 Ų | 149.2 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -65.3 | 92.4 | 173.3 | -173.7 | 177.4 | 3.7 | 0 | 0 | 108.3 | T45 Q49 | T45-Q47 PolarHBondContact O-N 2.88Å; Q47-Q49 PolarHBondContact O-N 2.93Å |
| 48 | R | 55 | Low | 62.8 | Low | 231 Ų | 231 | 149.2 Ų | 149.2 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | -63.1 | 121.4 | 169.6 | -91.3 | -170.9 | 166.5 | 155.7 | -1.4 | 108.4 | P46 K50 | P46-R48 VanDerWaalsContact C-N 3.33Å; P46-R48 PolarHBondContact O-N 3Å; R48-K50 PolarHBondContact O-N 3.15Å |
| 49 | Q | 66.4 | Low | 61.5 | Low | 184 Ų | 184 | 150 Ų | 150 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -57.5 | 127.5 | 168.4 | -67.6 | 177.7 | -22.3 | 0 | 0 | 108.4 | Q47 H51 | Q47-Q49 PolarHBondContact O-N 2.93Å; Q49-H51 PolarHBondContact O-N 3.35Å; Q49-H51 VanDerWaalsContact O-N 3.15Å |
| 50 | K | 62.2 | Low | 60.4 | Low | 212 Ų | 212 | 148.7 Ų | 148.7 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | | | trans | -69 | 109 | 172.3 | -70.8 | -176.4 | 178.4 | -176.9 | 0 | 107.6 | R48 | R48-K50 PolarHBondContact O-N 3.15Š|
| 51 | H | 59.6 | Low | 58.8 | Low | 188 Ų | 188 | 150 Ų | 150 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | trans | -80.8 | 117.1 | 168.7 | -152.1 | -120.5 | 0 | 0 | 0 | 107.5 | Q49 | Q49-H51 PolarHBondContact O-N 3.35Å; Q49-H51 VanDerWaalsContact O-N 3.15Å |
| 52 | E | 59.9 | Low | 57.8 | Low | 170 Ų | 170 | 147.5 Ų | 147.5 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | trans | -68.3 | 138.6 | 169.8 | -116.5 | -154.4 | 144.1 | 0 | 0 | 109.2 | D54 | E52-D54 PolarHBondContact O-N 3.21Š|
| 53 | P | 64.1 | Low | 56.6 | Low | 114 Ų | 114 | 151.6 Ų | 151.6 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | | | trans | -71.8 | 111.5 | 171.3 | 18.5 | -15.1 | 0 | 0 | 0 | 110 | K55 | P53-K55 PolarHBondContact O-N 2.86Š|
| 54 | D | 61.5 | Low | 55.7 | Low | 158 Ų | 158 | 146.5 Ų | 146.5 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | trans | -58 | 126 | 172.8 | -170.6 | 19 | 0 | 0 | 0 | 110.6 | E52 G56 | E52-D54 PolarHBondContact O-N 3.21Å; D54-G56 VanDerWaalsContact C-N 3.32Å; D54-G56 PolarHBondContact O-N 2.74Å; D54-G56 VanDerWaalsContact O-N 3.1Å |
| 55 | K | 47.8 | Very low | 54.9 | Low | 208 Ų | 208 | 142.9 Ų | 142.9 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | | | trans | -86 | 72.3 | -178.9 | -66.9 | -176.4 | -176.5 | 177.4 | 0 | 109.7 | P53 | P53-K55 PolarHBondContact O-N 2.86Š|
| 56 | G | 47.8 | Very low | 54 | Low | 58 Ų | 58 | 142.9 Ų | 142.9 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | | | trans | -113.4 | 105.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D54 | D54-G56 VanDerWaalsContact C-N 3.32Å; D54-G56 PolarHBondContact O-N 2.74Å; D54-G56 VanDerWaalsContact O-N 3.1Å |
| 57 | E | 45.8 | Very low | 52.8 | Low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | | | trans | -67 | 144.4 | 171.6 | -70.6 | -160.4 | 159 | 0 | 0 | 111.8 | | |
| 58 | P | 55.7 | Low | 52.6 | Low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | | | trans | -115.5 | 105.3 | 155.1 | 30.7 | -17.3 | 0 | 0 | 0 | 111.1 | | |
| 59 | S | 47.4 | Very low | 52.1 | Low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | trans | -67.2 | 122.9 | 165 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 60 | V | 53.1 | Low | 50.8 | Low | 101 Ų | 101 | 126.8 Ų | 126.8 | 61% | 0.612 | 71% | 0.708 | S | S | * | * | | | trans | -149.9 | 113.4 | 165.2 | -113.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 61 | T | 42.4 | Very low | 50 | Low | 117 Ų | 117 | 123.9 Ų | 123.9 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | | | trans | -90 | 123.2 | 175.9 | -40 | 0 | 0 | 0 | 0 | 109.7 | | |
| 62 | L | 54.6 | Low | 49.3 | Very low | 67 Ų | 67 | 122 Ų | 122 | 35% | 0.351 | 69% | 0.694 | S | S | . | * | | | trans | -115.6 | 95.5 | 174.9 | -77.8 | -158.2 | 0 | 0 | 0 | 113.5 | G64 P74 Q75 P77 | L62-G64 PolarHBondContact O-N 3.18Å; L62-P74 VanDerWaalsContact O-CA 3.24Å; L62-P74 WeakPolarHBondContact O-CA 2.74Å; L62-P74 WeakPolarHBondContact O-CB 3.22Å; L62-Q75 WeakPolarHBondContact CB-O 3.3Å; L62-Q75 VanDerWaalsContact CD1-O 3.3Å; L62-Q75 WeakPolarHBondContact CD1-O 3.24Å; L62-P77 HydrophobicContact CD1-CB 3.57Å; L62-P77 HydrophobicContact CD1-CG 3.39Å; L62-P77 VanDerWaalsContact CD1-N 3.3Å; L62-P77 HydrophobicContact CG-CB 4.46Å; L62-P77 HydrophobicContact CG-CG 3.77Å |
| 63 | K | 46.9 | Very low | 49 | Very low | 201 Ų | 201 | 116.9 Ų | 116.9 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | | | trans | -64.3 | 124 | 169.9 | -67.6 | -179.5 | 175.5 | -178.9 | 0 | 111.8 | | |
| 64 | G | 49 | Very low | 48.5 | Very low | 56 Ų | 56 | 115.4 Ų | 115.4 | 58% | 0.577 | 68% | 0.678 | S | S | * | * | | | trans | 81.2 | 112 | 134.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | L62 | L62-G64 PolarHBondContact O-N 3.18Š|
| 65 | V | 47.3 | Very low | 48 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | | | trans | -143.2 | 113.5 | 146.3 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 66 | P | 46 | Very low | 48.5 | Very low | 112 Ų | 112 | 110.6 Ų | 110.6 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | | | trans | -100.5 | 132.9 | 176.1 | 29.2 | -16.9 | 0 | 0 | 0 | 111.6 | S70 | P66-S70 WeakPolarHBondContact CA-OG 3.34Š|
| 67 | G | 36.9 | Very low | 49 | Very low | 25 Ų | 25 | 110.1 Ų | 110.1 | 26% | 0.258 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -169.6 | -153 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | H69 S70 | G67-H69 VanDerWaalsContact C-N 3.29Å; G67-H69 CarbonylContact O-C 2.97Å; G67-H69 WeakPolarHBondContact O-CA 3.32Å; G67-H69 PolarHBondContact O-N 2.79Å; G67-S70 VanDerWaalsContact CA-OG 3.27Å; G67-S70 WeakPolarHBondContact CA-OG 3.27Å; G67-S70 PolarHBondContact N-OG 3Å; G67-S70 VanDerWaalsContact O-CA 3.3Å; G67-S70 WeakPolarHBondContact O-CA 3.48Å; G67-S70 WeakPolarHBondContact O-CB 3.45Å; G67-S70 PolarHBondContact O-N 3.12Å; G67-S70 PolarHBondContact O-OG 3.18Å |
| 68 | P | 54.5 | Low | 49.7 | Very low | 137 Ų | 137 | 109 Ų | 109 | 89% | 0.89 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | | -31.5 | 103.7 | 116.4 | 24 | -36.1 | 0 | 0 | 0 | 109.8 | | |
| 69 | H | 44.3 | Very low | 49.5 | Very low | 156 Ų | 156 | 112.5 Ų | 112.5 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -113.3 | 109.7 | -3.1 | -68.5 | -155.9 | 0 | 0 | 0 | 110 | G67 | G67-H69 VanDerWaalsContact C-N 3.29Å; G67-H69 CarbonylContact O-C 2.97Å; G67-H69 WeakPolarHBondContact O-CA 3.32Å; G67-H69 PolarHBondContact O-N 2.79Å |
| 70 | S | 39.1 | Very low | 49.7 | Very low | 67 Ų | 67 | 111.7 Ų | 111.7 | 47% | 0.469 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.4 | -2.2 | -162.8 | -72 | 0 | 0 | 0 | 0 | 114.4 | P66 G67 | P66-S70 WeakPolarHBondContact CA-OG 3.34Å; G67-S70 VanDerWaalsContact CA-OG 3.27Å; G67-S70 WeakPolarHBondContact CA-OG 3.27Å; G67-S70 PolarHBondContact N-OG 3Å; G67-S70 VanDerWaalsContact O-CA 3.3Å; G67-S70 WeakPolarHBondContact O-CA 3.48Å; G67-S70 WeakPolarHBondContact O-CB 3.45Å; G67-S70 PolarHBondContact O-N 3.12Å; G67-S70 PolarHBondContact O-OG 3.18Å |
| 71 | D | 45.6 | Very low | 49.6 | Very low | 151 Ų | 151 | 112.6 Ų | 112.6 | 81% | 0.807 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 13.9 | -173.6 | -68.3 | -35.3 | 0 | 0 | 0 | 113.7 | | |
| 72 | H | 46.2 | Very low | 50.1 | Low | 148 Ų | 148 | 114.5 Ų | 114.5 | 69% | 0.685 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -124.6 | 118.7 | 174.4 | -55.6 | -37.8 | 0 | 0 | 0 | 108 | | |
| 73 | G | 53 | Low | 50 | Low | 63 Ų | 63 | 115.6 Ų | 115.6 | 65% | 0.649 | 66% | 0.661 | S | S | * | * | | | trans | -62.8 | -164.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q75 | G73-Q75 PolarHBondContact O-N 3.1Š|
| 74 | P | 53.6 | Low | 50.4 | Low | 84 Ų | 84 | 108.8 Ų | 108.8 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | | | trans | -42.2 | 107.7 | -164.7 | 17.9 | -33.1 | 0 | 0 | 0 | 113.6 | L62 L76 | L62-P74 VanDerWaalsContact O-CA 3.24Å; L62-P74 WeakPolarHBondContact O-CA 2.74Å; L62-P74 WeakPolarHBondContact O-CB 3.22Å; P74-L76 PolarHBondContact O-N 3.43Å |
| 75 | Q | 51.5 | Low | 50.8 | Low | 140 Ų | 140 | 116.5 Ų | 116.5 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | | | trans | -60.2 | 105.3 | 177.3 | -175 | 166.5 | 68.4 | 0 | 0 | 108.3 | L62 G73 | L62-Q75 WeakPolarHBondContact CB-O 3.3Å; L62-Q75 VanDerWaalsContact CD1-O 3.3Å; L62-Q75 WeakPolarHBondContact CD1-O 3.24Å; G73-Q75 PolarHBondContact O-N 3.1Å |
| 76 | L | 58.2 | Low | 51.5 | Low | 125 Ų | 125 | 119 Ų | 119 | 65% | 0.654 | 66% | 0.655 | S | S | * | * | | | trans | -61.8 | 144.5 | 179 | -67.7 | 170.5 | 0 | 0 | 0 | 110.1 | P74 L78 | P74-L76 PolarHBondContact O-N 3.43Å; L76-L78 PolarHBondContact O-N 2.68Å; L76-L78 VanDerWaalsContact O-N 3.16Å |
| 77 | P | 58.3 | Low | 51.9 | Low | 48 Ų | 48 | 123 Ų | 123 | 31% | 0.312 | 66% | 0.657 | S | S | . | * | | | trans | -65.4 | 123.9 | -179.6 | 11.4 | -4.9 | 0 | 0 | 0 | 107.5 | L62 K79 | L62-P77 HydrophobicContact CD1-CB 3.57Å; L62-P77 HydrophobicContact CD1-CG 3.39Å; L62-P77 VanDerWaalsContact CD1-N 3.3Å; L62-P77 HydrophobicContact CG-CB 4.46Å; L62-P77 HydrophobicContact CG-CG 3.77Å; P77-K79 HydrophobicContact CB-CB 4.31Å; P77-K79 HydrophobicContact CB-CD 4.39Å; P77-K79 HydrophobicContact CB-CG 4.03Å; P77-K79 PolarHBondContact O-N 3.24Å |
| 78 | L | 59.7 | Low | 53.1 | Low | 166 Ų | 166 | 126 Ų | 126 | 87% | 0.869 | 67% | 0.671 | S | S | * | * | | | trans | -65.8 | 33.5 | 169.4 | -68.3 | 169.7 | 0 | 0 | 0 | 112.4 | L76 A80 | L76-L78 PolarHBondContact O-N 2.68Å; L76-L78 VanDerWaalsContact O-N 3.16Å; L78-A80 PolarHBondContact O-N 2.89Å |
| 79 | K | 52.1 | Low | 53.3 | Low | 188 Ų | 188 | 127.9 Ų | 127.9 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | | | trans | -83.9 | 107.5 | 179.2 | -71.2 | -169.9 | 178.1 | -173.9 | 0 | 108.2 | P77 | P77-K79 HydrophobicContact CB-CB 4.31Å; P77-K79 HydrophobicContact CB-CD 4.39Å; P77-K79 HydrophobicContact CB-CG 4.03Å; P77-K79 PolarHBondContact O-N 3.24Å |
| 80 | A | 52.2 | Low | 53.8 | Low | 88 Ų | 88 | 127.9 Ų | 127.9 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | | | trans | 72.5 | 63.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L78 H82 | L78-A80 PolarHBondContact O-N 2.89Å; A80-H82 PolarHBondContact O-N 2.9Å |
| 81 | V | 51.3 | Low | 54.5 | Low | 119 Ų | 119 | 129.3 Ų | 129.3 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | | | trans | -70 | 78.6 | 139.7 | -167.3 | 0 | 0 | 0 | 0 | 106.3 | T83 | V81-T83 HydrophobicContact CG1-CG2 3.39Å; V81-T83 PolarHBondContact O-N 2.79Å |
| 82 | H | 52.3 | Low | 55.1 | Low | 157 Ų | 157 | 126.8 Ų | 126.8 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | | | trans | -70.6 | 83.4 | 163.7 | -169.2 | 92.3 | 0 | 0 | 0 | 105.8 | A80 S84 | A80-H82 PolarHBondContact O-N 2.9Å; H82-S84 PolarHBondContact O-N 2.9Å |
| 83 | T | 51.2 | Low | 55.6 | Low | 90 Ų | 90 | 125.2 Ų | 125.2 | 55% | 0.552 | 68% | 0.675 | S | S | * | * | | | trans | -73.6 | 76.9 | 166.3 | 50.7 | 0 | 0 | 0 | 0 | 107.6 | V81 W85 | V81-T83 HydrophobicContact CG1-CG2 3.39Å; V81-T83 PolarHBondContact O-N 2.79Å; T83-W85 VanDerWaalsContact CB-CD1 3.46Å; T83-W85 PolarHBondContact O-N 3.48Å |
| 84 | S | 55.8 | Low | 55.8 | Low | 58 Ų | 58 | 127.2 Ų | 127.2 | 41% | 0.406 | 68% | 0.677 | S | S | . | * | | | trans | -66 | 82 | 153.3 | 60 | 0 | 0 | 0 | 0 | 106.3 | H82 H86 | H82-S84 PolarHBondContact O-N 2.9Å; S84-H86 PolarHBondContact O-N 2.83Å |
| 85 | W | 57.9 | Low | 55.8 | Low | 218 Ų | 218 | 129.3 Ų | 129.3 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | | | trans | -65.1 | 88.5 | 159 | -78 | 92.5 | 0 | 0 | 0 | 105.2 | T83 Y87 | T83-W85 VanDerWaalsContact CB-CD1 3.46Å; T83-W85 PolarHBondContact O-N 3.48Å; W85-Y87 PolarHBondContact O-N 3.3Å |
| 86 | H | 61.3 | Low | 55.7 | Low | 158 Ų | 158 | 125.8 Ų | 125.8 | 73% | 0.731 | 69% | 0.69 | S | S | * | * | | | trans | -53.2 | 114.4 | 163.9 | -69.9 | -63.7 | 0 | 0 | 0 | 106 | S84 | S84-H86 PolarHBondContact O-N 2.83Š|
| 87 | Y | 55.1 | Low | 55.5 | Low | 198 Ų | 198 | 129 Ų | 129 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | | | trans | -45.7 | 126.2 | 167.7 | -121.7 | -94.1 | 0 | 0 | 0 | 106.7 | W85 H89 | W85-Y87 PolarHBondContact O-N 3.3Å; Y87-H89 PolarHBondContact O-N 3.16Å |
| 88 | P | 61.6 | Low | 55.1 | Low | 86 Ų | 86 | 134.2 Ų | 134.2 | 56% | 0.558 | 72% | 0.719 | S | S | * | * | | | trans | -56.1 | 113.9 | 168.7 | 22.1 | -28.2 | 0 | 0 | 0 | 105.2 | H90 | P88-H90 PolarHBondContact O-CD2 2.74Å; P88-H90 PolarHBondContact O-N 3.47Å |
| 89 | H | 58.5 | Low | 54.6 | Low | 177 Ų | 177 | 129.7 Ų | 129.7 | 82% | 0.819 | 71% | 0.706 | S | S | * | * | | | trans | -59.4 | 100.5 | 170.5 | -126.9 | -108.6 | 0 | 0 | 0 | 103.9 | Y87 S91 | Y87-H89 PolarHBondContact O-N 3.16Å; H89-S91 PolarHBondContact O-N 2.99Å |
| 90 | H | 54.6 | Low | 54.5 | Low | 157 Ų | 157 | 123.9 Ų | 123.9 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | | | trans | -70.9 | 68.3 | 176.5 | -68.9 | -79.5 | 0 | 0 | 0 | 107.8 | P88 S92 | P88-H90 PolarHBondContact O-CD2 2.74Å; P88-H90 PolarHBondContact O-N 3.47Å; H90-S92 PolarHBondContact O-N 3.4Å |
| 91 | S | 54.2 | Low | 54.5 | Low | 96 Ų | 96 | 123.4 Ų | 123.4 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | | | trans | -72.3 | 102 | 160.2 | 54.1 | 0 | 0 | 0 | 0 | 106.4 | H89 | H89-S91 PolarHBondContact O-N 2.99Š|
| 92 | S | 58.8 | Low | 54.5 | Low | 99 Ų | 99 | 120.7 Ų | 120.7 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 79.1 | 126.2 | 172.3 | -41.3 | 0 | 0 | 0 | 0 | 115.1 | H90 | H90-S92 PolarHBondContact O-N 3.4Š|
| 93 | P | 57.6 | Low | 54.6 | Low | 115 Ų | 115 | 117.2 Ų | 117.2 | 75% | 0.747 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 145.2 | 171 | 27.1 | -32.3 | 0 | 0 | 0 | 109.7 | T95 | P93-T95 PolarHBondContact O-N 3.48Å; P93-T95 VanDerWaalsContact O-N 3.12Å |
| 94 | P | 55.3 | Low | 54.7 | Low | 104 Ų | 104 | 121 Ų | 121 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 121.9 | 172.8 | 23.8 | -31.2 | 0 | 0 | 0 | 108.5 | G96 | P94-G96 PolarHBondContact O-N 3.4Š|
| 95 | T | 54.2 | Low | 54.6 | Low | 129 Ų | 129 | 124 Ų | 124 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -48 | 126.6 | 171.6 | -23.1 | 0 | 0 | 0 | 0 | 107.9 | P93 F97 | P93-T95 PolarHBondContact O-N 3.48Å; P93-T95 VanDerWaalsContact O-N 3.12Å; T95-F97 PolarHBondContact O-N 3.38Å |
| 96 | G | 50.2 | Low | 54.5 | Low | 66 Ų | 66 | 119.2 Ų | 119.2 | 68% | 0.68 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 26.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | P94 | P94-G96 PolarHBondContact O-N 3.4Š|
| 97 | F | 52.8 | Low | 54.3 | Low | 192 Ų | 192 | 118.5 Ų | 118.5 | 84% | 0.842 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -27 | 172.4 | -107.1 | -91.4 | 0 | 0 | 0 | 113.3 | T95 | T95-F97 PolarHBondContact O-N 3.38Š|
| 98 | E | 50.9 | Low | 54.3 | Low | 157 Ų | 157 | 115.6 Ų | 115.6 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -83.8 | -22.3 | -174.2 | -152 | 171.4 | -168.4 | 0 | 0 | 113.5 | A100 | E98-A100 PolarHBondContact O-N 3.48Š|
| 99 | A | 48.3 | Very low | 54.1 | Low | 72 Ų | 72 | 120.9 Ų | 120.9 | 60% | 0.595 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -74.2 | -22.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 100 | A | 50.7 | Low | 54.1 | Low | 66 Ų | 66 | 119.1 Ų | 119.1 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -74.8 | -25.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E98 | E98-A100 PolarHBondContact O-N 3.48Å |
| 101 | A | 52.1 | Low | 54.3 | Low | 77 Ų | 77 | 115.7 Ų | 115.7 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.9 | -30.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 102 | A | 52.2 | Low | 54.5 | Low | 62 Ų | 62 | 116.7 Ų | 116.7 | 51% | 0.512 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -73.9 | -29.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 103 | S | 53.4 | Low | 54.5 | Low | 84 Ų | 84 | 120.6 Ų | 120.6 | 59% | 0.587 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.3 | -27.7 | -178.6 | -70.7 | 0 | 0 | 0 | 0 | 114 | H107 | S103-H107 PolarHBondContact O-N 2.96Å |
| 104 | K | 53.8 | Low | 54.5 | Low | 171 Ų | 171 | 123.5 Ų | 123.5 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69 | -36.9 | 175.5 | -82.5 | -163.8 | 174.4 | -162.8 | 0 | 112.6 | L106 E108 | K104-L106 PolarHBondContact O-N 3.49Å; K104-E108 PolarHBondContact O-N 3.44Å |
| 105 | L | 54 | Low | 54.1 | Low | 119 Ų | 119 | 130.1 Ų | 130.1 | 62% | 0.623 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -70.4 | -32.4 | -177 | -156.5 | 90.6 | 0 | 0 | 0 | 112.9 | R109 | L105-R109 VanDerWaalsContact O-CG 3.32Å; L105-R109 WeakPolarHBondContact O-CG 3.3Å; L105-R109 PolarHBondContact O-N 3.33Å |
| 106 | L | 56.1 | Low | 54.1 | Low | 118 Ų | 118 | 130.2 Ų | 130.2 | 62% | 0.618 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -77 | -33 | 179.3 | -81.7 | 162.4 | 0 | 0 | 0 | 112.8 | K104 Q110 | K104-L106 PolarHBondContact O-N 3.49Å; L106-Q110 PolarHBondContact O-N 3.45Å |
| 107 | H | 55.7 | Low | 54.4 | Low | 144 Ų | 144 | 133.5 Ų | 133.5 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -70.3 | -37.2 | 178.9 | -153.8 | 74.3 | 0 | 0 | 0 | 112 | S103 Q110 S111 | S103-H107 PolarHBondContact O-N 2.96Å; H107-Q110 PolarHBondContact O-N 3.47Å; H107-S111 PolarHBondContact O-N 3.45Å |
| 108 | E | 55.7 | Low | 54.4 | Low | 137 Ų | 137 | 130.3 Ų | 130.3 | 64% | 0.64 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69.7 | -35.6 | 178.3 | -153.7 | 177.9 | 168.5 | 0 | 0 | 112.2 | K104 Q110 S111 V112 | K104-E108 PolarHBondContact O-N 3.44Å; E108-Q110 VanDerWaalsContact C-N 3.34Å; E108-Q110 PolarHBondContact O-N 2.58Å; E108-S111 PolarHBondContact O-N 2.75Å; E108-V112 WeakPolarHBondContact O-CG2 3.09Å |
| 109 | R | 58.2 | Low | 54.7 | Low | 197 Ų | 197 | 128.7 Ų | 128.7 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72 | -23.1 | 178.4 | -71.9 | -75.7 | -167.8 | 161.8 | 2.9 | 113.9 | L105 | L105-R109 VanDerWaalsContact O-CG 3.32Å; L105-R109 WeakPolarHBondContact O-CG 3.3Å; L105-R109 PolarHBondContact O-N 3.33Å |
| 110 | Q | 58 | Low | 55.1 | Low | 139 Ų | 139 | 132.3 Ų | 132.3 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -85.7 | -29.7 | 176.7 | -71.9 | -172.7 | -25.5 | 0 | 0 | 112.6 | L106 H107 E108 V112 K113 | L106-Q110 PolarHBondContact O-N 3.45Å; H107-Q110 PolarHBondContact O-N 3.47Å; E108-Q110 VanDerWaalsContact C-N 3.34Å; E108-Q110 PolarHBondContact O-N 2.58Å; Q110-V112 VanDerWaalsContact C-N 3.34Å; Q110-V112 PolarHBondContact O-N 2.61Å; Q110-K113 PolarHBondContact O-N 3Å |
| 111 | S | 58.3 | Low | 55.3 | Low | 85 Ų | 85 | 136.7 Ų | 136.7 | 59% | 0.594 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -71 | -25.6 | 178.9 | -170.6 | 0 | 0 | 0 | 0 | 113.8 | H107 E108 K113 | H107-S111 PolarHBondContact O-N 3.45Å; E108-S111 PolarHBondContact O-N 2.75Å; S111-K113 VanDerWaalsContact C-N 3.29Å; S111-K113 PolarHBondContact O-N 3.46Å |
| 112 | V | 59.3 | Low | 55.6 | Low | 118 Ų | 118 | 140.9 Ų | 140.9 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -8.1 | -179.1 | -179.8 | 0 | 0 | 0 | 0 | 112.8 | E108 Q110 | E108-V112 WeakPolarHBondContact O-CG2 3.09Å; Q110-V112 VanDerWaalsContact C-N 3.34Å; Q110-V112 PolarHBondContact O-N 2.61Å |
| 113 | K | 57.9 | Low | 55.8 | Low | 181 Ų | 181 | 147 Ų | 147 | 79% | 0.787 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 3 | -179.1 | -98 | -179.6 | 175.5 | -179.7 | 0 | 114.9 | Q110 S111 | Q110-K113 PolarHBondContact O-N 3Å; S111-K113 VanDerWaalsContact C-N 3.29Å; S111-K113 PolarHBondContact O-N 3.46Å |
| 114 | Q | 57.7 | Low | 56 | Low | 175 Ų | 175 | 152.3 Ų | 152.3 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | | | trans | -122.3 | 13.4 | -171.6 | -71.5 | -84.6 | -46.6 | 0 | 0 | 113.8 | | |
| 115 | H | 48 | Very low | 56.2 | Low | 243 Ų | 243 | 150.5 Ų | 150.5 | 100% | 1.125 | 73% | 0.725 | S | S | * | * | | | trans | -128.1 | 0 | 177.5 | -122.5 | -77 | 0 | 0 | 0 | 110.4 | | |