| 1 | M | 26 | Very low | 24.5 | Very low | 237 Ų | 237 | 145.4 Ų | 145.4 | 100% | 1.167 | 84% | 0.844 | S | S | * | * | | | | 0 | 107.7 | 0 | -58 | -178.8 | -163.1 | 0 | 0 | 107.3 | | |
| 2 | P | 25.6 | Very low | 24.6 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | | | trans | -77.2 | 128.7 | 170.5 | 29 | -24.4 | 0 | 0 | 0 | 108.8 | E4 | P2-E4 PolarHBondContact O-N 3.04Š|
| 3 | L | 23.7 | Very low | 24.5 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 93% | 0.927 | 83% | 0.829 | S | S | * | * | | | trans | -69.3 | 107.6 | 174.1 | -84.8 | 152.6 | 0 | 0 | 0 | 108.8 | G5 | L3-G5 PolarHBondContact O-N 3.3Š|
| 4 | E | 22.2 | Very low | 24.6 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | | | trans | -60.1 | 114 | 164.3 | -67 | 178.1 | 152.4 | 0 | 0 | 109.2 | P2 | P2-E4 PolarHBondContact O-N 3.04Š|
| 5 | G | 25.8 | Very low | 24.6 | Very low | 59 Ų | 59 | 149.1 Ų | 149.1 | 61% | 0.608 | 84% | 0.836 | S | S | * | * | | | trans | -108.3 | 101.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | L3 F7 | L3-G5 PolarHBondContact O-N 3.3Å; G5-F7 PolarHBondContact O-N 3.45Å |
| 6 | N | 24.5 | Very low | 24.6 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 78% | 0.781 | 83% | 0.83 | S | S | * | * | | | trans | -51.4 | 105.8 | -180 | -74.5 | -34.3 | 0 | 0 | 0 | 112.1 | L8 | N6-L8 PolarHBondContact O-N 3.47Š|
| 7 | F | 25.4 | Very low | 24.7 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | | | trans | -73 | 101.3 | 157.2 | -73.6 | -86.3 | 0 | 0 | 0 | 107.3 | G5 T9 | G5-F7 PolarHBondContact O-N 3.45Å; F7-T9 VanDerWaalsContact C-N 3.27Å; F7-T9 PolarHBondContact O-N 3.42Å |
| 8 | L | 24.3 | Very low | 24.7 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | | | trans | -66.4 | 91 | 169.3 | -74.7 | 167.6 | 0 | 0 | 0 | 108.6 | N6 G10 | N6-L8 PolarHBondContact O-N 3.47Å; L8-G10 PolarHBondContact O-N 3.41Å |
| 9 | T | 24.3 | Very low | 24.8 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -69.6 | 82.3 | 164.8 | 46.8 | 0 | 0 | 0 | 0 | 108.8 | F7 | F7-T9 VanDerWaalsContact C-N 3.27Å; F7-T9 PolarHBondContact O-N 3.42Å |
| 10 | G | 24 | Very low | 24.9 | Very low | 61 Ų | 61 | 151.1 Ų | 151.1 | 63% | 0.629 | 82% | 0.817 | S | S | * | * | | | trans | -108.2 | 105.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L8 G12 | L8-G10 PolarHBondContact O-N 3.41Å; G10-G12 PolarHBondContact O-N 3.27Å |
| 11 | A | 24.3 | Very low | 25 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 116.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 12 | G | 24.9 | Very low | 24.9 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.1 | -19.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118 | G10 | G10-G12 PolarHBondContact O-N 3.27Š|
| 13 | D | 24.2 | Very low | 25 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | -104 | 114.6 | -168.9 | -71.7 | -31.7 | 0 | 0 | 0 | 113.7 | Q15 | D13-Q15 PolarHBondContact O-N 3.08Š|
| 14 | R | 25.3 | Very low | 25.1 | Very low | 242 Ų | 242 | 134 Ų | 134 | 91% | 0.913 | 74% | 0.736 | S | S | * | * | | | trans | -62.8 | 89.8 | 172 | -70.3 | 174.6 | 170.5 | 165.8 | -4.1 | 110.2 | R16 | R14-R16 PolarHBondContact O-N 3.1Š|
| 15 | Q | 25 | Very low | 25.2 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | | | trans | -73.3 | 114.6 | 172 | -66.6 | -171.8 | -1.3 | 0 | 0 | 110.1 | D13 | D13-Q15 PolarHBondContact O-N 3.08Š|
| 16 | R | 25 | Very low | 25.4 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 74% | 0.74 | 73% | 0.73 | S | S | * | * | | | trans | -90.7 | 114.3 | 174 | -67.6 | -179.5 | 170.8 | -160 | -1.5 | 108.9 | R14 Y18 | R14-R16 PolarHBondContact O-N 3.1Å; R16-Y18 HydrophobicContact CB-CD2 4.45Å; R16-Y18 HydrophobicContact CB-CE2 3.86Å; R16-Y18 PolarHBondContact NH1-OH 3.03Å; R16-Y18 VanDerWaalsContact NH1-OH 3.11Å |
| 17 | A | 25.3 | Very low | 25.5 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | trans | -94.2 | 124.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 18 | Y | 25.3 | Very low | 25.5 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 70% | 0.698 | 72% | 0.724 | S | S | * | * | | | trans | -102.7 | 124.7 | 172.2 | -66.4 | -89.7 | 0 | 0 | 0 | 108.3 | R16 | R16-Y18 HydrophobicContact CB-CD2 4.45Å; R16-Y18 HydrophobicContact CB-CE2 3.86Å; R16-Y18 PolarHBondContact NH1-OH 3.03Å; R16-Y18 VanDerWaalsContact NH1-OH 3.11Å |
| 19 | V | 26.2 | Very low | 25.8 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 70% | 0.697 | 72% | 0.717 | S | S | * | * | | | trans | -101 | 112.2 | 170.1 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | I21 | V19-I21 HydrophobicContact CG1-CG1 4.31Å; V19-I21 PolarHBondContact O-N 3.19Å |
| 20 | K | 26.1 | Very low | 26 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 85% | 0.852 | 71% | 0.712 | S | S | * | * | | | trans | -78.7 | 110.9 | 171.9 | -176.5 | 178.5 | -179.3 | 179.6 | 0 | 108 | | |
| 21 | I | 26.7 | Very low | 26.1 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 44% | 0.436 | 72% | 0.72 | S | S | . | * | | | trans | -92.7 | 102.9 | 171.8 | -56 | 174.2 | 0 | 0 | 0 | 106.9 | V19 V41 | V19-I21 HydrophobicContact CG1-CG1 4.31Å; V19-I21 PolarHBondContact O-N 3.19Å; I21-V41 HydrophobicContact CD1-CG1 4.37Å |
| 22 | S | 25 | Very low | 26.3 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | | | trans | -88 | 112.1 | 165.1 | 60.6 | 0 | 0 | 0 | 0 | 108.4 | T24 | S22-T24 PolarHBondContact O-N 2.89Å; S22-T24 VanDerWaalsContact O-N 3.17Å |
| 23 | T | 27 | Very low | 26.3 | Very low | 80 Ų | 80 | 135 Ų | 135 | 49% | 0.491 | 72% | 0.717 | S | S | . | * | | | trans | -76.4 | 94.7 | 164.1 | 42.1 | 0 | 0 | 0 | 0 | 108 | N25 | T23-N25 PolarHBondContact O-N 2.77Š|
| 24 | T | 25.9 | Very low | 26.4 | Very low | 80 Ų | 80 | 136.5 Ų | 136.5 | 49% | 0.491 | 72% | 0.722 | S | S | . | * | | | trans | -77.3 | 112.8 | 157.8 | 44.1 | 0 | 0 | 0 | 0 | 106.8 | S22 D26 | S22-T24 PolarHBondContact O-N 2.89Å; S22-T24 VanDerWaalsContact O-N 3.17Å; T24-D26 VanDerWaalsContact CB-OD2 3.23Å; T24-D26 WeakPolarHBondContact CB-OD2 3.23Å; T24-D26 PolarHBondContact O-N 2.82Å; T24-D26 PolarHBondContact OG1-OD2 2.88Å |
| 25 | N | 25.8 | Very low | 26.6 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | | | trans | -67.1 | 74.6 | 159.3 | -84.5 | -21.4 | 0 | 0 | 0 | 107.2 | T23 R27 | T23-N25 PolarHBondContact O-N 2.77Å; N25-R27 PolarHBondContact O-N 3.27Å |
| 26 | D | 28.3 | Very low | 26.8 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | | | trans | -79 | 66.1 | 171.6 | -70.2 | -35.8 | 0 | 0 | 0 | 108.5 | T24 S28 | T24-D26 VanDerWaalsContact CB-OD2 3.23Å; T24-D26 WeakPolarHBondContact CB-OD2 3.23Å; T24-D26 PolarHBondContact O-N 2.82Å; T24-D26 PolarHBondContact OG1-OD2 2.88Å; D26-S28 VanDerWaalsContact C-N 3.35Å |
| 27 | R | 26.5 | Very low | 26.9 | Very low | 214 Ų | 214 | 130.5 Ų | 130.5 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | | | trans | -102.9 | 65.1 | 154.3 | -141.6 | -179.3 | -160.8 | 167.2 | 9.9 | 106.9 | N25 D29 | N25-R27 PolarHBondContact O-N 3.27Å; R27-D29 VanDerWaalsContact C-N 3.31Å; R27-D29 PolarHBondContact O-N 3.22Å; R27-D29 VanDerWaalsContact O-N 3.08Å |
| 28 | S | 27 | Very low | 27 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | | | trans | -75 | 87.9 | 167.3 | 59.6 | 0 | 0 | 0 | 0 | 108.3 | D26 | D26-S28 VanDerWaalsContact C-N 3.35Š|
| 29 | D | 28.9 | Very low | 27.1 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 69% | 0.69 | 71% | 0.707 | S | S | * | * | | | trans | -161.3 | 55 | 158 | -94.3 | -20.1 | 0 | 0 | 0 | 109.4 | R27 | R27-D29 VanDerWaalsContact C-N 3.31Å; R27-D29 PolarHBondContact O-N 3.22Å; R27-D29 VanDerWaalsContact O-N 3.08Å |
| 30 | T | 29.4 | Very low | 27.1 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -170.8 | 136.8 | 142.7 | 27.1 | 0 | 0 | 0 | 0 | 110.7 | T32 | T30-T32 PolarHBondContact O-N 3.04Š|
| 31 | P | 25.8 | Very low | 27.2 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 81% | 0.805 | 69% | 0.691 | S | S | * | * | | | trans | -87 | 106.4 | 177.9 | 33 | -27.1 | 0 | 0 | 0 | 109.3 | | |
| 32 | T | 28.1 | Very low | 27.2 | Very low | 132 Ų | 132 | 123.9 Ų | 123.9 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | | | trans | -170.9 | 125.6 | 154.1 | 34.9 | 0 | 0 | 0 | 0 | 109.1 | T30 | T30-T32 PolarHBondContact O-N 3.04Š|
| 33 | G | 25.5 | Very low | 27.5 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | | | trans | -56.8 | 135 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 34 | M | 26.8 | Very low | 27.6 | Very low | 175 Ų | 175 | 124.5 Ų | 124.5 | 86% | 0.862 | 71% | 0.708 | S | S | * | * | | | trans | -164.7 | 96.7 | 156.2 | -104 | 178.6 | -121.4 | 0 | 0 | 107.8 | N36 | M34-N36 PolarHBondContact O-N 2.78Š|
| 35 | D | 29.3 | Very low | 27.8 | Very low | 159 Ų | 159 | 126.3 Ų | 126.3 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | | | trans | 12.5 | 88.2 | 152.5 | -43.8 | -25.2 | 0 | 0 | 0 | 117.4 | K37 | D35-K37 PolarHBondContact O-N 3.47Š|
| 36 | N | 29.3 | Very low | 28.1 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | | | trans | -69.1 | 97.5 | 167.7 | -85.1 | -31.3 | 0 | 0 | 0 | 110.3 | M34 S38 | M34-N36 PolarHBondContact O-N 2.78Å; N36-S38 PolarHBondContact O-N 3.43Å |
| 37 | K | 26.7 | Very low | 28.1 | Very low | 203 Ų | 203 | 128.8 Ų | 128.8 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | | | trans | -71 | 104.6 | 162 | -73.5 | -177.2 | 179.2 | 177.2 | 0 | 109 | D35 A39 | D35-K37 PolarHBondContact O-N 3.47Å; K37-A39 PolarHBondContact O-N 3.38Å |
| 38 | S | 27.4 | Very low | 28.2 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | | | trans | -60.7 | 122.6 | 169 | 39.4 | 0 | 0 | 0 | 0 | 110.7 | N36 | N36-S38 PolarHBondContact O-N 3.43Š|
| 39 | A | 27.3 | Very low | 28.2 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 58% | 0.579 | 72% | 0.715 | S | S | * | * | | | trans | -84.5 | 113.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | K37 V41 | K37-A39 PolarHBondContact O-N 3.38Å; A39-V41 PolarHBondContact O-N 2.8Å; A39-V41 VanDerWaalsContact O-N 3.14Å |
| 40 | D | 26.2 | Very low | 28.3 | Very low | 143 Ų | 143 | 127.9 Ų | 127.9 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | | | trans | -66.7 | 106.4 | 173.8 | -77.6 | -36.5 | 0 | 0 | 0 | 110.1 | I42 | D40-I42 PolarHBondContact O-N 2.75Š|
| 41 | V | 29.3 | Very low | 28.1 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 45% | 0.448 | 72% | 0.717 | S | S | . | * | | | trans | -80.2 | 98.3 | 169 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | I21 A39 T43 | I21-V41 HydrophobicContact CD1-CG1 4.37Å; A39-V41 PolarHBondContact O-N 2.8Å; A39-V41 VanDerWaalsContact O-N 3.14Å; V41-T43 PolarHBondContact O-N 3.44Å |
| 42 | I | 25.9 | Very low | 28.3 | Very low | 150 Ų | 150 | 125.6 Ų | 125.6 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | | | trans | -82.3 | 100.7 | 173.1 | -57.5 | 174.4 | 0 | 0 | 0 | 108.3 | D40 | D40-I42 PolarHBondContact O-N 2.75Š|
| 43 | T | 31.6 | Very low | 28.3 | Very low | 93 Ų | 93 | 123.8 Ų | 123.8 | 57% | 0.571 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 126.4 | 169.7 | -35.7 | 0 | 0 | 0 | 0 | 109.5 | V41 | V41-T43 PolarHBondContact O-N 3.44Š|
| 44 | P | 29.7 | Very low | 28.4 | Very low | 86 Ų | 86 | 123 Ų | 123 | 56% | 0.558 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 149.9 | 175.4 | 26 | -32.2 | 0 | 0 | 0 | 111.2 | L46 | P44-L46 PolarHBondContact O-N 3.01Š|
| 45 | P | 29.4 | Very low | 28.7 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 77% | 0.773 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 136.5 | -176.5 | 23.7 | -32.6 | 0 | 0 | 0 | 112.2 | E47 | P45-E47 PolarHBondContact O-N 3.43Š|
| 46 | L | 31.4 | Very low | 28.6 | Very low | 123 Ų | 123 | 114 Ų | 114 | 64% | 0.644 | 62% | 0.623 | S | S | * | * | | | trans | -66.6 | 110.8 | 168.8 | -75.4 | 159.7 | 0 | 0 | 0 | 109 | P44 Y48 | P44-L46 PolarHBondContact O-N 3.01Å; L46-Y48 HydrophobicContact CB-CE2 4.12Å; L46-Y48 PolarHBondContact O-N 2.82Å |
| 47 | E | 28 | Very low | 28.7 | Very low | 180 Ų | 180 | 111.3 Ų | 111.3 | 84% | 0.841 | 61% | 0.614 | S | S | * | * | | | trans | -80.9 | 107.4 | 166.6 | -77.6 | -174.6 | 157.8 | 0 | 0 | 109 | P45 S49 | P45-E47 PolarHBondContact O-N 3.43Å; E47-S49 PolarHBondContact O-N 3.24Å |
| 48 | Y | 29.4 | Very low | 28.6 | Very low | 197 Ų | 197 | 105.2 Ų | 105.2 | 77% | 0.773 | 59% | 0.594 | S | S | * | * | | | trans | -76.6 | 116 | 166.1 | -71.7 | -89.7 | 0 | 0 | 0 | 108.6 | L46 | L46-Y48 HydrophobicContact CB-CE2 4.12Å; L46-Y48 PolarHBondContact O-N 2.82Å |
| 49 | S | 26.6 | Very low | 28.6 | Very low | 67 Ų | 67 | 104.8 Ų | 104.8 | 47% | 0.469 | 59% | 0.587 | S | S | . | * | | | trans | -98.8 | 138.4 | 165.4 | 95.7 | 0 | 0 | 0 | 0 | 108.7 | E47 Y51 G52 | E47-S49 PolarHBondContact O-N 3.24Å; S49-Y51 PolarHBondContact O-N 3.17Å; S49-Y51 PolarHBondContact OG-N 3.42Å; S49-G52 PolarHBondContact OG-O 3.41Å |
| 50 | N | 30.6 | Very low | 28.5 | Very low | 159 Ų | 159 | 107.3 Ų | 107.3 | 85% | 0.85 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 8.2 | 176.2 | -74.4 | -17.3 | 0 | 0 | 0 | 114.2 | | |
| 51 | Y | 26.9 | Very low | 28.5 | Very low | 163 Ų | 163 | 103.3 Ų | 103.3 | 64% | 0.639 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | 16.5 | -168.7 | -61.5 | -77.1 | 0 | 0 | 0 | 113.5 | S49 | S49-Y51 PolarHBondContact O-N 3.17Å; S49-Y51 PolarHBondContact OG-N 3.42Å |
| 52 | G | 28.2 | Very low | 28.3 | Very low | 39 Ų | 39 | 104.5 Ų | 104.5 | 40% | 0.402 | 60% | 0.596 | S | S | . | * | | | trans | 121 | 152.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S49 C54 | S49-G52 PolarHBondContact OG-O 3.41Å; G52-C54 PolarHBondContact O-N 3.1Å |
| 53 | V | 28.9 | Very low | 28.3 | Very low | 95 Ų | 95 | 104.5 Ų | 104.5 | 58% | 0.576 | 60% | 0.598 | S | S | * | * | | | trans | -85.7 | 98.9 | -178.8 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | Q55 | V53-Q55 HydrophobicContact CG1-CB 4.45Å; V53-Q55 HydrophobicContact CG1-CG 3.92Å; V53-Q55 PolarHBondContact O-N 3.01Å |
| 54 | C | 27.3 | Very low | 27.9 | Very low | 58 Ų | 58 | 103.3 Ų | 103.3 | 39% | 0.392 | 59% | 0.593 | S | S | . | * | | | trans | -81.8 | 88.7 | 161.5 | -60.3 | 0 | 0 | 0 | 0 | 107.6 | G52 T56 C96 | G52-C54 PolarHBondContact O-N 3.1Å; C54-T56 PolarHBondContact O-N 3.2Å; C54-C96 HydrophobicContact CB-CB 4.38Å; C54-C96 WeakPolarHBondContact CB-SG 3.36Å; C54-C96 WeakPolarHBondContact SG-CB 3.38Å; C54-C96 CovalentContact SG-SG 2.08Å; C54-C96 PolarHBondContact SG-SG 3.48Å |
| 55 | Q | 32.7 | Very low | 27.7 | Very low | 94 Ų | 94 | 104.3 Ų | 104.3 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | | | trans | -67.3 | 121.1 | 167.9 | -100.4 | -179.9 | -5 | 0 | 0 | 109.1 | V53 | V53-Q55 HydrophobicContact CG1-CB 4.45Å; V53-Q55 HydrophobicContact CG1-CG 3.92Å; V53-Q55 PolarHBondContact O-N 3.01Å |
| 56 | T | 28.9 | Very low | 27.5 | Very low | 52 Ų | 52 | 103.5 Ų | 103.5 | 32% | 0.319 | 59% | 0.59 | S | S | . | * | | | trans | -124.1 | 82.6 | 165.2 | 36.5 | 0 | 0 | 0 | 0 | 107.6 | C54 V58 K100 K103 | C54-T56 PolarHBondContact O-N 3.2Å; T56-V58 PolarHBondContact O-N 3.24Å; T56-K100 HydrophobicContact CG2-CG 4.28Å; T56-K103 PolarHBondContact OG1-NZ 3.01Å |
| 57 | S | 30 | Very low | 27.2 | Very low | 76 Ų | 76 | 101.6 Ų | 101.6 | 53% | 0.531 | 59% | 0.585 | S | S | . | * | | | trans | -74.9 | 112.3 | 172.3 | -41.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 58 | V | 25.7 | Very low | 27.1 | Very low | 74 Ų | 74 | 98.8 Ų | 98.8 | 45% | 0.448 | 57% | 0.574 | S | S | . | * | | | trans | -93.1 | 104.1 | 166 | -177.5 | 0 | 0 | 0 | 0 | 105.9 | T56 T60 | T56-V58 PolarHBondContact O-N 3.24Å; V58-T60 HydrophobicContact CG1-CG2 4.07Å; V58-T60 PolarHBondContact O-N 3.1Å |
| 59 | V | 27.3 | Very low | 27 | Very low | 88 Ų | 88 | 96 Ų | 96 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | | | trans | -82 | 109.1 | 167.1 | -179.3 | 0 | 0 | 0 | 0 | 106.3 | S61 | V59-S61 PolarHBondContact O-N 2.75Š|
| 60 | T | 23.9 | Very low | 27 | Very low | 123 Ų | 123 | 97.1 Ų | 97.1 | 76% | 0.755 | 57% | 0.572 | S | S | * | * | | | trans | -89.2 | 79.7 | 165.6 | 50.2 | 0 | 0 | 0 | 0 | 108.2 | V58 | V58-T60 HydrophobicContact CG1-CG2 4.07Å; V58-T60 PolarHBondContact O-N 3.1Å |
| 61 | S | 26.5 | Very low | 26.8 | Very low | 59 Ų | 59 | 96.9 Ų | 96.9 | 41% | 0.413 | 57% | 0.571 | S | S | . | * | | | trans | -92.9 | 150.3 | 148.6 | 61.9 | 0 | 0 | 0 | 0 | 106.9 | V59 D63 | V59-S61 PolarHBondContact O-N 2.75Å; S61-D63 PolarHBondContact O-N 3.18Å |
| 62 | A | 26.3 | Very low | 26.8 | Very low | 99 Ų | 99 | 92.3 Ų | 92.3 | 82% | 0.818 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -5.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 63 | D | 24.5 | Very low | 26.8 | Very low | 151 Ų | 151 | 95.7 Ų | 95.7 | 81% | 0.807 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.6 | 9.3 | -168.3 | -72.4 | -53.3 | 0 | 0 | 0 | 116.6 | S61 | S61-D63 PolarHBondContact O-N 3.18Š|
| 64 | S | 24.2 | Very low | 26.8 | Very low | 68 Ų | 68 | 99.5 Ų | 99.5 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | | | trans | -165.6 | 114.1 | 178 | 9.7 | 0 | 0 | 0 | 0 | 115 | | |
| 65 | V | 25.3 | Very low | 26.9 | Very low | 106 Ų | 106 | 102.7 Ų | 102.7 | 64% | 0.642 | 61% | 0.611 | S | S | * | * | | | trans | -97.8 | 105 | 167.5 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 66 | V | 24.4 | Very low | 26.7 | Very low | 103 Ų | 103 | 105.2 Ų | 105.2 | 62% | 0.624 | 63% | 0.627 | S | S | * | * | | | trans | -112.9 | 113.2 | 172.9 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 67 | P | 25.5 | Very low | 26.6 | Very low | 82 Ų | 82 | 105.9 Ų | 105.9 | 53% | 0.532 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -73.5 | 125.5 | 171.5 | 28.1 | -29.5 | 0 | 0 | 0 | 110 | | |
| 68 | I | 26.9 | Very low | 26.5 | Very low | 121 Ų | 121 | 108.2 Ų | 108.2 | 62% | 0.621 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 128.2 | 172.6 | -59.4 | 173.2 | 0 | 0 | 0 | 108.3 | V70 | I68-V70 HydrophobicContact CG2-CG2 4.15Š|
| 69 | E | 26.7 | Very low | 26.6 | Very low | 138 Ų | 138 | 114.5 Ų | 114.5 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 130.5 | 166.9 | -84.2 | 179.6 | 166.8 | 0 | 0 | 109.9 | K100 | E69-K100 IonicContact OE1-NZ 3.74Å; E69-K100 PolarHBondContact OE1-NZ 3.01Å |
| 70 | V | 26.7 | Very low | 26.6 | Very low | 92 Ų | 92 | 112.9 Ų | 112.9 | 56% | 0.558 | 68% | 0.682 | S | S | * | * | | | trans | -124.8 | 108.7 | 168.1 | -172.9 | 0 | 0 | 0 | 0 | 106 | I68 A72 | I68-V70 HydrophobicContact CG2-CG2 4.15Å; V70-A72 PolarHBondContact O-N 2.94Å |
| 71 | D | 25.3 | Very low | 26.9 | Very low | 153 Ų | 153 | 114.6 Ų | 114.6 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 128 | 167.6 | -79.6 | -35.6 | 0 | 0 | 0 | 108.6 | | |
| 72 | A | 28.5 | Very low | 27.1 | Very low | 67 Ų | 67 | 116.6 Ų | 116.6 | 55% | 0.554 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 138.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109 | V70 E74 | V70-A72 PolarHBondContact O-N 2.94Å; A72-E74 PolarHBondContact O-N 3.48Å |
| 73 | P | 27.4 | Very low | 27.6 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 130.7 | 173.9 | 24.8 | -31.7 | 0 | 0 | 0 | 109.4 | V75 | P73-V75 PolarHBondContact O-N 3.21Å; P73-V75 VanDerWaalsContact O-N 3.08Å |
| 74 | E | 28.4 | Very low | 28.2 | Very low | 174 Ų | 174 | 117 Ų | 117 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | | | trans | -54.7 | 115.2 | 162.1 | -86.8 | 178.6 | 149.4 | 0 | 0 | 107.5 | A72 D76 | A72-E74 PolarHBondContact O-N 3.48Å; E74-D76 PolarHBondContact O-N 3.05Å; E74-D76 VanDerWaalsContact O-N 3.08Å |
| 75 | V | 30.4 | Very low | 28.8 | Very low | 125 Ų | 125 | 120.5 Ų | 120.5 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | | | trans | -84.1 | 76.7 | 174.9 | -153.1 | 0 | 0 | 0 | 0 | 106.6 | P73 G77 | P73-V75 PolarHBondContact O-N 3.21Å; P73-V75 VanDerWaalsContact O-N 3.08Å; V75-G77 PolarHBondContact O-N 2.74Å |
| 76 | D | 28.5 | Very low | 29.2 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | | | trans | -75.4 | 114.4 | 166.3 | -82.2 | -25.8 | 0 | 0 | 0 | 108.3 | E74 | E74-D76 PolarHBondContact O-N 3.05Å; E74-D76 VanDerWaalsContact O-N 3.08Å |
| 77 | G | 25.4 | Very low | 29.9 | Very low | 67 Ų | 67 | 127.4 Ų | 127.4 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | | | trans | 106.6 | 75.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V75 | V75-G77 PolarHBondContact O-N 2.74Š|
| 78 | V | 29 | Very low | 30.5 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | | | trans | -124.7 | 85.1 | 141.4 | -174.4 | 0 | 0 | 0 | 0 | 106.7 | G80 | V78-G80 VanDerWaalsContact C-N 3.34Å; V78-G80 PolarHBondContact O-N 3.45Å |
| 79 | E | 28.4 | Very low | 31.2 | Very low | 206 Ų | 206 | 135 Ų | 135 | 96% | 0.963 | 74% | 0.742 | S | S | * | * | | | trans | -64.1 | 99.3 | 159.1 | -82.2 | -172.8 | 147.3 | 0 | 0 | 107.1 | | |
| 80 | G | 27.2 | Very low | 32.1 | Very low | 55 Ų | 55 | 132.6 Ų | 132.6 | 57% | 0.567 | 74% | 0.738 | S | S | * | * | | | trans | 176.2 | 87.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V78 | V78-G80 VanDerWaalsContact C-N 3.34Å; V78-G80 PolarHBondContact O-N 3.45Å |
| 81 | N | 28.7 | Very low | 33.1 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | | | trans | 68.2 | 116.8 | 160.4 | -77 | -18.3 | 0 | 0 | 0 | 119.5 | | |
| 82 | S | 32.1 | Very low | 34.2 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 93.9 | 114.7 | 133.7 | 73.9 | 0 | 0 | 0 | 0 | 118 | A84 | S82-A84 PolarHBondContact O-N 3.39Š|
| 83 | D | 36.1 | Very low | 35.1 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 94% | 0.941 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | 25.3 | 173 | -75.8 | -60.3 | 0 | 0 | 0 | 116.9 | | |
| 84 | A | 37.8 | Very low | 36 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 69% | 0.686 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -0.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S82 | S82-A84 PolarHBondContact O-N 3.39Š|
| 85 | N | 35.6 | Very low | 37 | Very low | 142 Ų | 142 | 123 Ų | 123 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | | | trans | -134.2 | 29.2 | -171.5 | -119.1 | -10 | 0 | 0 | 0 | 117 | K87 | N85-K87 PolarHBondContact O-N 3.43Š|
| 86 | K | 33.4 | Very low | 37.5 | Very low | 205 Ų | 205 | 119.8 Ų | 119.8 | 89% | 0.891 | 68% | 0.683 | S | S | * | * | | | trans | -80.8 | 64.3 | 162.8 | -72 | -178 | -179.5 | 171.9 | 0 | 110.6 | K88 | K86-K88 PolarHBondContact O-N 3.28Š|
| 87 | K | 39.6 | Very low | 38.4 | Very low | 148 Ų | 148 | 119 Ų | 119 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | | | trans | -70.1 | 99.7 | 164 | -83.9 | -175.5 | 179.3 | 174.6 | 0 | 107.9 | N85 R89 | N85-K87 PolarHBondContact O-N 3.43Å; K87-R89 PolarHBondContact O-N 3.43Å |
| 88 | K | 39.3 | Very low | 39.6 | Very low | 198 Ų | 198 | 121.3 Ų | 121.3 | 86% | 0.861 | 67% | 0.667 | S | S | * | * | | | trans | -45.9 | 125.5 | 167.2 | -83.5 | -178.4 | 174.3 | -179.7 | 0 | 108.6 | K86 | K86-K88 PolarHBondContact O-N 3.28Š|
| 89 | R | 41.6 | Very low | 40.6 | Very low | 166 Ų | 166 | 118.9 Ų | 118.9 | 63% | 0.626 | 65% | 0.649 | S | S | * | * | | | trans | -51.2 | 126.9 | 170.8 | -165.7 | 178.1 | 177.8 | -169.9 | -0.5 | 107.8 | K87 A91 A93 | K87-R89 PolarHBondContact O-N 3.43Å; R89-A91 PolarHBondContact O-N 3.14Å; R89-A93 HydrophobicContact CG-CB 4.06Å |
| 90 | P | 44 | Very low | 41.4 | Very low | 87 Ų | 87 | 111.6 Ų | 111.6 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | | | trans | -58.7 | 134 | 173.3 | 17.1 | -21.6 | 0 | 0 | 0 | 107.9 | D92 A93 | P90-D92 PolarHBondContact O-N 2.9Å; P90-A93 HydrophobicContact CG-CB 4.2Å; P90-A93 WeakPolarHBondContact O-CB 3.38Å; P90-A93 PolarHBondContact O-N 3.23Å |
| 91 | A | 49.4 | Very low | 42.5 | Very low | 108 Ų | 108 | 113.4 Ų | 113.4 | 89% | 0.893 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -16.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R89 | R89-A91 PolarHBondContact O-N 3.14Š|
| 92 | D | 48 | Very low | 43.6 | Very low | 154 Ų | 154 | 113.8 Ų | 113.8 | 82% | 0.824 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 7.2 | 179.1 | -62.7 | -44.9 | 0 | 0 | 0 | 114.9 | P90 P94 | P90-D92 PolarHBondContact O-N 2.9Å; D92-P94 WeakPolarHBondContact O-CD 3.33Å |
| 93 | A | 46.9 | Very low | 44.3 | Very low | 35 Ų | 35 | 114.1 Ų | 114.1 | 29% | 0.289 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -72 | 118.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R89 P90 S95 | R89-A93 HydrophobicContact CG-CB 4.06Å; P90-A93 HydrophobicContact CG-CB 4.2Å; P90-A93 WeakPolarHBondContact O-CB 3.38Å; P90-A93 PolarHBondContact O-N 3.23Å; A93-S95 PolarHBondContact O-N 3.11Å |
| 94 | P | 45.4 | Very low | 44.6 | Very low | 59 Ų | 59 | 110.9 Ų | 110.9 | 38% | 0.383 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 138.2 | 180 | 23.2 | -31.9 | 0 | 0 | 0 | 110.4 | D92 Q98 L99 | D92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-Q98 VanDerWaalsContact CA-OE1 3.3Å; P94-Q98 HydrophobicContact CB-CB 3.97Å; P94-L99 HydrophobicContact CB-CG 4.26Å; P94-L99 HydrophobicContact CG-CD1 4.3Å; P94-L99 HydrophobicContact CG-CD2 4.35Å; P94-L99 HydrophobicContact CG-CG 4.15Å |
| 95 | S | 49.1 | Very low | 44.8 | Very low | 40 Ų | 40 | 115.8 Ų | 115.8 | 28% | 0.28 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 154.6 | 172.1 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | A93 E97 Q98 L99 | A93-S95 PolarHBondContact O-N 3.11Å; S95-E97 PolarHBondContact O-N 3.32Å; S95-E97 VanDerWaalsContact O-N 3.12Å; S95-Q98 PolarHBondContact O-N 2.87Å; S95-Q98 WeakPolarHBondContact OG-CG 3.5Å; S95-Q98 PolarHBondContact OG-N 3.03Å; S95-Q98 VanDerWaalsContact OG-N 3.16Å; S95-L99 PolarHBondContact O-N 3.01Å |
| 96 | C | 41.7 | Very low | 45.3 | Very low | 57 Ų | 57 | 116 Ų | 116 | 39% | 0.385 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -55.8 | -30.2 | 173.2 | -71.8 | 0 | 0 | 0 | 0 | 110 | C54 L99 K100 | C54-C96 HydrophobicContact CB-CB 4.38Å; C54-C96 WeakPolarHBondContact CB-SG 3.36Å; C54-C96 WeakPolarHBondContact SG-CB 3.38Å; C54-C96 CovalentContact SG-SG 2.08Å; C54-C96 PolarHBondContact SG-SG 3.48Å; C96-L99 PolarHBondContact O-N 3.18Å; C96-K100 VanDerWaalsContact O-CG 3.29Å; C96-K100 WeakPolarHBondContact O-CG 3.33Å; C96-K100 PolarHBondContact O-N 3.25Å |
| 97 | E | 48.5 | Very low | 45.6 | Very low | 130 Ų | 130 | 109 Ų | 109 | 61% | 0.607 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.4 | -45.7 | 171 | -75.3 | -147.2 | 140.3 | 0 | 0 | 113.5 | S95 L99 K100 L101 | S95-E97 PolarHBondContact O-N 3.32Å; S95-E97 VanDerWaalsContact O-N 3.12Å; E97-L99 VanDerWaalsContact C-N 3.29Å; E97-L99 PolarHBondContact O-N 3.28Å; E97-K100 PolarHBondContact O-N 3.23Å; E97-L101 PolarHBondContact O-N 3.48Å |
| 98 | Q | 50.4 | Low | 45.7 | Very low | 116 Ų | 116 | 108.3 Ų | 108.3 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.8 | -33.6 | 177.3 | -74.3 | 178.7 | 1.2 | 0 | 0 | 112.3 | P94 S95 K102 | P94-Q98 VanDerWaalsContact CA-OE1 3.3Å; P94-Q98 HydrophobicContact CB-CB 3.97Å; S95-Q98 PolarHBondContact O-N 2.87Å; S95-Q98 WeakPolarHBondContact OG-CG 3.5Å; S95-Q98 PolarHBondContact OG-N 3.03Å; S95-Q98 VanDerWaalsContact OG-N 3.16Å; Q98-K102 PolarHBondContact O-N 3.11Å; Q98-K102 VanDerWaalsContact O-N 3.13Å |
| 99 | L | 49.1 | Very low | 46 | Very low | 73 Ų | 73 | 106.5 Ų | 106.5 | 38% | 0.382 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.8 | -39.1 | 173.9 | -76.9 | 159.4 | 0 | 0 | 0 | 112.1 | P94 S95 C96 E97 K103 | P94-L99 HydrophobicContact CB-CG 4.26Å; P94-L99 HydrophobicContact CG-CD1 4.3Å; P94-L99 HydrophobicContact CG-CD2 4.35Å; P94-L99 HydrophobicContact CG-CG 4.15Å; S95-L99 PolarHBondContact O-N 3.01Å; C96-L99 PolarHBondContact O-N 3.18Å; E97-L99 VanDerWaalsContact C-N 3.29Å; E97-L99 PolarHBondContact O-N 3.28Å; L99-K103 PolarHBondContact O-N 3.33Å; L99-K103 VanDerWaalsContact O-N 3.1Å |
| 100 | K | 46.4 | Very low | 46.1 | Very low | 52 Ų | 52 | 104.3 Ų | 104.3 | 23% | 0.226 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 173.9 | -75.6 | 174.8 | -175.5 | -179.3 | 0 | 111.7 | T56 E69 C96 E97 K102 K103 Q104 | T56-K100 HydrophobicContact CG2-CG 4.28Å; E69-K100 IonicContact OE1-NZ 3.74Å; E69-K100 PolarHBondContact OE1-NZ 3.01Å; C96-K100 VanDerWaalsContact O-CG 3.29Å; C96-K100 WeakPolarHBondContact O-CG 3.33Å; C96-K100 PolarHBondContact O-N 3.25Å; E97-K100 PolarHBondContact O-N 3.23Å; K100-K102 PolarHBondContact O-N 3.06Å; K100-K103 PolarHBondContact O-N 2.76Å; K100-Q104 PolarHBondContact O-N 3.11Å |
| 101 | L | 49.8 | Very low | 45.7 | Very low | 93 Ų | 93 | 105.5 Ų | 105.5 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 178 | -89.6 | 148.8 | 0 | 0 | 0 | 112.8 | E97 R105 | E97-L101 PolarHBondContact O-N 3.48Å; L101-R105 WeakPolarHBondContact O-CB 3.05Å; L101-R105 WeakPolarHBondContact O-CG 3.43Å; L101-R105 PolarHBondContact O-N 3.25Å |
| 102 | K | 51 | Low | 45.2 | Very low | 166 Ų | 166 | 104.4 Ų | 104.4 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 174.1 | -93.1 | -174.8 | -179.2 | 177.2 | 0 | 112.6 | Q98 K100 K106 | Q98-K102 PolarHBondContact O-N 3.11Å; Q98-K102 VanDerWaalsContact O-N 3.13Å; K100-K102 PolarHBondContact O-N 3.06Å; K102-K106 PolarHBondContact O-N 3.27Å |
| 103 | K | 47.9 | Very low | 45 | Very low | 108 Ų | 108 | 104.2 Ų | 104.2 | 47% | 0.47 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.5 | -42.8 | 178.8 | -79.7 | -174.4 | 179.6 | -177.3 | 0 | 112.3 | T56 L99 K100 R105 K106 V107 | T56-K103 PolarHBondContact OG1-NZ 3.01Å; L99-K103 PolarHBondContact O-N 3.33Å; L99-K103 VanDerWaalsContact O-N 3.1Å; K100-K103 PolarHBondContact O-N 2.76Å; K103-R105 VanDerWaalsContact C-N 3.35Å; K103-R105 PolarHBondContact O-N 3.18Å; K103-K106 WeakPolarHBondContact O-CB 3.5Å; K103-K106 PolarHBondContact O-N 2.8Å; K103-V107 WeakPolarHBondContact O-CG2 3.33Å; K103-V107 PolarHBondContact O-N 3.11Å |
| 104 | Q | 40.9 | Very low | 44.5 | Very low | 108 Ų | 108 | 105 Ų | 105 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 175.6 | -75.8 | -175.8 | -7 | 0 | 0 | 112.1 | K100 K106 V107 H108 | K100-Q104 PolarHBondContact O-N 3.11Å; Q104-K106 PolarHBondContact O-N 3.43Å; Q104-V107 PolarHBondContact O-N 3.36Å; Q104-H108 WeakPolarHBondContact O-CB 3.37Å; Q104-H108 PolarHBondContact O-N 2.99Å |
| 105 | R | 43.8 | Very low | 44.1 | Very low | 187 Ų | 187 | 106.1 Ų | 106.1 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -27.1 | 174.5 | -76.5 | 179.8 | 170.1 | -168.7 | -2 | 113.6 | L101 K103 K109 | L101-R105 WeakPolarHBondContact O-CB 3.05Å; L101-R105 WeakPolarHBondContact O-CG 3.43Å; L101-R105 PolarHBondContact O-N 3.25Å; K103-R105 VanDerWaalsContact C-N 3.35Å; K103-R105 PolarHBondContact O-N 3.18Å; R105-K109 PolarHBondContact O-N 2.98Å |
| 106 | K | 45.9 | Very low | 43.6 | Very low | 145 Ų | 145 | 112 Ų | 112 | 63% | 0.63 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -81 | -38.5 | 178.2 | -159.3 | 174.6 | -177.9 | -178 | 0 | 111.8 | K102 K103 Q104 Q110 | K102-K106 PolarHBondContact O-N 3.27Å; K103-K106 WeakPolarHBondContact O-CB 3.5Å; K103-K106 PolarHBondContact O-N 2.8Å; Q104-K106 PolarHBondContact O-N 3.43Å; K106-Q110 PolarHBondContact O-N 2.9Å |
| 107 | V | 38.8 | Very low | 43.3 | Very low | 58 Ų | 58 | 111.4 Ų | 111.4 | 35% | 0.352 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 175.6 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | K103 Q104 K109 Q110 H111 | K103-V107 WeakPolarHBondContact O-CG2 3.33Å; K103-V107 PolarHBondContact O-N 3.11Å; Q104-V107 PolarHBondContact O-N 3.36Å; V107-K109 PolarHBondContact O-N 3.11Å; V107-Q110 PolarHBondContact O-N 2.81Å; V107-H111 PolarHBondContact O-N 2.87Å |
| 108 | H | 41.2 | Very low | 42.5 | Very low | 134 Ų | 134 | 110.9 Ų | 110.9 | 62% | 0.62 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 178.1 | -143.2 | 69 | 0 | 0 | 0 | 112.3 | Q104 Q110 H111 D112 | Q104-H108 WeakPolarHBondContact O-CB 3.37Å; Q104-H108 PolarHBondContact O-N 2.99Å; H108-Q110 VanDerWaalsContact C-N 3.34Å; H108-Q110 PolarHBondContact O-N 2.97Å; H108-H111 PolarHBondContact O-N 3.28Å; H108-D112 PolarHBondContact O-N 2.69Å |
| 109 | K | 46.1 | Very low | 41.7 | Very low | 160 Ų | 160 | 110.6 Ų | 110.6 | 70% | 0.696 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.4 | -31.9 | 174.2 | -83.7 | -173.9 | 174.8 | -174.2 | 0 | 113.9 | R105 V107 Q113 | R105-K109 PolarHBondContact O-N 2.98Å; V107-K109 PolarHBondContact O-N 3.11Å; K109-Q113 PolarHBondContact O-N 3.23Å |
| 110 | Q | 44.4 | Very low | 40.8 | Very low | 121 Ų | 121 | 118 Ų | 118 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -76.7 | -36.6 | 175.9 | -75.7 | -178.7 | -22.8 | 0 | 0 | 111.8 | K106 V107 H108 Q113 A114 | K106-Q110 PolarHBondContact O-N 2.9Å; V107-Q110 PolarHBondContact O-N 2.81Å; H108-Q110 VanDerWaalsContact C-N 3.34Å; H108-Q110 PolarHBondContact O-N 2.97Å; Q110-Q113 PolarHBondContact O-N 3.37Å; Q110-A114 PolarHBondContact O-N 2.9Å |
| 111 | H | 34.8 | Very low | 40 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.6 | -39.2 | 176.5 | -143.2 | -89.2 | 0 | 0 | 0 | 112.2 | V107 H108 Q113 A114 N115 | V107-H111 PolarHBondContact O-N 2.87Å; H108-H111 PolarHBondContact O-N 3.28Å; H111-Q113 VanDerWaalsContact C-N 3.33Å; H111-Q113 PolarHBondContact O-N 3.09Å; H111-A114 PolarHBondContact O-N 3.5Å; H111-N115 PolarHBondContact ND1-ND2 3.21Å; H111-N115 WeakPolarHBondContact O-CB 3.44Å; H111-N115 PolarHBondContact O-N 3.44Å |
| 112 | D | 39 | Very low | 38.9 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 45% | 0.449 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.3 | -30.3 | 174.5 | -84.4 | -21.2 | 0 | 0 | 0 | 113.4 | H108 K116 | H108-D112 PolarHBondContact O-N 2.69Å; D112-K116 WeakPolarHBondContact O-CB 3.19Å; D112-K116 VanDerWaalsContact O-CG 3.31Å; D112-K116 WeakPolarHBondContact O-CG 3.11Å; D112-K116 PolarHBondContact O-N 3.44Å |
| 113 | Q | 44.1 | Very low | 37.8 | Very low | 151 Ų | 151 | 127 Ų | 127 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.1 | -37.2 | 173.2 | -84.8 | -178.9 | -26.7 | 0 | 0 | 112.1 | K109 Q110 H111 G117 | K109-Q113 PolarHBondContact O-N 3.23Å; Q110-Q113 PolarHBondContact O-N 3.37Å; H111-Q113 VanDerWaalsContact C-N 3.33Å; H111-Q113 PolarHBondContact O-N 3.09Å; Q113-G117 PolarHBondContact O-N 3.17Å |
| 114 | A | 35.4 | Very low | 36.7 | Very low | 52 Ų | 52 | 126.5 Ų | 126.5 | 43% | 0.43 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.5 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q110 H111 K116 G117 L118 | Q110-A114 PolarHBondContact O-N 2.9Å; H111-A114 PolarHBondContact O-N 3.5Å; A114-K116 PolarHBondContact O-N 3.45Å; A114-G117 PolarHBondContact O-N 2.89Å; A114-G117 VanDerWaalsContact O-N 3.13Å; A114-L118 PolarHBondContact O-N 3.04Å |
| 115 | N | 37.5 | Very low | 36 | Very low | 82 Ų | 82 | 130 Ų | 130 | 44% | 0.439 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -71.3 | -26.2 | 179.9 | -81.6 | -12.8 | 0 | 0 | 0 | 113.9 | H111 G117 S119 | H111-N115 PolarHBondContact ND1-ND2 3.21Å; H111-N115 WeakPolarHBondContact O-CB 3.44Å; H111-N115 PolarHBondContact O-N 3.44Å; N115-G117 VanDerWaalsContact C-N 3.29Å; N115-S119 PolarHBondContact O-N 3.13Å |
| 116 | K | 38.7 | Very low | 35.2 | Very low | 162 Ų | 162 | 127 Ų | 127 | 70% | 0.704 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.2 | -21.7 | 170.8 | -77.8 | 178.1 | -178.4 | 177.4 | 0 | 113.3 | D112 A114 | D112-K116 WeakPolarHBondContact O-CB 3.19Å; D112-K116 VanDerWaalsContact O-CG 3.31Å; D112-K116 WeakPolarHBondContact O-CG 3.11Å; D112-K116 PolarHBondContact O-N 3.44Å; A114-K116 PolarHBondContact O-N 3.45Å |
| 117 | G | 36.2 | Very low | 34.2 | Very low | 46 Ų | 46 | 131.3 Ų | 131.3 | 47% | 0.474 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -80.5 | -39.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q113 A114 N115 | Q113-G117 PolarHBondContact O-N 3.17Å; A114-G117 PolarHBondContact O-N 2.89Å; A114-G117 VanDerWaalsContact O-N 3.13Å; N115-G117 VanDerWaalsContact C-N 3.29Å |
| 118 | L | 31.9 | Very low | 33.5 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 62% | 0.618 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -75.5 | -29.2 | -177.5 | -88.1 | 134.2 | 0 | 0 | 0 | 114.4 | A114 R120 Q121 | A114-L118 PolarHBondContact O-N 3.04Å; L118-R120 PolarHBondContact O-N 2.88Å; L118-R120 VanDerWaalsContact O-N 3.17Å; L118-Q121 PolarHBondContact O-N 2.96Å |
| 119 | S | 32.7 | Very low | 32.7 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -5.6 | 176.5 | -91 | 0 | 0 | 0 | 0 | 115.1 | N115 | N115-S119 PolarHBondContact O-N 3.13Š|
| 120 | R | 30.2 | Very low | 31.6 | Very low | 228 Ų | 228 | 134.5 Ų | 134.5 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -0.9 | 178.9 | -75.9 | -174.1 | 174.6 | -166.8 | -1.5 | 114.5 | L118 | L118-R120 PolarHBondContact O-N 2.88Å; L118-R120 VanDerWaalsContact O-N 3.17Å |
| 121 | Q | 29.4 | Very low | 30.7 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -118.5 | 4.3 | -171.3 | -121.8 | 175 | -13.6 | 0 | 0 | 115.8 | L118 | L118-Q121 PolarHBondContact O-N 2.96Š|
| 122 | V | 27.2 | Very low | 30.1 | Very low | 134 Ų | 134 | 140 Ų | 140 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | | | trans | -112.9 | 67.2 | 174 | -167 | 0 | 0 | 0 | 0 | 109.4 | | |
| 123 | K | 27.2 | Very low | 29.6 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | | | trans | -145.3 | 62.3 | 173.8 | -88.2 | -167.4 | 177.6 | -178.5 | 0 | 110.3 | | |
| 124 | S | 25.7 | Very low | 28.7 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -177.7 | 142.5 | 160.6 | 46.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 125 | E | 25.8 | Very low | 28.5 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | | | trans | 83.6 | 75.4 | 165.5 | -56 | 171.1 | -176.5 | 0 | 0 | 117.1 | | |
| 126 | S | 26.7 | Very low | 28 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | | -155.5 | 118.4 | 119 | 51 | 0 | 0 | 0 | 0 | 110.6 | | |
| 127 | Y | 25.3 | Very low | 27.3 | Very low | 237 Ų | 237 | 145.8 Ų | 145.8 | 93% | 0.929 | 79% | 0.785 | S | S | * | * | | | trans | -66.5 | 141.9 | 176.6 | -98.4 | -111.8 | 0 | 0 | 0 | 111.2 | | |
| 128 | G | 22.8 | Very low | 26.8 | Very low | 70 Ų | 70 | 149.5 Ų | 149.5 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | -73.9 | 153.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 129 | Q | 25 | Very low | 26.6 | Very low | 164 Ų | 164 | 151.6 Ų | 151.6 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | -137.6 | 104.2 | 144.5 | -73.8 | -159.6 | 14.2 | 0 | 0 | 108.7 | | |
| 130 | Q | 24.1 | Very low | 26.3 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -81.5 | 120 | 168 | -103.2 | 173.8 | -21.1 | 0 | 0 | 108.4 | | |
| 131 | W | 25 | Very low | 26.2 | Very low | 222 Ų | 222 | 148.1 Ų | 148.1 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | trans | -93.7 | 107.4 | 163 | -71.6 | 89.2 | 0 | 0 | 0 | 108.5 | | |
| 132 | V | 22.6 | Very low | 26.1 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -86.9 | 115.1 | 172.5 | 176.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 133 | T | 27.6 | Very low | 26.1 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -86.3 | 136.4 | 170.7 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | S135 | T133-S135 PolarHBondContact O-N 2.82Š|
| 134 | S | 26.3 | Very low | 26.1 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 94% | 0.937 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -70.4 | 26.3 | -167.7 | 55.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 135 | S | 31.2 | Very low | 26.3 | Very low | 91 Ų | 91 | 141.9 Ų | 141.9 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | trans | -124 | 84 | 174.6 | 60.7 | 0 | 0 | 0 | 0 | 109.2 | T133 R137 | T133-S135 PolarHBondContact O-N 2.82Å; S135-R137 PolarHBondContact O-N 3.4Å |
| 136 | G | 26.3 | Very low | 26.5 | Very low | 86 Ų | 86 | 139.6 Ų | 139.6 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | | | trans | -64.9 | 66.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 137 | R | 25 | Very low | 26.7 | Very low | 225 Ų | 225 | 141.2 Ų | 141.2 | 85% | 0.849 | 77% | 0.768 | S | S | * | * | | | trans | -127.6 | 119.7 | 165.5 | -72.2 | -171 | 178.5 | -167.8 | 0.3 | 109.8 | S135 K139 | S135-R137 PolarHBondContact O-N 3.4Å; R137-K139 PolarHBondContact O-N 3.16Å |
| 138 | P | 25.4 | Very low | 27 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | trans | -71.8 | 100.8 | 172.3 | 29.1 | -29.1 | 0 | 0 | 0 | 107.7 | V140 | P138-V140 PolarHBondContact O-N 3.41Š|
| 139 | K | 27.4 | Very low | 27.4 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | | | trans | -78.6 | 98.2 | 167.9 | -126.2 | -170.1 | -179.9 | -159.7 | 0 | 107.4 | R137 E141 | R137-K139 PolarHBondContact O-N 3.16Å; K139-E141 HydrophobicContact CD-CG 4.41Å; K139-E141 WeakPolarHBondContact CE-OE1 3.35Å; K139-E141 IonicContact NZ-OE1 2.68Å; K139-E141 PolarHBondContact NZ-OE1 3.36Å; K139-E141 IonicContact NZ-OE2 2.69Å; K139-E141 PolarHBondContact O-N 3.16Å; K139-E141 VanDerWaalsContact O-N 3.09Å |
| 140 | V | 25.7 | Very low | 27.7 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | | | trans | -71.2 | 86.6 | 160.3 | 179.6 | 0 | 0 | 0 | 0 | 106 | P138 | P138-V140 PolarHBondContact O-N 3.41Š|
| 141 | E | 28.5 | Very low | 28.1 | Very low | 131 Ų | 131 | 131 Ų | 131 | 61% | 0.612 | 72% | 0.719 | S | S | * | * | | | trans | -95.3 | 98.8 | 164.5 | -98.6 | 171.2 | -179.7 | 0 | 0 | 107.5 | K139 D143 | K139-E141 HydrophobicContact CD-CG 4.41Å; K139-E141 WeakPolarHBondContact CE-OE1 3.35Å; K139-E141 IonicContact NZ-OE1 2.68Å; K139-E141 PolarHBondContact NZ-OE1 3.36Å; K139-E141 IonicContact NZ-OE2 2.69Å; K139-E141 PolarHBondContact O-N 3.16Å; K139-E141 VanDerWaalsContact O-N 3.09Å; E141-D143 PolarHBondContact O-N 3.25Å; E141-D143 VanDerWaalsContact O-N 3.16Å |
| 142 | Q | 27.8 | Very low | 28.5 | Very low | 175 Ų | 175 | 129.1 Ų | 129.1 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | | | trans | -50.4 | 108 | 150.6 | -74.7 | 173.5 | -39 | 0 | 0 | 107.2 | | |
| 143 | D | 27.5 | Very low | 29.1 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 65% | 0.652 | 70% | 0.699 | S | S | * | * | | | trans | -172.5 | 66.4 | 164.5 | -91.1 | -27 | 0 | 0 | 0 | 109.8 | E141 | E141-D143 PolarHBondContact O-N 3.25Å; E141-D143 VanDerWaalsContact O-N 3.16Å |
| 144 | G | 27.4 | Very low | 29.3 | Very low | 85 Ų | 85 | 129 Ų | 129 | 88% | 0.876 | 69% | 0.691 | S | S | * | * | | | trans | -98.5 | 20.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 145 | T | 29.1 | Very low | 29.7 | Very low | 85 Ų | 85 | 128 Ų | 128 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | | | trans | -78 | 136.5 | 177.3 | 32.3 | 0 | 0 | 0 | 0 | 110.8 | E147 S148 | T145-E147 PolarHBondContact O-N 3.45Å; T145-S148 PolarHBondContact O-N 3.02Å; T145-S148 VanDerWaalsContact O-N 3.11Å; T145-S148 PolarHBondContact O-OG 3.18Å |
| 146 | I | 29.6 | Very low | 29.9 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 70% | 0.697 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -45.2 | -21.1 | 179.1 | -69.5 | 163.9 | 0 | 0 | 0 | 113.7 | L150 | I146-L150 HydrophobicContact CG2-CD1 3.91Å; I146-L150 PolarHBondContact O-N 3.33Å |
| 147 | E | 31.4 | Very low | 30.1 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 72% | 0.724 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71 | -31.6 | 180 | -70.4 | -173.2 | 137.6 | 0 | 0 | 115.3 | T145 R151 | T145-E147 PolarHBondContact O-N 3.45Å; E147-R151 PolarHBondContact O-N 3.35Å |
| 148 | S | 30.7 | Very low | 30.4 | Very low | 63 Ų | 63 | 123 Ų | 123 | 44% | 0.441 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74.3 | -29.7 | -179 | 65.2 | 0 | 0 | 0 | 0 | 112.5 | T145 | T145-S148 PolarHBondContact O-N 3.02Å; T145-S148 VanDerWaalsContact O-N 3.11Å; T145-S148 PolarHBondContact O-OG 3.18Å |
| 149 | T | 31.4 | Very low | 30.6 | Very low | 90 Ų | 90 | 123.6 Ų | 123.6 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75.8 | -33.9 | 177 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | I153 | T149-I153 HydrophobicContact CG2-CD1 4.37Å; T149-I153 WeakPolarHBondContact O-CD1 3.41Å; T149-I153 WeakPolarHBondContact O-CG1 3.18Å |
| 150 | L | 30.9 | Very low | 30.7 | Very low | 108 Ų | 108 | 121 Ų | 121 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74 | -27.8 | 176.9 | -74.4 | 167 | 0 | 0 | 0 | 113.3 | I146 R154 | I146-L150 HydrophobicContact CG2-CD1 3.91Å; I146-L150 PolarHBondContact O-N 3.33Å; L150-R154 PolarHBondContact O-N 3.39Å |
| 151 | R | 33.3 | Very low | 30.8 | Very low | 181 Ų | 181 | 122.5 Ų | 122.5 | 68% | 0.683 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.2 | -36.8 | 178.4 | -150.1 | 175.4 | -167.1 | 168.3 | 5.8 | 112.7 | E147 R154 E155 | E147-R151 PolarHBondContact O-N 3.35Å; R151-R154 PolarHBondContact O-N 3.46Å; R151-E155 PolarHBondContact O-N 2.95Å |
| 152 | R | 34.6 | Very low | 30.6 | Very low | 183 Ų | 183 | 124.1 Ų | 124.1 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.6 | -39.2 | 178.2 | -150.6 | 175.4 | -165.9 | 176.5 | 5.2 | 112.9 | R154 E155 E156 | R152-R154 VanDerWaalsContact C-N 3.26Å; R152-R154 PolarHBondContact O-N 3.33Å; R152-E155 PolarHBondContact O-N 3.34Å; R152-E156 WeakPolarHBondContact O-CG 3.33Å; R152-E156 PolarHBondContact O-N 3.28Å |
| 153 | I | 33.5 | Very low | 30.5 | Very low | 101 Ų | 101 | 119 Ų | 119 | 52% | 0.518 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68 | -28.2 | 176.5 | -63.9 | 168.5 | 0 | 0 | 0 | 111.5 | T149 S157 | T149-I153 HydrophobicContact CG2-CD1 4.37Å; T149-I153 WeakPolarHBondContact O-CD1 3.41Å; T149-I153 WeakPolarHBondContact O-CG1 3.18Å; I153-S157 PolarHBondContact O-OG 3.5Å |
| 154 | R | 32.3 | Very low | 30.5 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 53% | 0.525 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -80.4 | -31 | -179.5 | -156.4 | 172.3 | -148.8 | -179.5 | 2.9 | 113.5 | L150 R151 R152 | L150-R154 PolarHBondContact O-N 3.39Å; R151-R154 PolarHBondContact O-N 3.46Å; R152-R154 VanDerWaalsContact C-N 3.26Å; R152-R154 PolarHBondContact O-N 3.33Å |
| 155 | E | 35.1 | Very low | 30.4 | Very low | 112 Ų | 112 | 124 Ų | 124 | 52% | 0.523 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -83.7 | -30.1 | 179.2 | -72.5 | 171.7 | -177.4 | 0 | 0 | 112.4 | R151 R152 S157 S158 | R151-E155 PolarHBondContact O-N 2.95Å; R152-E155 PolarHBondContact O-N 3.34Å; E155-S157 VanDerWaalsContact C-N 3.28Å; E155-S157 PolarHBondContact O-N 3.5Å; E155-S158 PolarHBondContact O-N 3.22Å; E155-S158 PolarHBondContact O-OG 2.84Å |
| 156 | E | 34.9 | Very low | 30.2 | Very low | 138 Ų | 138 | 126 Ų | 126 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.6 | -17.6 | 173.9 | -72.3 | 176.9 | -177.1 | 0 | 0 | 113.5 | R152 | R152-E156 WeakPolarHBondContact O-CG 3.33Å; R152-E156 PolarHBondContact O-N 3.28Å |
| 157 | S | 31.3 | Very low | 29.8 | Very low | 74 Ų | 74 | 124.7 Ų | 124.7 | 52% | 0.517 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.7 | -7 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | I153 E155 | I153-S157 PolarHBondContact O-OG 3.5Å; E155-S157 VanDerWaalsContact C-N 3.28Å; E155-S157 PolarHBondContact O-N 3.5Å |
| 158 | S | 31.4 | Very low | 29.5 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 60% | 0.601 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -109.8 | 2.2 | -174.1 | 54.2 | 0 | 0 | 0 | 0 | 115.4 | E155 | E155-S158 PolarHBondContact O-N 3.22Å; E155-S158 PolarHBondContact O-OG 2.84Å |
| 159 | L | 28.3 | Very low | 29.2 | Very low | 137 Ų | 137 | 127 Ų | 127 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | | | trans | -124.1 | 71.6 | -172.9 | -84.3 | 154.1 | 0 | 0 | 0 | 111.6 | | |
| 160 | S | 29.7 | Very low | 28.8 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | | | trans | -179.4 | 62.8 | 162.9 | 27.3 | 0 | 0 | 0 | 0 | 109 | | |
| 161 | Q | 27.5 | Very low | 28.4 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 77% | 0.771 | 71% | 0.706 | S | S | * | * | | | | 30.6 | 111.5 | 84.7 | -85 | -164.2 | 23.6 | 0 | 0 | 115.7 | | |
| 162 | L | 25.8 | Very low | 28 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | | | trans | 75.8 | 110.4 | 147.4 | -70.5 | 144.3 | 0 | 0 | 0 | 118.8 | | |
| 163 | G | 25.2 | Very low | 27.4 | Very low | 67 Ų | 67 | 125.5 Ų | 125.5 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | | | trans | 143.8 | 98.9 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 164 | T | 27.3 | Very low | 26.9 | Very low | 149 Ų | 149 | 123.5 Ų | 123.5 | 91% | 0.914 | 73% | 0.732 | S | S | * | * | | | trans | 69.6 | 112.1 | 143.3 | 38.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 165 | Q | 24.5 | Very low | 26.3 | Very low | 162 Ų | 162 | 124 Ų | 124 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | | | trans | -69.3 | 168.7 | 156.2 | -68.5 | -167 | 8 | 0 | 0 | 112.1 | | |
| 166 | P | 24.9 | Very low | 25.7 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | | -136.4 | 148.4 | 108.9 | 33.8 | -20.7 | 0 | 0 | 0 | 115.8 | | |
| 167 | V | 22.6 | Very low | 25.1 | Very low | 108 Ų | 108 | 129 Ų | 129 | 66% | 0.655 | 77% | 0.766 | S | S | * | * | | | trans | -86.4 | 132.7 | 172.3 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 168 | L | 24.8 | Very low | 24.7 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | | | trans | -151.6 | 99.9 | 154.7 | -78.2 | 173.8 | 0 | 0 | 0 | 106.7 | | |
| 169 | S | 23.2 | Very low | 24.2 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | | | | 71.6 | 95.7 | 77.6 | -174.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 170 | Q | 23 | Very low | 23.9 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | 49.5 | 105.2 | 138.8 | -61.1 | -174.6 | -1.3 | 0 | 0 | 120.2 | | |
| 171 | S | 23.4 | Very low | 23.6 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | | -158.9 | 125.5 | 129.1 | 70.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 172 | V | 23.9 | Very low | 23.5 | Very low | 147 Ų | 147 | 143 Ų | 143 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 46.9 | 90.7 | 158.4 | -152.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 173 | G | 23.3 | Very low | 23.3 | Very low | 90 Ų | 90 | 144.3 Ų | 144.3 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 69 | 47.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 174 | G | 21.6 | Very low | 23.3 | Very low | 60 Ų | 60 | 148.7 Ų | 148.7 | 62% | 0.619 | 80% | 0.797 | S | S | * | * | | | trans | 169.7 | 152.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 175 | L | 20.8 | Very low | 23.1 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | 97.1 | 110.2 | 175.2 | -60.8 | 154.3 | 0 | 0 | 0 | 116.5 | F177 | L175-F177 HydrophobicContact CD2-CD2 3.66Å; L175-F177 HydrophobicContact CD2-CE2 3.62Å |
| 176 | Q | 22.8 | Very low | 23.1 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 94% | 0.944 | 78% | 0.775 | S | S | * | * | | | | -144.5 | 112.5 | 123 | -104.9 | -172.5 | 14.1 | 0 | 0 | 109.8 | | |
| 177 | F | 21.7 | Very low | 23.1 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 67% | 0.667 | 78% | 0.776 | S | S | * | * | | | trans | -89.5 | 141 | 160 | -74.8 | -93.7 | 0 | 0 | 0 | 108.3 | L175 | L175-F177 HydrophobicContact CD2-CD2 3.66Å; L175-F177 HydrophobicContact CD2-CE2 3.62Å |
| 178 | Q | 22.9 | Very low | 23.1 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | -170.1 | 113.8 | 142.2 | -108.2 | 168.4 | 24 | 0 | 0 | 114.5 | | |
| 179 | R | 21.9 | Very low | 23.1 | Very low | 254 Ų | 254 | 143.7 Ų | 143.7 | 96% | 0.958 | 78% | 0.776 | S | S | * | * | | | trans | 40.9 | 141.3 | 144.1 | -87.9 | 178.6 | 158.3 | -175.9 | -7 | 124.1 | | |
| 180 | K | 22.2 | Very low | 23.2 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | | | trans | -90.3 | 143.2 | -169.2 | -82.5 | 177.5 | 173.3 | 176.5 | 0 | 116.3 | | |
| 181 | L | 22.5 | Very low | 23.6 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | 74.8 | 158.6 | 142.6 | -66 | 163.1 | 0 | 0 | 0 | 120.4 | | |
| 182 | P | 24.7 | Very low | 24.1 | Very low | 89 Ų | 89 | 145.8 Ų | 145.8 | 58% | 0.578 | 78% | 0.78 | S | S | * | * | | | cis | -136.2 | 160.3 | -3.3 | 35 | -13.8 | 0 | 0 | 0 | 118.3 | | |
| 183 | Y | 22.3 | Very low | 24.2 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | 35 | 116 | 146 | -132.6 | -96.6 | 0 | 0 | 0 | 123.9 | A185 | Y183-A185 HydrophobicContact CD1-CB 4.43Å; Y183-A185 HydrophobicContact CE1-CB 3.88Å |
| 184 | I | 24.2 | Very low | 24.3 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | -139.5 | 114 | 146.3 | -54 | 179.2 | 0 | 0 | 0 | 110.4 | | |
| 185 | A | 23.6 | Very low | 24.6 | Very low | 53 Ų | 53 | 153 Ų | 153 | 44% | 0.438 | 78% | 0.784 | S | S | . | * | | | trans | -83.3 | -169.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y183 | Y183-A185 HydrophobicContact CD1-CB 4.43Å; Y183-A185 HydrophobicContact CE1-CB 3.88Å |
| 186 | P | 25.3 | Very low | 24.8 | Very low | 120 Ų | 120 | 154.2 Ų | 154.2 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | | -88.7 | 154.4 | -107.1 | 36.6 | -22 | 0 | 0 | 0 | 113.6 | P188 | P186-P188 WeakPolarHBondContact O-CD 3.45Š|
| 187 | A | 24.5 | Very low | 24.8 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 119.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 188 | P | 23.7 | Very low | 24.9 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 154.7 | 173.4 | 33.6 | -31.4 | 0 | 0 | 0 | 110.9 | P186 | P186-P188 WeakPolarHBondContact O-CD 3.45Š|
| 189 | W | 23.3 | Very low | 25 | Very low | 241 Ų | 241 | 146.8 Ų | 146.8 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | | | trans | -31.7 | 133.3 | 176 | -3.6 | -59.9 | 0 | 0 | 0 | 114.3 | | |
| 190 | T | 26 | Very low | 25.1 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | | | trans | -103.7 | 120.7 | 144 | 49.7 | 0 | 0 | 0 | 0 | 108.6 | T192 | T190-T192 PolarHBondContact O-N 3.46Š|
| 191 | Q | 30.8 | Very low | 25.2 | Very low | 197 Ų | 197 | 145.4 Ų | 145.4 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -65.6 | 16 | -177.9 | -145.1 | 170.3 | 14.6 | 0 | 0 | 113.9 | | |
| 192 | T | 33.7 | Very low | 25.1 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -150 | 65.4 | -163.9 | 39.8 | 0 | 0 | 0 | 0 | 109.8 | T190 Q194 | T190-T192 PolarHBondContact O-N 3.46Å; T192-Q194 PolarHBondContact O-N 3.4Å |
| 193 | G | 27.1 | Very low | 25.2 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | | | | 88.8 | 2.6 | 118.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 194 | Q | 25.5 | Very low | 25.1 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | -135.2 | 104.5 | 169.3 | -72.2 | -148.6 | -4.8 | 0 | 0 | 113.9 | T192 | T192-Q194 PolarHBondContact O-N 3.4Š|
| 195 | Q | 26.7 | Very low | 25.2 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | | | trans | -90 | 105.3 | 165.8 | -153.6 | 179.1 | 33.9 | 0 | 0 | 107.8 | | |
| 196 | Q | 24.8 | Very low | 25.3 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69 | 130 | 171.6 | -73.3 | 179.6 | -19.2 | 0 | 0 | 109.9 | | |
| 197 | S | 24 | Very low | 25.2 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 137.1 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 198 | P | 24 | Very low | 25.2 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -89.3 | 120.5 | 165.9 | 12.9 | 4.3 | 0 | 0 | 0 | 111.2 | | |
| 199 | L | 24.1 | Very low | 25.1 | Very low | 159 Ų | 159 | 152.3 Ų | 152.3 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | 82.4 | 88.6 | 162.1 | -78 | 86.9 | 0 | 0 | 0 | 120 | | |
| 200 | N | 24.3 | Very low | 25 | Very low | 168 Ų | 168 | 145 Ų | 145 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | trans | -67 | 114.7 | 142.5 | -84.7 | -34.6 | 0 | 0 | 0 | 109.6 | | |
| 201 | W | 24.8 | Very low | 24.8 | Very low | 227 Ų | 227 | 143 Ų | 143 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -98.4 | 100.2 | 152.2 | 60.6 | -85.1 | 0 | 0 | 0 | 107.7 | | |
| 202 | R | 20.3 | Very low | 24.4 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | | | trans | -90.3 | 125.4 | 171.7 | -150.1 | -174.8 | -177.9 | 168.4 | 5.3 | 106.6 | D204 | R202-D204 IonicContact CZ-OD2 3.1Å; R202-D204 IonicContact NE-OD2 3.81Å; R202-D204 PolarHBondContact NE-OD2 3Å; R202-D204 VanDerWaalsContact NE-OD2 3.1Å; R202-D204 IonicContact NH2-OD2 2.89Å |
| 203 | T | 25.3 | Very low | 23.8 | Very low | 129 Ų | 129 | 147 Ų | 147 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | | | trans | -142.8 | 84.9 | 139.7 | 25.9 | 0 | 0 | 0 | 0 | 107.8 | N205 | T203-N205 PolarHBondContact O-N 3.31Š|
| 204 | D | 21.9 | Very low | 23.6 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 56% | 0.561 | 82% | 0.82 | S | S | * | * | | | trans | -45.1 | 127.6 | 143.8 | -70 | -50.8 | 0 | 0 | 0 | 107.8 | R202 | R202-D204 IonicContact CZ-OD2 3.1Å; R202-D204 IonicContact NE-OD2 3.81Å; R202-D204 PolarHBondContact NE-OD2 3Å; R202-D204 VanDerWaalsContact NE-OD2 3.1Å; R202-D204 IonicContact NH2-OD2 2.89Å |
| 205 | N | 26.2 | Very low | 23.4 | Very low | 143 Ų | 143 | 143.6 Ų | 143.6 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | | | trans | -179.1 | 88.5 | 139.5 | -88.6 | -16.7 | 0 | 0 | 0 | 109.1 | T203 Q207 | T203-N205 PolarHBondContact O-N 3.31Å; N205-Q207 PolarHBondContact O-N 2.93Å |
| 206 | T | 24.8 | Very low | 23.2 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | | | trans | -16.6 | 97.9 | 137.2 | 42.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 207 | Q | 24.4 | Very low | 23.1 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | trans | -143.7 | 119 | 153.5 | -86.1 | -164.9 | -21.1 | 0 | 0 | 110.2 | N205 | N205-Q207 PolarHBondContact O-N 2.93Š|
| 208 | P | 23.8 | Very low | 23.1 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -87 | 123.3 | 173.5 | 32.3 | -26.8 | 0 | 0 | 0 | 110 | | |
| 209 | G | 21.4 | Very low | 23.2 | Very low | 80 Ų | 80 | 145.5 Ų | 145.5 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 101.7 | 115.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 210 | G | 21.1 | Very low | 23.3 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | 98.5 | 119.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 211 | G | 21.5 | Very low | 23.4 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | 146.4 | 70.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 212 | Q | 23.3 | Very low | 23.5 | Very low | 189 Ų | 189 | 131.2 Ų | 131.2 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | | | trans | 43.5 | 113.6 | 141.2 | -70.2 | 174.3 | -2.9 | 0 | 0 | 119.7 | A214 | Q212-A214 PolarHBondContact O-N 3.33Š|
| 213 | F | 21.4 | Very low | 23.9 | Very low | 208 Ų | 208 | 125.2 Ų | 125.2 | 91% | 0.912 | 74% | 0.744 | S | S | * | * | | | trans | -46.8 | 120.4 | 150.5 | -68.3 | -99 | 0 | 0 | 0 | 111.3 | | |
| 214 | A | 22.1 | Very low | 23.9 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | | | trans | -144.8 | 113.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q212 W216 | Q212-A214 PolarHBondContact O-N 3.33Å; A214-W216 PolarHBondContact O-N 3.01Å |
| 215 | A | 21.9 | Very low | 24 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | 18.9 | 95.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | N217 | A215-N217 PolarHBondContact O-N 3.04Š|
| 216 | W | 21.9 | Very low | 24.1 | Very low | 224 Ų | 224 | 129.5 Ų | 129.5 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | -90.2 | 76.8 | 161.3 | -128.8 | 44.6 | 0 | 0 | 0 | 109.8 | A214 G218 M220 | A214-W216 PolarHBondContact O-N 3.01Å; W216-G218 VanDerWaalsContact C-N 3.25Å; W216-G218 PolarHBondContact O-N 3.28Å; W216-M220 HydrophobicContact CZ3-CE 4.36Å |
| 217 | N | 23.6 | Very low | 24.2 | Very low | 158 Ų | 158 | 125.7 Ų | 125.7 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | | | trans | -87.5 | 69.5 | 157.1 | -80.3 | -21.5 | 0 | 0 | 0 | 107.3 | A215 | A215-N217 PolarHBondContact O-N 3.04Š|
| 218 | G | 23.4 | Very low | 24.4 | Very low | 50 Ų | 50 | 120 Ų | 120 | 52% | 0.515 | 72% | 0.716 | S | S | . | * | | | trans | -106.4 | 111.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | W216 M220 | W216-G218 VanDerWaalsContact C-N 3.25Å; W216-G218 PolarHBondContact O-N 3.28Å; G218-M220 PolarHBondContact O-N 3.35Å |
| 219 | Y | 25.5 | Very low | 24.6 | Very low | 213 Ų | 213 | 116.6 Ų | 116.6 | 84% | 0.835 | 70% | 0.699 | S | S | * | * | | | trans | -58 | 107 | 161.2 | -68.6 | -96.9 | 0 | 0 | 0 | 107.6 | G221 | Y219-G221 PolarHBondContact O-N 2.97Š|
| 220 | M | 26.2 | Very low | 24.9 | Very low | 129 Ų | 129 | 117.5 Ų | 117.5 | 64% | 0.635 | 70% | 0.699 | S | S | * | * | | | trans | -84.4 | 93.1 | 170.7 | -149.6 | -173.6 | -55.5 | 0 | 0 | 106.7 | W216 G218 I222 W244 | W216-M220 HydrophobicContact CZ3-CE 4.36Å; G218-M220 PolarHBondContact O-N 3.35Å; M220-I222 PolarHBondContact O-N 3.42Å; M220-W244 HydrophobicContact CE-CH2 3.97Å; M220-W244 HydrophobicContact SD-CH2 4.4Å |
| 221 | G | 26 | Very low | 25.1 | Very low | 63 Ų | 63 | 114.9 Ų | 114.9 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 127 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y219 P223 | Y219-G221 PolarHBondContact O-N 2.97Å; G221-P223 WeakPolarHBondContact O-CD 3.31Å |
| 222 | I | 27.7 | Very low | 25.3 | Very low | 62 Ų | 62 | 117.1 Ų | 117.1 | 32% | 0.318 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 121.8 | 169.1 | -59.2 | 173.3 | 0 | 0 | 0 | 106.3 | M220 R224 M226 I284 | M220-I222 PolarHBondContact O-N 3.42Å; I222-R224 PolarHBondContact O-N 3.36Å; I222-M226 HydrophobicContact CG2-CE 4.39Å; I222-I284 HydrophobicContact CD1-CB 4.35Å; I222-I284 HydrophobicContact CD1-CG2 4.37Å |
| 223 | P | 27.8 | Very low | 25.5 | Very low | 78 Ų | 78 | 112.6 Ų | 112.6 | 51% | 0.506 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 128 | 175.1 | -20.7 | 30.9 | 0 | 0 | 0 | 108.7 | G221 S225 M226 | G221-P223 WeakPolarHBondContact O-CD 3.31Å; P223-S225 PolarHBondContact O-N 3.02Å; P223-M226 PolarHBondContact O-N 3.43Å |
| 224 | R | 25.7 | Very low | 25.7 | Very low | 264 Ų | 264 | 105 Ų | 105 | 100% | 0.996 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | 7.3 | 171.4 | -78.2 | -172.4 | -179.1 | -170.4 | -0.9 | 113.8 | I222 | I222-R224 PolarHBondContact O-N 3.36Š|
| 225 | S | 24.9 | Very low | 25.9 | Very low | 101 Ų | 101 | 102.8 Ų | 102.8 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -1.9 | -179.9 | 66.2 | 0 | 0 | 0 | 0 | 114.7 | P223 G227 | P223-S225 PolarHBondContact O-N 3.02Å; S225-G227 VanDerWaalsContact C-N 3.28Å; S225-G227 PolarHBondContact O-N 3.18Å; S225-G227 VanDerWaalsContact O-N 3.11Å |
| 226 | M | 27.7 | Very low | 26.3 | Very low | 103 Ų | 103 | 101.1 Ų | 101.1 | 51% | 0.507 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -83.7 | 82 | 165.4 | -68.4 | -145.2 | -61.7 | 0 | 0 | 108.8 | I222 P223 R239 | I222-M226 HydrophobicContact CG2-CE 4.39Å; P223-M226 PolarHBondContact O-N 3.43Å; M226-R239 WeakPolarHBondContact CE-O 3.48Å |
| 227 | G | 26.1 | Very low | 26.8 | Very low | 58 Ų | 58 | 92.1 Ų | 92.1 | 60% | 0.598 | 57% | 0.567 | S | S | * | * | | | trans | -55.8 | 143.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S225 A229 | S225-G227 VanDerWaalsContact C-N 3.28Å; S225-G227 PolarHBondContact O-N 3.18Å; S225-G227 VanDerWaalsContact O-N 3.11Å; G227-A229 PolarHBondContact O-N 3.43Å |
| 228 | P | 29.4 | Very low | 27.3 | Very low | 63 Ų | 63 | 87.6 Ų | 87.6 | 41% | 0.409 | 54% | 0.539 | S | S | . | . | | | trans | -54.8 | 125.9 | 177.7 | 23.4 | -32.8 | 0 | 0 | 0 | 108.9 | A230 D236 | P228-A230 VanDerWaalsContact C-N 3.34Å; P228-A230 PolarHBondContact O-N 2.96Å; P228-D236 HydrophobicContact CB-CB 3.97Å; P228-D236 WeakPolarHBondContact CB-OD1 3.48Å; P228-D236 WeakPolarHBondContact CG-OD1 3.47Å |
| 229 | A | 28.9 | Very low | 27.8 | Very low | 61 Ų | 61 | 93.4 Ų | 93.4 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | | | trans | -62.5 | 107.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | G227 A231 | G227-A229 PolarHBondContact O-N 3.43Å; A229-A231 PolarHBondContact O-N 3.29Å |
| 230 | A | 26.4 | Very low | 28.2 | Very low | 100 Ų | 100 | 84.4 Ų | 84.4 | 83% | 0.826 | 51% | 0.512 | S | S | * | . | | | trans | -51.3 | 102.9 | -175 | 0 | 0 | 0 | 0 | 0 | 109.7 | P228 | P228-A230 VanDerWaalsContact C-N 3.34Å; P228-A230 PolarHBondContact O-N 2.96Å |
| 231 | A | 25.3 | Very low | 28.5 | Very low | 32 Ų | 32 | 84.9 Ų | 84.9 | 26% | 0.264 | 51% | 0.513 | S | S | . | . | | | trans | -83.3 | 143.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | A229 A233 I235 V237 | A229-A231 PolarHBondContact O-N 3.29Å; A231-A233 PolarHBondContact O-N 3.43Å; A231-I235 HydrophobicContact CB-CB 4.46Å; A231-I235 WeakPolarHBondContact CB-O 3.33Å; A231-V237 HydrophobicContact CB-CG2 3.81Å |
| 232 | P | 25.5 | Very low | 28.8 | Very low | 123 Ų | 123 | 83.2 Ų | 83.2 | 80% | 0.799 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 130.7 | 171.7 | 26.3 | -30.7 | 0 | 0 | 0 | 108.2 | | |
| 233 | A | 27.1 | Very low | 29.1 | Very low | 94 Ų | 94 | 88.1 Ų | 88.1 | 78% | 0.777 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | A231 I235 | A231-A233 PolarHBondContact O-N 3.43Å; A233-I235 PolarHBondContact O-N 3.08Å |
| 234 | G | 26 | Very low | 29.3 | Very low | 47 Ų | 47 | 87.9 Ų | 87.9 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | S | Bend | trans | 70.6 | 34.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A278 | G234-A278 WeakPolarHBondContact O-CB 3.47Å; G234-A278 PolarHBondContact O-N 3.06Å; G234-A278 VanDerWaalsContact O-N 3.16Å |
| 235 | I | 27.3 | Very low | 29.3 | Very low | 45 Ų | 45 | 78 Ų | 78 | 23% | 0.231 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.9 | 178.2 | -63.5 | 168.8 | 0 | 0 | 0 | 107.9 | A231 A233 V237 K275 | A231-I235 HydrophobicContact CB-CB 4.46Å; A231-I235 WeakPolarHBondContact CB-O 3.33Å; A233-I235 PolarHBondContact O-N 3.08Å; I235-V237 HydrophobicContact CG2-CG2 4.46Å; I235-K275 HydrophobicContact CD1-CD 4.19Å; I235-K275 HydrophobicContact CG2-CB 3.79Å; I235-K275 HydrophobicContact CG2-CG 3.84Å |
| 236 | D | 30.7 | Very low | 29.5 | Very low | 55 Ų | 55 | 78.8 Ų | 78.8 | 29% | 0.294 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 128.1 | 169.6 | -68.6 | -31.5 | 0 | 0 | 0 | 109.5 | P228 Y238 I274 | P228-D236 HydrophobicContact CB-CB 3.97Å; P228-D236 WeakPolarHBondContact CB-OD1 3.48Å; P228-D236 WeakPolarHBondContact CG-OD1 3.47Å; D236-Y238 HydrophobicContact CB-CE2 3.77Å; D236-I274 VanDerWaalsContact O-O 3.11Å |
| 237 | V | 32.2 | Very low | 29.5 | Very low | 35 Ų | 35 | 82 Ų | 82 | 21% | 0.212 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.7 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | A231 I235 T273 | A231-V237 HydrophobicContact CB-CG2 3.81Å; I235-V237 HydrophobicContact CG2-CG2 4.46Å; V237-T273 HydrophobicContact CG1-CG2 4.41Å |
| 238 | Y | 34.6 | Very low | 29.7 | Very low | 63 Ų | 63 | 87 Ų | 87 | 25% | 0.247 | 50% | 0.496 | C | S | . | . | | | trans | -96.7 | 131.5 | 173.1 | -63.4 | -89.2 | 0 | 0 | 0 | 109.7 | D236 V276 I284 | D236-Y238 HydrophobicContact CB-CE2 3.77Å; Y238-V276 HydrophobicContact CE2-CG2 4.3Å; Y238-I284 HydrophobicContact CD1-CD1 4.28Å; Y238-I284 HydrophobicContact CD2-CD1 3.49Å; Y238-I284 VanDerWaalsContact CD2-CD1 3.49Å; Y238-I284 HydrophobicContact CE2-CD1 3.87Å; Y238-I284 HydrophobicContact CG-CD1 3.73Å |
| 239 | R | 32 | Very low | 29.4 | Very low | 173 Ų | 173 | 88.4 Ų | 88.4 | 65% | 0.653 | 50% | 0.497 | S | S | * | . | | | trans | -107.2 | 115 | 170.6 | -71.2 | -175.7 | 177.8 | -173.9 | -1.4 | 108.9 | M226 | M226-R239 WeakPolarHBondContact CE-O 3.48Š|
| 240 | V | 34.6 | Very low | 29.2 | Very low | 23 Ų | 23 | 91.5 Ų | 91.5 | 14% | 0.139 | 51% | 0.512 | C | S | . | . | | | trans | -102 | 125.9 | 172.9 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | V286 | V240-V286 HydrophobicContact CG2-CG2 4.45Š|
| 241 | Q | 31.9 | Very low | 29.2 | Very low | 140 Ų | 140 | 90.2 Ų | 90.2 | 65% | 0.654 | 49% | 0.494 | S | S | * | . | | | trans | -106.7 | 135.6 | 176.1 | 170.7 | 164.7 | 15.9 | 0 | 0 | 109.7 | W244 M269 | Q241-W244 PolarHBondContact O-NE1 3.08Å; Q241-M269 HydrophobicContact CB-CE 3.95Å; Q241-M269 HydrophobicContact CB-SD 4.49Å; Q241-M269 HydrophobicContact CG-CE 3.4Å; Q241-M269 VanDerWaalsContact CG-CE 3.4Å; Q241-M269 HydrophobicContact CG-SD 3.52Å; Q241-M269 VanDerWaalsContact CG-SD 3.52Å; Q241-M269 PolarHBondContact NE2-SD 3.31Å |
| 242 | G | 33.3 | Very low | 29.3 | Very low | 27 Ų | 27 | 95.2 Ų | 95.2 | 28% | 0.278 | 52% | 0.524 | S | S | . | . | S | Bend | trans | 146 | 176.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115 | W244 | G242-W244 VanDerWaalsContact CA-NE1 3.27Å; G242-W244 PolarHBondContact O-N 2.68Å; G242-W244 VanDerWaalsContact O-N 3.1Å |
| 243 | N | 33.5 | Very low | 29.3 | Very low | 166 Ų | 166 | 97.4 Ų | 97.4 | 89% | 0.888 | 52% | 0.523 | S | S | * | . | | | trans | -81.4 | 81.5 | 175.4 | -76.4 | -23 | 0 | 0 | 0 | 110.1 | | |
| 244 | W | 31.3 | Very low | 29.3 | Very low | 72 Ų | 72 | 97.6 Ų | 97.6 | 27% | 0.273 | 52% | 0.515 | S | S | . | . | | | trans | -107.7 | 133.1 | -178.7 | -52.9 | 94.8 | 0 | 0 | 0 | 111.3 | M220 Q241 G242 V286 | M220-W244 HydrophobicContact CE-CH2 3.97Å; M220-W244 HydrophobicContact SD-CH2 4.4Å; Q241-W244 PolarHBondContact O-NE1 3.08Å; G242-W244 VanDerWaalsContact CA-NE1 3.27Å; G242-W244 PolarHBondContact O-N 2.68Å; G242-W244 VanDerWaalsContact O-N 3.1Å; W244-V286 HydrophobicContact CD2-CG1 4.01Å; W244-V286 HydrophobicContact CE3-CG1 3.67Å; W244-V286 HydrophobicContact CG-CG1 4.48Å; W244-V286 HydrophobicContact CZ3-CG1 4.07Å |
| 245 | T | 27.7 | Very low | 29.5 | Very low | 57 Ų | 57 | 101.9 Ų | 101.9 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | | | trans | -95.3 | 109.4 | 165.9 | -35.8 | 0 | 0 | 0 | 0 | 107.8 | R247 G289 | T245-R247 PolarHBondContact O-N 3.44Å; T245-R247 VanDerWaalsContact O-N 3.1Å; T245-G289 WeakPolarHBondContact CB-O 3.47Å; T245-G289 PolarHBondContact OG1-O 2.96Å |
| 246 | L | 28.9 | Very low | 29.5 | Very low | 118 Ų | 118 | 104.4 Ų | 104.4 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | B | Isolated β-bridge | trans | -68.8 | 103.5 | 170.9 | -90.7 | 140.6 | 0 | 0 | 0 | 108.6 | L272 | L246-L272 HydrophobicContact CD1-CD1 4.22Å; L246-L272 HydrophobicContact CD2-CD1 4.35Å; L246-L272 HydrophobicContact CD2-CD2 4.48Å |
| 247 | R | 26.9 | Very low | 29.4 | Very low | 171 Ų | 171 | 107.8 Ų | 107.8 | 65% | 0.645 | 56% | 0.561 | S | S | * | * | | | trans | -90.4 | 111.7 | 162.1 | -81.8 | -168.9 | 173.9 | -156.7 | -0.2 | 107.9 | T245 E249 | T245-R247 PolarHBondContact O-N 3.44Å; T245-R247 VanDerWaalsContact O-N 3.1Å; R247-E249 HydrophobicContact CB-CG 4.45Å; R247-E249 PolarHBondContact O-N 2.08Å |
| 248 | N | 30.2 | Very low | 29.3 | Very low | 162 Ų | 162 | 112.1 Ų | 112.1 | 87% | 0.866 | 59% | 0.59 | S | S | * | * | | | trans | -73.4 | 81.8 | 167.4 | -151.6 | 9.8 | 0 | 0 | 0 | 107 | P250 | N248-P250 WeakPolarHBondContact O-CD 3.45Š|
| 249 | E | 24.2 | Very low | 29.2 | Very low | 92 Ų | 92 | 111.8 Ų | 111.8 | 43% | 0.43 | 59% | 0.594 | S | S | . | * | | | trans | -77.8 | 117.9 | 168.4 | -75.2 | -173 | 166.2 | 0 | 0 | 106.7 | R247 T251 K287 | R247-E249 HydrophobicContact CB-CG 4.45Å; R247-E249 PolarHBondContact O-N 2.08Å; E249-T251 PolarHBondContact O-N 2.93Å; E249-K287 IonicContact OE2-NZ 3.82Å; E249-K287 PolarHBondContact OE2-NZ 3.02Å |
| 250 | P | 24.5 | Very low | 29.2 | Very low | 126 Ų | 126 | 109 Ų | 109 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | | | trans | -66.7 | 86.1 | 172.6 | 26.9 | -31.7 | 0 | 0 | 0 | 108.2 | N248 | N248-P250 WeakPolarHBondContact O-CD 3.45Š|
| 251 | T | 26.2 | Very low | 29 | Very low | 74 Ų | 74 | 112.8 Ų | 112.8 | 45% | 0.454 | 62% | 0.622 | S | S | . | * | | | trans | -72.1 | 136.1 | 164.5 | 29.2 | 0 | 0 | 0 | 0 | 108.1 | E249 Q253 T254 | E249-T251 PolarHBondContact O-N 2.93Å; T251-Q253 PolarHBondContact O-N 3.13Å; T251-T254 PolarHBondContact O-N 3.38Å; T251-T254 PolarHBondContact OG1-OG1 3.43Å |
| 252 | P | 26.5 | Very low | 28.8 | Very low | 136 Ų | 136 | 109.1 Ų | 109.1 | 88% | 0.883 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 6.8 | -170 | -20.6 | 31.9 | 0 | 0 | 0 | 116 | | |
| 253 | Q | 26.4 | Very low | 28.6 | Very low | 169 Ų | 169 | 110.3 Ų | 110.3 | 79% | 0.79 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | 7.2 | -166 | -66.2 | -161.8 | -18.2 | 0 | 0 | 114.7 | T251 | T251-Q253 PolarHBondContact O-N 3.13Š|
| 254 | T | 27.5 | Very low | 28.3 | Very low | 99 Ų | 99 | 107.8 Ų | 107.8 | 61% | 0.607 | 61% | 0.61 | S | S | * | * | | | trans | -104.3 | 118.1 | -173.4 | -30.7 | 0 | 0 | 0 | 0 | 110.7 | T251 A256 | T251-T254 PolarHBondContact O-N 3.38Å; T251-T254 PolarHBondContact OG1-OG1 3.43Å; T254-A256 PolarHBondContact O-N 2.95Å |
| 255 | M | 29.4 | Very low | 28.1 | Very low | 136 Ų | 136 | 112.4 Ų | 112.4 | 67% | 0.67 | 63% | 0.634 | S | S | * | * | | | trans | -52.8 | 116.1 | 168.6 | -76 | -149.7 | -73.8 | 0 | 0 | 108.8 | Y257 | M255-Y257 VanDerWaalsContact C-N 3.27Å; M255-Y257 HydrophobicContact CB-CD2 4.18Å; M255-Y257 HydrophobicContact CB-CE2 3.89Å; M255-Y257 HydrophobicContact CE-CE2 3.88Å; M255-Y257 WeakPolarHBondContact CE-OH 3.33Å; M255-Y257 PolarHBondContact O-N 3.2Å |
| 256 | A | 27.7 | Very low | 28.2 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 82% | 0.818 | 66% | 0.655 | S | S | * | * | | | trans | -70.2 | 88.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | T254 P258 | T254-A256 PolarHBondContact O-N 2.95Å; A256-P258 WeakPolarHBondContact O-CD 3.29Å |
| 257 | Y | 28.1 | Very low | 28.3 | Very low | 126 Ų | 126 | 117.7 Ų | 117.7 | 49% | 0.494 | 66% | 0.661 | S | S | . | * | | | trans | -72.5 | 122.7 | 164.3 | -72.6 | -81 | 0 | 0 | 0 | 107.9 | M255 T259 | M255-Y257 VanDerWaalsContact C-N 3.27Å; M255-Y257 HydrophobicContact CB-CD2 4.18Å; M255-Y257 HydrophobicContact CB-CE2 3.89Å; M255-Y257 HydrophobicContact CE-CE2 3.88Å; M255-Y257 WeakPolarHBondContact CE-OH 3.33Å; M255-Y257 PolarHBondContact O-N 3.2Å; Y257-T259 PolarHBondContact O-N 2.89Å; Y257-T259 PolarHBondContact O-OG1 3.23Å |
| 258 | P | 29.8 | Very low | 28.3 | Very low | 125 Ų | 125 | 112.9 Ų | 112.9 | 81% | 0.812 | 66% | 0.664 | S | S | * | * | | | trans | -64.3 | 95.5 | 166.9 | 26.8 | -30.5 | 0 | 0 | 0 | 106.8 | A256 P260 | A256-P258 WeakPolarHBondContact O-CD 3.29Å; P258-P260 WeakPolarHBondContact O-CD 3.36Å |
| 259 | T | 33.6 | Very low | 28.3 | Very low | 56 Ų | 56 | 107.3 Ų | 107.3 | 34% | 0.344 | 63% | 0.634 | S | S | . | * | | | trans | -88.9 | 107.5 | 174.7 | -41.1 | 0 | 0 | 0 | 0 | 105.6 | Y257 V261 L272 T273 | Y257-T259 PolarHBondContact O-N 2.89Å; Y257-T259 PolarHBondContact O-OG1 3.23Å; T259-V261 PolarHBondContact O-N 3.1Å; T259-L272 HydrophobicContact CG2-CD1 4.31Å; T259-T273 WeakPolarHBondContact CG2-O 3.4Å |
| 260 | P | 31.1 | Very low | 28.7 | Very low | 116 Ų | 116 | 110.5 Ų | 110.5 | 75% | 0.753 | 64% | 0.642 | S | S | * | * | | | trans | -62.2 | 109.8 | 170.7 | 24.1 | -30.4 | 0 | 0 | 0 | 107.5 | P258 A262 | P258-P260 WeakPolarHBondContact O-CD 3.36Å; P260-A262 VanDerWaalsContact C-N 3.25Å; P260-A262 PolarHBondContact O-N 3.39Å |
| 261 | V | 31 | Very low | 29.1 | Very low | 101 Ų | 101 | 108 Ų | 108 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | | | trans | -74.3 | 88.3 | 169.3 | -175.4 | 0 | 0 | 0 | 0 | 105.9 | T259 A263 | T259-V261 PolarHBondContact O-N 3.1Å; V261-A263 VanDerWaalsContact C-N 3.26Å; V261-A263 PolarHBondContact O-N 3.19Å |
| 262 | A | 27.8 | Very low | 29.6 | Very low | 63 Ų | 63 | 106 Ų | 106 | 52% | 0.521 | 60% | 0.604 | S | S | . | * | | | trans | -71.7 | 92.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107 | P260 N264 | P260-A262 VanDerWaalsContact C-N 3.25Å; P260-A262 PolarHBondContact O-N 3.39Å; A262-N264 VanDerWaalsContact C-N 3.29Å; A262-N264 PolarHBondContact O-N 3.45Å |
| 263 | A | 27.6 | Very low | 30.1 | Very low | 53 Ų | 53 | 102.9 Ų | 102.9 | 44% | 0.438 | 58% | 0.583 | S | S | . | * | | | trans | -69.8 | 93.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | V261 E265 | V261-A263 VanDerWaalsContact C-N 3.26Å; V261-A263 PolarHBondContact O-N 3.19Å; A263-E265 VanDerWaalsContact C-N 3.34Å; A263-E265 HydrophobicContact CB-CG 4.26Å; A263-E265 PolarHBondContact O-N 2.77Å; A263-E265 VanDerWaalsContact O-N 3.11Å |
| 264 | N | 28.3 | Very low | 30.8 | Very low | 113 Ų | 113 | 96.6 Ų | 96.6 | 60% | 0.604 | 56% | 0.555 | S | S | * | * | | | trans | -70.8 | 101.5 | 159.2 | -72.3 | -8 | 0 | 0 | 0 | 105.6 | A262 D266 | A262-N264 VanDerWaalsContact C-N 3.29Å; A262-N264 PolarHBondContact O-N 3.45Å; N264-D266 PolarHBondContact O-N 3.05Å |
| 265 | E | 27.6 | Very low | 31.2 | Very low | 168 Ų | 168 | 98.6 Ų | 98.6 | 79% | 0.785 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 4.5 | -176.6 | -76.3 | -166.8 | 142.4 | 0 | 0 | 113.9 | A263 | A263-E265 VanDerWaalsContact C-N 3.34Å; A263-E265 HydrophobicContact CB-CG 4.26Å; A263-E265 PolarHBondContact O-N 2.77Å; A263-E265 VanDerWaalsContact O-N 3.11Å |
| 266 | D | 28.8 | Very low | 31.5 | Very low | 148 Ų | 148 | 92.4 Ų | 92.4 | 79% | 0.791 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -13.7 | -167.1 | -66.1 | -34.4 | 0 | 0 | 0 | 115.9 | N264 | N264-D266 PolarHBondContact O-N 3.05Š|
| 267 | D | 30.5 | Very low | 31.7 | Very low | 138 Ų | 138 | 90.6 Ų | 90.6 | 74% | 0.738 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -128.5 | 11 | -173 | -77 | -33.6 | 0 | 0 | 0 | 115.4 | M269 | D267-M269 HydrophobicContact CB-CB 4.32Å; D267-M269 HydrophobicContact CB-CG 4.44Å; D267-M269 WeakPolarHBondContact O-CG 3.47Å; D267-M269 PolarHBondContact O-N 3.23Å |
| 268 | G | 27.2 | Very low | 31.7 | Very low | 70 Ų | 70 | 87.8 Ų | 87.8 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 64 | 9.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 269 | M | 29.8 | Very low | 31.5 | Very low | 45 Ų | 45 | 87.2 Ų | 87.2 | 22% | 0.222 | 51% | 0.513 | C | S | . | . | | | trans | -111.7 | 109.4 | -172.8 | -75.1 | -79.6 | -76.7 | 0 | 0 | 109.6 | Q241 D267 F271 | Q241-M269 HydrophobicContact CB-CE 3.95Å; Q241-M269 HydrophobicContact CB-SD 4.49Å; Q241-M269 HydrophobicContact CG-CE 3.4Å; Q241-M269 VanDerWaalsContact CG-CE 3.4Å; Q241-M269 HydrophobicContact CG-SD 3.52Å; Q241-M269 VanDerWaalsContact CG-SD 3.52Å; Q241-M269 PolarHBondContact NE2-SD 3.31Å; D267-M269 HydrophobicContact CB-CB 4.32Å; D267-M269 HydrophobicContact CB-CG 4.44Å; D267-M269 WeakPolarHBondContact O-CG 3.47Å; D267-M269 PolarHBondContact O-N 3.23Å; M269-F271 HydrophobicContact CB-CE2 3.85Å; M269-F271 HydrophobicContact CB-CZ 3.97Å; M269-F271 HydrophobicContact CE-CE1 4.1Å; M269-F271 HydrophobicContact CE-CZ 3.95Å |
| 270 | R | 33 | Very low | 31.3 | Very low | 160 Ų | 160 | 87.2 Ų | 87.2 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | | | trans | -89.3 | 116 | 174.1 | -65 | -172.7 | 177.4 | -150.7 | -6.6 | 109.4 | | |
| 271 | F | 32.4 | Very low | 31.4 | Very low | 73 Ų | 73 | 90.3 Ų | 90.3 | 32% | 0.32 | 53% | 0.526 | S | S | . | . | | | trans | -93.3 | 137 | 174.4 | -59.9 | -83.4 | 0 | 0 | 0 | 110.2 | M269 | M269-F271 HydrophobicContact CB-CE2 3.85Å; M269-F271 HydrophobicContact CB-CZ 3.97Å; M269-F271 HydrophobicContact CE-CE1 4.1Å; M269-F271 HydrophobicContact CE-CZ 3.95Å |
| 272 | L | 37.9 | Very low | 31.6 | Very low | 31 Ų | 31 | 89 Ų | 89 | 16% | 0.162 | 52% | 0.518 | C | S | . | . | | | trans | -107.5 | 110.2 | 167.4 | -178.9 | 67.8 | 0 | 0 | 0 | 107.9 | L246 T259 I274 | L246-L272 HydrophobicContact CD1-CD1 4.22Å; L246-L272 HydrophobicContact CD2-CD1 4.35Å; L246-L272 HydrophobicContact CD2-CD2 4.48Å; T259-L272 HydrophobicContact CG2-CD1 4.31Å; L272-I274 HydrophobicContact CD2-CD1 3.74Å; L272-I274 HydrophobicContact CD2-CG1 4.08Å; L272-I274 HydrophobicContact CG-CD1 4.16Å; L272-I274 HydrophobicContact CG-CG1 3.95Å |
| 273 | T | 37.1 | Very low | 32 | Very low | 71 Ų | 71 | 93.5 Ų | 93.5 | 44% | 0.436 | 53% | 0.528 | S | S | . | . | | | trans | -95.3 | 107.3 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | V237 T259 | V237-T273 HydrophobicContact CG1-CG2 4.41Å; T259-T273 WeakPolarHBondContact CG2-O 3.4Å |
| 274 | I | 40.1 | Very low | 32.5 | Very low | 38 Ų | 38 | 92.6 Ų | 92.6 | 20% | 0.195 | 52% | 0.515 | C | S | . | . | | | trans | -101.1 | 123.1 | 174 | -59.3 | 166.5 | 0 | 0 | 0 | 107.7 | D236 L272 V276 I284 | D236-I274 VanDerWaalsContact O-O 3.11Å; L272-I274 HydrophobicContact CD2-CD1 3.74Å; L272-I274 HydrophobicContact CD2-CG1 4.08Å; L272-I274 HydrophobicContact CG-CD1 4.16Å; L272-I274 HydrophobicContact CG-CG1 3.95Å; I274-V276 HydrophobicContact CG2-CG2 3.83Å; I274-I284 HydrophobicContact CB-CD1 4.46Å; I274-I284 HydrophobicContact CD1-CB 4.33Å; I274-I284 HydrophobicContact CD1-CD1 3.79Å; I274-I284 HydrophobicContact CD1-CG1 3.93Å; I274-I284 HydrophobicContact CD1-CG2 3.44Å; I274-I284 VanDerWaalsContact CD1-CG2 3.44Å |
| 275 | K | 36.5 | Very low | 32.8 | Very low | 141 Ų | 141 | 92 Ų | 92 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 109.7 | 171.6 | -66.4 | -174.3 | 171.2 | -178.7 | 0 | 108.7 | I235 | I235-K275 HydrophobicContact CD1-CD 4.19Å; I235-K275 HydrophobicContact CG2-CB 3.79Å; I235-K275 HydrophobicContact CG2-CG 3.84Å |
| 276 | V | 35.7 | Very low | 33.1 | Very low | 5 Ų | 5 | 86.5 Ų | 86.5 | 3% | 0.03 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.8 | 175.4 | 178.4 | 0 | 0 | 0 | 0 | 109 | Y238 I274 A278 V282 | Y238-V276 HydrophobicContact CE2-CG2 4.3Å; I274-V276 HydrophobicContact CG2-CG2 3.83Å; V276-A278 PolarHBondContact O-N 3.16Å; V276-V282 HydrophobicContact CB-CG2 4.4Å; V276-V282 HydrophobicContact CG1-CB 3.94Å; V276-V282 HydrophobicContact CG1-CG2 3.4Å; V276-V282 HydrophobicContact CG2-CB 4.1Å; V276-V282 HydrophobicContact CG2-CG1 4.15Å; V276-V282 HydrophobicContact CG2-CG2 4.15Å |
| 277 | P | 32 | Very low | 33.3 | Very low | 61 Ų | 61 | 85.8 Ų | 85.8 | 40% | 0.396 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 131.5 | 172.2 | -16.8 | 28.6 | 0 | 0 | 0 | 110.3 | A279 S280 | P277-A279 PolarHBondContact O-N 2.95Å; P277-S280 WeakPolarHBondContact O-CB 3.36Å; P277-S280 PolarHBondContact O-N 3.06Å; P277-S280 VanDerWaalsContact O-N 3.11Å; P277-S280 PolarHBondContact O-OG 3.12Å |
| 278 | A | 27 | Very low | 33.2 | Very low | 67 Ų | 67 | 81.5 Ų | 81.5 | 55% | 0.554 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 135.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G234 V276 | G234-A278 WeakPolarHBondContact O-CB 3.47Å; G234-A278 PolarHBondContact O-N 3.06Å; G234-A278 VanDerWaalsContact O-N 3.16Å; V276-A278 PolarHBondContact O-N 3.16Å |
| 279 | A | 26.2 | Very low | 33.2 | Very low | 114 Ų | 114 | 79.3 Ų | 79.3 | 94% | 0.942 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 11.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | P277 | P277-A279 PolarHBondContact O-N 2.95Š|
| 280 | S | 30.2 | Very low | 33 | Very low | 56 Ų | 56 | 88 Ų | 88 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | | | trans | -100.7 | 122 | 173.2 | -47.8 | 0 | 0 | 0 | 0 | 111.3 | P277 V282 | P277-S280 WeakPolarHBondContact O-CB 3.36Å; P277-S280 PolarHBondContact O-N 3.06Å; P277-S280 VanDerWaalsContact O-N 3.11Å; P277-S280 PolarHBondContact O-OG 3.12Å; S280-V282 VanDerWaalsContact C-N 3.32Å; S280-V282 PolarHBondContact O-N 3.39Å |
| 281 | D | 33.4 | Very low | 32.8 | Very low | 181 Ų | 181 | 94.1 Ų | 94.1 | 97% | 0.968 | 50% | 0.498 | S | S | * | . | | | trans | -71.4 | 90.9 | 162 | -75.9 | -32.5 | 0 | 0 | 0 | 108 | | |
| 282 | V | 34.5 | Very low | 32.8 | Very low | 72 Ų | 72 | 95.2 Ų | 95.2 | 44% | 0.436 | 51% | 0.507 | S | S | . | . | | | trans | -104.4 | 119.7 | 177.3 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | V276 S280 I284 | V276-V282 HydrophobicContact CB-CG2 4.4Å; V276-V282 HydrophobicContact CG1-CB 3.94Å; V276-V282 HydrophobicContact CG1-CG2 3.4Å; V276-V282 HydrophobicContact CG2-CB 4.1Å; V276-V282 HydrophobicContact CG2-CG1 4.15Å; V276-V282 HydrophobicContact CG2-CG2 4.15Å; S280-V282 VanDerWaalsContact C-N 3.32Å; S280-V282 PolarHBondContact O-N 3.39Å; V282-I284 HydrophobicContact CG1-CG1 4.07Å |
| 283 | E | 35.2 | Very low | 32.6 | Very low | 158 Ų | 158 | 98.5 Ų | 98.5 | 74% | 0.738 | 53% | 0.525 | S | S | * | . | | | trans | -87.6 | 117.7 | 164.4 | -170.1 | 176.5 | -172.2 | 0 | 0 | 109 | I285 | E283-I285 HydrophobicContact CG-CG1 3.96Š|
| 284 | I | 38.6 | Very low | 32.3 | Very low | 34 Ų | 34 | 100.1 Ų | 100.1 | 17% | 0.174 | 53% | 0.53 | C | S | . | . | | | trans | -93.8 | 104.9 | 174.5 | -60.3 | 168.6 | 0 | 0 | 0 | 107.8 | I222 Y238 I274 V282 V286 | I222-I284 HydrophobicContact CD1-CB 4.35Å; I222-I284 HydrophobicContact CD1-CG2 4.37Å; Y238-I284 HydrophobicContact CD1-CD1 4.28Å; Y238-I284 HydrophobicContact CD2-CD1 3.49Å; Y238-I284 VanDerWaalsContact CD2-CD1 3.49Å; Y238-I284 HydrophobicContact CE2-CD1 3.87Å; Y238-I284 HydrophobicContact CG-CD1 3.73Å; I274-I284 HydrophobicContact CB-CD1 4.46Å; I274-I284 HydrophobicContact CD1-CB 4.33Å; I274-I284 HydrophobicContact CD1-CD1 3.79Å; I274-I284 HydrophobicContact CD1-CG1 3.93Å; I274-I284 HydrophobicContact CD1-CG2 3.44Å; I274-I284 VanDerWaalsContact CD1-CG2 3.44Å; V282-I284 HydrophobicContact CG1-CG1 4.07Å; I284-V286 HydrophobicContact CG2-CG2 4.04Å |
| 285 | I | 34 | Very low | 31.9 | Very low | 102 Ų | 102 | 103.7 Ų | 103.7 | 52% | 0.523 | 55% | 0.55 | S | S | . | . | | | trans | -95 | 106.5 | 175.4 | -54.8 | 176.8 | 0 | 0 | 0 | 108.6 | E283 K287 | E283-I285 HydrophobicContact CG-CG1 3.96Å; I285-K287 HydrophobicContact CG2-CG 4.27Å |
| 286 | V | 35.7 | Very low | 31.6 | Very low | 51 Ų | 51 | 101.4 Ų | 101.4 | 31% | 0.309 | 55% | 0.546 | S | S | . | . | | | trans | -92.1 | 100.7 | 171.2 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | V240 W244 I284 G288 | V240-V286 HydrophobicContact CG2-CG2 4.45Å; W244-V286 HydrophobicContact CD2-CG1 4.01Å; W244-V286 HydrophobicContact CE3-CG1 3.67Å; W244-V286 HydrophobicContact CG-CG1 4.48Å; W244-V286 HydrophobicContact CZ3-CG1 4.07Å; I284-V286 HydrophobicContact CG2-CG2 4.04Å; V286-G288 PolarHBondContact O-N 3.32Å |
| 287 | K | 31.4 | Very low | 31.3 | Very low | 133 Ų | 133 | 107.8 Ų | 107.8 | 58% | 0.578 | 58% | 0.58 | S | S | * | * | | | trans | -82.4 | 110.6 | 168.7 | -77.2 | -173.1 | -176.2 | 178.2 | 0 | 109.7 | E249 I285 G289 | E249-K287 IonicContact OE2-NZ 3.82Å; E249-K287 PolarHBondContact OE2-NZ 3.02Å; I285-K287 HydrophobicContact CG2-CG 4.27Å; K287-G289 PolarHBondContact O-N 2.97Å |
| 288 | G | 29.3 | Very low | 31.3 | Very low | 49 Ų | 49 | 111.1 Ų | 111.1 | 51% | 0.505 | 59% | 0.593 | S | S | . | * | B | Isolated β-bridge | trans | -77.3 | 112.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V286 | V286-G288 PolarHBondContact O-N 3.32Å |
| 289 | G | 26.5 | Very low | 31.6 | Very low | 23 Ų | 23 | 114.5 Ų | 114.5 | 24% | 0.237 | 60% | 0.596 | C | S | . | * | | | trans | -86 | 127.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111 | T245 K287 | T245-G289 WeakPolarHBondContact CB-O 3.47Å; T245-G289 PolarHBondContact OG1-O 2.96Å; K287-G289 PolarHBondContact O-N 2.97Å |
| 290 | R | 26.8 | Very low | 32 | Very low | 227 Ų | 227 | 114.6 Ų | 114.6 | 86% | 0.857 | 57% | 0.567 | S | S | * | * | | | trans | -63.7 | 140.7 | 165 | -77.2 | -176.2 | 175.1 | 179.1 | -1.5 | 109.4 | | |
| 291 | R | 28.7 | Very low | 32.2 | Very low | 289 Ų | 289 | 119.9 Ų | 119.9 | 100% | 1.091 | 58% | 0.583 | S | S | * | * | | | trans | -63.3 | 0 | 168.2 | -77.2 | -175.6 | 172.9 | -178.5 | -2.2 | 110.7 | | |