| 1 | M | 25.8 | Very low | 26.8 | Very low | 155 Ų | 155 | 111.4 Ų | 111.4 | 76% | 0.764 | 54% | 0.54 | S | S | * | . | | | | 0 | 99.8 | 0 | -81.1 | -172.9 | 165.1 | 0 | 0 | 111 | D50 | M1-D50 HydrophobicContact CE-CB 3.81Å; M1-D50 WeakPolarHBondContact CE-OD2 3.45Å; M1-D50 VanDerWaalsContact CG-CG 3.46Å; M1-D50 WeakPolarHBondContact CG-OD1 2.98Å; M1-D50 VanDerWaalsContact CG-OD2 3.25Å; M1-D50 WeakPolarHBondContact CG-OD2 3.21Å |
| 2 | Q | 22.8 | Very low | 26.8 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 54% | 0.537 | 56% | 0.56 | S | S | . | * | | | trans | -88.7 | 162.4 | 161.1 | -85.2 | 167.5 | -16.9 | 0 | 0 | 108.2 | I49 S144 | Q2-I49 HydrophobicContact CB-CD1 3.72Å; Q2-I49 VanDerWaalsContact O-CB 3.29Å; Q2-I49 WeakPolarHBondContact O-CB 3.47Å; Q2-I49 WeakPolarHBondContact O-CD1 3.3Å; Q2-I49 WeakPolarHBondContact O-CG1 3.36Å; Q2-S144 PolarHBondContact NE2-OG 3.14Å |
| 3 | T | 25.2 | Very low | 26.9 | Very low | 72 Ų | 72 | 124.9 Ų | 124.9 | 44% | 0.442 | 58% | 0.581 | S | S | . | * | | | trans | -125.4 | 127.7 | 177.7 | -45.2 | 0 | 0 | 0 | 0 | 107 | Y5 | T3-Y5 HydrophobicContact CG2-CE1 4.19Å; T3-Y5 HydrophobicContact CG2-CE2 4.41Å |
| 4 | C | 25.7 | Very low | 26.8 | Very low | 51 Ų | 51 | 128.7 Ų | 128.7 | 35% | 0.345 | 59% | 0.588 | S | S | . | * | | | trans | -104.4 | 137.9 | 175.8 | -71.2 | 0 | 0 | 0 | 0 | 109.1 | I49 M139 | C4-I49 HydrophobicContact CB-CD1 4.35Å; C4-I49 VanDerWaalsContact SG-CD1 3.55Å; C4-M139 HydrophobicContact CB-CE 3.88Å; C4-M139 HydrophobicContact CB-SD 4.46Å |
| 5 | Y | 27.8 | Very low | 26.8 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 38% | 0.376 | 60% | 0.599 | S | S | . | * | | | trans | -117.1 | 121.5 | -179.9 | -58 | -82.2 | 0 | 0 | 0 | 109.5 | T3 Y7 M139 | T3-Y5 HydrophobicContact CG2-CE1 4.19Å; T3-Y5 HydrophobicContact CG2-CE2 4.41Å; Y5-Y7 HydrophobicContact CG-CE2 4.2Å; Y5-M139 VanDerWaalsContact O-SD 3.38Å |
| 6 | C | 28.5 | Very low | 26.8 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 73% | 0.73 | 61% | 0.608 | S | S | * | * | | | trans | -101.7 | 123.2 | 169.1 | -66.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 7 | Y | 28.6 | Very low | 27 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 40% | 0.404 | 62% | 0.617 | S | S | . | * | | | trans | -114.6 | 139.2 | 176.4 | -61.5 | -80.3 | 0 | 0 | 0 | 109.7 | Y5 A42 I137 | Y5-Y7 HydrophobicContact CG-CE2 4.2Å; Y7-A42 HydrophobicContact CD1-CB 3.76Å; Y7-A42 HydrophobicContact CE1-CB 4.12Å; Y7-I137 WeakPolarHBondContact O-CD1 3.44Å |
| 8 | K | 31 | Very low | 27.1 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 50% | 0.496 | 63% | 0.629 | S | S | . | * | | | trans | -104.4 | 110.1 | 165 | -173.4 | 173.6 | -177.4 | 173.1 | 0 | 108.2 | L89 | K8-L89 HydrophobicContact CB-CD2 4.49Š|
| 9 | L | 26.3 | Very low | 27.3 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | | | trans | -91.3 | 106.5 | 177.6 | -140.9 | 121.7 | 0 | 0 | 0 | 108.9 | R11 | L9-R11 HydrophobicContact CD2-CG 3.99Å; L9-R11 PolarHBondContact O-N 3.49Å |
| 10 | L | 28.1 | Very low | 27.6 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 38% | 0.382 | 64% | 0.638 | S | S | . | * | | | trans | -84.4 | 95.1 | 172.4 | -93.8 | 136.6 | 0 | 0 | 0 | 109.1 | R12 I87 Y118 | L10-R12 PolarHBondContact O-N 3.25Å; L10-I87 HydrophobicContact CD1-CG2 4.12Å; L10-Y118 HydrophobicContact CD2-CE1 4.03Å |
| 11 | R | 25.2 | Very low | 27.8 | Very low | 209 Ų | 209 | 129.3 Ų | 129.3 | 79% | 0.789 | 65% | 0.645 | S | S | * | * | | | trans | -79.5 | 110.9 | 162.7 | -75.8 | -168.9 | 178.3 | -176.9 | -0.1 | 108.6 | L9 K13 | L9-R11 HydrophobicContact CD2-CG 3.99Å; L9-R11 PolarHBondContact O-N 3.49Å; R11-K13 PolarHBondContact O-N 3.48Å |
| 12 | R | 26.3 | Very low | 28.1 | Very low | 207 Ų | 207 | 128.4 Ų | 128.4 | 78% | 0.781 | 64% | 0.644 | S | S | * | * | | | trans | -69.2 | 107.5 | 163.8 | -85.5 | -178.2 | 171.8 | 169.3 | -3.4 | 108.1 | L10 W14 | L10-R12 PolarHBondContact O-N 3.25Å; R12-W14 PolarHBondContact O-N 3.06Å |
| 13 | K | 28.7 | Very low | 28.5 | Very low | 192 Ų | 192 | 129.9 Ų | 129.9 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | | | trans | -67.4 | 116 | 157.4 | -84.3 | -173.7 | 175.1 | 178 | 0 | 107.4 | R11 S15 | R11-K13 PolarHBondContact O-N 3.48Å; K13-S15 PolarHBondContact O-N 3.2Å |
| 14 | W | 25 | Very low | 28.9 | Very low | 178 Ų | 178 | 135 Ų | 135 | 67% | 0.674 | 67% | 0.669 | S | S | * | * | | | trans | -70.1 | 98.3 | 163.9 | -83.4 | 30.3 | 0 | 0 | 0 | 107.7 | R12 Y16 | R12-W14 PolarHBondContact O-N 3.06Å; W14-Y16 AromaticContact CE3-CE2 3.65Å; W14-Y16 HydrophobicContact CE3-CE2 3.65Å; W14-Y16 AromaticContact CE3-CZ 3.84Å; W14-Y16 HydrophobicContact CZ3-CE2 4.29Å; W14-Y16 WeakPolarHBondContact CZ3-OH 3.29Å; W14-Y16 PolarHBondContact O-N 3.33Å; W14-Y16 VanDerWaalsContact O-N 3.16Å |
| 15 | S | 27.8 | Very low | 29.1 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | | | trans | -75.5 | 93.9 | 162.9 | -48.3 | 0 | 0 | 0 | 0 | 107.2 | K13 S17 | K13-S15 PolarHBondContact O-N 3.2Å; S15-S17 VanDerWaalsContact C-N 3.32Å; S15-S17 PolarHBondContact O-N 3.16Å |
| 16 | Y | 26.3 | Very low | 29.5 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | | | trans | -63.2 | 99.4 | 160 | -85.1 | -86 | 0 | 0 | 0 | 107 | W14 S18 | W14-Y16 AromaticContact CE3-CE2 3.65Å; W14-Y16 HydrophobicContact CE3-CE2 3.65Å; W14-Y16 AromaticContact CE3-CZ 3.84Å; W14-Y16 HydrophobicContact CZ3-CE2 4.29Å; W14-Y16 WeakPolarHBondContact CZ3-OH 3.29Å; W14-Y16 PolarHBondContact O-N 3.33Å; W14-Y16 VanDerWaalsContact O-N 3.16Å; Y16-S18 PolarHBondContact O-N 3.46Å |
| 17 | S | 29.9 | Very low | 29.7 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | | | trans | -74.9 | 106.4 | 161.9 | 71.5 | 0 | 0 | 0 | 0 | 106.7 | S15 S19 | S15-S17 VanDerWaalsContact C-N 3.32Å; S15-S17 PolarHBondContact O-N 3.16Å; S17-S19 PolarHBondContact O-N 3.12Å |
| 18 | S | 29.2 | Very low | 29.7 | Very low | 117 Ų | 117 | 153 Ų | 153 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | -68 | 81 | 164.8 | 55.3 | 0 | 0 | 0 | 0 | 107.6 | Y16 S20 | Y16-S18 PolarHBondContact O-N 3.46Å; S18-S20 PolarHBondContact O-N 2.95Å |
| 19 | S | 31.3 | Very low | 29.7 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | | | trans | -71.8 | 102.8 | 166.8 | 78.4 | 0 | 0 | 0 | 0 | 107.3 | S17 K21 | S17-S19 PolarHBondContact O-N 3.12Å; S19-K21 PolarHBondContact O-N 3.12Å |
| 20 | S | 32.5 | Very low | 30.1 | Very low | 99 Ų | 99 | 152.1 Ų | 152.1 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -45.2 | 133.7 | 168.1 | 51.1 | 0 | 0 | 0 | 0 | 112 | S18 | S18-S20 PolarHBondContact O-N 2.95Š|
| 21 | K | 32.4 | Very low | 30.3 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | | | trans | 73.2 | 120.4 | 146.1 | -72.8 | 179.7 | 174.9 | 178.8 | 0 | 117.9 | S19 | S19-K21 PolarHBondContact O-N 3.12Š|
| 22 | D | 31 | Very low | 30.6 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | 92.1 | 116 | 136.9 | -66.4 | -22.1 | 0 | 0 | 0 | 118 | | |
| 23 | M | 30.9 | Very low | 30.8 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | trans | 74.8 | 97.8 | 144.7 | -59 | 176.7 | 81.5 | 0 | 0 | 115.2 | | |
| 24 | F | 33.6 | Very low | 30.7 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | | 178.8 | 119.5 | 91.8 | -94.9 | -79.4 | 0 | 0 | 0 | 107.9 | T26 | F24-T26 PolarHBondContact O-N 2.97Å; F24-T26 VanDerWaalsContact O-N 3.12Å |
| 25 | E | 31.6 | Very low | 30.7 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | trans | -59.2 | 105.5 | 164.4 | -68.3 | 176.8 | 138.1 | 0 | 0 | 109 | | |
| 26 | T | 35.3 | Very low | 30.7 | Very low | 112 Ų | 112 | 146 Ų | 146 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | | | trans | -147.1 | 109.7 | 154.9 | -38.3 | 0 | 0 | 0 | 0 | 110.1 | F24 | F24-T26 PolarHBondContact O-N 2.97Å; F24-T26 VanDerWaalsContact O-N 3.12Å |
| 27 | E | 32.7 | Very low | 30.6 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 59.2 | 99.1 | 150.7 | -64.8 | -173.9 | 150.6 | 0 | 0 | 118.9 | N29 | E27-N29 PolarHBondContact O-N 3.39Š|
| 28 | R | 28.4 | Very low | 30.3 | Very low | 246 Ų | 246 | 148.7 Ų | 148.7 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | | | trans | 1.4 | 111.9 | 138.2 | -72 | 178.5 | -176.9 | 171 | 1.5 | 114.8 | | |
| 29 | N | 31.5 | Very low | 30.1 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | | | trans | -130.7 | 99.4 | 146.2 | -147.8 | -12.6 | 0 | 0 | 0 | 109.1 | E27 D31 | E27-N29 PolarHBondContact O-N 3.39Å; N29-D31 PolarHBondContact O-N 3.31Å; N29-D31 VanDerWaalsContact O-N 3.15Å |
| 30 | P | 34.2 | Very low | 29.8 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -70.4 | 2.2 | -178.8 | 26.7 | -30.8 | 0 | 0 | 0 | 114.4 | K32 | P30-K32 VanDerWaalsContact C-N 3.29Å; P30-K32 PolarHBondContact O-N 3.28Å |
| 31 | D | 32.1 | Very low | 29.5 | Very low | 138 Ų | 138 | 149 Ų | 149 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -81.7 | 12.2 | -175.4 | -77.1 | -19.6 | 0 | 0 | 0 | 116.1 | N29 | N29-D31 PolarHBondContact O-N 3.31Å; N29-D31 VanDerWaalsContact O-N 3.15Å |
| 32 | K | 32.8 | Very low | 29.2 | Very low | 202 Ų | 202 | 143.4 Ų | 143.4 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -102.2 | 8.8 | 175.2 | -71 | -172.2 | 178.5 | 178.9 | 0 | 114.7 | P30 | P30-K32 VanDerWaalsContact C-N 3.29Å; P30-K32 PolarHBondContact O-N 3.28Å |
| 33 | A | 29.7 | Very low | 28.9 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -96.4 | 7.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 34 | N | 27 | Very low | 28.8 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -125.4 | 36.6 | -174.5 | -104.8 | -7.4 | 0 | 0 | 0 | 114.3 | Q36 | N34-Q36 PolarHBondContact O-N 3.39Š|
| 35 | A | 25.7 | Very low | 28.5 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | | | trans | -76.8 | 67.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | E37 | A35-E37 PolarHBondContact O-N 3.22Å; A35-E37 VanDerWaalsContact O-N 3.15Å |
| 36 | Q | 26 | Very low | 28.2 | Very low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | | | trans | -60.6 | 116.6 | 164.8 | -155.3 | 175.4 | 21.2 | 0 | 0 | 106.5 | N34 Q38 | N34-Q36 PolarHBondContact O-N 3.39Å; Q36-Q38 VanDerWaalsContact C-N 3.32Å; Q36-Q38 PolarHBondContact O-N 3.15Å |
| 37 | E | 24.7 | Very low | 27.8 | Very low | 181 Ų | 181 | 130.5 Ų | 130.5 | 85% | 0.846 | 70% | 0.703 | S | S | * | * | | | trans | -57.3 | 90.5 | -179.4 | -166 | 175.3 | -164 | 0 | 0 | 109.5 | A35 V39 | A35-E37 PolarHBondContact O-N 3.22Å; A35-E37 VanDerWaalsContact O-N 3.15Å; E37-V39 PolarHBondContact O-N 3.15Å; E37-V39 VanDerWaalsContact O-N 3.11Å |
| 38 | Q | 24.7 | Very low | 27.4 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | | | trans | -72.2 | 103.4 | 167.4 | -86.7 | -171.5 | 6.2 | 0 | 0 | 107.4 | Q36 I40 | Q36-Q38 VanDerWaalsContact C-N 3.32Å; Q36-Q38 PolarHBondContact O-N 3.15Å; Q38-I40 VanDerWaalsContact O-CG1 3.29Å; Q38-I40 WeakPolarHBondContact O-CG1 3.48Å; Q38-I40 PolarHBondContact O-N 2.9Å |
| 39 | V | 25 | Very low | 27.3 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 78% | 0.782 | 66% | 0.661 | S | S | * | * | | | trans | -57.3 | 106.7 | 166.8 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | E37 | E37-V39 PolarHBondContact O-N 3.15Å; E37-V39 VanDerWaalsContact O-N 3.11Å |
| 40 | I | 24.5 | Very low | 27 | Very low | 87 Ų | 87 | 119 Ų | 119 | 45% | 0.446 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 123.4 | -179.8 | -51.4 | -172.1 | 0 | 0 | 0 | 107.6 | Q38 A42 G85 | Q38-I40 VanDerWaalsContact O-CG1 3.29Å; Q38-I40 WeakPolarHBondContact O-CG1 3.48Å; Q38-I40 PolarHBondContact O-N 2.9Å; I40-A42 PolarHBondContact O-N 2.79Å; I40-G85 WeakPolarHBondContact CD1-O 2.96Å |
| 41 | P | 26.9 | Very low | 26.8 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 75% | 0.747 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 123.2 | 178.5 | -17.4 | 28.4 | 0 | 0 | 0 | 109.9 | A43 | P41-A43 PolarHBondContact O-N 3.11Š|
| 42 | A | 25.9 | Very low | 26.7 | Very low | 63 Ų | 63 | 116.3 Ų | 116.3 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 120 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y7 I40 K44 | Y7-A42 HydrophobicContact CD1-CB 3.76Å; Y7-A42 HydrophobicContact CE1-CB 4.12Å; I40-A42 PolarHBondContact O-N 2.79Å; A42-K44 PolarHBondContact O-N 3.02Å |
| 43 | A | 25 | Very low | 26.4 | Very low | 80 Ų | 80 | 113.5 Ų | 113.5 | 66% | 0.661 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 125.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P41 | P41-A43 PolarHBondContact O-N 3.11Š|
| 44 | K | 26.8 | Very low | 26.2 | Very low | 145 Ų | 145 | 116.2 Ų | 116.2 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 125.3 | -178.8 | -67.3 | 176.6 | 178.8 | 177.2 | 0 | 110.5 | A42 | A42-K44 PolarHBondContact O-N 3.02Š|
| 45 | I | 27.3 | Very low | 26.2 | Very low | 109 Ų | 109 | 112.4 Ų | 112.4 | 56% | 0.559 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 125.8 | 164.7 | -59.7 | 175.8 | 0 | 0 | 0 | 107.2 | L89 | I45-L89 HydrophobicContact CD1-CD1 4.21Š|
| 46 | L | 25.5 | Very low | 26.1 | Very low | 130 Ų | 130 | 113.6 Ų | 113.6 | 68% | 0.681 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 124.3 | -174.3 | -73.3 | 160.1 | 0 | 0 | 0 | 110.4 | | |
| 47 | A | 27.6 | Very low | 26 | Very low | 38 Ų | 38 | 111.1 Ų | 111.1 | 31% | 0.314 | 60% | 0.598 | S | S | . | * | | | trans | -126 | 139.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 48 | R | 23.9 | Very low | 26.1 | Very low | 182 Ų | 182 | 107.3 Ų | 107.3 | 69% | 0.687 | 58% | 0.582 | S | S | * | * | | | trans | -89 | 135.8 | -176.5 | -65.9 | -176.2 | -174.1 | -175.1 | 3.4 | 110.6 | D50 E51 F52 | R48-D50 VanDerWaalsContact C-N 3.29Å; R48-D50 PolarHBondContact O-N 3.13Å; R48-E51 PolarHBondContact O-N 3.35Å; R48-F52 WeakPolarHBondContact O-CD2 3.42Å |
| 49 | I | 27.7 | Very low | 25.9 | Very low | 38 Ų | 38 | 104 Ų | 104 | 20% | 0.195 | 57% | 0.574 | C | S | . | * | G | 310 helix | trans | -70 | -21.3 | -178.2 | -67.6 | -170.6 | 0 | 0 | 0 | 113.4 | Q2 C4 E51 F52 | Q2-I49 HydrophobicContact CB-CD1 3.72Å; Q2-I49 VanDerWaalsContact O-CB 3.29Å; Q2-I49 WeakPolarHBondContact O-CB 3.47Å; Q2-I49 WeakPolarHBondContact O-CD1 3.3Å; Q2-I49 WeakPolarHBondContact O-CG1 3.36Å; C4-I49 HydrophobicContact CB-CD1 4.35Å; C4-I49 VanDerWaalsContact SG-CD1 3.55Å; I49-E51 PolarHBondContact O-N 3.01Å; I49-E51 VanDerWaalsContact O-N 3.13Å; I49-F52 WeakPolarHBondContact O-CB 3.04Å; I49-F52 PolarHBondContact O-N 2.96Å |
| 50 | D | 24.7 | Very low | 25.8 | Very low | 84 Ų | 84 | 104.1 Ų | 104.1 | 45% | 0.449 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -72.8 | -4.9 | -179.8 | -70.7 | 15.4 | 0 | 0 | 0 | 113.3 | M1 R48 | M1-D50 HydrophobicContact CE-CB 3.81Å; M1-D50 WeakPolarHBondContact CE-OD2 3.45Å; M1-D50 VanDerWaalsContact CG-CG 3.46Å; M1-D50 WeakPolarHBondContact CG-OD1 2.98Å; M1-D50 VanDerWaalsContact CG-OD2 3.25Å; M1-D50 WeakPolarHBondContact CG-OD2 3.21Å; R48-D50 VanDerWaalsContact C-N 3.29Å; R48-D50 PolarHBondContact O-N 3.13Å |
| 51 | E | 28.6 | Very low | 25.6 | Very low | 111 Ų | 111 | 103.6 Ų | 103.6 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -86.7 | -9.5 | 167.2 | -68.4 | 175.2 | -176.6 | 0 | 0 | 112.7 | R48 I49 | R48-E51 PolarHBondContact O-N 3.35Å; I49-E51 PolarHBondContact O-N 3.01Å; I49-E51 VanDerWaalsContact O-N 3.13Å |
| 52 | F | 30.1 | Very low | 25.5 | Very low | 76 Ų | 76 | 106.8 Ų | 106.8 | 33% | 0.333 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.9 | -18.7 | -176.9 | -72 | -101.4 | 0 | 0 | 0 | 113.9 | R48 I49 L54 L55 V96 | R48-F52 WeakPolarHBondContact O-CD2 3.42Å; I49-F52 WeakPolarHBondContact O-CB 3.04Å; I49-F52 PolarHBondContact O-N 2.96Å; F52-L54 PolarHBondContact O-N 2.83Å; F52-L55 HydrophobicContact CB-CD1 4.3Å; F52-L55 HydrophobicContact CD1-CD1 3.63Å; F52-L55 HydrophobicContact CE1-CD1 4.36Å; F52-L55 HydrophobicContact CG-CD1 4.27Å; F52-L55 WeakPolarHBondContact O-CB 3.47Å; F52-L55 PolarHBondContact O-N 3.11Å; F52-L55 VanDerWaalsContact O-N 3.15Å; F52-V96 HydrophobicContact CE1-CG1 4.38Å |
| 53 | D | 26.6 | Very low | 25.2 | Very low | 143 Ų | 143 | 110 Ų | 110 | 77% | 0.765 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -9.3 | 176 | -76.9 | -24.7 | 0 | 0 | 0 | 112.9 | | |
| 54 | L | 26.9 | Very low | 25.1 | Very low | 146 Ų | 146 | 112.1 Ų | 112.1 | 76% | 0.764 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -5.1 | 168.3 | -92.1 | 147.3 | 0 | 0 | 0 | 113.3 | F52 T56 | F52-L54 PolarHBondContact O-N 2.83Å; L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.12Å |
| 55 | L | 26.4 | Very low | 24.9 | Very low | 73 Ų | 73 | 109.4 Ų | 109.4 | 38% | 0.382 | 60% | 0.597 | S | S | . | * | | | trans | -79.1 | 88.1 | 173.5 | -64.7 | 170.8 | 0 | 0 | 0 | 108.6 | F52 F68 | F52-L55 HydrophobicContact CB-CD1 4.3Å; F52-L55 HydrophobicContact CD1-CD1 3.63Å; F52-L55 HydrophobicContact CE1-CD1 4.36Å; F52-L55 HydrophobicContact CG-CD1 4.27Å; F52-L55 WeakPolarHBondContact O-CB 3.47Å; F52-L55 PolarHBondContact O-N 3.11Å; F52-L55 VanDerWaalsContact O-N 3.15Å; L55-F68 HydrophobicContact CD2-CE2 3.9Å |
| 56 | T | 24.6 | Very low | 24.7 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 66% | 0.656 | 60% | 0.6 | S | S | * | * | | | trans | -47.5 | 128.5 | 169.1 | -3.2 | 0 | 0 | 0 | 0 | 108.9 | L54 L58 | L54-T56 VanDerWaalsContact C-N 3.33Å; L54-T56 PolarHBondContact O-N 3.12Å; T56-L58 VanDerWaalsContact C-N 3.28Å; T56-L58 PolarHBondContact O-N 3.49Å |
| 57 | P | 23.3 | Very low | 24.7 | Very low | 123 Ų | 123 | 106.6 Ų | 106.6 | 80% | 0.799 | 59% | 0.594 | S | S | * | * | | | trans | -66.3 | 94 | 172.8 | 26.5 | -30.6 | 0 | 0 | 0 | 107.4 | T59 | P57-T59 PolarHBondContact O-N 3.04Å; P57-T59 VanDerWaalsContact O-N 3.13Å |
| 58 | L | 25.4 | Very low | 24.6 | Very low | 101 Ų | 101 | 110.7 Ų | 110.7 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | | | trans | -74.9 | 107.7 | 176.7 | -73.8 | 166 | 0 | 0 | 0 | 107.4 | T56 T65 | T56-L58 VanDerWaalsContact C-N 3.28Å; T56-L58 PolarHBondContact O-N 3.49Å; L58-T65 HydrophobicContact CD1-CG2 3.83Å |
| 59 | T | 22.2 | Very low | 24.7 | Very low | 103 Ų | 103 | 106.3 Ų | 106.3 | 63% | 0.632 | 60% | 0.598 | S | S | * | * | | | trans | -32.1 | 144 | 149.7 | 7.4 | 0 | 0 | 0 | 0 | 109.8 | P57 T61 | P57-T59 PolarHBondContact O-N 3.04Å; P57-T59 VanDerWaalsContact O-N 3.13Å; T59-T61 PolarHBondContact O-N 2.87Å; T59-T61 PolarHBondContact O-OG1 3.22Å |
| 60 | P | 22 | Very low | 24.6 | Very low | 132 Ų | 132 | 109.7 Ų | 109.7 | 86% | 0.857 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -67.8 | 85.6 | -174 | 29.5 | -33.3 | 0 | 0 | 0 | 109.5 | | |
| 61 | T | 21.2 | Very low | 24.5 | Very low | 76 Ų | 76 | 111.2 Ų | 111.2 | 47% | 0.466 | 63% | 0.629 | S | S | . | * | | | trans | -134.4 | 92.5 | -179.1 | 40.6 | 0 | 0 | 0 | 0 | 107.8 | T59 I63 | T59-T61 PolarHBondContact O-N 2.87Å; T59-T61 PolarHBondContact O-OG1 3.22Å; T61-I63 PolarHBondContact O-N 2.98Å |
| 62 | I | 22.9 | Very low | 24.4 | Very low | 182 Ų | 182 | 108.1 Ų | 108.1 | 93% | 0.933 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 26.8 | 15.7 | 140.5 | -23.6 | -179.7 | 0 | 0 | 0 | 120.2 | | |
| 63 | I | 21 | Very low | 24.1 | Very low | 131 Ų | 131 | 112.2 Ų | 112.2 | 67% | 0.672 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -131.9 | 131 | -171 | -56.1 | -179 | 0 | 0 | 0 | 107.9 | T61 T65 | T61-I63 PolarHBondContact O-N 2.98Å; I63-T65 PolarHBondContact O-N 3.16Å |
| 64 | P | 22.7 | Very low | 24 | Very low | 124 Ų | 124 | 110.8 Ų | 110.8 | 81% | 0.805 | 65% | 0.649 | S | S | * | * | | | trans | -65.8 | 125.2 | -159.1 | 25 | -33.9 | 0 | 0 | 0 | 112 | | |
| 65 | T | 22.8 | Very low | 23.9 | Very low | 88 Ų | 88 | 108.6 Ų | 108.6 | 54% | 0.54 | 64% | 0.641 | S | S | . | * | | | trans | -71.8 | 131.7 | 178 | -8 | 0 | 0 | 0 | 0 | 109.5 | L58 I63 V67 | L58-T65 HydrophobicContact CD1-CG2 3.83Å; I63-T65 PolarHBondContact O-N 3.16Å; T65-V67 PolarHBondContact O-N 3.07Å |
| 66 | S | 22.5 | Very low | 23.8 | Very low | 90 Ų | 90 | 114.3 Ų | 114.3 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | | | trans | -44.6 | 116.7 | -179.1 | -31.9 | 0 | 0 | 0 | 0 | 112.6 | F68 | S66-F68 PolarHBondContact O-N 3.28Š|
| 67 | V | 24.8 | Very low | 23.8 | Very low | 90 Ų | 90 | 111.2 Ų | 111.2 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | | | trans | -81 | 111.1 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | T65 T69 | T65-V67 PolarHBondContact O-N 3.07Å; V67-T69 PolarHBondContact O-N 3.47Å |
| 68 | F | 25.9 | Very low | 23.9 | Very low | 125 Ų | 125 | 113.3 Ų | 113.3 | 55% | 0.548 | 65% | 0.654 | S | S | . | * | | | trans | -87.2 | 99.8 | 167.3 | -75.9 | -89.6 | 0 | 0 | 0 | 108.9 | L55 S66 L70 | L55-F68 HydrophobicContact CD2-CE2 3.9Å; S66-F68 PolarHBondContact O-N 3.28Å; F68-L70 PolarHBondContact O-N 3.18Å |
| 69 | T | 25.5 | Very low | 23.9 | Very low | 89 Ų | 89 | 117.4 Ų | 117.4 | 55% | 0.546 | 67% | 0.671 | S | S | . | * | | | trans | -84.3 | 107.5 | 173.7 | -44.4 | 0 | 0 | 0 | 0 | 108.3 | V67 T71 | V67-T69 PolarHBondContact O-N 3.47Å; T69-T71 VanDerWaalsContact C-N 3.28Å; T69-T71 HydrophobicContact CG2-CG2 3.97Å; T69-T71 PolarHBondContact O-N 2.97Å |
| 70 | L | 25.7 | Very low | 24 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 58% | 0.576 | 67% | 0.665 | S | S | * | * | | | trans | -73.5 | 86.7 | 167.3 | -85.3 | 161 | 0 | 0 | 0 | 108.6 | F68 G72 P91 | F68-L70 PolarHBondContact O-N 3.18Å; L70-G72 VanDerWaalsContact C-N 3.27Å; L70-G72 PolarHBondContact O-N 3.33Å; L70-P91 WeakPolarHBondContact O-CB 2.91Å |
| 71 | T | 24.3 | Very low | 24.1 | Very low | 116 Ų | 116 | 117.7 Ų | 117.7 | 71% | 0.712 | 66% | 0.66 | S | S | * | * | | | trans | -71.6 | 83.4 | 171.3 | 49.5 | 0 | 0 | 0 | 0 | 109.3 | T69 | T69-T71 VanDerWaalsContact C-N 3.28Å; T69-T71 HydrophobicContact CG2-CG2 3.97Å; T69-T71 PolarHBondContact O-N 2.97Å |
| 72 | G | 24.7 | Very low | 24.2 | Very low | 46 Ų | 46 | 122.7 Ų | 122.7 | 47% | 0.474 | 68% | 0.678 | S | S | . | * | | | trans | -68 | 128 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | L70 V74 | L70-G72 VanDerWaalsContact C-N 3.27Å; L70-G72 PolarHBondContact O-N 3.33Å; G72-V74 PolarHBondContact O-N 3.2Å |
| 73 | N | 24 | Very low | 24.2 | Very low | 161 Ų | 161 | 117 Ų | 117 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | | | trans | -48.1 | 106.5 | 178.6 | -76.1 | -16.2 | 0 | 0 | 0 | 110.8 | V75 | N73-V75 PolarHBondContact O-N 3.2Å; N73-V75 VanDerWaalsContact O-N 3.08Å |
| 74 | V | 26.1 | Very low | 24.4 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | | | trans | -67.2 | 104.8 | 172 | -177.7 | 0 | 0 | 0 | 0 | 106.2 | G72 Q76 | G72-V74 PolarHBondContact O-N 3.2Å; V74-Q76 PolarHBondContact O-N 3.36Å |
| 75 | V | 24.4 | Very low | 24.5 | Very low | 100 Ų | 100 | 113.1 Ų | 113.1 | 61% | 0.606 | 64% | 0.644 | S | S | * | * | | | trans | -70.1 | 90.7 | 168.7 | -177.1 | 0 | 0 | 0 | 0 | 106.9 | N73 G77 Y80 | N73-V75 PolarHBondContact O-N 3.2Å; N73-V75 VanDerWaalsContact O-N 3.08Å; V75-G77 PolarHBondContact O-N 3.07Å; V75-G77 VanDerWaalsContact O-N 3.12Å; V75-Y80 HydrophobicContact CB-CE2 4.48Å; V75-Y80 HydrophobicContact CG1-CE2 3.94Å |
| 76 | Q | 23.8 | Very low | 24.6 | Very low | 192 Ų | 192 | 117 Ų | 117 | 90% | 0.897 | 65% | 0.648 | S | S | * | * | | | trans | -71.4 | 95.9 | 172.2 | -133 | -179.3 | 22.8 | 0 | 0 | 107.3 | V74 | V74-Q76 PolarHBondContact O-N 3.36Š|
| 77 | G | 24.5 | Very low | 24.8 | Very low | 43 Ų | 43 | 117.1 Ų | 117.1 | 44% | 0.443 | 64% | 0.641 | S | S | . | * | | | trans | -164.7 | 127.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | V75 Q79 Y80 | V75-G77 PolarHBondContact O-N 3.07Å; V75-G77 VanDerWaalsContact O-N 3.12Å; G77-Q79 PolarHBondContact O-N 3.01Å; G77-Y80 WeakPolarHBondContact O-CD2 3.18Å |
| 78 | Q | 25.9 | Very low | 24.8 | Very low | 167 Ų | 167 | 116.5 Ų | 116.5 | 78% | 0.78 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 19.9 | -175.8 | -76.5 | 173.6 | -37.2 | 0 | 0 | 116 | | |
| 79 | Q | 24.7 | Very low | 25 | Very low | 187 Ų | 187 | 114.3 Ų | 114.3 | 87% | 0.874 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 8.1 | -170.8 | -81.1 | -178.6 | -18 | 0 | 0 | 115.8 | G77 | G77-Q79 PolarHBondContact O-N 3.01Š|
| 80 | Y | 25.1 | Very low | 25.2 | Very low | 129 Ų | 129 | 115.2 Ų | 115.2 | 51% | 0.506 | 63% | 0.628 | S | S | . | * | | | trans | -106.4 | 42.6 | -166.4 | -75 | -85.7 | 0 | 0 | 0 | 116.1 | V75 G77 | V75-Y80 HydrophobicContact CB-CE2 4.48Å; V75-Y80 HydrophobicContact CG1-CE2 3.94Å; G77-Y80 WeakPolarHBondContact O-CD2 3.18Å |
| 81 | C | 23.7 | Very low | 25.5 | Very low | 111 Ų | 111 | 113.6 Ų | 113.6 | 75% | 0.75 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -113.1 | 2.9 | -178.7 | -82.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 82 | H | 23.6 | Very low | 26 | Very low | 182 Ų | 182 | 111.8 Ų | 111.8 | 84% | 0.843 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -135.2 | 19.7 | -168.6 | -63.8 | -56.6 | 0 | 0 | 0 | 117.8 | | |
| 83 | S | 23.2 | Very low | 26.3 | Very low | 63 Ų | 63 | 111 Ų | 111 | 44% | 0.441 | 60% | 0.602 | S | S | . | * | | | trans | -111.2 | 107.4 | 173.2 | 40.1 | 0 | 0 | 0 | 0 | 112.1 | G85 | S83-G85 PolarHBondContact O-N 3.06Å; S83-G85 VanDerWaalsContact O-N 3.13Å |
| 84 | P | 23.6 | Very low | 27 | Very low | 138 Ų | 138 | 105.1 Ų | 105.1 | 90% | 0.896 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 114.1 | 170.3 | 27.3 | -29.1 | 0 | 0 | 0 | 107.8 | | |
| 85 | G | 25.3 | Very low | 27.5 | Very low | 35 Ų | 35 | 101.3 Ų | 101.3 | 36% | 0.361 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 120.7 | -6.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | I40 S83 I87 | I40-G85 WeakPolarHBondContact CD1-O 2.96Å; S83-G85 PolarHBondContact O-N 3.06Å; S83-G85 VanDerWaalsContact O-N 3.13Å; G85-I87 PolarHBondContact O-N 2.75Å |
| 86 | R | 24.3 | Very low | 28.3 | Very low | 169 Ų | 169 | 99.8 Ų | 99.8 | 64% | 0.638 | 54% | 0.542 | S | S | * | . | | | trans | -84.5 | 105.3 | 171.7 | -77 | -170.3 | 174.8 | -174.5 | -1.8 | 110.8 | T88 | R86-T88 PolarHBondContact O-N 2.95Š|
| 87 | I | 27.6 | Very low | 28.9 | Very low | 93 Ų | 93 | 97.7 Ų | 97.7 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | | | trans | -74.5 | 105 | 169.1 | -59 | 173.4 | 0 | 0 | 0 | 107.7 | L10 G85 L89 | L10-I87 HydrophobicContact CD1-CG2 4.12Å; G85-I87 PolarHBondContact O-N 2.75Å; I87-L89 HydrophobicContact CG2-CD2 4.03Å; I87-L89 HydrophobicContact CG2-CG 4.23Å; I87-L89 PolarHBondContact O-N 3.13Å |
| 88 | T | 25.8 | Very low | 29.5 | Very low | 77 Ų | 77 | 102.6 Ų | 102.6 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | | | trans | -78.4 | 104.9 | 169.5 | -46.9 | 0 | 0 | 0 | 0 | 108.3 | R86 F90 I117 | R86-T88 PolarHBondContact O-N 2.95Å; T88-F90 HydrophobicContact CG2-CE2 4.48Å; T88-F90 HydrophobicContact CG2-CZ 4.44Å; T88-F90 PolarHBondContact O-N 2.89Å; T88-I117 WeakPolarHBondContact O-CD1 3.29Å |
| 89 | L | 29.1 | Very low | 29.9 | Very low | 78 Ų | 78 | 98.9 Ų | 98.9 | 41% | 0.408 | 52% | 0.523 | S | S | . | . | | | trans | -81.2 | 106.8 | 170.7 | -66.6 | 171.7 | 0 | 0 | 0 | 108 | K8 I45 I87 | K8-L89 HydrophobicContact CB-CD2 4.49Å; I45-L89 HydrophobicContact CD1-CD1 4.21Å; I87-L89 HydrophobicContact CG2-CD2 4.03Å; I87-L89 HydrophobicContact CG2-CG 4.23Å; I87-L89 PolarHBondContact O-N 3.13Å |
| 90 | F | 28.8 | Very low | 30.3 | Very low | 108 Ų | 108 | 93.2 Ų | 93.2 | 47% | 0.474 | 50% | 0.499 | S | S | . | . | | | trans | -68.1 | 137.2 | 168.1 | -69.7 | -82.6 | 0 | 0 | 0 | 108.8 | T88 L92 I117 | T88-F90 HydrophobicContact CG2-CE2 4.48Å; T88-F90 HydrophobicContact CG2-CZ 4.44Å; T88-F90 PolarHBondContact O-N 2.89Å; F90-L92 PolarHBondContact O-N 2.97Å; F90-I117 HydrophobicContact CD2-CD1 3.76Å; F90-I117 HydrophobicContact CD2-CG1 4.25Å; F90-I117 HydrophobicContact CE2-CD1 3.51Å; F90-I117 HydrophobicContact CE2-CG1 3.89Å |
| 91 | P | 32.1 | Very low | 30.8 | Very low | 76 Ų | 76 | 92.7 Ų | 92.7 | 49% | 0.494 | 51% | 0.505 | S | S | . | . | | | trans | -62.9 | 95.4 | 166.8 | 26.6 | -30.5 | 0 | 0 | 0 | 106.8 | L70 G93 | L70-P91 WeakPolarHBondContact O-CB 2.91Å; P91-G93 PolarHBondContact O-N 3.3Å; P91-G93 VanDerWaalsContact O-N 3.14Å |
| 92 | L | 34.7 | Very low | 31 | Very low | 79 Ų | 79 | 89.7 Ų | 89.7 | 41% | 0.414 | 49% | 0.485 | S | S | . | . | | | trans | -61.8 | 115.8 | 162.9 | -68.9 | 169.1 | 0 | 0 | 0 | 103.7 | F90 C94 | F90-L92 PolarHBondContact O-N 2.97Å; L92-C94 VanDerWaalsContact C-N 3.32Å; L92-C94 WeakPolarHBondContact CB-SG 3.25Å; L92-C94 PolarHBondContact O-N 3.16Å; L92-C94 PolarHBondContact O-SG 3.06Å |
| 93 | G | 32.7 | Very low | 31.4 | Very low | 30 Ų | 30 | 88.4 Ų | 88.4 | 31% | 0.309 | 47% | 0.473 | S | S | . | . | | | trans | -54.2 | 110.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | P91 P108 D109 | P91-G93 PolarHBondContact O-N 3.3Å; P91-G93 VanDerWaalsContact O-N 3.14Å; G93-P108 CarbonylContact O-C 3.36Å; G93-P108 WeakPolarHBondContact O-CA 3.47Å; G93-D109 WeakPolarHBondContact CA-OD2 3.34Å; G93-D109 PolarHBondContact O-N 3.27Å |
| 94 | C | 38.5 | Very low | 32 | Very low | 37 Ų | 37 | 89.1 Ų | 89.1 | 25% | 0.25 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.2 | -178.3 | -57.4 | 0 | 0 | 0 | 0 | 106.9 | L92 V96 S107 D109 | L92-C94 VanDerWaalsContact C-N 3.32Å; L92-C94 WeakPolarHBondContact CB-SG 3.25Å; L92-C94 PolarHBondContact O-N 3.16Å; L92-C94 PolarHBondContact O-SG 3.06Å; C94-V96 HydrophobicContact CB-CG2 4.48Å; C94-V96 PolarHBondContact O-N 3.37Å; C94-S107 CarbonylContact C-O 3.54Å; C94-S107 WeakPolarHBondContact CA-O 3.33Å; C94-D109 PolarHBondContact N-OD2 3.4Å |
| 95 | S | 36.7 | Very low | 32.7 | Very low | 33 Ų | 33 | 88 Ų | 88 | 23% | 0.231 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 114.1 | 158.2 | -9.6 | 0 | 0 | 0 | 0 | 107.5 | S107 D109 | S95-S107 WeakPolarHBondContact CB-OG 3.39Å; S95-S107 PolarHBondContact N-O 3.16Å; S95-S107 PolarHBondContact O-N 3.26Å; S95-S107 PolarHBondContact O-OG 3.19Å; S95-S107 PolarHBondContact OG-O 2.79Å; S95-S107 PolarHBondContact OG-OG 2.77Å; S95-D109 WeakPolarHBondContact CA-OD1 3.49Å; S95-D109 VanDerWaalsContact CB-OD1 3.29Å; S95-D109 WeakPolarHBondContact CB-OD1 3.49Å; S95-D109 PolarHBondContact N-OD1 3.37Å; S95-D109 PolarHBondContact OG-OD1 2.81Å |
| 96 | V | 40.6 | Very low | 33.5 | Very low | 69 Ų | 69 | 88 Ų | 88 | 42% | 0.418 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 119.4 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | F52 C94 I104 Y105 | F52-V96 HydrophobicContact CE1-CG1 4.38Å; C94-V96 HydrophobicContact CB-CG2 4.48Å; C94-V96 PolarHBondContact O-N 3.37Å; V96-I104 HydrophobicContact CG1-CG2 3.14Å; V96-Y105 CarbonylContact C-O 3.57Å; V96-Y105 WeakPolarHBondContact CA-O 3.33Å |
| 97 | R | 35.9 | Very low | 34.2 | Very low | 147 Ų | 147 | 81 Ų | 81 | 56% | 0.555 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.1 | 177.8 | -59.7 | -174.3 | -172.8 | -155.5 | 0.1 | 109.9 | V99 I104 Y105 | R97-V99 PolarHBondContact O-N 2.83Å; R97-I104 CarbonylContact O-C 3.4Å; R97-I104 WeakPolarHBondContact O-CA 3.32Å; R97-Y105 PolarHBondContact N-O 2.97Å; R97-Y105 PolarHBondContact O-N 3.4Å |
| 98 | K | 38.3 | Very low | 34.9 | Very low | 147 Ų | 147 | 78.6 Ų | 78.6 | 64% | 0.639 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 120.3 | 169.6 | -174.9 | 177.6 | 178.6 | 179.6 | 0 | 108.8 | N100 | K98-N100 WeakPolarHBondContact CG-O 3.45Å |
| 99 | V | 32.9 | Very low | 35.5 | Very low | 89 Ų | 89 | 77.6 Ų | 77.6 | 54% | 0.539 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -44.4 | 177.9 | 176 | 0 | 0 | 0 | 0 | 109.9 | R97 R103 | R97-V99 PolarHBondContact O-N 2.83Å; V99-R103 HydrophobicContact CB-CB 3.83Å; V99-R103 HydrophobicContact CG1-CB 4.27Å; V99-R103 PolarHBondContact N-O 3.15Å |
| 100 | N | 34.7 | Very low | 35.8 | Very low | 67 Ų | 67 | 80.6 Ų | 80.6 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | -169.8 | 171.9 | 63.2 | 31.8 | 0 | 0 | 0 | 109.5 | K98 S102 R103 | K98-N100 WeakPolarHBondContact CG-O 3.45Å; N100-S102 PolarHBondContact O-N 3.15Å; N100-S102 VanDerWaalsContact O-N 3.15Å; N100-S102 WeakPolarHBondContact OD1-CA 3.44Å; N100-S102 PolarHBondContact OD1-N 2.87Å; N100-S102 PolarHBondContact OD1-OG 3.07Å; N100-R103 PolarHBondContact N-O 3.32Å; N100-R103 PolarHBondContact O-N 3.28Å; N100-R103 VanDerWaalsContact OD1-CB 3.3Å; N100-R103 WeakPolarHBondContact OD1-CB 3.46Å; N100-R103 PolarHBondContact OD1-N 3.34Å |
| 101 | N | 33.6 | Very low | 35.9 | Very low | 118 Ų | 118 | 79.1 Ų | 79.1 | 63% | 0.631 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.4 | 179.6 | -84.2 | -8.3 | 0 | 0 | 0 | 114.2 | R141 | N101-R141 PolarHBondContact O-NE 3.04Å; N101-R141 PolarHBondContact O-NH2 3.12Å |
| 102 | S | 29.8 | Very low | 35.7 | Very low | 48 Ų | 48 | 80 Ų | 80 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -5 | -179.1 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | N100 | N100-S102 PolarHBondContact O-N 3.15Å; N100-S102 VanDerWaalsContact O-N 3.15Å; N100-S102 WeakPolarHBondContact OD1-CA 3.44Å; N100-S102 PolarHBondContact OD1-N 2.87Å; N100-S102 PolarHBondContact OD1-OG 3.07Å |
| 103 | R | 31.5 | Very low | 35.3 | Very low | 156 Ų | 156 | 82.8 Ų | 82.8 | 59% | 0.589 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.7 | -170.5 | -67.5 | -175.8 | 179.7 | -177.8 | -2.8 | 112.3 | V99 N100 | V99-R103 HydrophobicContact CB-CB 3.83Å; V99-R103 HydrophobicContact CG1-CB 4.27Å; V99-R103 PolarHBondContact N-O 3.15Å; N100-R103 PolarHBondContact N-O 3.32Å; N100-R103 PolarHBondContact O-N 3.28Å; N100-R103 VanDerWaalsContact OD1-CB 3.3Å; N100-R103 WeakPolarHBondContact OD1-CB 3.46Å; N100-R103 PolarHBondContact OD1-N 3.34Å |
| 104 | I | 35.9 | Very low | 35 | Very low | 78 Ų | 78 | 82.1 Ų | 82.1 | 40% | 0.4 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.6 | 173.2 | -59.1 | 174.8 | 0 | 0 | 0 | 107.1 | V96 R97 | V96-I104 HydrophobicContact CG1-CG2 3.14Å; R97-I104 CarbonylContact O-C 3.4Å; R97-I104 WeakPolarHBondContact O-CA 3.32Å |
| 105 | Y | 37.5 | Very low | 34.4 | Very low | 115 Ų | 115 | 86.6 Ų | 86.6 | 45% | 0.451 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.9 | 173.3 | -179.2 | -104.6 | 0 | 0 | 0 | 108.9 | V96 R97 L136 | V96-Y105 CarbonylContact C-O 3.57Å; V96-Y105 WeakPolarHBondContact CA-O 3.33Å; R97-Y105 PolarHBondContact N-O 2.97Å; R97-Y105 PolarHBondContact O-N 3.4Å; Y105-L136 HydrophobicContact CD2-CD1 4.22Å; Y105-L136 HydrophobicContact CE2-CD1 3.72Å |
| 106 | C | 41.7 | Very low | 33.9 | Very low | 35 Ų | 35 | 86.3 Ų | 86.3 | 24% | 0.236 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 109.2 | 174.1 | -65.5 | 0 | 0 | 0 | 0 | 108.1 | L136 | C106-L136 HydrophobicContact CB-CD2 4.27Å; C106-L136 WeakPolarHBondContact O-CD2 3.2Å |
| 107 | S | 39.2 | Very low | 33.2 | Very low | 20 Ų | 20 | 88.1 Ų | 88.1 | 14% | 0.14 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.1 | 167.4 | 53.3 | 0 | 0 | 0 | 0 | 110 | C94 S95 D109 | C94-S107 CarbonylContact C-O 3.54Å; C94-S107 WeakPolarHBondContact CA-O 3.33Å; S95-S107 WeakPolarHBondContact CB-OG 3.39Å; S95-S107 PolarHBondContact N-O 3.16Å; S95-S107 PolarHBondContact O-N 3.26Å; S95-S107 PolarHBondContact O-OG 3.19Å; S95-S107 PolarHBondContact OG-O 2.79Å; S95-S107 PolarHBondContact OG-OG 2.77Å; S107-D109 PolarHBondContact O-N 2.88Å |
| 108 | P | 43.3 | Very low | 32.7 | Very low | 44 Ų | 44 | 86.7 Ų | 86.7 | 29% | 0.286 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 128.9 | 167.2 | 24.1 | -30.5 | 0 | 0 | 0 | 110.4 | G93 K110 | G93-P108 CarbonylContact O-C 3.36Å; G93-P108 WeakPolarHBondContact O-CA 3.47Å; P108-K110 PolarHBondContact O-N 3.46Å; P108-K110 VanDerWaalsContact O-N 3.09Å |
| 109 | D | 38.3 | Very low | 32.2 | Very low | 55 Ų | 55 | 87.5 Ų | 87.5 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -59.5 | -19 | 179.1 | -73.3 | -42 | 0 | 0 | 0 | 112.4 | G93 C94 S95 S107 | G93-D109 WeakPolarHBondContact CA-OD2 3.34Å; G93-D109 PolarHBondContact O-N 3.27Å; C94-D109 PolarHBondContact N-OD2 3.4Å; S95-D109 WeakPolarHBondContact CA-OD1 3.49Å; S95-D109 VanDerWaalsContact CB-OD1 3.29Å; S95-D109 WeakPolarHBondContact CB-OD1 3.49Å; S95-D109 PolarHBondContact N-OD1 3.37Å; S95-D109 PolarHBondContact OG-OD1 2.81Å; S107-D109 PolarHBondContact O-N 2.88Å |
| 110 | K | 34.6 | Very low | 31.9 | Very low | 141 Ų | 141 | 87.4 Ų | 87.4 | 61% | 0.613 | 43% | 0.433 | S | S | * | . | | | trans | -138.5 | 107.6 | 168.9 | -67 | -175.6 | 179.9 | 178 | 0 | 108.8 | P108 D112 Y113 | P108-K110 PolarHBondContact O-N 3.46Å; P108-K110 VanDerWaalsContact O-N 3.09Å; K110-D112 PolarHBondContact O-N 3.37Å; K110-Y113 HydrophobicContact CB-CD2 4.4Å; K110-Y113 HydrophobicContact CD-CD2 4.44Å |
| 111 | P | 31.3 | Very low | 31.5 | Very low | 78 Ų | 78 | 87.9 Ų | 87.9 | 51% | 0.506 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -64.1 | -19.3 | 174.9 | 26.7 | -33.3 | 0 | 0 | 0 | 112.2 | Y113 | P111-Y113 VanDerWaalsContact C-N 3.27Å; P111-Y113 PolarHBondContact O-N 3.13Å |
| 112 | D | 27.7 | Very low | 31.1 | Very low | 93 Ų | 93 | 87.4 Ų | 87.4 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -75 | -8.3 | -172.1 | -59.5 | -34 | 0 | 0 | 0 | 115 | K110 | K110-D112 PolarHBondContact O-N 3.37Š|
| 113 | Y | 25.8 | Very low | 31.1 | Very low | 139 Ų | 139 | 88.3 Ų | 88.3 | 55% | 0.545 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -139.4 | 59.4 | -175.4 | -59.2 | -81 | 0 | 0 | 0 | 112 | K110 P111 Y115 | K110-Y113 HydrophobicContact CB-CD2 4.4Å; K110-Y113 HydrophobicContact CD-CD2 4.44Å; P111-Y113 VanDerWaalsContact C-N 3.27Å; P111-Y113 PolarHBondContact O-N 3.13Å; Y113-Y115 PolarHBondContact O-N 2.91Å |
| 114 | V | 27.7 | Very low | 31 | Very low | 15 Ų | 15 | 83.8 Ų | 83.8 | 9% | 0.091 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 111.6 | 160.5 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | S116 F124 L134 | V114-S116 PolarHBondContact O-N 2.85Å; V114-F124 HydrophobicContact CB-CB 3.84Å; V114-F124 HydrophobicContact CB-CD1 3.89Å; V114-F124 HydrophobicContact CB-CG 3.99Å; V114-F124 HydrophobicContact CG2-CD1 4.21Å; V114-F124 WeakPolarHBondContact O-CA 3.34Å; V114-F124 WeakPolarHBondContact O-CB 2.74Å; V114-F124 PolarHBondContact O-N 3.09Å; V114-L134 HydrophobicContact CG2-CD1 4.48Å |
| 115 | Y | 26.5 | Very low | 30.6 | Very low | 131 Ų | 131 | 85 Ų | 85 | 51% | 0.514 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 102.2 | 170.8 | -79 | -85.9 | 0 | 0 | 0 | 108.1 | Y113 I117 P123 | Y113-Y115 PolarHBondContact O-N 2.91Å; Y115-I117 VanDerWaalsContact C-N 3.32Å; Y115-I117 WeakPolarHBondContact O-CG1 3.37Å; Y115-I117 PolarHBondContact O-N 2.67Å; Y115-P123 HydrophobicContact CE1-CB 4.4Å |
| 116 | S | 25.9 | Very low | 30.1 | Very low | 27 Ų | 27 | 81.3 Ų | 81.3 | 19% | 0.189 | 45% | 0.448 | C | S | . | . | | | trans | -70.1 | 95 | 167.2 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | V114 Y118 | V114-S116 PolarHBondContact O-N 2.85Å; S116-Y118 PolarHBondContact O-N 2.8Å; S116-Y118 VanDerWaalsContact O-N 3.07Å; S116-Y118 WeakPolarHBondContact OG-CD2 3.43Å |
| 117 | I | 25.6 | Very low | 29.2 | Very low | 108 Ų | 108 | 84.5 Ų | 84.5 | 55% | 0.554 | 47% | 0.466 | S | S | * | . | | | trans | -74.6 | 16.1 | 172.5 | -11.6 | 167.2 | 0 | 0 | 0 | 111.4 | T88 F90 Y115 N119 | T88-I117 WeakPolarHBondContact O-CD1 3.29Å; F90-I117 HydrophobicContact CD2-CD1 3.76Å; F90-I117 HydrophobicContact CD2-CG1 4.25Å; F90-I117 HydrophobicContact CE2-CD1 3.51Å; F90-I117 HydrophobicContact CE2-CG1 3.89Å; Y115-I117 VanDerWaalsContact C-N 3.32Å; Y115-I117 WeakPolarHBondContact O-CG1 3.37Å; Y115-I117 PolarHBondContact O-N 2.67Å; I117-N119 PolarHBondContact O-N 3Å |
| 118 | Y | 25.3 | Very low | 28.6 | Very low | 116 Ų | 116 | 93.2 Ų | 93.2 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -69.1 | 86.1 | 164.8 | -75.2 | -69.9 | 0 | 0 | 0 | 108.7 | L10 S116 T120 | L10-Y118 HydrophobicContact CD2-CE1 4.03Å; S116-Y118 PolarHBondContact O-N 2.8Å; S116-Y118 VanDerWaalsContact O-N 3.07Å; S116-Y118 WeakPolarHBondContact OG-CD2 3.43Å; Y118-T120 WeakPolarHBondContact O-CB 3.18Å; Y118-T120 WeakPolarHBondContact O-CG2 3.43Å; Y118-T120 PolarHBondContact O-N 2.81Å; Y118-T120 PolarHBondContact O-OG1 2.98Å |
| 119 | N | 27.1 | Very low | 27.8 | Very low | 165 Ų | 165 | 95 Ų | 95 | 88% | 0.882 | 52% | 0.515 | S | S | * | . | S | Bend | trans | 50.7 | 8.9 | 155.4 | -134.3 | 25.3 | 0 | 0 | 0 | 118.6 | I117 | I117-N119 PolarHBondContact O-N 3Š|
| 120 | T | 26 | Very low | 27.2 | Very low | 87 Ų | 87 | 97.7 Ų | 97.7 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -121.8 | -19.5 | -169 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | Y118 L122 | Y118-T120 WeakPolarHBondContact O-CB 3.18Å; Y118-T120 WeakPolarHBondContact O-CG2 3.43Å; Y118-T120 PolarHBondContact O-N 2.81Å; Y118-T120 PolarHBondContact O-OG1 2.98Å; T120-L122 PolarHBondContact O-N 2.78Å; T120-L122 VanDerWaalsContact O-N 3.16Å |
| 121 | G | 26.6 | Very low | 26.7 | Very low | 76 Ų | 76 | 97.8 Ų | 97.8 | 78% | 0.784 | 54% | 0.538 | S | S | * | . | | | trans | 63.4 | 15.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 122 | L | 26.9 | Very low | 26.5 | Very low | 109 Ų | 109 | 100.1 Ų | 100.1 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | | | trans | -98.9 | 141 | -175.9 | -67.7 | 171.1 | 0 | 0 | 0 | 111 | T120 | T120-L122 PolarHBondContact O-N 2.78Å; T120-L122 VanDerWaalsContact O-N 3.16Å |
| 123 | P | 27.9 | Very low | 26.3 | Very low | 66 Ų | 66 | 104.2 Ų | 104.2 | 43% | 0.429 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -64 | 137.4 | 170.3 | 26.9 | -32.1 | 0 | 0 | 0 | 110 | Y115 T125 | Y115-P123 HydrophobicContact CE1-CB 4.4Å; P123-T125 PolarHBondContact O-N 2.73Å |
| 124 | F | 30.7 | Very low | 26.5 | Very low | 61 Ų | 61 | 102 Ų | 102 | 27% | 0.268 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.1 | 104.9 | 168.9 | -175.4 | -100.2 | 0 | 0 | 0 | 108.2 | V114 G126 | V114-F124 HydrophobicContact CB-CB 3.84Å; V114-F124 HydrophobicContact CB-CD1 3.89Å; V114-F124 HydrophobicContact CB-CG 3.99Å; V114-F124 HydrophobicContact CG2-CD1 4.21Å; V114-F124 WeakPolarHBondContact O-CA 3.34Å; V114-F124 WeakPolarHBondContact O-CB 2.74Å; V114-F124 PolarHBondContact O-N 3.09Å; F124-G126 PolarHBondContact O-N 2.91Å; F124-G126 VanDerWaalsContact O-N 3.14Å |
| 125 | T | 27 | Very low | 26.5 | Very low | 105 Ų | 105 | 108.2 Ų | 108.2 | 64% | 0.644 | 59% | 0.588 | S | S | * | * | | | trans | -74.4 | 100.3 | 167.3 | 51 | 0 | 0 | 0 | 0 | 106.6 | P123 T127 | P123-T125 PolarHBondContact O-N 2.73Å; T125-T127 PolarHBondContact O-N 2.93Å |
| 126 | G | 26.1 | Very low | 26.6 | Very low | 37 Ų | 37 | 106.7 Ų | 106.7 | 38% | 0.381 | 59% | 0.588 | S | S | . | * | | | trans | -63.2 | 34.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F124 | F124-G126 PolarHBondContact O-N 2.91Å; F124-G126 VanDerWaalsContact O-N 3.14Å |
| 127 | T | 24.3 | Very low | 26.7 | Very low | 101 Ų | 101 | 111.1 Ų | 111.1 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -137 | 111.8 | -179.4 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | T125 | T125-T127 PolarHBondContact O-N 2.93Š|
| 128 | K | 26.6 | Very low | 26.7 | Very low | 204 Ų | 204 | 110.7 Ų | 110.7 | 89% | 0.887 | 62% | 0.616 | S | S | * | * | | | trans | 82.5 | 30.9 | 159.8 | -48.6 | 179.7 | 179.9 | -178.7 | 0 | 119.5 | P130 | K128-P130 WeakPolarHBondContact O-CD 3.47Š|
| 129 | S | 25.2 | Very low | 26.9 | Very low | 80 Ų | 80 | 108.8 Ų | 108.8 | 56% | 0.559 | 61% | 0.612 | S | S | * | * | | | trans | -90.9 | 118.8 | 159 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | H131 | S129-H131 PolarHBondContact O-N 3.49Å; S129-H131 VanDerWaalsContact O-N 3.15Å; S129-H131 PolarHBondContact OG-N 2.89Å; S129-H131 PolarHBondContact OG-O 2.76Å |
| 130 | P | 25.6 | Very low | 26.8 | Very low | 112 Ų | 112 | 107.7 Ų | 107.7 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -73.8 | 9 | 174.5 | 29 | -31.7 | 0 | 0 | 0 | 113.7 | K128 | K128-P130 WeakPolarHBondContact O-CD 3.47Š|
| 131 | H | 24.8 | Very low | 26.7 | Very low | 143 Ų | 143 | 111.6 Ų | 111.6 | 66% | 0.662 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -136.5 | 131.1 | -177.1 | -59.7 | -56 | 0 | 0 | 0 | 109.2 | S129 | S129-H131 PolarHBondContact O-N 3.49Å; S129-H131 VanDerWaalsContact O-N 3.15Å; S129-H131 PolarHBondContact OG-N 2.89Å; S129-H131 PolarHBondContact OG-O 2.76Å |
| 132 | E | 26.6 | Very low | 26.6 | Very low | 127 Ų | 127 | 113.3 Ų | 113.3 | 59% | 0.593 | 61% | 0.606 | S | S | * | * | | | trans | 96 | 66.2 | -178.1 | -54.4 | -177.4 | 170.4 | 0 | 0 | 114.9 | L134 | E132-L134 PolarHBondContact O-N 3.39Š|
| 133 | E | 24.8 | Very low | 26.4 | Very low | 179 Ų | 179 | 114.3 Ų | 114.3 | 84% | 0.836 | 62% | 0.617 | S | S | * | * | | | trans | -53.3 | 121.9 | 144.6 | -91.1 | 179.8 | 149.1 | 0 | 0 | 107.8 | D135 | E133-D135 VanDerWaalsContact C-N 3.32Å; E133-D135 PolarHBondContact O-N 3.25Å |
| 134 | L | 29.3 | Very low | 26.3 | Very low | 94 Ų | 94 | 115 Ų | 115 | 49% | 0.492 | 62% | 0.623 | S | S | . | * | | | trans | -65 | 99 | 163.6 | -88.2 | 151.9 | 0 | 0 | 0 | 106.7 | V114 E132 L136 | V114-L134 HydrophobicContact CG2-CD1 4.48Å; E132-L134 PolarHBondContact O-N 3.39Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 3.15Å |
| 135 | D | 28.1 | Very low | 26 | Very low | 145 Ų | 145 | 117.8 Ų | 117.8 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | | | trans | -56.8 | 94.6 | 168.7 | -82 | -25.5 | 0 | 0 | 0 | 108.6 | E133 I137 | E133-D135 VanDerWaalsContact C-N 3.32Å; E133-D135 PolarHBondContact O-N 3.25Å; D135-I137 PolarHBondContact O-N 3.16Å |
| 136 | L | 29.1 | Very low | 25.9 | Very low | 98 Ų | 98 | 115.8 Ų | 115.8 | 51% | 0.513 | 64% | 0.636 | S | S | . | * | | | trans | -72.6 | 104.4 | 169.1 | -77.2 | 166.9 | 0 | 0 | 0 | 106.9 | Y105 C106 L134 S138 | Y105-L136 HydrophobicContact CD2-CD1 4.22Å; Y105-L136 HydrophobicContact CE2-CD1 3.72Å; C106-L136 HydrophobicContact CB-CD2 4.27Å; C106-L136 WeakPolarHBondContact O-CD2 3.2Å; L134-L136 VanDerWaalsContact C-N 3.28Å; L134-L136 PolarHBondContact O-N 3.15Å; L136-S138 PolarHBondContact O-N 3.38Å |
| 137 | I | 27.7 | Very low | 25.9 | Very low | 120 Ų | 120 | 119 Ų | 119 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | | | trans | -58.3 | 112.1 | 179 | -59.1 | -179.7 | 0 | 0 | 0 | 109.1 | Y7 D135 | Y7-I137 WeakPolarHBondContact O-CD1 3.44Å; D135-I137 PolarHBondContact O-N 3.16Å |
| 138 | S | 25.8 | Very low | 26.1 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | | | trans | -66.7 | 137.5 | 167.5 | 57.1 | 0 | 0 | 0 | 0 | 110 | L136 | L136-S138 PolarHBondContact O-N 3.38Š|
| 139 | M | 28.3 | Very low | 26.1 | Very low | 75 Ų | 75 | 123 Ų | 123 | 37% | 0.369 | 66% | 0.663 | S | S | . | * | | | trans | -108.2 | 121.6 | -175.5 | -149.5 | 178.3 | 58 | 0 | 0 | 110.2 | C4 Y5 | C4-M139 HydrophobicContact CB-CE 3.88Å; C4-M139 HydrophobicContact CB-SD 4.46Å; Y5-M139 VanDerWaalsContact O-SD 3.38Å |
| 140 | D | 25.1 | Very low | 26.4 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | | | trans | -82.8 | 139.2 | 175.7 | -84.6 | -31.6 | 0 | 0 | 0 | 112.2 | T142 | D140-T142 VanDerWaalsContact C-N 3.35Å; D140-T142 PolarHBondContact O-N 2.71Å |
| 141 | R | 24.5 | Very low | 26.5 | Very low | 169 Ų | 169 | 127 Ų | 127 | 64% | 0.638 | 67% | 0.671 | S | S | * | * | | | trans | -73.8 | 80.1 | 173.9 | -83 | -176 | 165.4 | -167.1 | -22.3 | 110.3 | N101 | N101-R141 PolarHBondContact O-NE 3.04Å; N101-R141 PolarHBondContact O-NH2 3.12Å |
| 142 | T | 23.7 | Very low | 26.6 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 69% | 0.693 | 68% | 0.681 | S | S | * | * | | | trans | -138 | 131.9 | 171.4 | 44.1 | 0 | 0 | 0 | 0 | 112.4 | D140 | D140-T142 VanDerWaalsContact C-N 3.35Å; D140-T142 PolarHBondContact O-N 2.71Å |
| 143 | T | 24.4 | Very low | 26.7 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 79% | 0.791 | 69% | 0.687 | S | S | * | * | | | trans | 72.6 | 63 | 170 | 65.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 144 | S | 24.5 | Very low | 26.9 | Very low | 80 Ų | 80 | 125 Ų | 125 | 56% | 0.559 | 68% | 0.684 | S | S | * | * | | | trans | -95 | 76.1 | 151.6 | 65 | 0 | 0 | 0 | 0 | 109.8 | Q2 | Q2-S144 PolarHBondContact NE2-OG 3.14Š|
| 145 | T | 24 | Very low | 26.9 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 74% | 0.742 | 70% | 0.702 | S | S | * | * | | | trans | -102.6 | 111.7 | 170.7 | 8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 146 | S | 24.7 | Very low | 26.7 | Very low | 63 Ų | 63 | 124.3 Ų | 124.3 | 44% | 0.441 | 70% | 0.696 | S | S | . | * | | | trans | 41.8 | 73 | 161.8 | 71.1 | 0 | 0 | 0 | 0 | 120.9 | R148 E149 | S146-R148 PolarHBondContact O-N 3.48Å; S146-R148 VanDerWaalsContact O-N 3.11Å; S146-E149 PolarHBondContact OG-OE2 3.04Å |
| 147 | A | 26.6 | Very low | 26.6 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 14.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 148 | R | 29 | Very low | 26.5 | Very low | 233 Ų | 233 | 130.2 Ų | 130.2 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 2 | -175 | -127.5 | -178.2 | -178.3 | -176.2 | -0.2 | 114.8 | S146 | S146-R148 PolarHBondContact O-N 3.48Å; S146-R148 VanDerWaalsContact O-N 3.11Å |
| 149 | E | 27.5 | Very low | 26.7 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -112.9 | 0.8 | -180 | -76.2 | 176.4 | 149.4 | 0 | 0 | 114.4 | S146 | S146-E149 PolarHBondContact OG-OE2 3.04Š|
| 150 | V | 29.9 | Very low | 26.6 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -97 | -5.4 | 179.5 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 151 | Q | 28.3 | Very low | 26.7 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -90.7 | -5.8 | -173.4 | -138 | 168.1 | 12.2 | 0 | 0 | 114.9 | | |
| 152 | E | 27.7 | Very low | 26.8 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -102.4 | -5.9 | 175.1 | -72.8 | -174.8 | 158.9 | 0 | 0 | 114.1 | | |
| 153 | G | 28 | Very low | 27 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -88 | -6.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 154 | L | 28.9 | Very low | 27.1 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -109.1 | 6.8 | -167.7 | -73.8 | 164.9 | 0 | 0 | 0 | 114.8 | | |
| 155 | N | 28.4 | Very low | 27.2 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -99.4 | 20.5 | -179.4 | -99.1 | -7.1 | 0 | 0 | 0 | 115.2 | | |
| 156 | G | 25.4 | Very low | 27.5 | Very low | 62 Ų | 62 | 144.6 Ų | 144.6 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | | | trans | -145.6 | 76 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 157 | S | 25.5 | Very low | 27.5 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | trans | -177.9 | 62.4 | 155.8 | 25.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 158 | Y | 26.9 | Very low | 27.7 | Very low | 237 Ų | 237 | 150.4 Ų | 150.4 | 93% | 0.929 | 80% | 0.804 | S | S | * | * | | | trans | -143 | 85.2 | 155.8 | -71.7 | -77 | 0 | 0 | 0 | 110.6 | | |
| 159 | K | 29.1 | Very low | 27.7 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | | | trans | -162.1 | 112.1 | 143.2 | -113 | 169.8 | -174.8 | 179.6 | 0 | 112.4 | | |
| 160 | L | 27.1 | Very low | 28 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -32.8 | 124.5 | 158.6 | -70.2 | 102.7 | 0 | 0 | 0 | 114.5 | | |
| 161 | R | 27.7 | Very low | 28 | Very low | 238 Ų | 238 | 148.8 Ų | 148.8 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | | 162.3 | 131.8 | 120.8 | -99.4 | -175.1 | 176.2 | 179.8 | -0.3 | 110.4 | | |
| 162 | P | 26 | Very low | 28 | Very low | 131 Ų | 131 | 151 Ų | 151 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -89.8 | 116.9 | 166.7 | 33.4 | -24.3 | 0 | 0 | 0 | 108.9 | | |
| 163 | A | 26.6 | Very low | 28.1 | Very low | 91 Ų | 91 | 147.4 Ų | 147.4 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | trans | -173.3 | 109.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 164 | M | 27.1 | Very low | 27.9 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | 51.3 | 119.1 | 139.4 | -67.3 | -171.6 | 145.2 | 0 | 0 | 121.5 | | |
| 165 | N | 28 | Very low | 27.9 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | | | trans | 69.7 | 127.5 | 134.2 | -64.3 | -10.8 | 0 | 0 | 0 | 121.4 | | |
| 166 | G | 29 | Very low | 27.7 | Very low | 69 Ų | 69 | 146.4 Ų | 146.4 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | 109.8 | 90 | 156.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 167 | V | 25.2 | Very low | 27.7 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | | | | 73 | 125.7 | 74.5 | -175 | 0 | 0 | 0 | 0 | 113.5 | | |
| 168 | L | 30.6 | Very low | 27.5 | Very low | 158 Ų | 158 | 150 Ų | 150 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | | | trans | 88.4 | 141.8 | 164.7 | -47 | 175.3 | 0 | 0 | 0 | 117.5 | | |
| 169 | K | 30 | Very low | 27.3 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | | | cis | -174.3 | 159 | -36.9 | -120.2 | -169 | 179.7 | -179.7 | 0 | 104.9 | | |
| 170 | P | 32.8 | Very low | 26.9 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -103.8 | 160.5 | -161.2 | 39.1 | -33.2 | 0 | 0 | 0 | 115.2 | | |
| 171 | E | 30.4 | Very low | 26.7 | Very low | 155 Ų | 155 | 137 Ų | 137 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | trans | -156.6 | 130.4 | 159.5 | -85.9 | -153.4 | 126.5 | 0 | 0 | 114.6 | | |
| 172 | R | 27.7 | Very low | 26.4 | Very low | 213 Ų | 213 | 135.1 Ų | 135.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 49.7 | 140.8 | 133 | -61.9 | 176.8 | 171 | 172.8 | -5.5 | 119.2 | | |
| 173 | S | 29.9 | Very low | 26.2 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | cis | -175.7 | 162.5 | 40.5 | 11.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 174 | S | 23.7 | Very low | 26 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -52.4 | 151.3 | 177.9 | 58.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 175 | S | 27.9 | Very low | 25.8 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | | -179 | 134.2 | 120.8 | 42 | 0 | 0 | 0 | 0 | 111.8 | | |
| 176 | V | 24.2 | Very low | 25.6 | Very low | 136 Ų | 136 | 133 Ų | 133 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -98.1 | 145.4 | 162.1 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | | |
| 177 | P | 25.9 | Very low | 25.3 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | | | | -144.9 | 154.3 | 121.1 | 28.6 | -8.6 | 0 | 0 | 0 | 115.1 | | |
| 178 | T | 22.6 | Very low | 25.2 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | | | trans | -60 | 156.6 | 169.1 | 35.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 179 | S | 22.2 | Very low | 24.7 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | 110.7 | 119.3 | 143.6 | 73.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 180 | S | 20.9 | Very low | 24.3 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | 69.6 | 112.7 | 139.9 | -131.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 181 | T | 21.7 | Very low | 23.8 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | 50.3 | 113.3 | 136.3 | 44.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 182 | Q | 21.9 | Very low | 23.5 | Very low | 197 Ų | 197 | 131 Ų | 131 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | | -166.4 | 139.7 | 121 | -104.8 | 168.4 | 22.7 | 0 | 0 | 111.3 | | |
| 183 | I | 21.8 | Very low | 23.2 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | -86.3 | 165.9 | -176.5 | -64.2 | 165.8 | 0 | 0 | 0 | 109.8 | | |
| 184 | T | 22.8 | Very low | 22.9 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | trans | 99.8 | 133.6 | 167.2 | 68.5 | 0 | 0 | 0 | 0 | 113 | | |
| 185 | S | 23 | Very low | 22.9 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | cis | -159.1 | 157 | 9.1 | 40.5 | 0 | 0 | 0 | 0 | 105.2 | | |
| 186 | T | 23.6 | Very low | 22.6 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | | | | 175.2 | 131.8 | 78.8 | 37.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 187 | D | 22.5 | Very low | 22.7 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | trans | 44.5 | 99.3 | 142.8 | -58.6 | -36.5 | 0 | 0 | 0 | 120.6 | | |
| 188 | D | 22.4 | Very low | 22.5 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -161.1 | 82.2 | 131.9 | -97.1 | -23.9 | 0 | 0 | 0 | 108.8 | I190 | D188-I190 PolarHBondContact O-N 2.86Š|
| 189 | V | 20.8 | Very low | 22.5 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | -80 | 98.7 | 175.9 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | S191 | V189-S191 PolarHBondContact O-N 3.27Å; V189-S191 VanDerWaalsContact O-N 3.1Å |
| 190 | I | 22.2 | Very low | 22.6 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | trans | -75.8 | 98.6 | 162.9 | -60.6 | 177.4 | 0 | 0 | 0 | 107.1 | D188 A192 | D188-I190 PolarHBondContact O-N 2.86Å; I190-A192 PolarHBondContact O-N 3.08Å; I190-A192 VanDerWaalsContact O-N 3.08Å |
| 191 | S | 21.6 | Very low | 22.7 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | -63.2 | 101.8 | 176.2 | -170 | 0 | 0 | 0 | 0 | 110.4 | V189 K193 | V189-S191 PolarHBondContact O-N 3.27Å; V189-S191 VanDerWaalsContact O-N 3.1Å; S191-K193 PolarHBondContact O-N 3.14Å |
| 192 | A | 23.2 | Very low | 22.8 | Very low | 95 Ų | 95 | 146.6 Ų | 146.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -73.1 | 103.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | I190 Y194 | I190-A192 PolarHBondContact O-N 3.08Å; I190-A192 VanDerWaalsContact O-N 3.08Å; A192-Y194 PolarHBondContact O-N 3.2Å |
| 193 | K | 22.6 | Very low | 22.9 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | | | trans | -63.6 | 110.2 | 171 | -78.4 | -172.7 | 178.1 | -175.8 | 0 | 108.9 | S191 V195 | S191-K193 PolarHBondContact O-N 3.14Å; K193-V195 PolarHBondContact O-N 2.89Å; K193-V195 VanDerWaalsContact O-N 3.15Å |
| 194 | Y | 23.5 | Very low | 23.1 | Very low | 207 Ų | 207 | 141.7 Ų | 141.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -55.4 | 110.8 | 157.9 | -172.2 | -100.9 | 0 | 0 | 0 | 107.9 | A192 P196 | A192-Y194 PolarHBondContact O-N 3.2Å; Y194-P196 HydrophobicContact CD1-CB 4.37Å; Y194-P196 HydrophobicContact CD1-CG 4.41Å; Y194-P196 HydrophobicContact CE1-CB 3.97Å; Y194-P196 HydrophobicContact CE1-CG 4.43Å; Y194-P196 VanDerWaalsContact O-CD 3.28Å; Y194-P196 WeakPolarHBondContact O-CD 3.4Å |
| 195 | V | 22.9 | Very low | 23.2 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | | | trans | -97.2 | 101.6 | 168 | -178.5 | 0 | 0 | 0 | 0 | 106.2 | K193 N197 | K193-V195 PolarHBondContact O-N 2.89Å; K193-V195 VanDerWaalsContact O-N 3.15Å; V195-N197 PolarHBondContact O-N 3.09Å |
| 196 | P | 23.1 | Very low | 23.3 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 53% | 0.526 | 78% | 0.778 | S | S | . | * | | | trans | -64.3 | 132.8 | 167.7 | 26.5 | -27.7 | 0 | 0 | 0 | 107.1 | Y194 G198 | Y194-P196 HydrophobicContact CD1-CB 4.37Å; Y194-P196 HydrophobicContact CD1-CG 4.41Å; Y194-P196 HydrophobicContact CE1-CB 3.97Å; Y194-P196 HydrophobicContact CE1-CG 4.43Å; Y194-P196 VanDerWaalsContact O-CD 3.28Å; Y194-P196 WeakPolarHBondContact O-CD 3.4Å; P196-G198 PolarHBondContact O-N 2.72Å |
| 197 | N | 24.8 | Very low | 23.4 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | | | trans | -65.1 | 76.8 | 161.9 | -87.4 | -23.3 | 0 | 0 | 0 | 108.1 | V195 | V195-N197 PolarHBondContact O-N 3.09Š|
| 198 | G | 23.1 | Very low | 23.6 | Very low | 55 Ų | 55 | 145.5 Ų | 145.5 | 57% | 0.567 | 79% | 0.792 | S | S | * | * | | | trans | -106.4 | 114.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | P196 E200 | P196-G198 PolarHBondContact O-N 2.72Å; G198-E200 VanDerWaalsContact C-N 3.32Å; G198-E200 PolarHBondContact O-N 3.31Å |
| 199 | Y | 22.5 | Very low | 23.6 | Very low | 242 Ų | 242 | 142 Ų | 142 | 95% | 0.949 | 78% | 0.781 | S | S | * | * | | | trans | -60.2 | 94.7 | 161.4 | -83 | -103.9 | 0 | 0 | 0 | 108.3 | | |
| 200 | E | 24 | Very low | 23.9 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -133 | 89.5 | 167.3 | -81.8 | -170 | 162.5 | 0 | 0 | 110.3 | G198 L202 | G198-E200 VanDerWaalsContact C-N 3.32Å; G198-E200 PolarHBondContact O-N 3.31Å; E200-L202 PolarHBondContact O-N 3.22Å; E200-L202 VanDerWaalsContact O-N 3.12Å |
| 201 | Q | 22.8 | Very low | 23.9 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | | | trans | 4.7 | 90.1 | 132.5 | -161.8 | 172.9 | 70.3 | 0 | 0 | 115.3 | | |
| 202 | L | 24.5 | Very low | 24.1 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | -118.8 | 95.7 | 157.3 | -83.6 | 165.6 | 0 | 0 | 0 | 108 | E200 | E200-L202 PolarHBondContact O-N 3.22Å; E200-L202 VanDerWaalsContact O-N 3.12Å |
| 203 | A | 22.3 | Very low | 24 | Very low | 93 Ų | 93 | 152.4 Ų | 152.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -59.8 | 128.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 204 | D | 26.7 | Very low | 24.2 | Very low | 157 Ų | 157 | 152 Ų | 152 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -125.5 | 121.4 | 154.3 | -137.7 | -7.3 | 0 | 0 | 0 | 107.1 | | |
| 205 | P | 24.7 | Very low | 24.4 | Very low | 95 Ų | 95 | 149.3 Ų | 149.3 | 62% | 0.617 | 79% | 0.79 | S | S | * | * | | | trans | -79.7 | 153 | -176.5 | 34.3 | -29.9 | 0 | 0 | 0 | 109 | | |
| 206 | N | 26.3 | Very low | 24.4 | Very low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | 89.4 | 70.6 | 177.6 | -48.8 | -32.4 | 0 | 0 | 0 | 116 | | |
| 207 | C | 25.3 | Very low | 24.6 | Very low | 136 Ų | 136 | 151 Ų | 151 | 92% | 0.919 | 81% | 0.806 | S | S | * | * | | | trans | -146.5 | 85.2 | 140.8 | -132.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 208 | E | 25.8 | Very low | 24.5 | Very low | 180 Ų | 180 | 148.8 Ų | 148.8 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -66.2 | 129.9 | 172.2 | -75.5 | -172.9 | 146.7 | 0 | 0 | 111.3 | | |
| 209 | S | 23.9 | Very low | 24.7 | Very low | 91 Ų | 91 | 151.8 Ų | 151.8 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | | | trans | 68.5 | 112 | 142.3 | 74.6 | 0 | 0 | 0 | 0 | 118 | | |
| 210 | K | 25.5 | Very low | 24.8 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | | | | 178.6 | 100.2 | 103 | -90.4 | 157.6 | -171.7 | 179.2 | 0 | 110.5 | | |
| 211 | S | 23.4 | Very low | 25.1 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | 23.7 | 105.7 | 134.7 | 47.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 212 | Y | 24.2 | Very low | 25.2 | Very low | 214 Ų | 214 | 140.2 Ų | 140.2 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -119.4 | 111 | 146.4 | -92.9 | -89.3 | 0 | 0 | 0 | 109.1 | | |
| 213 | K | 23 | Very low | 25.5 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | | | trans | -67.1 | 132.3 | 164.8 | -72.4 | 178.4 | 173.5 | -179.5 | 0 | 108.2 | | |
| 214 | Q | 26.9 | Very low | 25.9 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -131 | 125.6 | 160.4 | -160.3 | 166.9 | 5 | 0 | 0 | 109.6 | | |
| 215 | N | 26.6 | Very low | 26 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | trans | -75.7 | 145.4 | -168.2 | -64.4 | -39.6 | 0 | 0 | 0 | 113.3 | | |
| 216 | G | 23.9 | Very low | 26.3 | Very low | 70 Ų | 70 | 138.8 Ų | 138.8 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | trans | 56.4 | 125.4 | 144.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 217 | I | 26 | Very low | 26.4 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | | -152.5 | 125.6 | 63.9 | -73.7 | 152 | 0 | 0 | 0 | 108.5 | | |
| 218 | V | 23.7 | Very low | 26.7 | Very low | 127 Ų | 127 | 138 Ų | 138 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -105.3 | 123.3 | 169.9 | 174.7 | 0 | 0 | 0 | 0 | 107.2 | S220 | V218-S220 PolarHBondContact O-N 2.96Š|
| 219 | P | 27.7 | Very low | 26.8 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | -83.2 | 110.3 | 164.6 | 6.5 | 11 | 0 | 0 | 0 | 108.9 | T221 | P219-T221 PolarHBondContact O-N 3.16Š|
| 220 | S | 23.5 | Very low | 27.4 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -62.7 | 117.9 | 172 | -45.8 | 0 | 0 | 0 | 0 | 110.9 | V218 | V218-S220 PolarHBondContact O-N 2.96Š|
| 221 | T | 29.5 | Very low | 27.6 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | trans | -137.2 | 106.8 | 146.4 | 47.1 | 0 | 0 | 0 | 0 | 109.2 | P219 | P219-T221 PolarHBondContact O-N 3.16Š|
| 222 | S | 26 | Very low | 27.9 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -76.3 | 125.1 | 170.6 | 43 | 0 | 0 | 0 | 0 | 110.6 | | |
| 223 | S | 30.8 | Very low | 28.1 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | | -179.6 | 114.9 | 127.6 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 224 | S | 30.4 | Very low | 28.4 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | trans | 59.7 | 110.9 | 136.9 | 62.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 225 | N | 29.1 | Very low | 28.5 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | | 69.6 | 110.5 | 118.7 | -61.2 | -6.5 | 0 | 0 | 0 | 120.6 | | |
| 226 | N | 31.2 | Very low | 28.6 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | | 146.3 | 102.5 | 124.3 | -73 | -29.4 | 0 | 0 | 0 | 108.1 | | |
| 227 | L | 27.6 | Very low | 28.7 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | | 47.4 | 109 | 91.4 | -60.4 | 173 | 0 | 0 | 0 | 109.9 | | |
| 228 | S | 32.4 | Very low | 29 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | | -169.9 | 143.9 | 59.9 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 229 | S | 28.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -87.4 | -166 | 161.3 | -35.4 | 0 | 0 | 0 | 0 | 110 | | |
| 230 | P | 34.6 | Very low | 29.4 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | | | cis | -134.6 | -158.5 | -40.9 | 29.4 | -6.3 | 0 | 0 | 0 | 111.8 | | |
| 231 | S | 30.2 | Very low | 29.7 | Very low | 100 Ų | 100 | 119.4 Ų | 119.4 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | trans | 98.6 | 145.4 | 155.2 | -45 | 0 | 0 | 0 | 0 | 117.1 | | |
| 232 | E | 29.6 | Very low | 29.6 | Very low | 174 Ų | 174 | 120 Ų | 120 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | cis | -177.7 | 152.2 | -12 | -107.2 | -176.4 | 147.8 | 0 | 0 | 106.2 | | |
| 233 | S | 28.3 | Very low | 29.6 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | 67.7 | 151.5 | 156.6 | 79.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 234 | S | 31 | Very low | 29.4 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | cis | -161 | 134.5 | 21.5 | 61.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 235 | I | 27.5 | Very low | 29.3 | Very low | 152 Ų | 152 | 121.6 Ų | 121.6 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | | 66.6 | 128.4 | 99.8 | -55 | 171.5 | 0 | 0 | 0 | 117.2 | | |
| 236 | C | 28.2 | Very low | 29.1 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | | | trans | 68.8 | 139 | 159.7 | -79.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 237 | G | 26.2 | Very low | 29.1 | Very low | 63 Ų | 63 | 121 Ų | 121 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | | | cis | 163.1 | 169.9 | 8.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 238 | S | 32.6 | Very low | 29.1 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | | | trans | 91.8 | 115.9 | 163.1 | -50.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 239 | A | 26.1 | Very low | 29.1 | Very low | 103 Ų | 103 | 121 Ų | 121 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -80.4 | 139.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 240 | S | 34.8 | Very low | 29 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -179.5 | 116 | 150.8 | 52.6 | 0 | 0 | 0 | 0 | 104.8 | | |
| 241 | G | 28 | Very low | 28.6 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | | 105.9 | 100.5 | 55.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 242 | L | 27.5 | Very low | 28.6 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | 72.4 | 132.7 | 151.8 | -73.8 | 150.7 | 0 | 0 | 0 | 121 | | |
| 243 | D | 26.5 | Very low | 28.4 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 67.8 | 140 | 139.2 | -75.1 | -12.5 | 0 | 0 | 0 | 118 | | |
| 244 | T | 27.6 | Very low | 28.3 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 64% | 0.644 | 78% | 0.782 | S | S | * | * | | | cis | -166.6 | 147.3 | 3.9 | 19.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 245 | T | 26.8 | Very low | 28 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | trans | 53 | 144.8 | 145.1 | 59 | 0 | 0 | 0 | 0 | 122.9 | | |
| 246 | D | 25.3 | Very low | 27.9 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | 80.3 | 100.8 | 155.9 | -66 | -12.8 | 0 | 0 | 0 | 118.6 | | |
| 247 | S | 32.3 | Very low | 27.7 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | | -161 | 108.8 | 126.2 | -78.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 248 | L | 27 | Very low | 27.6 | Very low | 174 Ų | 174 | 128.2 Ų | 128.2 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | trans | -63.7 | 137.7 | 162.9 | -67.5 | 163.1 | 0 | 0 | 0 | 110 | | |
| 249 | S | 32 | Very low | 27.1 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -167.5 | 99.3 | 154.5 | 33.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 250 | D | 26.8 | Very low | 27 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | | 81.1 | 131.8 | 85.1 | -83.8 | -18.9 | 0 | 0 | 0 | 113.4 | | |
| 251 | N | 27.2 | Very low | 26.4 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | 88.4 | 120.7 | 165.1 | -49.5 | -37.3 | 0 | 0 | 0 | 114.7 | | |
| 252 | V | 28.3 | Very low | 26.2 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | cis | -152.8 | 109.8 | 26.5 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 253 | F | 25.9 | Very low | 25.9 | Very low | 214 Ų | 214 | 130.2 Ų | 130.2 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | | | trans | -88.5 | 99.1 | 150.6 | -95.1 | -86.8 | 0 | 0 | 0 | 106.5 | | |
| 254 | G | 26.1 | Very low | 25.8 | Very low | 66 Ų | 66 | 130.8 Ų | 130.8 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | trans | -92.2 | 93 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | D256 | G254-D256 PolarHBondContact O-N 3.49Š|
| 255 | C | 25.2 | Very low | 25.6 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | -75.1 | 111.8 | 157.8 | -68.2 | 0 | 0 | 0 | 0 | 107 | | |
| 256 | D | 26.3 | Very low | 25.4 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | -151.5 | 134.9 | 152.6 | -109.3 | -21.3 | 0 | 0 | 0 | 110.4 | G254 | G254-D256 PolarHBondContact O-N 3.49Š|
| 257 | D | 24.1 | Very low | 25.3 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | | | trans | -61.3 | 135.4 | -169.2 | -74.2 | -48.8 | 0 | 0 | 0 | 113.9 | | |
| 258 | G | 23.4 | Very low | 24.7 | Very low | 67 Ų | 67 | 138.3 Ų | 138.3 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -179.8 | 60 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V260 | G258-V260 PolarHBondContact O-N 2.7Š|
| 259 | S | 22.9 | Very low | 24.5 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | 10.1 | 103.1 | 149.9 | 59.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 260 | V | 22.5 | Very low | 24 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | | | trans | -150.9 | 110 | 133.4 | -174 | 0 | 0 | 0 | 0 | 107.7 | G258 V262 | G258-V260 PolarHBondContact O-N 2.7Å; V260-V262 PolarHBondContact O-N 2.53Å |
| 261 | A | 22.1 | Very low | 23.9 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -64.3 | 101 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | M263 | A261-M263 VanDerWaalsContact C-N 3.33Å; A261-M263 PolarHBondContact O-N 3.04Å |
| 262 | V | 23.8 | Very low | 23.7 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | -77.2 | 93.9 | 167.6 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | V260 E264 | V260-V262 PolarHBondContact O-N 2.53Å; V262-E264 PolarHBondContact O-N 3.41Å |
| 263 | M | 22.7 | Very low | 23.3 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | trans | -66.1 | 100.6 | 172.9 | -160.1 | 174 | 74.6 | 0 | 0 | 107.9 | A261 R265 | A261-M263 VanDerWaalsContact C-N 3.33Å; A261-M263 PolarHBondContact O-N 3.04Å; M263-R265 PolarHBondContact O-N 3.43Å |
| 264 | E | 24.2 | Very low | 23.3 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | -55.6 | 105.1 | 170.9 | -78.5 | -175.7 | 153.2 | 0 | 0 | 108.9 | V262 F266 | V262-E264 PolarHBondContact O-N 3.41Å; E264-F266 HydrophobicContact CB-CD2 4.49Å; E264-F266 HydrophobicContact CB-CE2 3.95Å; E264-F266 HydrophobicContact CB-CZ 4.3Å; E264-F266 WeakPolarHBondContact O-CD2 3.29Å; E264-F266 PolarHBondContact O-N 3.08Å; E264-F266 VanDerWaalsContact O-N 3.13Å; E264-F266 WeakPolarHBondContact OE2-CZ 3.46Å |
| 265 | R | 22.7 | Very low | 23.2 | Very low | 218 Ų | 218 | 145.6 Ų | 145.6 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | | | trans | -76.3 | 95.1 | 171.5 | -70.5 | -171.1 | -172.3 | 178.7 | 1.8 | 108.5 | M263 S267 | M263-R265 PolarHBondContact O-N 3.43Å; R265-S267 PolarHBondContact O-N 3.45Å |
| 266 | F | 22.9 | Very low | 23.2 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -65.3 | 121.4 | 165.4 | -66.2 | -82.8 | 0 | 0 | 0 | 109.5 | E264 E268 | E264-F266 HydrophobicContact CB-CD2 4.49Å; E264-F266 HydrophobicContact CB-CE2 3.95Å; E264-F266 HydrophobicContact CB-CZ 4.3Å; E264-F266 WeakPolarHBondContact O-CD2 3.29Å; E264-F266 PolarHBondContact O-N 3.08Å; E264-F266 VanDerWaalsContact O-N 3.13Å; E264-F266 WeakPolarHBondContact OE2-CZ 3.46Å; F266-E268 PolarHBondContact O-N 3.28Å |
| 267 | S | 22.9 | Very low | 23.2 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -87.6 | 91.7 | 167.6 | -59.2 | 0 | 0 | 0 | 0 | 108.1 | R265 I269 | R265-S267 PolarHBondContact O-N 3.45Å; S267-I269 PolarHBondContact O-N 2.68Å |
| 268 | E | 20 | Very low | 23.3 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | | | trans | -70.2 | 111.1 | 174.5 | -166.1 | -171.2 | 158.8 | 0 | 0 | 109 | F266 R270 | F266-E268 PolarHBondContact O-N 3.28Å; E268-R270 IonicContact OE1-CZ 3.5Å; E268-R270 IonicContact OE1-NE 2.95Å; E268-R270 PolarHBondContact OE1-NE 3.01Å; E268-R270 IonicContact OE1-NH2 3.12Å; E268-R270 PolarHBondContact OE1-NH2 3.13Å; E268-R270 VanDerWaalsContact OE1-NH2 3.12Å |
| 269 | I | 23.1 | Very low | 23.5 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | | | trans | -106.9 | 108.7 | 171.6 | -59.6 | 177.4 | 0 | 0 | 0 | 108.1 | S267 L271 | S267-I269 PolarHBondContact O-N 2.68Å; I269-L271 HydrophobicContact CG2-CD1 4.37Å; I269-L271 HydrophobicContact CG2-CG 4.14Å |
| 270 | R | 19.9 | Very low | 23.6 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -83.2 | 118.3 | 171.6 | -64.6 | 178.5 | 179.1 | 179.4 | 1.2 | 109 | E268 | E268-R270 IonicContact OE1-CZ 3.5Å; E268-R270 IonicContact OE1-NE 2.95Å; E268-R270 PolarHBondContact OE1-NE 3.01Å; E268-R270 IonicContact OE1-NH2 3.12Å; E268-R270 PolarHBondContact OE1-NH2 3.13Å; E268-R270 VanDerWaalsContact OE1-NH2 3.12Å |
| 271 | L | 24.6 | Very low | 23.8 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -115.4 | 122.5 | 171.4 | -79.9 | 168.5 | 0 | 0 | 0 | 111.6 | I269 | I269-L271 HydrophobicContact CG2-CD1 4.37Å; I269-L271 HydrophobicContact CG2-CG 4.14Å |
| 272 | L | 23.2 | Very low | 23.9 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | trans | -66.7 | 141.4 | -177.5 | -70.3 | 145.4 | 0 | 0 | 0 | 111.6 | | |
| 273 | S | 21.1 | Very low | 24 | Very low | 116 Ų | 116 | 154.5 Ų | 154.5 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -83.5 | 118.4 | 175.9 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 274 | E | 25.8 | Very low | 24 | Very low | 169 Ų | 169 | 156.3 Ų | 156.3 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -137.4 | 110.5 | 167.7 | -75.1 | -167.7 | 158.1 | 0 | 0 | 112.5 | S276 | E274-S276 PolarHBondContact O-N 2.8Å; E274-S276 VanDerWaalsContact O-N 3.12Å |
| 275 | N | 23.3 | Very low | 24.2 | Very low | 172 Ų | 172 | 155.2 Ų | 155.2 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | | | trans | -42.7 | 106 | 147.3 | -70.1 | -37.4 | 0 | 0 | 0 | 110.2 | | |
| 276 | S | 25 | Very low | 24.4 | Very low | 91 Ų | 91 | 151.7 Ų | 151.7 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | | | trans | 175.5 | 153.7 | 148.1 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | E274 | E274-S276 PolarHBondContact O-N 2.8Å; E274-S276 VanDerWaalsContact O-N 3.12Å |
| 277 | L | 27.7 | Very low | 24.6 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | | | trans | 96.3 | 75 | 170.2 | -47.9 | 177.3 | 0 | 0 | 0 | 116.3 | | |
| 278 | N | 25.2 | Very low | 24.7 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | trans | -72.3 | 122.1 | 157.3 | -81.1 | -40.8 | 0 | 0 | 0 | 110.5 | | |
| 279 | L | 28.6 | Very low | 24.8 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | -147.7 | 112.2 | 158.7 | -125.1 | 124.3 | 0 | 0 | 0 | 110.6 | | |
| 280 | S | 24.3 | Very low | 24.8 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -85 | 125 | -175.3 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 281 | Q | 26.4 | Very low | 24.9 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | trans | -115.9 | 120.5 | 164.1 | -73.5 | -175.4 | -1 | 0 | 0 | 109.5 | | |
| 282 | S | 24.7 | Very low | 24.9 | Very low | 110 Ų | 110 | 147.5 Ų | 147.5 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 121.9 | 176.9 | 72.6 | 0 | 0 | 0 | 0 | 111 | | |
| 283 | L | 24.7 | Very low | 24.9 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 118.8 | 164.2 | -91.9 | 136 | 0 | 0 | 0 | 109.2 | | |
| 284 | K | 24.5 | Very low | 25 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 125.3 | 165.9 | -82.6 | -177 | 175.8 | 178.5 | 0 | 109.1 | | |
| 285 | T | 27.2 | Very low | 24.8 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 120.4 | 172 | 47.9 | 0 | 0 | 0 | 0 | 110 | | |
| 286 | N | 26.2 | Very low | 24.8 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | -124.6 | 99.7 | 169.2 | -92.8 | -4.6 | 0 | 0 | 0 | 108.5 | | |
| 287 | G | 27.3 | Very low | 24.9 | Very low | 66 Ų | 66 | 143.2 Ų | 143.2 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.9 | 179.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | H289 | G287-H289 PolarHBondContact O-N 3Š|
| 288 | D | 25.4 | Very low | 24.7 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 19.5 | -170.5 | -65 | -37.7 | 0 | 0 | 0 | 115.8 | | |
| 289 | H | 22.8 | Very low | 24.8 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -132.1 | 104.8 | 180 | -62 | -36.3 | 0 | 0 | 0 | 110.6 | G287 Q291 | G287-H289 PolarHBondContact O-N 3Å; H289-Q291 PolarHBondContact O-N 3.15Å; H289-Q291 VanDerWaalsContact O-N 3.16Å |
| 290 | C | 23.4 | Very low | 24.6 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | -78.2 | 92.2 | 167.3 | -69.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 291 | Q | 21.7 | Very low | 24.5 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -86.6 | 115.8 | 165.2 | -91.1 | -176.5 | -1.8 | 0 | 0 | 110.3 | H289 N293 | H289-Q291 PolarHBondContact O-N 3.15Å; H289-Q291 VanDerWaalsContact O-N 3.16Å; Q291-N293 PolarHBondContact O-N 3.23Å; Q291-N293 VanDerWaalsContact O-N 3.16Å |
| 292 | L | 23.5 | Very low | 24.5 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -68.3 | 103.4 | 162.9 | -102.1 | 150.9 | 0 | 0 | 0 | 108.3 | C294 | L292-C294 VanDerWaalsContact C-N 3.31Å; L292-C294 PolarHBondContact O-N 3.31Å |
| 293 | N | 23.7 | Very low | 24.5 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | -74.6 | 86 | 174.2 | -127.9 | 6.5 | 0 | 0 | 0 | 108.8 | Q291 A295 | Q291-N293 PolarHBondContact O-N 3.23Å; Q291-N293 VanDerWaalsContact O-N 3.16Å; N293-A295 PolarHBondContact O-N 3.22Å |
| 294 | C | 23 | Very low | 24.6 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -76.7 | 71.4 | 169.1 | -71.8 | 0 | 0 | 0 | 0 | 109.4 | L292 | L292-C294 VanDerWaalsContact C-N 3.31Å; L292-C294 PolarHBondContact O-N 3.31Å |
| 295 | A | 22.5 | Very low | 24.6 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 57% | 0.57 | 78% | 0.776 | S | S | * | * | | | trans | -104.1 | 109.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | N293 | N293-A295 PolarHBondContact O-N 3.22Š|
| 296 | T | 23.8 | Very low | 24.6 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | 58.9 | 86.4 | 153.1 | 34.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 297 | I | 26.4 | Very low | 24.6 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 89% | 0.892 | 77% | 0.768 | S | S | * | * | | | trans | -90.8 | 98.7 | 148.7 | -60.6 | 176.2 | 0 | 0 | 0 | 106.1 | | |
| 298 | L | 24.3 | Very low | 24.7 | Very low | 129 Ų | 129 | 139 Ų | 139 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | | | trans | -60.3 | 142.6 | 168.8 | -89 | 128.4 | 0 | 0 | 0 | 109.8 | E300 | L298-E300 VanDerWaalsContact C-N 3.27Å; L298-E300 PolarHBondContact O-N 3.07Å |
| 299 | P | 26.3 | Very low | 24.9 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -83.6 | 68.2 | -174.1 | 36.3 | -34 | 0 | 0 | 0 | 110 | | |
| 300 | E | 23.9 | Very low | 25.2 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -137.8 | 113.6 | 175.3 | -74.6 | -171.6 | 164.1 | 0 | 0 | 111.1 | L298 | L298-E300 VanDerWaalsContact C-N 3.27Å; L298-E300 PolarHBondContact O-N 3.07Å |
| 301 | G | 23.9 | Very low | 25.6 | Very low | 63 Ų | 63 | 138 Ų | 138 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | | | trans | 92.8 | 96.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 302 | Y | 25.5 | Very low | 26.1 | Very low | 234 Ų | 234 | 136.1 Ų | 136.1 | 92% | 0.918 | 75% | 0.745 | S | S | * | * | | | | -172.6 | 78.7 | 126.6 | -90.7 | -67.8 | 0 | 0 | 0 | 107.2 | A304 | Y302-A304 VanDerWaalsContact C-N 3.28Å; Y302-A304 PolarHBondContact O-N 3.1Å |
| 303 | S | 23.8 | Very low | 26.5 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | -80.6 | 81 | 161.9 | -168.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 304 | A | 27.4 | Very low | 26.9 | Very low | 81 Ų | 81 | 136.9 Ų | 136.9 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | trans | -94 | 87.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y302 L306 | Y302-A304 VanDerWaalsContact C-N 3.28Å; Y302-A304 PolarHBondContact O-N 3.1Å; A304-L306 PolarHBondContact O-N 2.64Å |
| 305 | R | 24.7 | Very low | 27.4 | Very low | 228 Ų | 228 | 140.4 Ų | 140.4 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | | | trans | -53.6 | 110.6 | 164.2 | -82 | 177.3 | 166.5 | 170 | -4.5 | 107.5 | P307 | R305-P307 WeakPolarHBondContact O-CD 3.28Š|
| 306 | L | 27.6 | Very low | 27.8 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | | | trans | -74.2 | 107.2 | 163.1 | -76.7 | 164.6 | 0 | 0 | 0 | 107 | A304 N308 L309 | A304-L306 PolarHBondContact O-N 2.64Å; L306-N308 PolarHBondContact O-N 3.46Å; L306-L309 HydrophobicContact CB-CD1 3.95Å; L306-L309 HydrophobicContact CD1-CD1 3.56Å; L306-L309 HydrophobicContact CG-CD1 4.39Å |
| 307 | P | 24.9 | Very low | 28.1 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 128.7 | 171.7 | 29.7 | -22.4 | 0 | 0 | 0 | 107.2 | R305 | R305-P307 WeakPolarHBondContact O-CD 3.28Š|
| 308 | N | 30.1 | Very low | 28.3 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 67% | 0.668 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.1 | 17.3 | 173.9 | -47 | -38.5 | 0 | 0 | 0 | 118.8 | L306 D310 | L306-N308 PolarHBondContact O-N 3.46Å; N308-D310 PolarHBondContact O-N 3.41Å |
| 309 | L | 28.9 | Very low | 28.6 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 55% | 0.55 | 77% | 0.768 | S | S | . | * | G | 310 helix | trans | -72.3 | -16.2 | 164.1 | -90.5 | 162.7 | 0 | 0 | 0 | 113.3 | L306 K311 | L306-L309 HydrophobicContact CB-CD1 3.95Å; L306-L309 HydrophobicContact CD1-CD1 3.56Å; L306-L309 HydrophobicContact CG-CD1 4.39Å; L309-K311 PolarHBondContact O-N 3.37Å |
| 310 | D | 29.5 | Very low | 28.8 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -76.5 | 1 | 175.9 | -63.5 | -33.3 | 0 | 0 | 0 | 114 | N308 | N308-D310 PolarHBondContact O-N 3.41Š|
| 311 | K | 32.5 | Very low | 29.2 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -110.2 | 5.6 | -176.9 | -130.3 | -179.2 | -175.9 | -171.8 | 0 | 115.3 | L309 | L309-K311 PolarHBondContact O-N 3.37Š|
| 312 | I | 32.1 | Very low | 29.5 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -110.5 | 3.9 | 178.6 | -58.4 | 176.6 | 0 | 0 | 0 | 111.4 | | |
| 313 | I | 32.2 | Very low | 29.9 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -101.6 | 5 | -177.5 | -62.3 | 175.8 | 0 | 0 | 0 | 112.4 | | |
| 314 | E | 32.6 | Very low | 30.1 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -115.2 | 14.9 | -174 | -113.4 | -179.2 | 178.8 | 0 | 0 | 116.2 | | |
| 315 | E | 32.1 | Very low | 30.3 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -124.3 | 24.2 | 178.1 | -75.1 | -168.9 | 166.1 | 0 | 0 | 114.7 | | |
| 316 | T | 31.6 | Very low | 30.5 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -123.3 | 15.6 | 173.5 | -10.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 317 | E | 30.1 | Very low | 30.8 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -126.2 | 55.5 | -179.5 | -62.8 | -166.7 | 166.7 | 0 | 0 | 112.8 | | |
| 318 | S | 30.5 | Very low | 31.1 | Very low | 108 Ų | 108 | 150.7 Ų | 150.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -169.7 | 80.2 | 161.5 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 319 | E | 31.5 | Very low | 31.1 | Very low | 189 Ų | 189 | 148.1 Ų | 148.1 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -163.3 | 65.5 | 147.1 | -116.5 | 176.7 | -174.7 | 0 | 0 | 109.7 | D321 | E319-D321 PolarHBondContact O-N 2.97Š|
| 320 | T | 29.9 | Very low | 31.4 | Very low | 142 Ų | 142 | 151.4 Ų | 151.4 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | | | trans | -78.2 | 95.1 | 144.9 | 46.4 | 0 | 0 | 0 | 0 | 107 | | |
| 321 | D | 31.9 | Very low | 31.7 | Very low | 125 Ų | 125 | 152 Ų | 152 | 67% | 0.668 | 80% | 0.797 | S | S | * | * | | | trans | -125.6 | 89.2 | 162 | -148.2 | -14.2 | 0 | 0 | 0 | 110.3 | E319 S323 | E319-D321 PolarHBondContact O-N 2.97Å; D321-S323 VanDerWaalsContact C-N 3.3Å; D321-S323 PolarHBondContact O-N 2.73Å; D321-S323 VanDerWaalsContact O-N 3.16Å; D321-S323 PolarHBondContact OD1-OG 3.12Å |
| 322 | N | 29.5 | Very low | 32 | Very low | 165 Ų | 165 | 151 Ų | 151 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | -75.3 | 81.4 | 163.9 | -78.8 | -41 | 0 | 0 | 0 | 108.3 | | |
| 323 | S | 33.7 | Very low | 32.3 | Very low | 81 Ų | 81 | 151.5 Ų | 151.5 | 57% | 0.566 | 80% | 0.799 | S | S | * | * | | | trans | -170.7 | 137.7 | 154.9 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | D321 | D321-S323 VanDerWaalsContact C-N 3.3Å; D321-S323 PolarHBondContact O-N 2.73Å; D321-S323 VanDerWaalsContact O-N 3.16Å; D321-S323 PolarHBondContact OD1-OG 3.12Å |
| 324 | R | 29.3 | Very low | 32.4 | Very low | 233 Ų | 233 | 148.4 Ų | 148.4 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | | | trans | 45 | 123.6 | 144.2 | -71.9 | 174.2 | 162.9 | 172.4 | -4.5 | 116.3 | | |
| 325 | I | 31.1 | Very low | 32.5 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | | -161.7 | 125 | 81.2 | -84 | 147.8 | 0 | 0 | 0 | 108.7 | | |
| 326 | A | 29.4 | Very low | 32.9 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | | | trans | -65.4 | 148.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 327 | S | 33 | Very low | 33.2 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | 170.1 | 89.4 | 134.7 | -76 | 0 | 0 | 0 | 0 | 112.5 | | |
| 328 | Y | 32.4 | Very low | 33.8 | Very low | 247 Ų | 247 | 149.5 Ų | 149.5 | 97% | 0.969 | 80% | 0.799 | S | S | * | * | | | trans | -134.8 | 111.5 | 130 | -81.6 | -89 | 0 | 0 | 0 | 102.3 | | |
| 329 | G | 29.9 | Very low | 34.3 | Very low | 72 Ų | 72 | 152.3 Ų | 152.3 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | cis | 108.6 | 44.3 | 34 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 330 | I | 35.1 | Very low | 34.8 | Very low | 174 Ų | 174 | 152.1 Ų | 152.1 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | | | trans | -135.6 | 121.7 | 157.1 | -58.7 | -177.1 | 0 | 0 | 0 | 108.1 | | |
| 331 | E | 36.6 | Very low | 35.3 | Very low | 161 Ų | 161 | 157.1 Ų | 157.1 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -67.4 | 136.9 | -172.6 | -54.1 | 169.2 | 147.9 | 0 | 0 | 111.6 | | |
| 332 | H | 37.6 | Very low | 35.8 | Very low | 155 Ų | 155 | 155.1 Ų | 155.1 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | | | | 163.3 | 101.8 | 103.2 | -109.8 | -77 | 0 | 0 | 0 | 111.5 | | |
| 333 | N | 38.7 | Very low | 36.4 | Very low | 144 Ų | 144 | 159.1 Ų | 159.1 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | trans | 27.6 | 104.8 | 139.8 | -66.7 | -16.5 | 0 | 0 | 0 | 119 | | |
| 334 | G | 34.2 | Very low | 37.1 | Very low | 74 Ų | 74 | 164.6 Ų | 164.6 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -69.2 | 144.5 | 137.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 335 | S | 34.9 | Very low | 37.5 | Very low | 112 Ų | 112 | 161.2 Ų | 161.2 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | | | trans | 70.9 | 106 | 166 | -158.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 336 | M | 40 | Very low | 37.9 | Very low | 172 Ų | 172 | 161 Ų | 161 | 85% | 0.847 | 84% | 0.839 | S | S | * | * | | | | 172.1 | 125.3 | 116 | -86 | -101.5 | -93.3 | 0 | 0 | 110.9 | | |
| 337 | R | 37.8 | Very low | 38.4 | Very low | 235 Ų | 235 | 165.3 Ų | 165.3 | 89% | 0.887 | 85% | 0.847 | S | S | * | * | | | trans | -13.9 | 128.6 | 157.5 | -74.9 | 169.1 | 159.2 | 165.4 | -6.3 | 116.6 | | |
| 338 | K | 43.6 | Very low | 38.7 | Very low | 188 Ų | 188 | 168.3 Ų | 168.3 | 82% | 0.817 | 85% | 0.85 | S | S | * | * | | | | 161 | 104.9 | 124.1 | -88.4 | 172.1 | -178 | -177.7 | 0 | 107.3 | | |
| 339 | E | 39.6 | Very low | 39.1 | Very low | 167 Ų | 167 | 163.4 Ų | 163.4 | 78% | 0.78 | 84% | 0.843 | S | S | * | * | | | | 69.9 | 128.7 | 92.9 | -154.5 | -171.6 | 171.9 | 0 | 0 | 113.5 | | |
| 340 | K | 42.9 | Very low | 39.7 | Very low | 186 Ų | 186 | 169.5 Ų | 169.5 | 81% | 0.809 | 85% | 0.849 | S | S | * | * | | | trans | 94.3 | 94.2 | 169.4 | -59.2 | -175.1 | 177.1 | 175 | 0 | 118.1 | | |
| 341 | R | 39.4 | Very low | 40 | Very low | 247 Ų | 247 | 169.1 Ų | 169.1 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | | | | -161.6 | 102 | 120.1 | -103 | 172.4 | -175.9 | -165.1 | 1.3 | 106.7 | | |
| 342 | A | 42.3 | Very low | 40.3 | Very low | 82 Ų | 82 | 169.8 Ų | 169.8 | 68% | 0.678 | 85% | 0.853 | S | S | * | * | | | | 74.5 | 105.9 | 74.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 343 | R | 42.3 | Very low | 40.5 | Very low | 249 Ų | 249 | 171 Ų | 171 | 94% | 0.94 | 87% | 0.865 | S | S | * | * | | | trans | 63 | 94.4 | 136.1 | -58.8 | -179.6 | 176.3 | -169.9 | -2.2 | 118 | | |
| 344 | S | 50.1 | Low | 40.7 | Very low | 196 Ų | 196 | 173.5 Ų | 173.5 | 100% | 1.371 | 87% | 0.873 | S | S | * | * | | | | -176.3 | 0 | 100 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | | |