| 1 | M | 47.8 | Very low | 51.8 | Low | 218 Ų | 218 | 179.1 Ų | 179.1 | 100% | 1.074 | 81% | 0.813 | S | S | * | * | | | | 0 | 133.4 | 0 | -92.9 | 167.1 | 162.7 | 0 | 0 | 109.4 | | |
| 2 | K | 52.6 | Low | 51.4 | Low | 216 Ų | 216 | 168.7 Ų | 168.7 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | | | trans | -103.2 | 118.3 | 171.5 | -73.9 | -177.3 | 178.1 | 178.6 | 0 | 108.3 | | |
| 3 | Y | 52.3 | Low | 50.9 | Low | 211 Ų | 211 | 170.2 Ų | 170.2 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -81.7 | 134.2 | 174.2 | -68.9 | -87.9 | 0 | 0 | 0 | 110.3 | | |
| 4 | K | 53.8 | Low | 50.4 | Low | 205 Ų | 205 | 169.3 Ų | 169.3 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | | | trans | -105.5 | 110.5 | 177.4 | -159 | 174.3 | -172.8 | 179 | 0 | 108.2 | R6 | K4-R6 PolarHBondContact O-N 3.29Š|
| 5 | K | 56 | Low | 50.4 | Low | 204 Ų | 204 | 164.4 Ų | 164.4 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 120.1 | 176.9 | -164.6 | 171.7 | -174.7 | 175.6 | 0 | 109 | | |
| 6 | R | 53.1 | Low | 50.5 | Low | 222 Ų | 222 | 160.7 Ų | 160.7 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -71 | 131.4 | 169.7 | -65 | -172.6 | -167.6 | 179 | 6.3 | 108 | K4 S8 | K4-R6 PolarHBondContact O-N 3.29Å; R6-S8 PolarHBondContact O-N 3.16Å |
| 7 | K | 45 | Very low | 50.2 | Low | 200 Ų | 200 | 158.1 Ų | 158.1 | 87% | 0.87 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 118.4 | 169.3 | -72 | -175.2 | 176.3 | -176.9 | 0 | 107 | K9 | K7-K9 PolarHBondContact O-N 3.42Å; K7-K9 VanDerWaalsContact O-N 3.16Å |
| 8 | S | 52.3 | Low | 50.1 | Low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 116.6 | 167.4 | -175.6 | 0 | 0 | 0 | 0 | 107.7 | R6 | R6-S8 PolarHBondContact O-N 3.16Š|
| 9 | K | 54.8 | Low | 49.8 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -87 | 117.7 | 167.7 | -80.3 | -174.2 | 176.3 | -177.4 | 0 | 106.5 | K7 L11 | K7-K9 PolarHBondContact O-N 3.42Å; K7-K9 VanDerWaalsContact O-N 3.16Å; K9-L11 PolarHBondContact O-N 2.87Å; K9-L11 VanDerWaalsContact O-N 3.1Å |
| 10 | L | 49 | Very low | 49.5 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | | | trans | -63.3 | 108.8 | 164.4 | -83.9 | 149.3 | 0 | 0 | 0 | 107.5 | | |
| 11 | L | 53.2 | Low | 49.6 | Very low | 40 Ų | 40 | 148.7 Ų | 148.7 | 21% | 0.209 | 70% | 0.695 | C | S | . | * | | | trans | -77.9 | 143.1 | 170.5 | -68.1 | 167.7 | 0 | 0 | 0 | 109.2 | K9 E15 K16 | K9-L11 PolarHBondContact O-N 2.87Å; K9-L11 VanDerWaalsContact O-N 3.1Å; L11-E15 HydrophobicContact CB-CB 4.01Å; L11-E15 HydrophobicContact CD2-CB 4.12Å; L11-E15 HydrophobicContact CD2-CG 4.49Å; L11-K16 HydrophobicContact CB-CG 4Å |
| 12 | S | 47.6 | Very low | 49.4 | Very low | 54 Ų | 54 | 145.9 Ų | 145.9 | 38% | 0.378 | 68% | 0.679 | S | S | . | * | | | trans | -62.3 | 158.1 | 171.3 | 80.5 | 0 | 0 | 0 | 0 | 110.4 | E14 E15 K16 | S12-E14 PolarHBondContact O-N 3.03Å; S12-E15 PolarHBondContact N-OE2 3.01Å; S12-E15 PolarHBondContact O-N 3.41Å; S12-E15 VanDerWaalsContact O-N 3.1Å; S12-E15 PolarHBondContact OG-N 2.9Å; S12-E15 VanDerWaalsContact OG-N 3.13Å; S12-K16 PolarHBondContact O-N 3.21Å |
| 13 | W | 43.7 | Very low | 49.1 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 71% | 0.712 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -56 | -38.5 | 176.7 | 179.1 | -99.5 | 0 | 0 | 0 | 112 | K16 L17 | W13-K16 PolarHBondContact O-N 3.13Å; W13-L17 HydrophobicContact CD2-CD1 4.48Å; W13-L17 HydrophobicContact CG-CD1 4.48Å; W13-L17 HydrophobicContact CZ2-CD1 4.15Å; W13-L17 WeakPolarHBondContact O-CG 3.29Å; W13-L17 PolarHBondContact O-N 3.1Å |
| 14 | E | 44.1 | Very low | 48.7 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 74% | 0.738 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.7 | -38.2 | 177 | -64.7 | 174.8 | 157.1 | 0 | 0 | 111.8 | S12 K16 L17 G18 | S12-E14 PolarHBondContact O-N 3.03Å; E14-K16 VanDerWaalsContact C-N 3.35Å; E14-L17 PolarHBondContact O-N 3.4Å; E14-G18 PolarHBondContact O-N 3.27Å |
| 15 | E | 51 | Low | 48.1 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 45% | 0.449 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.2 | -35 | 172.8 | -77.7 | -179.7 | 116.6 | 0 | 0 | 112.3 | L11 S12 R19 | L11-E15 HydrophobicContact CB-CB 4.01Å; L11-E15 HydrophobicContact CD2-CB 4.12Å; L11-E15 HydrophobicContact CD2-CG 4.49Å; S12-E15 PolarHBondContact N-OE2 3.01Å; S12-E15 PolarHBondContact O-N 3.41Å; S12-E15 VanDerWaalsContact O-N 3.1Å; S12-E15 PolarHBondContact OG-N 2.9Å; S12-E15 VanDerWaalsContact OG-N 3.13Å; E15-R19 WeakPolarHBondContact O-CG 3.36Å; E15-R19 PolarHBondContact O-N 3.1Å; E15-R19 VanDerWaalsContact O-N 3.15Å |
| 16 | K | 51.9 | Low | 47.5 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 46% | 0.457 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69 | -36.9 | 176.3 | -75.7 | -176.9 | 178.9 | -176.1 | 0 | 112.6 | L11 S12 W13 E14 | L11-K16 HydrophobicContact CB-CG 4Å; S12-K16 PolarHBondContact O-N 3.21Å; W13-K16 PolarHBondContact O-N 3.13Å; E14-K16 VanDerWaalsContact C-N 3.35Å |
| 17 | L | 45.1 | Very low | 46.9 | Very low | 117 Ų | 117 | 123 Ų | 123 | 61% | 0.613 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -81.4 | -30.3 | 176.8 | -69.9 | -179.2 | 0 | 0 | 0 | 112.9 | W13 E14 | W13-L17 HydrophobicContact CD2-CD1 4.48Å; W13-L17 HydrophobicContact CG-CD1 4.48Å; W13-L17 HydrophobicContact CZ2-CD1 4.15Å; W13-L17 WeakPolarHBondContact O-CG 3.29Å; W13-L17 PolarHBondContact O-N 3.1Å; E14-L17 PolarHBondContact O-N 3.4Å |
| 18 | G | 47.8 | Very low | 46.6 | Very low | 66 Ų | 66 | 121.3 Ų | 121.3 | 68% | 0.68 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -76.4 | -23.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E14 Q20 | E14-G18 PolarHBondContact O-N 3.27Å; G18-Q20 PolarHBondContact O-N 3.43Å |
| 19 | R | 45.6 | Very low | 45.9 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 49% | 0.491 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -75.4 | 108.6 | 162.7 | -71.2 | -178.5 | -173.4 | -171.4 | 2.4 | 107.1 | E15 I21 D41 | E15-R19 WeakPolarHBondContact O-CG 3.36Å; E15-R19 PolarHBondContact O-N 3.1Å; E15-R19 VanDerWaalsContact O-N 3.15Å; R19-I21 PolarHBondContact O-N 3.45Å; R19-D41 IonicContact NH1-OD2 3.58Å |
| 20 | Q | 43.3 | Very low | 45 | Very low | 186 Ų | 186 | 120.1 Ų | 120.1 | 87% | 0.869 | 62% | 0.616 | S | S | * | * | | | trans | -57.4 | 89.9 | 168.4 | -166.7 | 176 | 28.1 | 0 | 0 | 107.7 | G18 Q22 | G18-Q20 PolarHBondContact O-N 3.43Å; Q20-Q22 PolarHBondContact O-N 2.89Å |
| 21 | I | 51.6 | Low | 44.6 | Very low | 52 Ų | 52 | 120.4 Ų | 120.4 | 27% | 0.267 | 61% | 0.613 | S | S | . | * | | | trans | -64.1 | 108.4 | 172.4 | -63.9 | 172.3 | 0 | 0 | 0 | 104.3 | R19 F23 | R19-I21 PolarHBondContact O-N 3.45Å; I21-F23 VanDerWaalsContact C-N 3.27Å; I21-F23 HydrophobicContact CB-CD2 4.44Å; I21-F23 HydrophobicContact CB-CE1 4.31Å; I21-F23 HydrophobicContact CB-CE2 3.89Å; I21-F23 HydrophobicContact CB-CZ 3.82Å; I21-F23 HydrophobicContact CD1-CZ 4.43Å; I21-F23 HydrophobicContact CG2-CD1 3.95Å; I21-F23 HydrophobicContact CG2-CD2 4.31Å; I21-F23 HydrophobicContact CG2-CE1 3.65Å; I21-F23 HydrophobicContact CG2-CE2 4.03Å; I21-F23 HydrophobicContact CG2-CG 4.27Å; I21-F23 HydrophobicContact CG2-CZ 3.69Å; I21-F23 WeakPolarHBondContact O-CD2 3.44Å; I21-F23 WeakPolarHBondContact O-CE2 3.46Å; I21-F23 PolarHBondContact O-N 3.07Å |
| 22 | Q | 42.7 | Very low | 43.9 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 74% | 0.743 | 64% | 0.641 | S | S | * | * | | | trans | -71.8 | 93.7 | 173.9 | -140.1 | 174.4 | 23.6 | 0 | 0 | 106.1 | Q20 V24 | Q20-Q22 PolarHBondContact O-N 2.89Å; Q22-V24 PolarHBondContact O-N 3.4Å |
| 23 | F | 48.1 | Very low | 43.8 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | | | trans | -70 | 99.9 | 172.2 | -61.2 | -80.3 | 0 | 0 | 0 | 107.2 | I21 N25 | I21-F23 VanDerWaalsContact C-N 3.27Å; I21-F23 HydrophobicContact CB-CD2 4.44Å; I21-F23 HydrophobicContact CB-CE1 4.31Å; I21-F23 HydrophobicContact CB-CE2 3.89Å; I21-F23 HydrophobicContact CB-CZ 3.82Å; I21-F23 HydrophobicContact CD1-CZ 4.43Å; I21-F23 HydrophobicContact CG2-CD1 3.95Å; I21-F23 HydrophobicContact CG2-CD2 4.31Å; I21-F23 HydrophobicContact CG2-CE1 3.65Å; I21-F23 HydrophobicContact CG2-CE2 4.03Å; I21-F23 HydrophobicContact CG2-CG 4.27Å; I21-F23 HydrophobicContact CG2-CZ 3.69Å; I21-F23 WeakPolarHBondContact O-CD2 3.44Å; I21-F23 WeakPolarHBondContact O-CE2 3.46Å; I21-F23 PolarHBondContact O-N 3.07Å; F23-N25 PolarHBondContact O-N 3.45Å |
| 24 | V | 44 | Very low | 43.8 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 49% | 0.491 | 66% | 0.659 | S | S | . | * | | | trans | -75.8 | 104.1 | 166.4 | -176.3 | 0 | 0 | 0 | 0 | 106.2 | Q22 V26 L34 | Q22-V24 PolarHBondContact O-N 3.4Å; V24-V26 VanDerWaalsContact C-N 3.33Å; V24-V26 HydrophobicContact CG1-CG2 4.06Å; V24-V26 PolarHBondContact O-N 3.39Å; V24-L34 HydrophobicContact CB-CD1 4.35Å; V24-L34 HydrophobicContact CG1-CD1 4.28Å; V24-L34 HydrophobicContact CG2-CD1 4.23Å |
| 25 | N | 41 | Very low | 43.5 | Very low | 133 Ų | 133 | 127 Ų | 127 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | | | trans | -66.5 | 100.7 | 163.3 | -125.9 | 20.8 | 0 | 0 | 0 | 105.7 | F23 D27 | F23-N25 PolarHBondContact O-N 3.45Å; N25-D27 PolarHBondContact O-N 2.79Å |
| 26 | V | 43.3 | Very low | 43.2 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 66% | 0.655 | 68% | 0.676 | S | S | * | * | | | trans | -76.5 | 76 | 170.5 | -172.6 | 0 | 0 | 0 | 0 | 106.1 | V24 N28 | V24-V26 VanDerWaalsContact C-N 3.33Å; V24-V26 HydrophobicContact CG1-CG2 4.06Å; V24-V26 PolarHBondContact O-N 3.39Å; V26-N28 PolarHBondContact O-N 3.44Å |
| 27 | D | 38.8 | Very low | 42.7 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | | | trans | -64.2 | 120.3 | 162.8 | -81.1 | -37.5 | 0 | 0 | 0 | 106.1 | N25 T29 | N25-D27 PolarHBondContact O-N 2.79Å; D27-T29 PolarHBondContact O-N 2.94Å; D27-T29 PolarHBondContact O-OG1 3.28Å |
| 28 | N | 40.6 | Very low | 42.6 | Very low | 164 Ų | 164 | 131.8 Ų | 131.8 | 88% | 0.877 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -60.6 | 58.3 | -174.4 | -82.6 | -19 | 0 | 0 | 0 | 114.2 | V26 | V26-N28 PolarHBondContact O-N 3.44Š|
| 29 | T | 36.2 | Very low | 42.4 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 68% | 0.681 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -138.7 | 110 | 177.7 | 18.2 | 0 | 0 | 0 | 0 | 106.6 | D27 | D27-T29 PolarHBondContact O-N 2.94Å; D27-T29 PolarHBondContact O-OG1 3.28Å |
| 30 | D | 36.7 | Very low | 42.4 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 75.1 | 128.5 | -178.7 | -60.2 | -28 | 0 | 0 | 0 | 116.6 | N32 | D30-N32 PolarHBondContact O-N 3.04Š|
| 31 | E | 39.9 | Very low | 42.4 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | | | trans | -63.5 | 52.1 | 179 | -57.8 | 177.9 | 144.4 | 0 | 0 | 112.8 | Y33 | E31-Y33 VanDerWaalsContact C-N 3.31Å; E31-Y33 HydrophobicContact CB-CE2 4.37Å; E31-Y33 WeakPolarHBondContact O-CD2 3.38Å; E31-Y33 PolarHBondContact O-N 3.1Å |
| 32 | N | 39.1 | Very low | 42.1 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | | | trans | -82 | 84 | 174.1 | -105.4 | -4.1 | 0 | 0 | 0 | 109.1 | D30 L34 | D30-N32 PolarHBondContact O-N 3.04Å; N32-L34 PolarHBondContact O-N 3.13Å |
| 33 | Y | 44.3 | Very low | 42.2 | Very low | 202 Ų | 202 | 125.5 Ų | 125.5 | 79% | 0.792 | 69% | 0.687 | S | S | * | * | | | trans | -50.4 | 111.5 | 160.6 | -70.6 | -92.3 | 0 | 0 | 0 | 108.5 | E31 S35 | E31-Y33 VanDerWaalsContact C-N 3.31Å; E31-Y33 HydrophobicContact CB-CE2 4.37Å; E31-Y33 WeakPolarHBondContact O-CD2 3.38Å; E31-Y33 PolarHBondContact O-N 3.1Å; Y33-S35 PolarHBondContact O-N 3.08Å |
| 34 | L | 43.9 | Very low | 42.1 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 67% | 0.67 | 68% | 0.683 | S | S | * | * | | | trans | -61.4 | 110.4 | 164 | -74.5 | 164.8 | 0 | 0 | 0 | 106.7 | V24 N32 A36 | V24-L34 HydrophobicContact CB-CD1 4.35Å; V24-L34 HydrophobicContact CG1-CD1 4.28Å; V24-L34 HydrophobicContact CG2-CD1 4.23Å; N32-L34 PolarHBondContact O-N 3.13Å; L34-A36 PolarHBondContact O-N 2.92Å; L34-A36 VanDerWaalsContact O-N 3.16Å |
| 35 | S | 38.2 | Very low | 41.9 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | | | trans | -50.4 | 120.6 | 177.4 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | Y33 D37 | Y33-S35 PolarHBondContact O-N 3.08Å; S35-D37 PolarHBondContact O-N 3.47Å |
| 36 | A | 44.4 | Very low | 42 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 16.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | L34 | L34-A36 PolarHBondContact O-N 2.92Å; L34-A36 VanDerWaalsContact O-N 3.16Å |
| 37 | D | 42 | Very low | 41.8 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 83% | 0.829 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -8.5 | -173.6 | -82.2 | -34.6 | 0 | 0 | 0 | 114.1 | S35 | S35-D37 PolarHBondContact O-N 3.47Š|
| 38 | E | 43.2 | Very low | 41.8 | Very low | 160 Ų | 160 | 127 Ų | 127 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -118 | 125.3 | 168.4 | -78.1 | -167.7 | 147.1 | 0 | 0 | 111.2 | T40 | E38-T40 VanDerWaalsContact C-N 3.25Å; E38-T40 PolarHBondContact O-N 2.87Å |
| 39 | P | 44.4 | Very low | 41.7 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | | | trans | -72.3 | 85.1 | 174.1 | 30.4 | -32.6 | 0 | 0 | 0 | 109.1 | D41 | P39-D41 PolarHBondContact O-N 3.16Š|
| 40 | T | 44.5 | Very low | 41.9 | Very low | 74 Ų | 74 | 122.6 Ų | 122.6 | 45% | 0.454 | 67% | 0.671 | S | S | . | * | | | trans | -76.2 | 115.3 | 167.6 | -53.1 | 0 | 0 | 0 | 0 | 107.5 | E38 V42 | E38-T40 VanDerWaalsContact C-N 3.25Å; E38-T40 PolarHBondContact O-N 2.87Å; T40-V42 HydrophobicContact CG2-CG2 3.95Å; T40-V42 PolarHBondContact O-N 2.83Å |
| 41 | D | 43.8 | Very low | 42.2 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | | | trans | -66.7 | 79.6 | 171.4 | -79.2 | -31.9 | 0 | 0 | 0 | 108.9 | R19 P39 T43 | R19-D41 IonicContact NH1-OD2 3.58Å; P39-D41 PolarHBondContact O-N 3.16Å; D41-T43 PolarHBondContact O-N 3.04Å; D41-T43 VanDerWaalsContact O-N 3.16Å |
| 42 | V | 45.1 | Very low | 42.2 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | | | trans | -76.2 | 104.2 | 178.3 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | T40 I44 | T40-V42 HydrophobicContact CG2-CG2 3.95Å; T40-V42 PolarHBondContact O-N 2.83Å; V42-I44 HydrophobicContact CG1-CG1 4.24Å; V42-I44 PolarHBondContact O-N 3.4Å |
| 43 | T | 43.9 | Very low | 42.3 | Very low | 79 Ų | 79 | 120 Ų | 120 | 49% | 0.485 | 67% | 0.668 | S | S | . | * | | | trans | -85.6 | 101.9 | 172.6 | -54.9 | 0 | 0 | 0 | 0 | 109.1 | D41 M45 | D41-T43 PolarHBondContact O-N 3.04Å; D41-T43 VanDerWaalsContact O-N 3.16Å; T43-M45 HydrophobicContact CG2-CG 4.28Å; T43-M45 PolarHBondContact O-N 3.16Å |
| 44 | I | 46.9 | Very low | 42 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 52% | 0.523 | 67% | 0.672 | S | S | . | * | | | trans | -76.8 | 101.3 | 173.8 | -61.6 | 170.3 | 0 | 0 | 0 | 108.3 | V42 K46 I74 | V42-I44 HydrophobicContact CG1-CG1 4.24Å; V42-I44 PolarHBondContact O-N 3.4Å; I44-K46 PolarHBondContact O-N 2.89Å; I44-I74 HydrophobicContact CB-CD1 4.27Å; I44-I74 HydrophobicContact CD1-CD1 3.8Å; I44-I74 HydrophobicContact CG1-CD1 4.46Å |
| 45 | M | 40.7 | Very low | 41.6 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | | | trans | -83.4 | 108 | 170.8 | -69.1 | -166.9 | -64.9 | 0 | 0 | 109.7 | T43 T47 | T43-M45 HydrophobicContact CG2-CG 4.28Å; T43-M45 PolarHBondContact O-N 3.16Å; M45-T47 PolarHBondContact O-N 3.17Å |
| 46 | K | 43.3 | Very low | 41.4 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 70% | 0.704 | 68% | 0.681 | S | S | * | * | | | trans | -78.5 | 104.4 | 170.9 | -165.5 | 174.3 | -174.8 | 174.7 | 0 | 108.9 | I44 V48 | I44-K46 PolarHBondContact O-N 2.89Å; K46-V48 PolarHBondContact O-N 3.44Å; K46-V48 VanDerWaalsContact O-N 3.08Å |
| 47 | T | 37.9 | Very low | 40.8 | Very low | 105 Ų | 105 | 121 Ų | 121 | 64% | 0.644 | 68% | 0.678 | S | S | * | * | | | trans | -70.3 | 104.8 | 172.8 | -36.7 | 0 | 0 | 0 | 0 | 108.8 | M45 T49 | M45-T47 PolarHBondContact O-N 3.17Å; T47-T49 PolarHBondContact O-N 3.15Å; T47-T49 VanDerWaalsContact O-N 3.08Å |
| 48 | V | 39.1 | Very low | 40.3 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 61% | 0.606 | 67% | 0.67 | S | S | * | * | | | trans | -77.3 | 94.6 | 170.1 | -163.3 | 0 | 0 | 0 | 0 | 107.4 | K46 K66 | K46-V48 PolarHBondContact O-N 3.44Å; K46-V48 VanDerWaalsContact O-N 3.08Å; V48-K66 PolarHBondContact O-NZ 2.76Å |
| 49 | T | 39.2 | Very low | 39.6 | Very low | 104 Ų | 104 | 117.7 Ų | 117.7 | 64% | 0.638 | 68% | 0.68 | S | S | * | * | | | trans | -66.8 | 123.8 | 162.9 | -40.2 | 0 | 0 | 0 | 0 | 106.3 | T47 L51 | T47-T49 PolarHBondContact O-N 3.15Å; T47-T49 VanDerWaalsContact O-N 3.08Å; T49-L51 PolarHBondContact O-N 3.28Å; T49-L51 VanDerWaalsContact O-N 3.12Å |
| 50 | P | 40.2 | Very low | 39 | Very low | 79 Ų | 79 | 124 Ų | 124 | 51% | 0.513 | 69% | 0.689 | S | S | . | * | | | trans | -55.8 | 126.7 | 176.9 | 22.2 | -32.3 | 0 | 0 | 0 | 106.7 | L52 | P50-L52 PolarHBondContact O-N 3.46Š|
| 51 | L | 42.6 | Very low | 38.5 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 90% | 0.901 | 71% | 0.708 | S | S | * | * | | | trans | -51.7 | 107.2 | 169.3 | -69.5 | 164.7 | 0 | 0 | 0 | 106.2 | T49 S53 | T49-L51 PolarHBondContact O-N 3.28Å; T49-L51 VanDerWaalsContact O-N 3.12Å; L51-S53 PolarHBondContact O-N 2.82Å |
| 52 | L | 39.8 | Very low | 38 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 89% | 0.885 | 72% | 0.718 | S | S | * | * | | | trans | -63 | 93.2 | 162.5 | -91.5 | 151.2 | 0 | 0 | 0 | 104.8 | P50 K54 | P50-L52 PolarHBondContact O-N 3.46Å; L52-K54 PolarHBondContact O-N 2.98Å |
| 53 | S | 41.2 | Very low | 37.3 | Very low | 79 Ų | 79 | 132 Ų | 132 | 55% | 0.552 | 73% | 0.731 | S | S | * | * | | | trans | -54.2 | 133.1 | 163.3 | 58.7 | 0 | 0 | 0 | 0 | 106.3 | L51 D55 | L51-S53 PolarHBondContact O-N 2.82Å; S53-D55 PolarHBondContact O-N 3.08Å; S53-D55 PolarHBondContact OG-OD2 3.28Å |
| 54 | K | 37.9 | Very low | 36.7 | Very low | 206 Ų | 206 | 135.4 Ų | 135.4 | 90% | 0.896 | 74% | 0.744 | S | S | * | * | | | trans | -68.6 | 71.6 | 171 | -74.8 | -176.3 | 174.1 | 179.3 | 0 | 108.4 | L52 | L52-K54 PolarHBondContact O-N 2.98Š|
| 55 | D | 35.8 | Very low | 35.7 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | | | trans | -97.9 | 95.5 | 168.4 | -76.5 | -48.1 | 0 | 0 | 0 | 108.9 | S53 G57 | S53-D55 PolarHBondContact O-N 3.08Å; S53-D55 PolarHBondContact OG-OD2 3.28Å; D55-G57 PolarHBondContact O-N 3.36Å |
| 56 | V | 34.1 | Very low | 35.5 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | | | trans | -3.9 | 100.3 | 142.4 | -173.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 57 | G | 31.6 | Very low | 34.9 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 80.5 | 126.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | D55 | D55-G57 PolarHBondContact O-N 3.36Š|
| 58 | G | 31.2 | Very low | 34.7 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | | | trans | 105 | 88.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R60 | G58-R60 PolarHBondContact O-N 2.86Å; G58-R60 VanDerWaalsContact O-N 3.14Å |
| 59 | L | 29 | Very low | 34.4 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 94% | 0.942 | 75% | 0.753 | S | S | * | * | | | trans | 14.2 | 89.4 | 133.9 | -79.1 | 153.1 | 0 | 0 | 0 | 115.9 | | |
| 60 | R | 32.3 | Very low | 34.3 | Very low | 243 Ų | 243 | 140.9 Ų | 140.9 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | | | trans | -140.7 | 132.6 | 155.1 | -70.3 | -164.8 | -179.1 | -175.5 | 2.1 | 111.8 | G58 | G58-R60 PolarHBondContact O-N 2.86Å; G58-R60 VanDerWaalsContact O-N 3.14Å |
| 61 | K | 32.4 | Very low | 34 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | trans | -55.7 | 146.7 | -169.6 | -67.1 | 168.1 | 173.3 | 176.4 | 0 | 113.2 | C63 | K61-C63 PolarHBondContact O-N 2.86Š|
| 62 | P | 34.9 | Very low | 33.8 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | | | trans | -71.2 | 96.8 | 170.7 | 29.1 | -30.4 | 0 | 0 | 0 | 109.2 | M64 | P62-M64 PolarHBondContact O-N 3.12Š|
| 63 | C | 29.6 | Very low | 33.6 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -77.8 | 100.9 | 165.3 | -146 | 0 | 0 | 0 | 0 | 106.7 | K61 S65 | K61-C63 PolarHBondContact O-N 2.86Å; C63-S65 PolarHBondContact O-N 3.42Å |
| 64 | M | 31.2 | Very low | 33.5 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | | | trans | -75.1 | 87.5 | 178.9 | -67.6 | -142.3 | 70.7 | 0 | 0 | 110.3 | P62 K66 | P62-M64 PolarHBondContact O-N 3.12Å; M64-K66 HydrophobicContact CE-CD 4.19Å; M64-K66 HydrophobicContact CE-CG 4.49Å |
| 65 | S | 26.8 | Very low | 33.5 | Very low | 87 Ų | 87 | 134 Ų | 134 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | | | trans | -116.3 | 73.5 | 163.3 | 48.2 | 0 | 0 | 0 | 0 | 108.5 | C63 | C63-S65 PolarHBondContact O-N 3.42Š|
| 66 | K | 34.8 | Very low | 33.7 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 38% | 0.378 | 72% | 0.724 | S | S | . | * | | | trans | -100.1 | 91.1 | 176.7 | -67.9 | -168.2 | -175.1 | -178.7 | 0 | 109.9 | V48 M64 F68 | V48-K66 PolarHBondContact O-NZ 2.76Å; M64-K66 HydrophobicContact CE-CD 4.19Å; M64-K66 HydrophobicContact CE-CG 4.49Å; K66-F68 HydrophobicContact CB-CD2 4.43Å; K66-F68 HydrophobicContact CB-CE2 3.95Å; K66-F68 HydrophobicContact CB-CZ 4.48Å; K66-F68 VanDerWaalsContact O-CD2 3.29Å; K66-F68 WeakPolarHBondContact O-CD2 3.08Å; K66-F68 PolarHBondContact O-N 3.01Å |
| 67 | Y | 31 | Very low | 33.9 | Very low | 223 Ų | 223 | 133.1 Ų | 133.1 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | | | trans | -53.5 | 129.3 | 154.4 | -63.6 | -90.2 | 0 | 0 | 0 | 108.1 | | |
| 68 | F | 35.3 | Very low | 34.3 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | | | trans | -108.2 | 110.5 | 172.3 | -78.7 | -90.2 | 0 | 0 | 0 | 108 | K66 A70 | K66-F68 HydrophobicContact CB-CD2 4.43Å; K66-F68 HydrophobicContact CB-CE2 3.95Å; K66-F68 HydrophobicContact CB-CZ 4.48Å; K66-F68 VanDerWaalsContact O-CD2 3.29Å; K66-F68 WeakPolarHBondContact O-CD2 3.08Å; K66-F68 PolarHBondContact O-N 3.01Å; F68-A70 PolarHBondContact O-N 3.17Å |
| 69 | E | 31.6 | Very low | 34.7 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | | | trans | -87.6 | 100.5 | 170.5 | -163.2 | 168.4 | -143.7 | 0 | 0 | 107.4 | E71 | E69-E71 PolarHBondContact O-N 2.96Š|
| 70 | A | 37.8 | Very low | 35.1 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | | | trans | -95.7 | 71.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F68 | F68-A70 PolarHBondContact O-N 3.17Š|
| 71 | E | 32.7 | Very low | 35.2 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | | | trans | -98.7 | 90.2 | 161.9 | -89.6 | -164.8 | 158.9 | 0 | 0 | 108.9 | E69 | E69-E71 PolarHBondContact O-N 2.96Š|
| 72 | C | 38.6 | Very low | 35.2 | Very low | 102 Ų | 102 | 123 Ų | 123 | 69% | 0.689 | 66% | 0.662 | S | S | * | * | | | trans | -152.2 | 87.7 | 164 | -94.7 | 0 | 0 | 0 | 0 | 109.1 | I74 | C72-I74 VanDerWaalsContact C-N 3.33Å; C72-I74 HydrophobicContact CB-CD1 4.39Å; C72-I74 HydrophobicContact CB-CG1 4.19Å; C72-I74 PolarHBondContact O-N 3.24Å |
| 73 | V | 36.2 | Very low | 35.3 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 84% | 0.842 | 65% | 0.654 | S | S | * | * | | | trans | -79.5 | 92.9 | 156.8 | 178.5 | 0 | 0 | 0 | 0 | 105.6 | D75 | V73-D75 PolarHBondContact O-N 2.74Š|
| 74 | I | 39.4 | Very low | 35.7 | Very low | 62 Ų | 62 | 122.1 Ų | 122.1 | 32% | 0.318 | 65% | 0.652 | S | S | . | * | | | trans | -83.2 | 107.6 | 172.7 | -69.2 | 173.2 | 0 | 0 | 0 | 106.9 | I44 C72 L76 L79 | I44-I74 HydrophobicContact CB-CD1 4.27Å; I44-I74 HydrophobicContact CD1-CD1 3.8Å; I44-I74 HydrophobicContact CG1-CD1 4.46Å; C72-I74 VanDerWaalsContact C-N 3.33Å; C72-I74 HydrophobicContact CB-CD1 4.39Å; C72-I74 HydrophobicContact CB-CG1 4.19Å; C72-I74 PolarHBondContact O-N 3.24Å; I74-L76 HydrophobicContact CG2-CD2 4.43Å; I74-L76 PolarHBondContact O-N 3.05Å; I74-L76 VanDerWaalsContact O-N 3.1Å; I74-L79 HydrophobicContact CG2-CD1 3.24Å |
| 75 | D | 37.7 | Very low | 36.1 | Very low | 87 Ų | 87 | 120.7 Ų | 120.7 | 47% | 0.465 | 65% | 0.647 | S | S | . | * | | | trans | -72.6 | 95.6 | 169.6 | -157 | 4 | 0 | 0 | 0 | 106.9 | V73 D77 R78 | V73-D75 PolarHBondContact O-N 2.74Å; D75-D77 PolarHBondContact O-N 3.01Å; D75-D77 VanDerWaalsContact O-N 3.13Å; D75-R78 HydrophobicContact CB-CB 4.39Å; D75-R78 PolarHBondContact O-N 3.02Å |
| 76 | L | 40 | Very low | 36.7 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 54% | 0.539 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -56.6 | -26.3 | -178.6 | -75.4 | 163.2 | 0 | 0 | 0 | 111.6 | I74 R78 L79 | I74-L76 HydrophobicContact CG2-CD2 4.43Å; I74-L76 PolarHBondContact O-N 3.05Å; I74-L76 VanDerWaalsContact O-N 3.1Å; L76-R78 PolarHBondContact O-N 3.19Å; L76-L79 PolarHBondContact O-N 3.05Å |
| 77 | D | 38.3 | Very low | 36.8 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -69.1 | -9.9 | 175 | -73.1 | -14.5 | 0 | 0 | 0 | 113.8 | D75 | D75-D77 PolarHBondContact O-N 3.01Å; D75-D77 VanDerWaalsContact O-N 3.13Å |
| 78 | R | 38.7 | Very low | 37 | Very low | 205 Ų | 205 | 119.8 Ų | 119.8 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -116.3 | -0.5 | -180 | -72.2 | -177 | 163.8 | -153.1 | -5.4 | 114.1 | D75 L76 C80 | D75-R78 HydrophobicContact CB-CB 4.39Å; D75-R78 PolarHBondContact O-N 3.02Å; L76-R78 PolarHBondContact O-N 3.19Å; R78-C80 PolarHBondContact O-N 2.93Å |
| 79 | L | 40.6 | Very low | 37.1 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 49% | 0.487 | 66% | 0.66 | S | S | . | * | | | trans | -86.7 | 59.9 | -178.6 | -129.8 | 116.1 | 0 | 0 | 0 | 111.5 | I74 L76 V81 | I74-L79 HydrophobicContact CG2-CD1 3.24Å; L76-L79 PolarHBondContact O-N 3.05Å; L79-V81 HydrophobicContact CB-CG2 4.47Å; L79-V81 HydrophobicContact CD2-CB 4.21Å; L79-V81 HydrophobicContact CD2-CG2 3.42Å; L79-V81 VanDerWaalsContact CD2-CG2 3.42Å; L79-V81 HydrophobicContact CG-CG2 3.56Å; L79-V81 PolarHBondContact O-N 2.98Å |
| 80 | C | 36.5 | Very low | 37.1 | Very low | 131 Ų | 131 | 115.9 Ų | 115.9 | 89% | 0.885 | 66% | 0.658 | S | S | * | * | | | trans | -76.5 | 72.4 | 157.2 | -67.9 | 0 | 0 | 0 | 0 | 107.9 | R78 | R78-C80 PolarHBondContact O-N 2.93Š|
| 81 | V | 36.1 | Very low | 37.2 | Very low | 66 Ų | 66 | 115.8 Ų | 115.8 | 40% | 0.4 | 65% | 0.651 | S | S | . | * | | | trans | -88.5 | 118 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 106.4 | L79 D85 L86 | L79-V81 HydrophobicContact CB-CG2 4.47Å; L79-V81 HydrophobicContact CD2-CB 4.21Å; L79-V81 HydrophobicContact CD2-CG2 3.42Å; L79-V81 VanDerWaalsContact CD2-CG2 3.42Å; L79-V81 HydrophobicContact CG-CG2 3.56Å; L79-V81 PolarHBondContact O-N 2.98Å; V81-D85 HydrophobicContact CG1-CB 4.04Å; V81-L86 HydrophobicContact CG1-CD1 4.47Å; V81-L86 HydrophobicContact CG1-CG 4.27Å |
| 82 | S | 32.1 | Very low | 37.3 | Very low | 53 Ų | 53 | 115 Ų | 115 | 37% | 0.371 | 65% | 0.65 | S | S | . | * | | | trans | -57.3 | 139.2 | 173 | 79.8 | 0 | 0 | 0 | 0 | 108.5 | E84 D85 | S82-E84 PolarHBondContact O-N 3.25Å; S82-D85 PolarHBondContact O-N 2.72Å; S82-D85 VanDerWaalsContact O-N 3.07Å; S82-D85 PolarHBondContact OG-OD2 3.41Å |
| 83 | G | 36.6 | Very low | 37.3 | Very low | 62 Ų | 62 | 118.3 Ų | 118.3 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -8.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 84 | E | 37.2 | Very low | 37.3 | Very low | 160 Ų | 160 | 120.2 Ų | 120.2 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -24.8 | 179.9 | -60.1 | -175.1 | 142.8 | 0 | 0 | 112.7 | S82 L86 | S82-E84 PolarHBondContact O-N 3.25Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.14Å |
| 85 | D | 39.4 | Very low | 37.1 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 65% | 0.647 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -81.2 | -10.2 | -179.8 | -71.9 | -47.7 | 0 | 0 | 0 | 113.8 | V81 S82 | V81-D85 HydrophobicContact CG1-CB 4.04Å; S82-D85 PolarHBondContact O-N 2.72Å; S82-D85 VanDerWaalsContact O-N 3.07Å; S82-D85 PolarHBondContact OG-OD2 3.41Å |
| 86 | L | 40.3 | Very low | 37 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -85 | -6.9 | 175.1 | -78.9 | 161.1 | 0 | 0 | 0 | 113.5 | V81 E84 C88 | V81-L86 HydrophobicContact CG1-CD1 4.47Å; V81-L86 HydrophobicContact CG1-CG 4.27Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.14Å; L86-C88 VanDerWaalsContact C-N 3.32Å; L86-C88 PolarHBondContact O-N 2.68Å |
| 87 | L | 37.3 | Very low | 37 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -85.5 | 5.2 | -175.2 | -69.2 | 171.8 | 0 | 0 | 0 | 114.7 | H89 | L87-H89 PolarHBondContact O-N 3.31Š|
| 88 | C | 34.7 | Very low | 37 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -94.3 | 25.9 | 179 | -148 | 0 | 0 | 0 | 0 | 114.7 | L86 | L86-C88 VanDerWaalsContact C-N 3.32Å; L86-C88 PolarHBondContact O-N 2.68Å |
| 89 | H | 37 | Very low | 36.8 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 63% | 0.63 | 72% | 0.722 | S | S | * | * | | | trans | -127.2 | 50.7 | 167.2 | -85.6 | -63.7 | 0 | 0 | 0 | 111.3 | L87 S91 | L87-H89 PolarHBondContact O-N 3.31Å; H89-S91 VanDerWaalsContact C-N 3.25Å; H89-S91 PolarHBondContact O-N 2.91Å |
| 90 | S | 33.2 | Very low | 36.6 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 71.7 | 171.8 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 91 | S | 38.7 | Very low | 36.6 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 67% | 0.671 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.8 | 5.5 | 168.2 | 60.1 | 0 | 0 | 0 | 0 | 114.8 | H89 | H89-S91 VanDerWaalsContact C-N 3.25Å; H89-S91 PolarHBondContact O-N 2.91Å |
| 92 | I | 36 | Very low | 36.7 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 15.7 | -174.6 | -60.1 | 172.5 | 0 | 0 | 0 | 112.6 | | |
| 93 | L | 37 | Very low | 36.9 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 7.6 | -178.5 | -106.6 | 149 | 0 | 0 | 0 | 115.3 | | |
| 94 | Q | 36.6 | Very low | 36.9 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -112.1 | 11.2 | -176.5 | -76.6 | -170.9 | -28.7 | 0 | 0 | 116.3 | | |
| 95 | H | 36.1 | Very low | 36.9 | Very low | 172 Ų | 172 | 154.3 Ų | 154.3 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -112.6 | 15.3 | -174.4 | -123.3 | 36.6 | 0 | 0 | 0 | 116.8 | | |
| 96 | R | 35.9 | Very low | 36.8 | Very low | 247 Ų | 247 | 156.5 Ų | 156.5 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -116.3 | 11.7 | 177.2 | -98.8 | -176.1 | 167.2 | 166.3 | -2.3 | 115.9 | | |
| 97 | Q | 38.3 | Very low | 36.5 | Very low | 198 Ų | 198 | 158.4 Ų | 158.4 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -119.9 | 6 | 174.6 | -73.8 | -172.4 | -5 | 0 | 0 | 115 | | |
| 98 | A | 39.2 | Very low | 36.5 | Very low | 84 Ų | 84 | 160.1 Ų | 160.1 | 69% | 0.694 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -103.4 | 13.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 99 | V | 34.5 | Very low | 36.6 | Very low | 140 Ų | 140 | 164.1 Ų | 164.1 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | | | trans | -118.7 | 85.3 | 174.9 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 100 | K | 36.8 | Very low | 36.6 | Very low | 277 Ų | 277 | 166.6 Ų | 166.6 | 100% | 1.204 | 85% | 0.854 | S | S | * | * | | | trans | -133.5 | 0 | 158 | -113.4 | -169.8 | -178.2 | -178.2 | 0 | 107.7 | | |