| 1 | M | 47.7 | Very low | 41.6 | Very low | 230 Ų | 230 | 153.3 Ų | 153.3 | 100% | 1.133 | 84% | 0.841 | S | S | * | * | | | | 0 | 97 | 0 | -65.3 | -176.6 | -161.4 | 0 | 0 | 106.8 | M3 | M1-M3 PolarHBondContact O-N 3.02Š|
| 2 | N | 41.1 | Very low | 41.4 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | | | trans | -82.4 | 107 | -178.3 | -79.3 | 12.4 | 0 | 0 | 0 | 108.5 | M4 | N2-M4 PolarHBondContact O-N 3.38Å; N2-M4 VanDerWaalsContact O-N 3.09Å |
| 3 | M | 48 | Very low | 41.3 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | | | trans | -66 | 104.9 | 172.7 | -56.8 | -166.1 | -151.9 | 0 | 0 | 107.7 | M1 P5 | M1-M3 PolarHBondContact O-N 3.02Å; M3-P5 WeakPolarHBondContact O-CD 3.43Å |
| 4 | M | 41 | Very low | 41.5 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 125.2 | 169.7 | -67.2 | 177.9 | 95.8 | 0 | 0 | 107.4 | N2 S6 | N2-M4 PolarHBondContact O-N 3.38Å; N2-M4 VanDerWaalsContact O-N 3.09Å; M4-S6 PolarHBondContact O-N 3.49Å; M4-S6 VanDerWaalsContact O-N 3.13Å |
| 5 | P | 48.4 | Very low | 41.5 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 118.9 | 172.9 | 23.4 | -29.4 | 0 | 0 | 0 | 108.2 | M3 N7 | M3-P5 WeakPolarHBondContact O-CD 3.43Å; P5-N7 PolarHBondContact O-N 2.78Å |
| 6 | S | 47.2 | Very low | 41.2 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 120.6 | 171.7 | 23.1 | 0 | 0 | 0 | 0 | 108.9 | M4 P8 | M4-S6 PolarHBondContact O-N 3.49Å; M4-S6 VanDerWaalsContact O-N 3.13Å; S6-P8 WeakPolarHBondContact O-CD 3.13Å; S6-P8 VanDerWaalsContact O-N 3.16Å |
| 7 | N | 35.2 | Very low | 41.3 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 116.9 | 179.6 | -154.2 | 9.5 | 0 | 0 | 0 | 108.8 | P5 G9 | P5-N7 PolarHBondContact O-N 2.78Å; N7-G9 PolarHBondContact O-N 3.44Å; N7-G9 VanDerWaalsContact O-N 3.11Å |
| 8 | P | 41.5 | Very low | 41.4 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 121.9 | 179.9 | 22 | -30.2 | 0 | 0 | 0 | 108 | S6 R10 | S6-P8 WeakPolarHBondContact O-CD 3.13Å; S6-P8 VanDerWaalsContact O-N 3.16Å; P8-R10 PolarHBondContact O-N 3.14Å |
| 9 | G | 34.4 | Very low | 41.3 | Very low | 62 Ų | 62 | 145.3 Ų | 145.3 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -47 | 128.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110 | N7 V11 | N7-G9 PolarHBondContact O-N 3.44Å; N7-G9 VanDerWaalsContact O-N 3.11Å; G9-V11 PolarHBondContact O-N 3.19Å |
| 10 | R | 33.8 | Very low | 41.4 | Very low | 241 Ų | 241 | 143.3 Ų | 143.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -54.7 | 96.9 | 164.7 | -82.5 | -177.7 | 171.5 | -131.7 | 0.5 | 106.9 | P8 S12 | P8-R10 PolarHBondContact O-N 3.14Å; R10-S12 PolarHBondContact O-N 3.39Å |
| 11 | V | 39 | Very low | 41.8 | Very low | 131 Ų | 131 | 142 Ų | 142 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -67.4 | 106.4 | 165 | -165.7 | 0 | 0 | 0 | 0 | 103.8 | G9 S13 | G9-V11 PolarHBondContact O-N 3.19Å; V11-S13 PolarHBondContact O-N 3.13Å |
| 12 | S | 39.6 | Very low | 41.8 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -61.2 | 86.9 | 170 | -47.5 | 0 | 0 | 0 | 0 | 106.9 | R10 P14 | R10-S12 PolarHBondContact O-N 3.39Å; S12-P14 WeakPolarHBondContact O-CD 3.48Å |
| 13 | S | 40 | Very low | 41.9 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -61.3 | 120 | 166.9 | 30 | 0 | 0 | 0 | 0 | 106 | V11 Q15 | V11-S13 PolarHBondContact O-N 3.13Å; S13-Q15 PolarHBondContact O-N 2.91Å |
| 14 | P | 44 | Very low | 41.7 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | | | trans | -55.7 | 131.7 | 174.4 | 22.1 | -29.6 | 0 | 0 | 0 | 106.7 | S12 G16 | S12-P14 WeakPolarHBondContact O-CD 3.48Å; P14-G16 PolarHBondContact O-N 2.95Å |
| 15 | Q | 41.5 | Very low | 42.1 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | | | trans | -46.6 | 103.8 | 178 | -157.3 | 170.4 | 5.8 | 0 | 0 | 106.8 | S13 N17 | S13-Q15 PolarHBondContact O-N 2.91Å; Q15-N17 PolarHBondContact O-N 3.24Å |
| 16 | G | 37.3 | Very low | 41.9 | Very low | 49 Ų | 49 | 134.2 Ų | 134.2 | 51% | 0.505 | 75% | 0.747 | S | S | . | * | | | trans | -57 | 113.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | P14 W18 | P14-G16 PolarHBondContact O-N 2.95Å; G16-W18 PolarHBondContact O-N 3.15Å |
| 17 | N | 42.3 | Very low | 42.1 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | -61.7 | 91.4 | 170.5 | -83.2 | -6.6 | 0 | 0 | 0 | 106.1 | Q15 L19 | Q15-N17 PolarHBondContact O-N 3.24Å; N17-L19 HydrophobicContact CB-CG 4.35Å; N17-L19 PolarHBondContact O-N 3.16Å |
| 18 | W | 42.6 | Very low | 42.6 | Very low | 245 Ų | 245 | 134.2 Ų | 134.2 | 93% | 0.928 | 74% | 0.742 | S | S | * | * | | | trans | -68.4 | 64.2 | 159.8 | -63.9 | 98.8 | 0 | 0 | 0 | 106.8 | G16 P20 | G16-W18 PolarHBondContact O-N 3.15Å; W18-P20 WeakPolarHBondContact O-CD 3.22Å |
| 19 | L | 41.1 | Very low | 42.9 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | | | trans | -62.4 | 123 | 158.8 | -73.5 | 170.3 | 0 | 0 | 0 | 104.3 | N17 V21 | N17-L19 HydrophobicContact CB-CG 4.35Å; N17-L19 PolarHBondContact O-N 3.16Å; L19-V21 PolarHBondContact O-N 3.25Å |
| 20 | P | 43.3 | Very low | 43.5 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | | | trans | -52.9 | 118 | 173.1 | 20.1 | -28.6 | 0 | 0 | 0 | 105.7 | W18 V22 | W18-P20 WeakPolarHBondContact O-CD 3.22Å; P20-V22 PolarHBondContact O-N 3.47Å |
| 21 | V | 48 | Very low | 44.1 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | | | trans | -65.5 | 91.7 | 168.4 | -175.2 | 0 | 0 | 0 | 0 | 103.6 | L19 R23 | L19-V21 PolarHBondContact O-N 3.25Å; V21-R23 HydrophobicContact CB-CG 4.42Å; V21-R23 HydrophobicContact CG1-CG 3.5Å; V21-R23 PolarHBondContact O-N 2.98Å |
| 22 | V | 48.3 | Very low | 44.7 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 70% | 0.697 | 73% | 0.73 | S | S | * | * | | | trans | -67.4 | 80.3 | 164.1 | -177.5 | 0 | 0 | 0 | 0 | 103.9 | P20 T24 | P20-V22 PolarHBondContact O-N 3.47Å; V22-T24 PolarHBondContact O-N 3.15Å |
| 23 | R | 44.3 | Very low | 45.1 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | -65.1 | 95.9 | 161.1 | -67.5 | -168 | 176.3 | -157 | -2 | 103.1 | V21 P25 | V21-R23 HydrophobicContact CB-CG 4.42Å; V21-R23 HydrophobicContact CG1-CG 3.5Å; V21-R23 PolarHBondContact O-N 2.98Å; R23-P25 VanDerWaalsContact O-CD 3.27Å; R23-P25 WeakPolarHBondContact O-CD 3.32Å |
| 24 | T | 43.8 | Very low | 45.8 | Very low | 110 Ų | 110 | 135 Ų | 135 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | | | trans | -48.7 | 116 | 159.1 | 39.5 | 0 | 0 | 0 | 0 | 105.1 | V22 E26 | V22-T24 PolarHBondContact O-N 3.15Å; T24-E26 PolarHBondContact O-N 3.43Å |
| 25 | P | 48.8 | Very low | 46.1 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | | | trans | -58.2 | 110.5 | 178.5 | 22.1 | -29.8 | 0 | 0 | 0 | 105.3 | R23 S27 | R23-P25 VanDerWaalsContact O-CD 3.27Å; R23-P25 WeakPolarHBondContact O-CD 3.32Å; P25-S27 PolarHBondContact O-N 2.91Å; P25-S27 VanDerWaalsContact O-N 3.14Å |
| 26 | E | 43.9 | Very low | 46.7 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | | | trans | -52.5 | 128.7 | 168 | -84.2 | -168.8 | 157.7 | 0 | 0 | 105.6 | T24 H28 | T24-E26 PolarHBondContact O-N 3.43Å; E26-H28 PolarHBondContact O-N 3.1Å; E26-H28 IonicContact OE2-CE1 2.78Å; E26-H28 PolarHBondContact OE2-CE1 2.88Å; E26-H28 IonicContact OE2-ND1 3.85Å |
| 27 | S | 50.6 | Low | 47.6 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | | | trans | -63.7 | 82 | 171 | 56.5 | 0 | 0 | 0 | 0 | 106.9 | P25 S29 | P25-S27 PolarHBondContact O-N 2.91Å; P25-S27 VanDerWaalsContact O-N 3.14Å; S27-S29 PolarHBondContact O-N 3.16Å |
| 28 | H | 46.1 | Very low | 47.9 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | | | trans | -65.6 | 95.5 | 161.9 | -70.4 | 0.8 | 0 | 0 | 0 | 103.8 | E26 F30 | E26-H28 PolarHBondContact O-N 3.1Å; E26-H28 IonicContact OE2-CE1 2.78Å; E26-H28 PolarHBondContact OE2-CE1 2.88Å; E26-H28 IonicContact OE2-ND1 3.85Å; H28-F30 PolarHBondContact O-N 2.86Å |
| 29 | S | 48.4 | Very low | 48.2 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | | | trans | -53.3 | 97.7 | 159 | 42.1 | 0 | 0 | 0 | 0 | 104.7 | S27 Q31 | S27-S29 PolarHBondContact O-N 3.16Å; S29-Q31 PolarHBondContact O-N 3.14Å |
| 30 | F | 46.8 | Very low | 48.5 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 80% | 0.803 | 69% | 0.692 | S | S | * | * | | | trans | -63.1 | 93.3 | 172.1 | -167.6 | -92.2 | 0 | 0 | 0 | 104.2 | H28 P32 | H28-F30 PolarHBondContact O-N 2.86Å; F30-P32 HydrophobicContact CD1-CB 4.46Å; F30-P32 HydrophobicContact CE1-CB 4.34Å; F30-P32 WeakPolarHBondContact O-CD 3.21Å |
| 31 | Q | 46.9 | Very low | 48.9 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | | | trans | -75.1 | 102.4 | 164.5 | -75.2 | -165.7 | -27.6 | 0 | 0 | 103.9 | S29 N33 | S29-Q31 PolarHBondContact O-N 3.14Å; Q31-N33 PolarHBondContact O-N 3.25Å |
| 32 | P | 50.4 | Low | 48.9 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 53% | 0.532 | 69% | 0.693 | S | S | . | * | | | trans | -54.1 | 125.2 | 169.1 | 24.4 | -32.3 | 0 | 0 | 0 | 105.5 | F30 V34 | F30-P32 HydrophobicContact CD1-CB 4.46Å; F30-P32 HydrophobicContact CE1-CB 4.34Å; F30-P32 WeakPolarHBondContact O-CD 3.21Å; P32-V34 HydrophobicContact CB-CG2 4.19Å; P32-V34 HydrophobicContact CG-CG2 4.04Å; P32-V34 PolarHBondContact O-N 3.37Å |
| 33 | N | 48.9 | Very low | 48.8 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 88% | 0.882 | 70% | 0.697 | S | S | * | * | | | trans | -69.4 | 76.7 | 174.9 | -142.4 | -13.5 | 0 | 0 | 0 | 105.7 | Q31 P35 | Q31-N33 PolarHBondContact O-N 3.25Å; N33-P35 WeakPolarHBondContact O-CD 3.48Å |
| 34 | V | 54.8 | Low | 48.7 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 43% | 0.43 | 69% | 0.693 | S | S | . | * | | | trans | -67.1 | 115.9 | -179.1 | -179.7 | 0 | 0 | 0 | 0 | 105.1 | P32 Q36 F38 | P32-V34 HydrophobicContact CB-CG2 4.19Å; P32-V34 HydrophobicContact CG-CG2 4.04Å; P32-V34 PolarHBondContact O-N 3.37Å; V34-Q36 PolarHBondContact O-N 3Å; V34-F38 HydrophobicContact CG1-CB 3.6Å; V34-F38 HydrophobicContact CG1-CD1 4.39Å; V34-F38 HydrophobicContact CG1-CG 4.21Å |
| 35 | P | 49.9 | Very low | 48.4 | Very low | 86 Ų | 86 | 131.1 Ų | 131.1 | 56% | 0.558 | 70% | 0.699 | S | S | * | * | | | trans | -53.1 | 132.8 | 177.4 | -23.3 | 33.6 | 0 | 0 | 0 | 108.7 | N33 E37 F38 | N33-P35 WeakPolarHBondContact O-CD 3.48Å; P35-E37 PolarHBondContact O-N 3.28Å; P35-F38 PolarHBondContact O-N 3.17Å |
| 36 | Q | 55.1 | Low | 47.9 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 77% | 0.771 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -52.4 | -22.6 | -179.4 | -84.2 | -178.3 | -28.2 | 0 | 0 | 113 | V34 F38 N39 Q40 | V34-Q36 PolarHBondContact O-N 3Å; Q36-F38 PolarHBondContact O-N 2.92Å; Q36-N39 PolarHBondContact O-N 2.94Å; Q36-N39 VanDerWaalsContact O-N 3.08Å; Q36-Q40 PolarHBondContact O-N 3.17Å |
| 37 | E | 55.8 | Low | 47.5 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -55.4 | -34.8 | 172.5 | -64.4 | 175.3 | -179.9 | 0 | 0 | 112.9 | P35 N39 Q40 L41 | P35-E37 PolarHBondContact O-N 3.28Å; E37-N39 VanDerWaalsContact C-N 3.28Å; E37-N39 PolarHBondContact O-N 3.33Å; E37-Q40 WeakPolarHBondContact O-CB 3.49Å; E37-Q40 PolarHBondContact O-N 3.33Å; E37-Q40 VanDerWaalsContact O-N 3.12Å; E37-L41 PolarHBondContact O-N 3.46Å |
| 38 | F | 48.9 | Very low | 46.8 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 61% | 0.61 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69.4 | -27.9 | 178.7 | -151.8 | -95.2 | 0 | 0 | 0 | 112.4 | V34 P35 Q36 Q40 L41 | V34-F38 HydrophobicContact CG1-CB 3.6Å; V34-F38 HydrophobicContact CG1-CD1 4.39Å; V34-F38 HydrophobicContact CG1-CG 4.21Å; P35-F38 PolarHBondContact O-N 3.17Å; Q36-F38 PolarHBondContact O-N 2.92Å; F38-Q40 VanDerWaalsContact C-N 3.33Å; F38-L41 PolarHBondContact O-N 3.02Å |
| 39 | N | 48.2 | Very low | 46.3 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 54% | 0.54 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -74.3 | -24.5 | 173.6 | -73.6 | -35.6 | 0 | 0 | 0 | 112.4 | Q36 E37 L41 K42 | Q36-N39 PolarHBondContact O-N 2.94Å; Q36-N39 VanDerWaalsContact O-N 3.08Å; E37-N39 VanDerWaalsContact C-N 3.28Å; E37-N39 PolarHBondContact O-N 3.33Å; N39-L41 VanDerWaalsContact C-N 3.34Å; N39-K42 PolarHBondContact O-N 3.47Å |
| 40 | Q | 48.3 | Very low | 45.9 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 65% | 0.654 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.5 | -33.2 | 174.5 | -60.9 | -172.7 | 22.9 | 0 | 0 | 111.8 | Q36 E37 F38 K42 L43 | Q36-Q40 PolarHBondContact O-N 3.17Å; E37-Q40 WeakPolarHBondContact O-CB 3.49Å; E37-Q40 PolarHBondContact O-N 3.33Å; E37-Q40 VanDerWaalsContact O-N 3.12Å; F38-Q40 VanDerWaalsContact C-N 3.33Å; Q40-K42 VanDerWaalsContact C-N 3.26Å; Q40-K42 PolarHBondContact O-N 3.42Å; Q40-L43 PolarHBondContact O-N 3.43Å |
| 41 | L | 50.3 | Low | 45.4 | Very low | 117 Ų | 117 | 127 Ų | 127 | 61% | 0.613 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -67.2 | -26.3 | 177.9 | -72.5 | 171.2 | 0 | 0 | 0 | 113.1 | E37 F38 N39 L43 L44 | E37-L41 PolarHBondContact O-N 3.46Å; F38-L41 PolarHBondContact O-N 3.02Å; N39-L41 VanDerWaalsContact C-N 3.34Å; L41-L43 PolarHBondContact O-N 3.12Å; L41-L44 PolarHBondContact O-N 3.37Å |
| 42 | K | 48.5 | Very low | 44.6 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -69.2 | -19.9 | 175.9 | -119.4 | 176.6 | -176.5 | 178.4 | 0 | 113.2 | N39 Q40 | N39-K42 PolarHBondContact O-N 3.47Å; Q40-K42 VanDerWaalsContact C-N 3.26Å; Q40-K42 PolarHBondContact O-N 3.42Å |
| 43 | L | 46.7 | Very low | 43.9 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 78% | 0.78 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -84.2 | -14.4 | 174.9 | -111.2 | 91 | 0 | 0 | 0 | 113.9 | Q40 L41 G45 | Q40-L43 PolarHBondContact O-N 3.43Å; L41-L43 PolarHBondContact O-N 3.12Å; L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 3.08Å |
| 44 | L | 42.1 | Very low | 43.2 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -86.1 | 7.8 | -178.4 | -120.3 | 77.8 | 0 | 0 | 0 | 114.1 | L41 | L41-L44 PolarHBondContact O-N 3.37Š|
| 45 | G | 37.4 | Very low | 42 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -81.4 | -9.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L43 | L43-G45 VanDerWaalsContact C-N 3.26Å; L43-G45 PolarHBondContact O-N 3.08Å |
| 46 | A | 38.8 | Very low | 41.4 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -114 | -0.1 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 47 | A | 35.3 | Very low | 40.2 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | | | trans | -140 | 88.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 48 | S | 36.1 | Very low | 39 | Very low | 97 Ų | 97 | 134 Ų | 134 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | trans | -176 | 110.4 | 135.8 | 35.1 | 0 | 0 | 0 | 0 | 110.7 | L50 | S48-L50 PolarHBondContact O-N 2.87Š|
| 49 | N | 34.5 | Very low | 38.2 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | -51.6 | 91.2 | 152.7 | -70.3 | -71.4 | 0 | 0 | 0 | 108.8 | N51 | N49-N51 VanDerWaalsContact C-N 3.25Å; N49-N51 PolarHBondContact O-N 3.29Å |
| 50 | L | 41.3 | Very low | 37.4 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -70 | 92.4 | 167.5 | -86.7 | 159 | 0 | 0 | 0 | 107.4 | S48 K52 | S48-L50 PolarHBondContact O-N 2.87Å; L50-K52 PolarHBondContact O-N 2.9Å |
| 51 | N | 34.5 | Very low | 36.7 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -45.9 | 132 | 168.1 | -78.6 | -45.6 | 0 | 0 | 0 | 109.9 | N49 | N49-N51 VanDerWaalsContact C-N 3.25Å; N49-N51 PolarHBondContact O-N 3.29Å |
| 52 | K | 31.7 | Very low | 35.8 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 133.8 | 179 | -70.2 | 173 | 178.1 | 178 | 0 | 110.5 | L50 | L50-K52 PolarHBondContact O-N 2.9Š|
| 53 | P | 35.6 | Very low | 35.1 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 143.5 | 178.4 | 26.6 | -32.7 | 0 | 0 | 0 | 110.7 | | |
| 54 | P | 34.2 | Very low | 34.3 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 133.3 | 178.9 | 26.6 | -31.3 | 0 | 0 | 0 | 110.9 | F56 | P54-F56 HydrophobicContact CB-CE2 4.42Å; P54-F56 HydrophobicContact CG-CD2 4.44Å; P54-F56 HydrophobicContact CG-CE2 4.33Å; P54-F56 PolarHBondContact O-N 3.27Å; P54-F56 VanDerWaalsContact O-N 3.1Å |
| 55 | M | 29.5 | Very low | 34.2 | Very low | 194 Ų | 194 | 138.6 Ų | 138.6 | 96% | 0.956 | 79% | 0.793 | S | S | * | * | | | trans | -60 | 108.2 | 172.2 | -71 | -155.3 | 83 | 0 | 0 | 109.8 | | |
| 56 | F | 37.2 | Very low | 34.3 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | -107.9 | 133.2 | 161.7 | -86.6 | -80.5 | 0 | 0 | 0 | 109 | P54 | P54-F56 HydrophobicContact CB-CE2 4.42Å; P54-F56 HydrophobicContact CG-CD2 4.44Å; P54-F56 HydrophobicContact CG-CE2 4.33Å; P54-F56 PolarHBondContact O-N 3.27Å; P54-F56 VanDerWaalsContact O-N 3.1Å |
| 57 | G | 28.7 | Very low | 34.3 | Very low | 63 Ų | 63 | 143.6 Ų | 143.6 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | trans | -75.4 | 163.4 | -161.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N59 | G57-N59 PolarHBondContact O-N 3.01Å; G57-N59 VanDerWaalsContact O-N 3.14Å |
| 58 | D | 30.5 | Very low | 34.5 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | -2.7 | 90.3 | 156.4 | -54.4 | -32.5 | 0 | 0 | 0 | 115.6 | | |
| 59 | N | 32.4 | Very low | 34.4 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -130.4 | 93.8 | 151.2 | -91.6 | -30.3 | 0 | 0 | 0 | 108.6 | G57 A61 | G57-N59 PolarHBondContact O-N 3.01Å; G57-N59 VanDerWaalsContact O-N 3.14Å; N59-A61 PolarHBondContact O-N 2.96Å |
| 60 | T | 32.9 | Very low | 34.8 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | | | trans | -57.4 | 92.4 | 163 | 43.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 61 | A | 33.2 | Very low | 34.9 | Very low | 70 Ų | 70 | 142.2 Ų | 142.2 | 58% | 0.579 | 77% | 0.774 | S | S | * | * | | | trans | -154 | 102.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | N59 Q63 | N59-A61 PolarHBondContact O-N 2.96Å; A61-Q63 PolarHBondContact O-N 3.07Å; A61-Q63 VanDerWaalsContact O-N 3.12Å |
| 62 | Y | 30.5 | Very low | 35.3 | Very low | 238 Ų | 238 | 140.6 Ų | 140.6 | 93% | 0.933 | 76% | 0.764 | S | S | * | * | | | trans | 29.4 | 74.4 | 145.1 | -77.8 | -94.1 | 0 | 0 | 0 | 116.5 | | |
| 63 | Q | 34 | Very low | 35.7 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | -101.5 | 96.5 | 159.8 | -76.2 | -75.9 | -23 | 0 | 0 | 107.4 | A61 | A61-Q63 PolarHBondContact O-N 3.07Å; A61-Q63 VanDerWaalsContact O-N 3.12Å |
| 64 | G | 30.6 | Very low | 35.9 | Very low | 60 Ų | 60 | 135.8 Ų | 135.8 | 62% | 0.619 | 75% | 0.748 | S | S | * | * | | | trans | -49.6 | 141.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K66 | G64-K66 VanDerWaalsContact C-N 3.26Å; G64-K66 PolarHBondContact O-N 3.09Å |
| 65 | K | 38.7 | Very low | 36.1 | Very low | 218 Ų | 218 | 134.4 Ų | 134.4 | 95% | 0.948 | 74% | 0.741 | S | S | * | * | | | trans | -50.2 | 78.7 | -178 | -58.3 | 173.7 | 179.6 | 179.4 | 0 | 112 | | |
| 66 | K | 41 | Very low | 36.4 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | | | trans | -84.4 | 112.4 | 164.8 | -77 | -177.5 | 178.2 | 178.7 | 0 | 106.5 | G64 A68 | G64-K66 VanDerWaalsContact C-N 3.26Å; G64-K66 PolarHBondContact O-N 3.09Å; K66-A68 PolarHBondContact O-N 3.12Å |
| 67 | S | 38.3 | Very low | 36.6 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | | | trans | -45.5 | 125.9 | 177.8 | 41.6 | 0 | 0 | 0 | 0 | 110.9 | N69 | S67-N69 PolarHBondContact O-N 3.2Š|
| 68 | A | 39.7 | Very low | 37.1 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | | | trans | -74.7 | 62.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K66 P70 | K66-A68 PolarHBondContact O-N 3.12Å; A68-P70 WeakPolarHBondContact O-CD 3.3Å |
| 69 | N | 32.3 | Very low | 37.4 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 50% | 0.503 | 71% | 0.714 | S | S | . | * | | | trans | -99.7 | 100.2 | 168.3 | -133.3 | -11.8 | 0 | 0 | 0 | 108.7 | S67 F71 L72 | S67-N69 PolarHBondContact O-N 3.2Å; N69-F71 PolarHBondContact O-N 3.06Å; N69-L72 PolarHBondContact O-N 3.01Å |
| 70 | P | 44.6 | Very low | 37.8 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 58% | 0.578 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -63 | -14.3 | -172.6 | 24.3 | -33.6 | 0 | 0 | 0 | 113.8 | A68 S74 | A68-P70 WeakPolarHBondContact O-CD 3.3Å; P70-S74 PolarHBondContact O-OG 3.39Å |
| 71 | F | 43.4 | Very low | 38.2 | Very low | 176 Ų | 176 | 130 Ų | 130 | 77% | 0.772 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -74.7 | -22 | 175 | -75.3 | -78.4 | 0 | 0 | 0 | 114.3 | N69 | N69-F71 PolarHBondContact O-N 3.06Å |
| 72 | L | 42.3 | Very low | 38.4 | Very low | 112 Ų | 112 | 131 Ų | 131 | 59% | 0.586 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -88.9 | -22.8 | -178 | -66.8 | -179.3 | 0 | 0 | 0 | 113.9 | N69 | N69-L72 PolarHBondContact O-N 3.01Å |
| 73 | L | 40.9 | Very low | 38.9 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -89.8 | -25.5 | 179.7 | -81.5 | 158.7 | 0 | 0 | 0 | 113.5 | | |
| 74 | S | 39.3 | Very low | 39 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -77.7 | -26.5 | -177.7 | -60.2 | 0 | 0 | 0 | 0 | 113.4 | P70 | P70-S74 PolarHBondContact O-OG 3.39Å |
| 75 | S | 37.9 | Very low | 39.3 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 53% | 0.531 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -86.9 | -23.3 | -178.9 | 69.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 76 | L | 36.2 | Very low | 39.2 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -86.2 | -17.5 | -175.1 | -77 | 166.3 | 0 | 0 | 0 | 114.5 | | |
| 77 | S | 42 | Very low | 38.8 | Very low | 83 Ų | 83 | 126 Ų | 126 | 58% | 0.58 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -82 | -16.8 | 178.5 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 78 | H | 39.3 | Very low | 38.6 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 73% | 0.731 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -98.4 | 0.6 | -175.1 | -73.7 | 39.4 | 0 | 0 | 0 | 114.5 | | |
| 79 | Q | 36.8 | Very low | 38.7 | Very low | 168 Ų | 168 | 127 Ų | 127 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -125 | 3.9 | -179.1 | -88.8 | -174.8 | -6.8 | 0 | 0 | 115.7 | N81 | Q79-N81 PolarHBondContact O-N 3.42Š|
| 80 | L | 39.7 | Very low | 38.8 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | | | trans | -82.1 | 16.7 | 166.8 | -69.6 | 178.7 | 0 | 0 | 0 | 113.3 | N82 | L80-N82 PolarHBondContact O-N 2.87Š|
| 81 | N | 41.6 | Very low | 38 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -78 | 82.2 | 157.9 | -124.7 | -10 | 0 | 0 | 0 | 107 | Q79 P83 | Q79-N81 PolarHBondContact O-N 3.42Å; N81-P83 VanDerWaalsContact O-CD 3.22Å; N81-P83 WeakPolarHBondContact O-CD 3.46Å; N81-P83 VanDerWaalsContact O-N 3.07Å |
| 82 | N | 37 | Very low | 37.2 | Very low | 93 Ų | 93 | 130 Ų | 130 | 50% | 0.497 | 71% | 0.706 | S | S | . | * | | | trans | -55.6 | 110.6 | 179.3 | -155 | 9.5 | 0 | 0 | 0 | 107.8 | L80 W84 E85 | L80-N82 PolarHBondContact O-N 2.87Å; N82-W84 PolarHBondContact O-N 3.43Å; N82-E85 PolarHBondContact O-N 2.94Å |
| 83 | P | 41.5 | Very low | 36.6 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -67.5 | -3.1 | -171.1 | 25.8 | -33.4 | 0 | 0 | 0 | 113.4 | N81 | N81-P83 VanDerWaalsContact O-CD 3.22Å; N81-P83 WeakPolarHBondContact O-CD 3.46Å; N81-P83 VanDerWaalsContact O-N 3.07Å |
| 84 | W | 35.3 | Very low | 35.9 | Very low | 227 Ų | 227 | 129.9 Ų | 129.9 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -84.9 | -5.8 | 176.9 | -59.7 | 105.8 | 0 | 0 | 0 | 114.3 | N82 | N82-W84 PolarHBondContact O-N 3.43Š|
| 85 | E | 37.4 | Very low | 35.8 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -104.6 | 7.3 | 179.8 | -70.5 | -162 | 171.2 | 0 | 0 | 115.1 | N82 P87 | N82-E85 PolarHBondContact O-N 2.94Å; E85-P87 WeakPolarHBondContact O-CD 3.14Å |
| 86 | Q | 35.9 | Very low | 35.5 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | | | trans | -90.5 | 107.5 | 170.5 | -68.7 | -157.4 | -3.6 | 0 | 0 | 111.1 | | |
| 87 | P | 33.1 | Very low | 35.3 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | trans | -62.9 | 145.5 | 169.9 | 27.1 | -33.3 | 0 | 0 | 0 | 109.7 | E85 A89 | E85-P87 WeakPolarHBondContact O-CD 3.14Å; P87-A89 PolarHBondContact O-N 2.94Å |
| 88 | P | 34.7 | Very low | 34.9 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | trans | -63.1 | 106.7 | -170.7 | 23.3 | -32.1 | 0 | 0 | 0 | 111 | N90 | P88-N90 VanDerWaalsContact C-N 3.3Å; P88-N90 PolarHBondContact O-N 3.02Å |
| 89 | A | 41.3 | Very low | 34.2 | Very low | 106 Ų | 106 | 142 Ų | 142 | 88% | 0.876 | 77% | 0.766 | S | S | * | * | | | trans | -72.2 | 88.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P87 | P87-A89 PolarHBondContact O-N 2.94Š|
| 90 | N | 34.1 | Very low | 33.8 | Very low | 125 Ų | 125 | 142 Ų | 142 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | trans | -57.9 | 131.9 | 165.3 | -106 | -26.2 | 0 | 0 | 0 | 110.9 | P88 | P88-N90 VanDerWaalsContact C-N 3.3Å; P88-N90 PolarHBondContact O-N 3.02Å |
| 91 | Y | 29.3 | Very low | 33.1 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | 65.6 | 108.5 | 160.9 | -66.9 | -83.9 | 0 | 0 | 0 | 119.5 | | |
| 92 | A | 25.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | trans | -57.3 | 141.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 93 | P | 29.7 | Very low | 32.4 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | trans | -112.4 | 104.8 | 141.9 | 30.1 | -17.1 | 0 | 0 | 0 | 108 | S95 | P93-S95 PolarHBondContact O-N 3.09Å; P93-S95 VanDerWaalsContact O-N 3.13Å |
| 94 | S | 26.9 | Very low | 31.7 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -55.9 | 110.3 | 160.2 | 19.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 95 | S | 37.8 | Very low | 31.3 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | -133.9 | 125.1 | 163.8 | 53 | 0 | 0 | 0 | 0 | 109.2 | P93 S97 | P93-S95 PolarHBondContact O-N 3.09Å; P93-S95 VanDerWaalsContact O-N 3.13Å; S95-S97 PolarHBondContact O-N 2.85Å |
| 96 | D | 30.4 | Very low | 31 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | -55.7 | 119.1 | -175.7 | -58.8 | -72 | 0 | 0 | 0 | 112.2 | | |
| 97 | S | 31.9 | Very low | 30.7 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -112.1 | 90.7 | 162 | -160.9 | 0 | 0 | 0 | 0 | 108.4 | S95 W99 | S95-S97 PolarHBondContact O-N 2.85Å; S97-W99 PolarHBondContact O-N 2.7Å |
| 98 | Q | 33.6 | Very low | 30.4 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | -63.4 | 110.1 | 175.1 | -61.2 | 176 | -7.2 | 0 | 0 | 108.9 | Q100 | Q98-Q100 PolarHBondContact O-N 3.32Å; Q98-Q100 VanDerWaalsContact O-N 3.14Å |
| 99 | W | 25.8 | Very low | 30.2 | Very low | 249 Ų | 249 | 146.1 Ų | 146.1 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | | | trans | -67.7 | 99.7 | 171 | -73.6 | 91.2 | 0 | 0 | 0 | 110.4 | S97 | S97-W99 PolarHBondContact O-N 2.7Š|
| 100 | Q | 27.3 | Very low | 29.8 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -150 | 117.5 | 158.1 | -72 | -168.9 | 4.7 | 0 | 0 | 109 | Q98 | Q98-Q100 PolarHBondContact O-N 3.32Å; Q98-Q100 VanDerWaalsContact O-N 3.14Å |
| 101 | Y | 25.5 | Very low | 29.4 | Very low | 201 Ų | 201 | 146.4 Ų | 146.4 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | | | trans | -176.2 | 94.3 | 144.7 | -96.5 | -66.8 | 0 | 0 | 0 | 110.3 | F103 | Y101-F103 AromaticContact CD1-CD2 3.7Å; Y101-F103 HydrophobicContact CD1-CD2 3.7Å; Y101-F103 AromaticContact CD1-CE2 3.18Å; Y101-F103 HydrophobicContact CD1-CE2 3.18Å; Y101-F103 AromaticContact CD1-CZ 3.87Å; Y101-F103 HydrophobicContact CD1-CZ 3.87Å; Y101-F103 HydrophobicContact CE1-CD2 4.46Å; Y101-F103 AromaticContact CE1-CE2 3.56Å; Y101-F103 HydrophobicContact CE1-CE2 3.56Å; Y101-F103 AromaticContact CE1-CZ 3.8Å; Y101-F103 HydrophobicContact CE1-CZ 3.8Å; Y101-F103 HydrophobicContact CG-CD2 4.27Å; Y101-F103 AromaticContact CG-CE2 3.89Å; Y101-F103 HydrophobicContact CG-CE2 3.89Å |
| 102 | P | 31.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | trans | -93.8 | 96.6 | 159 | 31.1 | -22.8 | 0 | 0 | 0 | 109.1 | R104 | P102-R104 PolarHBondContact O-N 2.85Š|
| 103 | F | 32.3 | Very low | 29.8 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | trans | -75.8 | 118 | 170.1 | -89 | -85 | 0 | 0 | 0 | 110.1 | Y101 | Y101-F103 AromaticContact CD1-CD2 3.7Å; Y101-F103 HydrophobicContact CD1-CD2 3.7Å; Y101-F103 AromaticContact CD1-CE2 3.18Å; Y101-F103 HydrophobicContact CD1-CE2 3.18Å; Y101-F103 AromaticContact CD1-CZ 3.87Å; Y101-F103 HydrophobicContact CD1-CZ 3.87Å; Y101-F103 HydrophobicContact CE1-CD2 4.46Å; Y101-F103 AromaticContact CE1-CE2 3.56Å; Y101-F103 HydrophobicContact CE1-CE2 3.56Å; Y101-F103 AromaticContact CE1-CZ 3.8Å; Y101-F103 HydrophobicContact CE1-CZ 3.8Å; Y101-F103 HydrophobicContact CG-CD2 4.27Å; Y101-F103 AromaticContact CG-CE2 3.89Å; Y101-F103 HydrophobicContact CG-CE2 3.89Å |
| 104 | R | 25.8 | Very low | 29.9 | Very low | 210 Ų | 210 | 146.5 Ų | 146.5 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | | | trans | -70 | 126.9 | 167.7 | -118.8 | -158.6 | -167.6 | -164.2 | 10.2 | 109.4 | P102 E106 | P102-R104 PolarHBondContact O-N 2.85Å; R104-E106 IonicContact CZ-OE1 2.83Å; R104-E106 IonicContact NH1-OE1 3.85Å; R104-E106 PolarHBondContact NH1-OE1 3.05Å; R104-E106 PolarHBondContact O-N 2.7Å |
| 105 | A | 27.9 | Very low | 30.2 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | | | trans | -85.5 | 102.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 106 | E | 30.1 | Very low | 29.6 | Very low | 137 Ų | 137 | 149.5 Ų | 149.5 | 64% | 0.64 | 81% | 0.809 | S | S | * | * | | | trans | -134.3 | 109.1 | 164.7 | -84.7 | 178.6 | -155.3 | 0 | 0 | 108 | R104 | R104-E106 IonicContact CZ-OE1 2.83Å; R104-E106 IonicContact NH1-OE1 3.85Å; R104-E106 PolarHBondContact NH1-OE1 3.05Å; R104-E106 PolarHBondContact O-N 2.7Å |
| 107 | Q | 29.2 | Very low | 29.7 | Very low | 205 Ų | 205 | 151 Ų | 151 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | | | trans | 160.9 | 82 | 145.4 | -89.3 | 170.8 | 12.5 | 0 | 0 | 108.9 | | |
| 108 | A | 27.7 | Very low | 29.5 | Very low | 99 Ų | 99 | 152.3 Ų | 152.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -93.4 | 144.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 109 | A | 30 | Very low | 29.5 | Very low | 90 Ų | 90 | 149.8 Ų | 149.8 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | | | trans | 73.4 | 87.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 110 | N | 33.3 | Very low | 29.7 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | | -146.2 | 93.2 | 122.3 | -95.5 | -28.1 | 0 | 0 | 0 | 109 | | |
| 111 | G | 26.9 | Very low | 29.8 | Very low | 66 Ų | 66 | 143.9 Ų | 143.9 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | | | trans | -68.1 | 128.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 112 | I | 31.3 | Very low | 29.8 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | | 174.8 | 103.8 | 124.3 | -79.5 | 151.1 | 0 | 0 | 0 | 104.2 | | |
| 113 | G | 29.8 | Very low | 29.6 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | | | trans | -174.8 | 49.5 | -180 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q115 | G113-Q115 PolarHBondContact O-N 3.26Š|
| 114 | I | 32.4 | Very low | 29.7 | Very low | 171 Ų | 171 | 139 Ų | 139 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | | | trans | -65.5 | 99.6 | 171.3 | 17.1 | 172.8 | 0 | 0 | 0 | 107.5 | | |
| 115 | Q | 33.1 | Very low | 29.9 | Very low | 181 Ų | 181 | 134.4 Ų | 134.4 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | | | trans | -121.4 | 98.3 | 158.4 | -68.4 | -160.7 | 26.2 | 0 | 0 | 108.4 | G113 M117 | G113-Q115 PolarHBondContact O-N 3.26Å; Q115-M117 PolarHBondContact O-N 3.19Å |
| 116 | S | 26.2 | Very low | 30.3 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | -64.7 | 111 | 163.3 | 48.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 117 | M | 31.8 | Very low | 30.6 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | | | trans | -138 | 99.9 | 150.4 | -72.7 | -163.2 | 172.1 | 0 | 0 | 108.6 | Q115 | Q115-M117 PolarHBondContact O-N 3.19Š|
| 118 | T | 28.5 | Very low | 30.6 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | trans | -73.7 | 167.7 | 172.6 | 24.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 119 | P | 32.1 | Very low | 30.8 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | | | trans | -98 | 158 | -132.7 | 37.6 | -35.9 | 0 | 0 | 0 | 113.4 | | |
| 120 | S | 29.9 | Very low | 30.6 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | | | trans | -132.9 | 131.9 | 168.9 | -81.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 121 | Q | 30.3 | Very low | 30.5 | Very low | 190 Ų | 190 | 140.9 Ų | 140.9 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | 83.3 | 74.1 | 152 | -60.5 | 174.7 | 53.8 | 0 | 0 | 117.4 | | |
| 122 | M | 25.7 | Very low | 30.8 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 100% | 0.995 | 83% | 0.828 | S | S | * | * | | | trans | -73.2 | 123.4 | 143.4 | -73.7 | 174.8 | 84.7 | 0 | 0 | 108.6 | | |
| 123 | G | 27.5 | Very low | 30.8 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | trans | 176.3 | 82 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 124 | S | 33.5 | Very low | 30.9 | Very low | 124 Ų | 124 | 146.8 Ų | 146.8 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | | | trans | -156.5 | 126.7 | 160.1 | 41.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 125 | S | 30.8 | Very low | 30.9 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | | | trans | -71.7 | 171.8 | -166.9 | 35.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 126 | P | 37.1 | Very low | 30.9 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 80% | 0.799 | 84% | 0.835 | S | S | * | * | | | trans | -96.3 | 149.2 | -159.3 | 37.1 | -31.1 | 0 | 0 | 0 | 113.9 | | |
| 127 | F | 35.9 | Very low | 31.4 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 82% | 0.816 | 84% | 0.835 | S | S | * | * | | | trans | -104.7 | 114.3 | 168.9 | -94.9 | -88.1 | 0 | 0 | 0 | 110.3 | Y129 | F127-Y129 HydrophobicContact CD1-CD2 4.15Å; F127-Y129 AromaticContact CD1-CE2 3.96Å; F127-Y129 HydrophobicContact CD1-CE2 3.96Å; F127-Y129 HydrophobicContact CE1-CE2 4.22Å |
| 128 | S | 27.9 | Very low | 31.5 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | | | trans | -101.6 | 122.2 | 167.4 | 45.6 | 0 | 0 | 0 | 0 | 109 | | |
| 129 | Y | 32.5 | Very low | 31.9 | Very low | 214 Ų | 214 | 144.3 Ų | 144.3 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | | | trans | -127.9 | 136.9 | 170.1 | -101.4 | -87.9 | 0 | 0 | 0 | 111 | F127 | F127-Y129 HydrophobicContact CD1-CD2 4.15Å; F127-Y129 AromaticContact CD1-CE2 3.96Å; F127-Y129 HydrophobicContact CD1-CE2 3.96Å; F127-Y129 HydrophobicContact CE1-CE2 4.22Å |
| 130 | Q | 26.6 | Very low | 32.2 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | | | trans | -72.3 | 156.4 | -170.4 | -83.5 | -173.8 | -87.6 | 0 | 0 | 115.5 | | |
| 131 | P | 30.1 | Very low | 32.6 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | | | trans | -86.4 | 139.3 | 170.9 | 34.2 | -31.7 | 0 | 0 | 0 | 112.7 | | |
| 132 | S | 33.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | | | trans | -116.1 | 137.2 | 176.8 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 133 | T | 32.6 | Very low | 33.8 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | -64.5 | 147.2 | -165.1 | -49.6 | 0 | 0 | 0 | 0 | 117 | | |
| 134 | E | 31.8 | Very low | 34.5 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -35.2 | 132.1 | 168.2 | -61.9 | 165 | 165.6 | 0 | 0 | 116.1 | | |
| 135 | R | 32.3 | Very low | 34.6 | Very low | 248 Ų | 248 | 140.1 Ų | 140.1 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | trans | -121.8 | 116.7 | 161.9 | -83.8 | -175.4 | 171.8 | -172.8 | -2.1 | 108.7 | | |
| 136 | S | 32.4 | Very low | 34.6 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | trans | -83 | 132.3 | 170.2 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 137 | S | 37.3 | Very low | 34.6 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -144 | 113.7 | 167.4 | 56.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 138 | G | 33.9 | Very low | 34.4 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 141.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 139 | L | 36.8 | Very low | 34.6 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 142.6 | 173.1 | -89 | 94.3 | 0 | 0 | 0 | 111.1 | | |
| 140 | P | 39.2 | Very low | 34.8 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 147.3 | 179.9 | 30.5 | -32.6 | 0 | 0 | 0 | 113.7 | | |
| 141 | D | 36.6 | Very low | 34.9 | Very low | 114 Ų | 114 | 133 Ų | 133 | 61% | 0.61 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 128.2 | -179.2 | -171.3 | -30.8 | 0 | 0 | 0 | 112.8 | S143 | D141-S143 VanDerWaalsContact C-N 3.27Å; D141-S143 PolarHBondContact O-N 3.42Å; D141-S143 PolarHBondContact OD1-N 3.19Å; D141-S143 VanDerWaalsContact OD1-N 3.16Å; D141-S143 PolarHBondContact OD1-OG 3.42Å |
| 142 | P | 42.4 | Very low | 34.9 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -77 | 2.1 | -173.9 | 30.7 | -34.7 | 0 | 0 | 0 | 115.4 | T144 | P142-T144 PolarHBondContact O-N 2.93Å; P142-T144 VanDerWaalsContact O-N 3.15Å |
| 143 | S | 38.9 | Very low | 34.7 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -72.5 | 0.7 | 178.5 | 53.4 | 0 | 0 | 0 | 0 | 115.3 | D141 | D141-S143 VanDerWaalsContact C-N 3.27Å; D141-S143 PolarHBondContact O-N 3.42Å; D141-S143 PolarHBondContact OD1-N 3.19Å; D141-S143 VanDerWaalsContact OD1-N 3.16Å; D141-S143 PolarHBondContact OD1-OG 3.42Å |
| 144 | T | 43 | Very low | 34.5 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -89.9 | -11 | -177.3 | -53.3 | 0 | 0 | 0 | 0 | 114.2 | P142 G146 | P142-T144 PolarHBondContact O-N 2.93Å; P142-T144 VanDerWaalsContact O-N 3.15Å; T144-G146 VanDerWaalsContact C-N 3.31Å; T144-G146 PolarHBondContact O-N 2.97Å |
| 145 | F | 36.4 | Very low | 34.3 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | | | trans | -86.2 | 74.6 | 179.5 | -74.1 | -80.4 | 0 | 0 | 0 | 111.8 | F147 | F145-F147 HydrophobicContact CB-CE2 4.27Å; F145-F147 PolarHBondContact O-N 2.97Å |
| 146 | G | 30.3 | Very low | 34.3 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | -66.8 | 107.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T144 | T144-G146 VanDerWaalsContact C-N 3.31Å; T144-G146 PolarHBondContact O-N 2.97Å |
| 147 | F | 35.9 | Very low | 34 | Very low | 186 Ų | 186 | 132.4 Ų | 132.4 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 125.6 | 165.7 | -78.6 | -80.8 | 0 | 0 | 0 | 109.8 | F145 S149 | F145-F147 HydrophobicContact CB-CE2 4.27Å; F145-F147 PolarHBondContact O-N 2.97Å; F147-S149 PolarHBondContact O-N 2.79Å |
| 148 | S | 33.2 | Very low | 33.6 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 123.7 | -179.2 | -27.3 | 0 | 0 | 0 | 0 | 110.1 | P150 | S148-P150 WeakPolarHBondContact O-CD 3.47Š|
| 149 | S | 32.4 | Very low | 33.4 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 124.7 | 166.1 | 47.3 | 0 | 0 | 0 | 0 | 109.3 | F147 F151 | F147-S149 PolarHBondContact O-N 2.79Å; S149-F151 PolarHBondContact O-N 3.39Å; S149-F151 VanDerWaalsContact O-N 3.15Å |
| 150 | P | 36.2 | Very low | 33 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -70.8 | 111.2 | 167.7 | 27.1 | -28.4 | 0 | 0 | 0 | 108.3 | S148 | S148-P150 WeakPolarHBondContact O-CD 3.47Š|
| 151 | F | 28 | Very low | 32.5 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | | | trans | -57.2 | 129.1 | 150.7 | -89.2 | -102.9 | 0 | 0 | 0 | 108.2 | S149 | S149-F151 PolarHBondContact O-N 3.39Å; S149-F151 VanDerWaalsContact O-N 3.15Å |
| 152 | E | 29.4 | Very low | 32.2 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | | | trans | -161.9 | 132.4 | 130.5 | -114.9 | 175.4 | -179.1 | 0 | 0 | 112.7 | | |
| 153 | S | 29.5 | Very low | 31.6 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -77.1 | 112.6 | -174.6 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 154 | G | 29 | Very low | 31.4 | Very low | 75 Ų | 75 | 142.2 Ų | 142.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -107.9 | 80 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V156 | G154-V156 PolarHBondContact O-N 3.02Å; G154-V156 VanDerWaalsContact O-N 3.16Å |
| 155 | Q | 26.3 | Very low | 30.8 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -67.7 | 103.5 | 168.3 | -80.2 | -176.3 | -22.9 | 0 | 0 | 109.4 | | |
| 156 | V | 33 | Very low | 30.8 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | trans | -119.3 | 109.4 | 155.5 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | G154 | G154-V156 PolarHBondContact O-N 3.02Å; G154-V156 VanDerWaalsContact O-N 3.16Å |
| 157 | R | 26.1 | Very low | 30.8 | Very low | 227 Ų | 227 | 144.6 Ų | 144.6 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -64.2 | 125.8 | 173 | -65.5 | 173.8 | 171.1 | -167.3 | -3.4 | 109.1 | | |
| 158 | T | 29.1 | Very low | 31 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -134.6 | 114.1 | 150.3 | 30.3 | 0 | 0 | 0 | 0 | 108 | | |
| 159 | P | 29.3 | Very low | 31 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | trans | -76.3 | 166.8 | 172.4 | 32.8 | -30.6 | 0 | 0 | 0 | 110.4 | | |
| 160 | E | 29.4 | Very low | 31.5 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | 89 | 76.8 | -179.3 | -47.6 | -156.9 | 171.3 | 0 | 0 | 113.3 | S162 | E160-S162 PolarHBondContact O-N 2.86Š|
| 161 | Q | 28.2 | Very low | 31.8 | Very low | 203 Ų | 203 | 142 Ų | 142 | 95% | 0.949 | 80% | 0.797 | S | S | * | * | | | | 36 | 71.7 | 83.9 | -72.5 | -166.4 | 2.9 | 0 | 0 | 113.3 | | |
| 162 | S | 30.1 | Very low | 32.3 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 55% | 0.545 | 79% | 0.792 | S | S | . | * | | | trans | -120 | 119.5 | 145.2 | 42.1 | 0 | 0 | 0 | 0 | 107.8 | E160 F164 | E160-S162 PolarHBondContact O-N 2.86Å; S162-F164 WeakPolarHBondContact O-CD2 2.96Å; S162-F164 PolarHBondContact O-N 3.09Å; S162-F164 WeakPolarHBondContact OG-CE2 3.37Å |
| 163 | S | 31 | Very low | 32.9 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | | | trans | -63.5 | 77 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 109.2 | Y165 | S163-Y165 PolarHBondContact O-N 2.77Å; S163-Y165 VanDerWaalsContact O-N 3.1Å |
| 164 | F | 34.3 | Very low | 33.6 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 77% | 0.772 | 78% | 0.784 | S | S | * | * | | | trans | -66.4 | 112.6 | 165.4 | -76.7 | -77.8 | 0 | 0 | 0 | 107 | S162 S166 | S162-F164 WeakPolarHBondContact O-CD2 2.96Å; S162-F164 PolarHBondContact O-N 3.09Å; S162-F164 WeakPolarHBondContact OG-CE2 3.37Å; F164-S166 PolarHBondContact O-N 3.2Å |
| 165 | Y | 31 | Very low | 34.3 | Very low | 227 Ų | 227 | 138.8 Ų | 138.8 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | | | trans | -23 | 116.9 | 165.8 | -96.2 | -107 | 0 | 0 | 0 | 111.5 | S163 G167 | S163-Y165 PolarHBondContact O-N 2.77Å; S163-Y165 VanDerWaalsContact O-N 3.1Å; Y165-G167 PolarHBondContact O-N 2.83Å |
| 166 | S | 34.7 | Very low | 35.4 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 88% | 0.881 | 76% | 0.755 | S | S | * | * | | | trans | -62.7 | 80.4 | 163.3 | -55.8 | 0 | 0 | 0 | 0 | 108.3 | F164 | F164-S166 PolarHBondContact O-N 3.2Š|
| 167 | G | 30.2 | Very low | 36.3 | Very low | 54 Ų | 54 | 132.8 Ų | 132.8 | 56% | 0.557 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 137 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | Y165 S169 | Y165-G167 PolarHBondContact O-N 2.83Å; G167-S169 PolarHBondContact O-N 2.82Å; G167-S169 VanDerWaalsContact O-N 3.09Å |
| 168 | P | 39.9 | Very low | 37.6 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 123.5 | -179.1 | 23.7 | -31.8 | 0 | 0 | 0 | 108.1 | | |
| 169 | S | 34.2 | Very low | 38.8 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 134.6 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 108.6 | G167 S171 | G167-S169 PolarHBondContact O-N 2.82Å; G167-S169 VanDerWaalsContact O-N 3.09Å; S169-S171 PolarHBondContact O-N 2.89Å |
| 170 | P | 43.1 | Very low | 40 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | | | trans | -52.8 | 111.8 | -179.1 | 20.6 | -31.1 | 0 | 0 | 0 | 107.8 | S172 | P170-S172 PolarHBondContact O-N 2.87Š|
| 171 | S | 41.4 | Very low | 41.3 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | | | trans | -46.4 | 117.5 | 171.7 | -39.5 | 0 | 0 | 0 | 0 | 106.5 | S169 Y173 | S169-S171 PolarHBondContact O-N 2.89Å; S171-Y173 PolarHBondContact O-N 3.43Å |
| 172 | S | 40.4 | Very low | 42.6 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | | | trans | 3.3 | 112.1 | 161.4 | -41.4 | 0 | 0 | 0 | 0 | 112.9 | P170 N174 | P170-S172 PolarHBondContact O-N 2.87Å; S172-N174 VanDerWaalsContact C-N 3.35Å; S172-N174 PolarHBondContact O-N 3.32Å |
| 173 | Y | 41.1 | Very low | 43.8 | Very low | 227 Ų | 227 | 118.7 Ų | 118.7 | 89% | 0.89 | 67% | 0.672 | S | S | * | * | | | trans | -40.8 | 106.2 | 159.9 | -85.2 | -96.8 | 0 | 0 | 0 | 107.8 | S171 S175 | S171-Y173 PolarHBondContact O-N 3.43Å; Y173-S175 PolarHBondContact O-N 2.88Å |
| 174 | N | 44.5 | Very low | 44.9 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 62% | 0.615 | 66% | 0.661 | S | S | * | * | | | trans | -58.3 | 113.1 | 167 | -92 | -17.1 | 0 | 0 | 0 | 104.6 | S172 P176 | S172-N174 VanDerWaalsContact C-N 3.35Å; S172-N174 PolarHBondContact O-N 3.32Å; N174-P176 WeakPolarHBondContact O-CD 3.32Å |
| 175 | S | 43.4 | Very low | 46 | Very low | 56 Ų | 56 | 117.2 Ų | 117.2 | 39% | 0.392 | 65% | 0.651 | S | S | . | * | | | trans | -54.5 | 123.6 | 177 | 48 | 0 | 0 | 0 | 0 | 107.6 | Y173 T177 Q178 | Y173-S175 PolarHBondContact O-N 2.88Å; S175-T177 WeakPolarHBondContact CB-OG1 3.33Å; S175-T177 PolarHBondContact O-N 2.74Å; S175-T177 PolarHBondContact OG-OG1 2.77Å; S175-Q178 PolarHBondContact O-N 2.96Å |
| 176 | P | 49.9 | Very low | 47.1 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 62% | 0.623 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -58.9 | -12.2 | -175.1 | 19.5 | -31 | 0 | 0 | 0 | 113.6 | N174 L180 | N174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-L180 WeakPolarHBondContact O-CG 3.49Å; P176-L180 PolarHBondContact O-N 3.37Å |
| 177 | T | 51.8 | Low | 48.2 | Very low | 91 Ų | 91 | 114.7 Ų | 114.7 | 56% | 0.558 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.8 | -34 | 171.4 | 43.8 | 0 | 0 | 0 | 0 | 113.7 | S175 Q181 | S175-T177 WeakPolarHBondContact CB-OG1 3.33Å; S175-T177 PolarHBondContact O-N 2.74Å; S175-T177 PolarHBondContact OG-OG1 2.77Å; T177-Q181 PolarHBondContact O-N 3.48Å |
| 178 | Q | 53.1 | Low | 49.5 | Very low | 107 Ų | 107 | 117.7 Ų | 117.7 | 50% | 0.5 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -73.1 | -40.1 | 177.6 | -85.9 | -173.7 | -19.4 | 0 | 0 | 112.3 | S175 L180 Q181 N182 | S175-Q178 PolarHBondContact O-N 2.96Å; Q178-L180 VanDerWaalsContact C-N 3.29Å; Q178-L180 PolarHBondContact O-N 3.43Å; Q178-Q181 PolarHBondContact O-N 3.06Å; Q178-N182 PolarHBondContact O-N 3.45Å |
| 179 | D | 53.7 | Low | 50.3 | Low | 88 Ų | 88 | 114.1 Ų | 114.1 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.5 | -33.2 | 177.3 | -79.8 | -26 | 0 | 0 | 0 | 112.1 | N183 | D179-N183 WeakPolarHBondContact O-CB 3.47Å; D179-N183 PolarHBondContact O-N 3.11Å; D179-N183 PolarHBondContact O-ND2 3.42Å |
| 180 | L | 54.9 | Low | 51.5 | Low | 108 Ų | 108 | 110.7 Ų | 110.7 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.4 | -42.1 | 173.1 | -78.3 | 162.8 | 0 | 0 | 0 | 112.1 | P176 Q178 N183 F184 | P176-L180 WeakPolarHBondContact O-CG 3.49Å; P176-L180 PolarHBondContact O-N 3.37Å; Q178-L180 VanDerWaalsContact C-N 3.29Å; Q178-L180 PolarHBondContact O-N 3.43Å; L180-N183 PolarHBondContact O-N 2.95Å; L180-F184 PolarHBondContact O-N 3.26Å |
| 181 | Q | 55.6 | Low | 52 | Low | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.612 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.4 | -43.9 | 176.3 | -81.4 | -171.5 | -25 | 0 | 0 | 112.4 | T177 Q178 N183 F184 H185 | T177-Q181 PolarHBondContact O-N 3.48Å; Q178-Q181 PolarHBondContact O-N 3.06Å; Q181-N183 VanDerWaalsContact C-N 3.32Å; Q181-N183 PolarHBondContact O-N 3.21Å; Q181-F184 PolarHBondContact O-N 3.1Å; Q181-H185 PolarHBondContact O-N 3.07Å |
| 182 | N | 56.3 | Low | 52.9 | Low | 106 Ų | 106 | 110.8 Ų | 110.8 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.9 | -38.6 | 176.8 | -76.1 | -20.9 | 0 | 0 | 0 | 111.8 | Q178 R186 | Q178-N182 PolarHBondContact O-N 3.45Å; N182-R186 WeakPolarHBondContact O-CB 3.24Å; N182-R186 PolarHBondContact O-N 2.99Å; N182-R186 VanDerWaalsContact O-N 3.11Å |
| 183 | N | 54.5 | Low | 53.9 | Low | 90 Ų | 90 | 111.1 Ų | 111.1 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.1 | -39.8 | 173.6 | -87.3 | -53.6 | 0 | 0 | 0 | 112.4 | D179 L180 Q181 H185 R186 V187 | D179-N183 WeakPolarHBondContact O-CB 3.47Å; D179-N183 PolarHBondContact O-N 3.11Å; D179-N183 PolarHBondContact O-ND2 3.42Å; L180-N183 PolarHBondContact O-N 2.95Å; Q181-N183 VanDerWaalsContact C-N 3.32Å; Q181-N183 PolarHBondContact O-N 3.21Å; N183-H185 PolarHBondContact O-N 2.97Å; N183-R186 PolarHBondContact O-N 3.01Å; N183-V187 WeakPolarHBondContact O-CG2 3.46Å; N183-V187 PolarHBondContact O-N 2.75Å |
| 184 | F | 55.6 | Low | 54.9 | Low | 150 Ų | 150 | 105 Ų | 105 | 66% | 0.658 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.9 | -45.4 | 176.8 | -109.2 | -84.1 | 0 | 0 | 0 | 112.1 | L180 Q181 R186 V187 Q188 | L180-F184 PolarHBondContact O-N 3.26Å; Q181-F184 PolarHBondContact O-N 3.1Å; F184-R186 VanDerWaalsContact C-N 3.32Å; F184-R186 PolarHBondContact O-N 2.88Å; F184-V187 PolarHBondContact O-N 3.29Å; F184-Q188 WeakPolarHBondContact O-CB 3.47Å; F184-Q188 PolarHBondContact O-N 2.94Å |
| 185 | H | 55.9 | Low | 55.6 | Low | 121 Ų | 121 | 102.3 Ų | 102.3 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.8 | -37.5 | 176.8 | -70.8 | -31.1 | 0 | 0 | 0 | 112.7 | Q181 N183 Q188 A189 | Q181-H185 PolarHBondContact O-N 3.07Å; N183-H185 PolarHBondContact O-N 2.97Å; H185-Q188 PolarHBondContact O-N 2.91Å; H185-A189 PolarHBondContact O-N 2.86Å |
| 186 | R | 54.8 | Low | 56.5 | Low | 197 Ų | 197 | 104.4 Ų | 104.4 | 74% | 0.743 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.2 | -39.7 | 177.8 | -165.8 | 173.7 | 178.1 | -116.3 | -1.8 | 112.6 | N182 N183 F184 G190 | N182-R186 WeakPolarHBondContact O-CB 3.24Å; N182-R186 PolarHBondContact O-N 2.99Å; N182-R186 VanDerWaalsContact O-N 3.11Å; N183-R186 PolarHBondContact O-N 3.01Å; F184-R186 VanDerWaalsContact C-N 3.32Å; F184-R186 PolarHBondContact O-N 2.88Å; R186-G190 PolarHBondContact O-N 2.67Å |
| 187 | V | 57.9 | Low | 57 | Low | 103 Ų | 103 | 103.7 Ų | 103.7 | 62% | 0.624 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.3 | -40 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | N183 F184 G190 Y191 | N183-V187 WeakPolarHBondContact O-CG2 3.46Å; N183-V187 PolarHBondContact O-N 2.75Å; F184-V187 PolarHBondContact O-N 3.29Å; V187-G190 PolarHBondContact O-N 3.35Å; V187-Y191 PolarHBondContact O-N 3.27Å |
| 188 | Q | 57.5 | Low | 57.1 | Low | 117 Ų | 117 | 104.9 Ų | 104.9 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.7 | -37.3 | -179.5 | -159.5 | 172.6 | 4.6 | 0 | 0 | 112.6 | F184 H185 Y191 N192 | F184-Q188 WeakPolarHBondContact O-CB 3.47Å; F184-Q188 PolarHBondContact O-N 2.94Å; H185-Q188 PolarHBondContact O-N 2.91Å; Q188-Y191 PolarHBondContact O-N 3.23Å; Q188-N192 PolarHBondContact O-N 3.41Å |
| 189 | A | 55.8 | Low | 57.1 | Low | 53 Ų | 53 | 107.2 Ų | 107.2 | 44% | 0.438 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | H185 Y191 N192 D193 | H185-A189 PolarHBondContact O-N 2.86Å; A189-Y191 VanDerWaalsContact C-N 3.3Å; A189-Y191 PolarHBondContact O-N 2.94Å; A189-N192 PolarHBondContact O-N 2.99Å; A189-D193 PolarHBondContact O-N 3.2Å; A189-D193 VanDerWaalsContact O-N 3.12Å |
| 190 | G | 59.2 | Low | 57.1 | Low | 29 Ų | 29 | 107.4 Ų | 107.4 | 30% | 0.299 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.6 | -34.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R186 V187 D193 I194 | R186-G190 PolarHBondContact O-N 2.67Å; V187-G190 PolarHBondContact O-N 3.35Å; G190-D193 PolarHBondContact O-N 2.82Å; G190-I194 WeakPolarHBondContact O-CD1 3.49Å; G190-I194 VanDerWaalsContact O-CG1 3.24Å; G190-I194 WeakPolarHBondContact O-CG1 3.41Å; G190-I194 PolarHBondContact O-N 2.78Å |
| 191 | Y | 55 | Low | 57.1 | Low | 149 Ų | 149 | 109.5 Ų | 109.5 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.5 | -39.5 | 177.7 | -163.5 | -102.3 | 0 | 0 | 0 | 112.5 | V187 Q188 A189 I194 L195 | V187-Y191 PolarHBondContact O-N 3.27Å; Q188-Y191 PolarHBondContact O-N 3.23Å; A189-Y191 VanDerWaalsContact C-N 3.3Å; A189-Y191 PolarHBondContact O-N 2.94Å; Y191-I194 PolarHBondContact O-N 3.44Å; Y191-L195 HydrophobicContact CD1-CD1 3.66Å; Y191-L195 HydrophobicContact CD1-CG 4.19Å; Y191-L195 HydrophobicContact CE1-CD1 3.43Å; Y191-L195 VanDerWaalsContact CE1-CD1 3.43Å; Y191-L195 HydrophobicContact CE1-CG 3.96Å; Y191-L195 WeakPolarHBondContact O-CB 3.37Å; Y191-L195 WeakPolarHBondContact O-CG 3.24Å; Y191-L195 PolarHBondContact O-N 3.33Å |
| 192 | N | 59.2 | Low | 56.8 | Low | 89 Ų | 89 | 110.7 Ų | 110.7 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -37.1 | 175.3 | -81.3 | -16.7 | 0 | 0 | 0 | 112.3 | Q188 A189 L195 N196 | Q188-N192 PolarHBondContact O-N 3.41Å; A189-N192 PolarHBondContact O-N 2.99Å; N192-L195 PolarHBondContact O-N 3.01Å; N192-N196 WeakPolarHBondContact O-CB 3.3Å; N192-N196 PolarHBondContact O-N 3.16Å; N192-N196 PolarHBondContact O-ND2 3.35Å |
| 193 | D | 62.7 | Low | 56.6 | Low | 110 Ų | 110 | 113.8 Ų | 113.8 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.8 | -42.2 | 175.7 | -70.4 | -19.2 | 0 | 0 | 0 | 111.4 | A189 G190 N196 A197 | A189-D193 PolarHBondContact O-N 3.2Å; A189-D193 VanDerWaalsContact O-N 3.12Å; G190-D193 PolarHBondContact O-N 2.82Å; D193-N196 PolarHBondContact O-N 3.14Å; D193-A197 VanDerWaalsContact O-CB 3.3Å; D193-A197 WeakPolarHBondContact O-CB 3.38Å; D193-A197 PolarHBondContact O-N 3.36Å |
| 194 | I | 60.7 | Low | 56.3 | Low | 100 Ų | 100 | 115.6 Ų | 115.6 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.9 | -42.9 | 175.6 | -66.1 | 164.3 | 0 | 0 | 0 | 110.7 | G190 Y191 A197 M198 | G190-I194 WeakPolarHBondContact O-CD1 3.49Å; G190-I194 VanDerWaalsContact O-CG1 3.24Å; G190-I194 WeakPolarHBondContact O-CG1 3.41Å; G190-I194 PolarHBondContact O-N 2.78Å; Y191-I194 PolarHBondContact O-N 3.44Å; I194-A197 PolarHBondContact O-N 3.12Å; I194-M198 HydrophobicContact CG2-CG 4.36Å; I194-M198 HydrophobicContact CG2-SD 3.91Å; I194-M198 WeakPolarHBondContact O-CB 3.45Å; I194-M198 WeakPolarHBondContact O-CG 3.34Å; I194-M198 PolarHBondContact O-N 3.14Å |
| 195 | L | 59.8 | Low | 56 | Low | 57 Ų | 57 | 117.5 Ų | 117.5 | 30% | 0.298 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64 | -42.2 | 177.5 | -81.8 | 175.9 | 0 | 0 | 0 | 112.3 | Y191 N192 A197 M198 Y199 | Y191-L195 HydrophobicContact CD1-CD1 3.66Å; Y191-L195 HydrophobicContact CD1-CG 4.19Å; Y191-L195 HydrophobicContact CE1-CD1 3.43Å; Y191-L195 VanDerWaalsContact CE1-CD1 3.43Å; Y191-L195 HydrophobicContact CE1-CG 3.96Å; Y191-L195 WeakPolarHBondContact O-CB 3.37Å; Y191-L195 WeakPolarHBondContact O-CG 3.24Å; Y191-L195 PolarHBondContact O-N 3.33Å; N192-L195 PolarHBondContact O-N 3.01Å; L195-A197 VanDerWaalsContact C-N 3.31Å; L195-A197 PolarHBondContact O-N 3.11Å; L195-M198 PolarHBondContact O-N 2.86Å; L195-Y199 HydrophobicContact CD2-CD2 4.3Å; L195-Y199 HydrophobicContact CD2-CE2 4.45Å; L195-Y199 WeakPolarHBondContact O-CA 3.41Å; L195-Y199 PolarHBondContact O-N 2.78Å |
| 196 | N | 61.6 | Low | 55.6 | Low | 100 Ų | 100 | 121.9 Ų | 121.9 | 54% | 0.535 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.9 | -30.3 | 176.7 | -75.7 | -22.3 | 0 | 0 | 0 | 112.5 | N192 D193 Y199 P200 | N192-N196 WeakPolarHBondContact O-CB 3.3Å; N192-N196 PolarHBondContact O-N 3.16Å; N192-N196 PolarHBondContact O-ND2 3.35Å; D193-N196 PolarHBondContact O-N 3.14Å; N196-Y199 CarbonylContact O-C 3.33Å; N196-P200 WeakPolarHBondContact O-CA 3.39Å; N196-P200 VanDerWaalsContact O-N 3.14Å |
| 197 | A | 60.9 | Low | 55.1 | Low | 82 Ų | 82 | 115.7 Ų | 115.7 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74 | -37.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D193 I194 L195 | D193-A197 VanDerWaalsContact O-CB 3.3Å; D193-A197 WeakPolarHBondContact O-CB 3.38Å; D193-A197 PolarHBondContact O-N 3.36Å; I194-A197 PolarHBondContact O-N 3.12Å; L195-A197 VanDerWaalsContact C-N 3.31Å; L195-A197 PolarHBondContact O-N 3.11Å |
| 198 | M | 53.7 | Low | 54.8 | Low | 115 Ų | 115 | 116.7 Ų | 116.7 | 57% | 0.567 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.7 | -39 | 178.3 | -79.4 | -178.9 | 19.8 | 0 | 0 | 112.9 | I194 L195 P200 | I194-M198 HydrophobicContact CG2-CG 4.36Å; I194-M198 HydrophobicContact CG2-SD 3.91Å; I194-M198 WeakPolarHBondContact O-CB 3.45Å; I194-M198 WeakPolarHBondContact O-CG 3.34Å; I194-M198 PolarHBondContact O-N 3.14Å; L195-M198 PolarHBondContact O-N 2.86Å; M198-P200 WeakPolarHBondContact O-CD 3.27Å |
| 199 | Y | 54.4 | Low | 54.3 | Low | 156 Ų | 156 | 119.9 Ų | 119.9 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -122.4 | 82.2 | 175.3 | -58.4 | -81.4 | 0 | 0 | 0 | 106.5 | L195 N196 M201 | L195-Y199 HydrophobicContact CD2-CD2 4.3Å; L195-Y199 HydrophobicContact CD2-CE2 4.45Å; L195-Y199 WeakPolarHBondContact O-CA 3.41Å; L195-Y199 PolarHBondContact O-N 2.78Å; N196-Y199 CarbonylContact O-C 3.33Å; Y199-M201 PolarHBondContact O-N 3.37Å |
| 200 | P | 54.1 | Low | 54 | Low | 92 Ų | 92 | 128 Ų | 128 | 60% | 0.597 | 63% | 0.631 | S | S | * | * | | | trans | -57.6 | 99.4 | 161.1 | 24.1 | -29.7 | 0 | 0 | 0 | 104.7 | N196 M198 N202 | N196-P200 WeakPolarHBondContact O-CA 3.39Å; N196-P200 VanDerWaalsContact O-N 3.14Å; M198-P200 WeakPolarHBondContact O-CD 3.27Å; P200-N202 PolarHBondContact O-N 2.86Å |
| 201 | M | 54.1 | Low | 53.4 | Low | 153 Ų | 153 | 131 Ų | 131 | 75% | 0.754 | 65% | 0.653 | S | S | * | * | | | trans | -47.8 | 120.8 | 170.8 | -83.2 | -76.8 | -79.3 | 0 | 0 | 103.9 | Y199 Q203 | Y199-M201 PolarHBondContact O-N 3.37Å; M201-Q203 PolarHBondContact O-N 3.5Å |
| 202 | N | 49.4 | Very low | 52.9 | Low | 155 Ų | 155 | 132.3 Ų | 132.3 | 83% | 0.829 | 66% | 0.662 | S | S | * | * | | | trans | -58 | 77.9 | 176.6 | -65.9 | -56.7 | 0 | 0 | 0 | 106.9 | P200 E204 | P200-N202 PolarHBondContact O-N 2.86Å; N202-E204 PolarHBondContact O-N 3.31Å |
| 203 | Q | 51 | Low | 52.3 | Low | 171 Ų | 171 | 132.5 Ų | 132.5 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | | | trans | -61.3 | 91.4 | 148.8 | -76.1 | -176.3 | 4.7 | 0 | 0 | 101 | M201 R205 | M201-Q203 PolarHBondContact O-N 3.5Å; Q203-R205 PolarHBondContact O-N 2.93Å |
| 204 | E | 48.9 | Very low | 51.5 | Low | 129 Ų | 129 | 133.2 Ų | 133.2 | 60% | 0.603 | 67% | 0.672 | S | S | * | * | | | trans | -41.8 | 95.5 | 158.6 | -64.5 | 177.5 | 169 | 0 | 0 | 104.4 | N202 R206 | N202-E204 PolarHBondContact O-N 3.31Å; E204-R206 HydrophobicContact CB-CG 3.91Å; E204-R206 PolarHBondContact O-N 3.44Å; E204-R206 IonicContact OE2-CZ 3.98Å; E204-R206 VanDerWaalsContact OE2-CZ 3.27Å; E204-R206 IonicContact OE2-NE 2.8Å; E204-R206 PolarHBondContact OE2-NE 2.7Å; E204-R206 IonicContact OE2-NH2 3.35Å; E204-R206 PolarHBondContact OE2-NH2 3.43Å |
| 205 | R | 50.2 | Low | 50.7 | Low | 190 Ų | 190 | 136.3 Ų | 136.3 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | | | trans | -69.1 | 68.9 | 166.7 | -70.8 | -164.3 | -164.8 | -174.3 | 4.7 | 105.2 | Q203 G207 E208 | Q203-R205 PolarHBondContact O-N 2.93Å; R205-G207 PolarHBondContact O-N 2.89Å; R205-E208 IonicContact CZ-OE2 3.75Å; R205-E208 IonicContact NH1-OE1 3.27Å; R205-E208 IonicContact NH1-OE2 3.07Å; R205-E208 PolarHBondContact NH1-OE2 3.37Å |
| 206 | R | 47.8 | Very low | 50.1 | Low | 212 Ų | 212 | 142.6 Ų | 142.6 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 94.2 | 163.4 | -63.2 | -164.4 | -167.4 | -156.8 | 3.9 | 104.7 | E204 | E204-R206 HydrophobicContact CB-CG 3.91Å; E204-R206 PolarHBondContact O-N 3.44Å; E204-R206 IonicContact OE2-CZ 3.98Å; E204-R206 VanDerWaalsContact OE2-CZ 3.27Å; E204-R206 IonicContact OE2-NE 2.8Å; E204-R206 PolarHBondContact OE2-NE 2.7Å; E204-R206 IonicContact OE2-NH2 3.35Å; E204-R206 PolarHBondContact OE2-NH2 3.43Å |
| 207 | G | 42.4 | Very low | 49.4 | Very low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.4 | 2.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | R205 E209 | R205-G207 PolarHBondContact O-N 2.89Å; G207-E209 PolarHBondContact O-N 3.07Å |
| 208 | E | 51.5 | Low | 48.5 | Very low | 125 Ų | 125 | 147 Ų | 147 | 58% | 0.584 | 72% | 0.717 | S | S | * | * | | | trans | -84.7 | 72.2 | 159.9 | -71.1 | -177.6 | -178.6 | 0 | 0 | 107.4 | R205 Y210 | R205-E208 IonicContact CZ-OE2 3.75Å; R205-E208 IonicContact NH1-OE1 3.27Å; R205-E208 IonicContact NH1-OE2 3.07Å; R205-E208 PolarHBondContact NH1-OE2 3.37Å; E208-Y210 VanDerWaalsContact C-N 3.33Å; E208-Y210 PolarHBondContact O-N 3.12Å |
| 209 | E | 48 | Very low | 47.8 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | | | trans | -48.6 | 111.1 | 150.9 | -93 | -179.9 | 160.9 | 0 | 0 | 105.3 | G207 A211 | G207-E209 PolarHBondContact O-N 3.07Å; E209-A211 VanDerWaalsContact C-N 3.29Å; E209-A211 PolarHBondContact O-N 3.46Å |
| 210 | Y | 48.7 | Very low | 47.2 | Very low | 223 Ų | 223 | 142.1 Ų | 142.1 | 88% | 0.875 | 72% | 0.724 | S | S | * | * | | | trans | -50.9 | 104.2 | 169.6 | -68.3 | -87.3 | 0 | 0 | 0 | 106.1 | E208 K212 | E208-Y210 VanDerWaalsContact C-N 3.33Å; E208-Y210 PolarHBondContact O-N 3.12Å; Y210-K212 VanDerWaalsContact C-N 3.33Å; Y210-K212 PolarHBondContact O-N 2.94Å |
| 211 | A | 46.3 | Very low | 46.9 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | | | trans | -50.2 | 110.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 104.2 | E209 P213 | E209-A211 VanDerWaalsContact C-N 3.29Å; E209-A211 PolarHBondContact O-N 3.46Å; A211-P213 WeakPolarHBondContact O-CD 3.42Å; A211-P213 VanDerWaalsContact O-N 3.08Å |
| 212 | K | 44.7 | Very low | 45.9 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | | | trans | -48.8 | 125.8 | 173.3 | -101.1 | 177.9 | 175 | 177.2 | 0 | 104.9 | Y210 D214 | Y210-K212 VanDerWaalsContact C-N 3.33Å; Y210-K212 PolarHBondContact O-N 2.94Å; K212-D214 VanDerWaalsContact C-N 3.29Å; K212-D214 PolarHBondContact O-N 3.17Å |
| 213 | P | 47.9 | Very low | 45.5 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 60% | 0.604 | 71% | 0.713 | S | S | * | * | | | trans | -62.1 | 100.8 | 178.4 | 17.4 | -22.4 | 0 | 0 | 0 | 106.8 | A211 F215 | A211-P213 WeakPolarHBondContact O-CD 3.42Å; A211-P213 VanDerWaalsContact O-N 3.08Å; P213-F215 VanDerWaalsContact C-N 3.32Å; P213-F215 HydrophobicContact CG-CE2 4.32Å; P213-F215 WeakPolarHBondContact O-CD2 3.36Å; P213-F215 PolarHBondContact O-N 3.45Å |
| 214 | D | 45.4 | Very low | 44.9 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 67% | 0.674 | 71% | 0.713 | S | S | * | * | | | trans | -65.3 | 101.2 | 169.1 | -75.1 | -22.3 | 0 | 0 | 0 | 105.4 | K212 E216 T217 | K212-D214 VanDerWaalsContact C-N 3.29Å; K212-D214 PolarHBondContact O-N 3.17Å; D214-E216 PolarHBondContact O-N 2.91Å; D214-T217 PolarHBondContact O-N 3.1Å; D214-T217 PolarHBondContact O-OG1 3.22Å |
| 215 | F | 43.9 | Very low | 44.5 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 6.6 | -177.1 | -84.5 | -86.8 | 0 | 0 | 0 | 114.1 | P213 F218 | P213-F215 VanDerWaalsContact C-N 3.32Å; P213-F215 HydrophobicContact CG-CE2 4.32Å; P213-F215 WeakPolarHBondContact O-CD2 3.36Å; P213-F215 PolarHBondContact O-N 3.45Å; F215-F218 HydrophobicContact CD1-CE2 4.18Å |
| 216 | E | 47.8 | Very low | 44.1 | Very low | 188 Ų | 188 | 137 Ų | 137 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -12.2 | -179.4 | -65.8 | -170.8 | 169 | 0 | 0 | 114.2 | D214 | D214-E216 PolarHBondContact O-N 2.91Š|
| 217 | T | 45.7 | Very low | 43.8 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 58% | 0.577 | 73% | 0.734 | S | S | * | * | | | trans | -101.8 | 12.3 | -174.1 | 37.3 | 0 | 0 | 0 | 0 | 116.6 | D214 G219 | D214-T217 PolarHBondContact O-N 3.1Å; D214-T217 PolarHBondContact O-OG1 3.22Å; T217-G219 PolarHBondContact O-N 2.96Å |
| 218 | F | 43.3 | Very low | 43.5 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 79% | 0.789 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 4.7 | 169.7 | -79.2 | -74.3 | 0 | 0 | 0 | 114.5 | F215 | F215-F218 HydrophobicContact CD1-CE2 4.18Š|
| 219 | G | 37.8 | Very low | 42.7 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -20.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | T217 | T217-G219 PolarHBondContact O-N 2.96Š|
| 220 | T | 42.6 | Very low | 42.5 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.8 | -7.4 | -164.1 | 26.2 | 0 | 0 | 0 | 0 | 117.9 | G222 | T220-G222 VanDerWaalsContact C-N 3.27Å; T220-G222 PolarHBondContact O-N 2.74Å |
| 221 | V | 46.5 | Very low | 42 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -13.3 | -175.6 | -165.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 222 | G | 34.3 | Very low | 41.9 | Very low | 59 Ų | 59 | 133.3 Ų | 133.3 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -14.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | T220 | T220-G222 VanDerWaalsContact C-N 3.27Å; T220-G222 PolarHBondContact O-N 2.74Å |
| 223 | A | 41.5 | Very low | 41.9 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 60% | 0.603 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -87.6 | -16.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 224 | N | 38.2 | Very low | 41.4 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -98 | 5.8 | -171.8 | -76.5 | -0.6 | 0 | 0 | 0 | 115.3 | Y226 | N224-Y226 VanDerWaalsContact C-N 3.29Å; N224-Y226 PolarHBondContact O-N 2.81Å |
| 225 | M | 39.6 | Very low | 41 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -85 | 7.4 | 178.6 | -66.7 | -164.9 | -70.2 | 0 | 0 | 114.6 | | |
| 226 | Y | 42 | Very low | 40.7 | Very low | 218 Ų | 218 | 139.9 Ų | 139.9 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -114.3 | 15.2 | -176.9 | -80.9 | -77.9 | 0 | 0 | 0 | 116.4 | N224 | N224-Y226 VanDerWaalsContact C-N 3.29Å; N224-Y226 PolarHBondContact O-N 2.81Å |
| 227 | E | 42.1 | Very low | 40.1 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -115.1 | 14.1 | 175.8 | -78.1 | -155.4 | 159.9 | 0 | 0 | 115.7 | | |
| 228 | G | 35.3 | Very low | 39.5 | Very low | 82 Ų | 82 | 143.5 Ų | 143.5 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -104.3 | 88.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 229 | G | 35.7 | Very low | 39.2 | Very low | 64 Ų | 64 | 139.8 Ų | 139.8 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | | | trans | 171 | -6.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 230 | L | 42.3 | Very low | 39 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | trans | -109.8 | 74.8 | 174.9 | -65.6 | 176.8 | 0 | 0 | 0 | 110.6 | K232 | L230-K232 PolarHBondContact O-N 2.83Š|
| 231 | S | 39.6 | Very low | 38.6 | Very low | 99 Ų | 99 | 145.7 Ų | 145.7 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | | | trans | -45.6 | 125.9 | 160.1 | 52.4 | 0 | 0 | 0 | 0 | 109.4 | E233 | S231-E233 PolarHBondContact O-N 2.8Š|
| 232 | K | 43.6 | Very low | 38.1 | Very low | 214 Ų | 214 | 147.4 Ų | 147.4 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 15 | -173.2 | -67.7 | -178.4 | 176.3 | 178.2 | 0 | 115.8 | L230 | L230-K232 PolarHBondContact O-N 2.83Š|
| 233 | E | 44.5 | Very low | 38 | Very low | 178 Ų | 178 | 150 Ų | 150 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 2.3 | -164.5 | -107.3 | -179.8 | 176.5 | 0 | 0 | 116.2 | S231 | S231-E233 PolarHBondContact O-N 2.8Š|
| 234 | K | 37.8 | Very low | 37.6 | Very low | 199 Ų | 199 | 154.9 Ų | 154.9 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | | | trans | -130.1 | 27.1 | -177.5 | -92.7 | -173 | 179.1 | 179.1 | 0 | 116.5 | A236 | K234-A236 PolarHBondContact O-N 2.57Å; K234-A236 VanDerWaalsContact O-N 3.1Å |
| 235 | R | 37.7 | Very low | 37.5 | Very low | 252 Ų | 252 | 155.4 Ų | 155.4 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | | | trans | -84.6 | 61.4 | 156.7 | -71.7 | -171.2 | 178.5 | -176.6 | 0.4 | 109.6 | N237 | R235-N237 PolarHBondContact O-N 2.83Š|
| 236 | A | 37.7 | Very low | 37.2 | Very low | 69 Ų | 69 | 159.6 Ų | 159.6 | 57% | 0.57 | 82% | 0.815 | S | S | * | * | | | trans | -75.5 | 118 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | K234 | K234-A236 PolarHBondContact O-N 2.57Å; K234-A236 VanDerWaalsContact O-N 3.1Å |
| 237 | N | 34.6 | Very low | 37 | Very low | 152 Ų | 152 | 159.9 Ų | 159.9 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | trans | 49.1 | 75.8 | 142.7 | -55.4 | -24.9 | 0 | 0 | 0 | 116.6 | R235 | R235-N237 PolarHBondContact O-N 2.83Š|
| 238 | F | 33.7 | Very low | 36.7 | Very low | 207 Ų | 207 | 155 Ų | 155 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | | | trans | -97.4 | 114.8 | 143.9 | -87.7 | -79.6 | 0 | 0 | 0 | 108.3 | | |
| 239 | P | 36.4 | Very low | 36.9 | Very low | 102 Ų | 102 | 160.3 Ų | 160.3 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | | | trans | -75.1 | 127.7 | -179.3 | 29.3 | -31.9 | 0 | 0 | 0 | 111.2 | T241 | P239-T241 PolarHBondContact O-N 3.2Å; P239-T241 VanDerWaalsContact O-N 3.16Å |
| 240 | D | 33.2 | Very low | 37.1 | Very low | 162 Ų | 162 | 163.5 Ų | 163.5 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | | | trans | 23.2 | 79.1 | 137.7 | -60.5 | -24.6 | 0 | 0 | 0 | 117.1 | | |
| 241 | T | 34.8 | Very low | 36.6 | Very low | 131 Ų | 131 | 163 Ų | 163 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -145.8 | 94 | 151 | 40.5 | 0 | 0 | 0 | 0 | 108.1 | P239 | P239-T241 PolarHBondContact O-N 3.2Å; P239-T241 VanDerWaalsContact O-N 3.16Å |
| 242 | L | 34.6 | Very low | 36.6 | Very low | 159 Ų | 159 | 164 Ų | 164 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -175.9 | 109.6 | 137.2 | -91.7 | -175.7 | 0 | 0 | 0 | 108.8 | F244 | L242-F244 PolarHBondContact O-N 3.41Š|
| 243 | P | 32.8 | Very low | 36.3 | Very low | 113 Ų | 113 | 162 Ų | 162 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -92 | 84 | -178.7 | 35.6 | -28.8 | 0 | 0 | 0 | 109.2 | | |
| 244 | F | 34.3 | Very low | 36 | Very low | 176 Ų | 176 | 159.4 Ų | 159.4 | 77% | 0.772 | 81% | 0.806 | S | S | * | * | | | trans | -137.8 | 126 | 169.5 | -85.9 | -82 | 0 | 0 | 0 | 111.5 | L242 | L242-F244 PolarHBondContact O-N 3.41Š|
| 245 | M | 35.6 | Very low | 35.8 | Very low | 159 Ų | 159 | 153.2 Ų | 153.2 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | 80.3 | 86.1 | 159.3 | -51.2 | -94.6 | -97.3 | 0 | 0 | 113.5 | Y247 | M245-Y247 PolarHBondContact O-N 2.86Š|
| 246 | R | 33.2 | Very low | 35.7 | Very low | 248 Ų | 248 | 149.1 Ų | 149.1 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | trans | -43.3 | 108.3 | 152.2 | -61.7 | -179.1 | -174.2 | -173.2 | 1 | 108 | S248 | R246-S248 VanDerWaalsContact C-N 3.32Å; R246-S248 PolarHBondContact O-N 2.73Å |
| 247 | Y | 37.8 | Very low | 35.6 | Very low | 225 Ų | 225 | 149.9 Ų | 149.9 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -65 | 101.8 | 160 | -77.1 | -88.4 | 0 | 0 | 0 | 106.2 | M245 E249 | M245-Y247 PolarHBondContact O-N 2.86Å; Y247-E249 VanDerWaalsContact C-N 3.33Å; Y247-E249 PolarHBondContact O-N 3.17Å |
| 248 | S | 34.7 | Very low | 35.8 | Very low | 92 Ų | 92 | 151.5 Ų | 151.5 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | | | trans | -64.8 | 97.4 | 164.2 | 55 | 0 | 0 | 0 | 0 | 107.6 | R246 N250 | R246-S248 VanDerWaalsContact C-N 3.32Å; R246-S248 PolarHBondContact O-N 2.73Å; S248-N250 PolarHBondContact O-N 2.7Å |
| 249 | E | 40.7 | Very low | 35.9 | Very low | 194 Ų | 194 | 150.6 Ų | 150.6 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | S | Bend | | 32.5 | 30.8 | 123 | -149.4 | 165 | -175 | 0 | 0 | 119.4 | Y247 | Y247-E249 VanDerWaalsContact C-N 3.33Å; Y247-E249 PolarHBondContact O-N 3.17Å |
| 250 | N | 38.6 | Very low | 35.8 | Very low | 131 Ų | 131 | 150 Ų | 150 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | | | trans | -132.9 | 16.5 | -179.2 | -83.3 | -24.9 | 0 | 0 | 0 | 114.5 | S248 P252 | S248-N250 PolarHBondContact O-N 2.7Å; N250-P252 VanDerWaalsContact C-CD 3.48Å; N250-P252 WeakPolarHBondContact O-CD 3.45Å |
| 251 | D | 33.4 | Very low | 36.2 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -108.7 | 88.6 | 166.4 | -77.4 | -35.9 | 0 | 0 | 0 | 110.1 | | |
| 252 | P | 39.8 | Very low | 36.4 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | trans | -63 | 138.6 | 168.3 | 26.5 | -30.9 | 0 | 0 | 0 | 109.9 | N250 | N250-P252 VanDerWaalsContact C-CD 3.48Å; N250-P252 WeakPolarHBondContact O-CD 3.45Å |
| 253 | M | 35.7 | Very low | 36.5 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | | | trans | -42.6 | 154.5 | 176.6 | -67.9 | -155.9 | -45 | 0 | 0 | 115 | G255 | M253-G255 PolarHBondContact O-N 2.69Š|
| 254 | P | 38.5 | Very low | 36.9 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | trans | -67.5 | 99.6 | -166.8 | 27.7 | -34.9 | 0 | 0 | 0 | 111.7 | N256 | P254-N256 PolarHBondContact O-N 2.92Š|
| 255 | G | 33.9 | Very low | 37 | Very low | 69 Ų | 69 | 148.5 Ų | 148.5 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -78.1 | 107.8 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | M253 A257 | M253-G255 PolarHBondContact O-N 2.69Å; G255-A257 VanDerWaalsContact C-N 3.26Å; G255-A257 PolarHBondContact O-N 2.8Å |
| 256 | N | 36 | Very low | 36.8 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -55 | 86.4 | 161 | -75.2 | -12.1 | 0 | 0 | 0 | 110.1 | P254 | P254-N256 PolarHBondContact O-N 2.92Š|
| 257 | A | 35.9 | Very low | 36.8 | Very low | 84 Ų | 84 | 144.3 Ų | 144.3 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | | | trans | 171.7 | 79.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | G255 | G255-A257 VanDerWaalsContact C-N 3.26Å; G255-A257 PolarHBondContact O-N 2.8Å |
| 258 | M | 38 | Very low | 37.1 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | trans | -135.7 | 104.5 | 152.6 | -74.2 | -67.5 | -95.8 | 0 | 0 | 107.7 | A260 | M258-A260 PolarHBondContact O-N 2.94Š|
| 259 | Q | 35.2 | Very low | 37.3 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -31.5 | 123.9 | 170.6 | -69.5 | 154.2 | -5 | 0 | 0 | 111.7 | | |
| 260 | A | 35.3 | Very low | 37 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | | | trans | -58.9 | 141.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | M258 | M258-A260 PolarHBondContact O-N 2.94Š|
| 261 | P | 41.1 | Very low | 36.8 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -60.3 | 139.9 | -166.2 | -19.5 | 30.9 | 0 | 0 | 0 | 112.1 | V263 | P261-V263 VanDerWaalsContact C-N 3.33Å; P261-V263 PolarHBondContact O-N 3.08Å |
| 262 | H | 38.4 | Very low | 36.9 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | -60.6 | 94 | 169.4 | -147.4 | -35.3 | 0 | 0 | 0 | 108.4 | P264 | H262-P264 VanDerWaalsContact O-CD 3.31Å; H262-P264 WeakPolarHBondContact O-CD 3.44Å |
| 263 | V | 38.4 | Very low | 36.6 | Very low | 116 Ų | 116 | 140 Ų | 140 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | | | trans | -71.6 | 120 | 171.4 | -178.7 | 0 | 0 | 0 | 0 | 106.5 | P261 Q265 | P261-V263 VanDerWaalsContact C-N 3.33Å; P261-V263 PolarHBondContact O-N 3.08Å; V263-Q265 PolarHBondContact O-N 3.45Å; V263-Q265 VanDerWaalsContact O-N 3.16Å |
| 264 | P | 41.2 | Very low | 36.7 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | trans | -62.4 | 119.4 | -178.3 | -19.7 | 31.7 | 0 | 0 | 0 | 109.9 | H262 R266 | H262-P264 VanDerWaalsContact O-CD 3.31Å; H262-P264 WeakPolarHBondContact O-CD 3.44Å; P264-R266 PolarHBondContact O-N 3.1Å |
| 265 | Q | 34.7 | Very low | 36.8 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | -65 | 88.5 | 162.4 | -73.2 | -167.9 | -16.4 | 0 | 0 | 107.9 | V263 S267 | V263-Q265 PolarHBondContact O-N 3.45Å; V263-Q265 VanDerWaalsContact O-N 3.16Å; Q265-S267 PolarHBondContact O-N 3.38Å |
| 266 | R | 31.7 | Very low | 36.7 | Very low | 230 Ų | 230 | 140.2 Ų | 140.2 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -78.3 | 101.1 | 158.9 | -92.4 | -172 | 174.9 | -169.2 | -1.1 | 106.7 | P264 P268 | P264-R266 PolarHBondContact O-N 3.1Å; R266-P268 WeakPolarHBondContact O-CD 3.45Å |
| 267 | S | 33.5 | Very low | 36.5 | Very low | 90 Ų | 90 | 141.7 Ų | 141.7 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | trans | -54.9 | 115.7 | 157.3 | -56.5 | 0 | 0 | 0 | 0 | 108.2 | Q265 D269 | Q265-S267 PolarHBondContact O-N 3.38Å; S267-D269 PolarHBondContact O-N 2.8Å |
| 268 | P | 44.3 | Very low | 36.9 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | | | trans | -88.8 | 76.2 | 157.6 | 26.3 | -7.6 | 0 | 0 | 0 | 105.6 | R266 N270 | R266-P268 WeakPolarHBondContact O-CD 3.45Å; P268-N270 PolarHBondContact O-N 2.97Å |
| 269 | D | 38 | Very low | 37 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | -67.6 | 126.7 | 153.5 | -72.1 | -43.2 | 0 | 0 | 0 | 105.9 | S267 | S267-D269 PolarHBondContact O-N 2.8Š|
| 270 | N | 35.5 | Very low | 37.2 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 72.7 | 102.3 | 163.4 | -148.5 | 29.7 | 0 | 0 | 0 | 113.1 | P268 | P268-N270 PolarHBondContact O-N 2.97Š|
| 271 | E | 34.8 | Very low | 37.8 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | | -167.3 | 103 | 70.7 | -78 | 177 | 167.8 | 0 | 0 | 106.7 | | |
| 272 | N | 36.1 | Very low | 37.9 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | -143 | 91.4 | 148 | -123.1 | 8.6 | 0 | 0 | 0 | 107.8 | F274 | N272-F274 PolarHBondContact O-N 2.74Š|
| 273 | S | 33 | Very low | 38.3 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | -50.7 | 82.9 | 162.2 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 274 | F | 37.4 | Very low | 38.3 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | -132 | 110.9 | 153.1 | -83.9 | -77.4 | 0 | 0 | 0 | 107.8 | N272 A276 | N272-F274 PolarHBondContact O-N 2.74Å; F274-A276 PolarHBondContact O-N 2.93Å |
| 275 | P | 40.1 | Very low | 38 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | trans | -62.1 | 110.7 | 172.4 | 24.8 | -29.9 | 0 | 0 | 0 | 108 | | |
| 276 | A | 33.3 | Very low | 38 | Very low | 76 Ų | 76 | 142.8 Ų | 142.8 | 63% | 0.628 | 76% | 0.764 | S | S | * | * | | | trans | -65.3 | 135.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | F274 | F274-A276 PolarHBondContact O-N 2.93Š|
| 277 | Y | 31.7 | Very low | 38.4 | Very low | 197 Ų | 197 | 137.5 Ų | 137.5 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | 84.2 | 146.8 | 168.8 | -58 | -84.2 | 0 | 0 | 0 | 118.4 | | |
| 278 | P | 43.5 | Very low | 38.6 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | | | cis | -112.5 | 152.7 | 1.3 | 32.4 | -16.7 | 0 | 0 | 0 | 112.6 | S280 | P278-S280 PolarHBondContact O-N 2.79Å; P278-S280 VanDerWaalsContact O-N 3.08Å |
| 279 | F | 40.7 | Very low | 38.1 | Very low | 191 Ų | 191 | 140 Ų | 140 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -41.9 | 118.4 | 162.9 | -85 | -97.6 | 0 | 0 | 0 | 109.9 | | |
| 280 | S | 39.1 | Very low | 38.2 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62 | 127.1 | 167.1 | -62.2 | 0 | 0 | 0 | 0 | 107.6 | P278 L282 | P278-S280 PolarHBondContact O-N 2.79Å; P278-S280 VanDerWaalsContact O-N 3.08Å; S280-L282 PolarHBondContact O-N 3.2Å |
| 281 | P | 47.5 | Very low | 38.1 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 125.6 | 176.6 | 20.7 | -29.2 | 0 | 0 | 0 | 108.8 | | |
| 282 | L | 43.5 | Very low | 37.9 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 138.6 | 172.8 | -82.2 | 152.3 | 0 | 0 | 0 | 109 | S280 Q284 | S280-L282 PolarHBondContact O-N 3.2Å; L282-Q284 PolarHBondContact O-N 2.78Å; L282-Q284 VanDerWaalsContact O-N 3.16Å |
| 283 | P | 45.4 | Very low | 37.7 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 122.7 | -175.2 | 20 | -29.7 | 0 | 0 | 0 | 110.2 | Y285 | P283-Y285 VanDerWaalsContact C-N 3.32Å; P283-Y285 HydrophobicContact CG-CE2 4.35Å; P283-Y285 WeakPolarHBondContact O-CD2 3.46Å; P283-Y285 PolarHBondContact O-N 3.05Å |
| 284 | Q | 39.3 | Very low | 38 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -60.1 | 98.4 | 165.9 | -77.3 | -178.9 | -13.4 | 0 | 0 | 107.5 | L282 S286 | L282-Q284 PolarHBondContact O-N 2.78Å; L282-Q284 VanDerWaalsContact O-N 3.16Å; Q284-S286 VanDerWaalsContact C-N 3.33Å; Q284-S286 PolarHBondContact O-N 2.77Å |
| 285 | Y | 35.6 | Very low | 37.9 | Very low | 213 Ų | 213 | 136.9 Ų | 136.9 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | | | trans | -61.8 | 102.8 | 162.8 | -77.8 | -86.3 | 0 | 0 | 0 | 106.8 | P283 | P283-Y285 VanDerWaalsContact C-N 3.32Å; P283-Y285 HydrophobicContact CG-CE2 4.35Å; P283-Y285 WeakPolarHBondContact O-CD2 3.46Å; P283-Y285 PolarHBondContact O-N 3.05Å |
| 286 | S | 33.9 | Very low | 37.5 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -62.7 | 131.7 | 168.3 | -76.5 | 0 | 0 | 0 | 0 | 108 | Q284 A288 | Q284-S286 VanDerWaalsContact C-N 3.33Å; Q284-S286 PolarHBondContact O-N 2.77Å; S286-A288 PolarHBondContact O-N 3.11Å |
| 287 | P | 40.8 | Very low | 37.5 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | -65.6 | 103.2 | 179.9 | 25.3 | -30.3 | 0 | 0 | 0 | 108.2 | H289 | P287-H289 PolarHBondContact O-N 3.13Š|
| 288 | A | 37.8 | Very low | 37.7 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -61.7 | 113.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | S286 | S286-A288 PolarHBondContact O-N 3.11Š|
| 289 | H | 32.6 | Very low | 37.4 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | | | trans | -48.6 | 138.2 | 180 | -105 | -92.5 | 0 | 0 | 0 | 110.8 | P287 D291 | P287-H289 PolarHBondContact O-N 3.13Å; H289-D291 PolarHBondContact O-N 3.31Å |
| 290 | P | 40.8 | Very low | 37.2 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | -70.1 | 102.9 | 173 | 27.9 | -31.2 | 0 | 0 | 0 | 108.3 | S292 | P290-S292 PolarHBondContact O-N 3.44Š|
| 291 | D | 33.6 | Very low | 37 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -67.9 | 85 | 160.3 | -79.7 | -25 | 0 | 0 | 0 | 108 | H289 S293 | H289-D291 PolarHBondContact O-N 3.31Å; D291-S293 VanDerWaalsContact C-N 3.31Å; D291-S293 PolarHBondContact O-N 3.32Å |
| 292 | S | 29.7 | Very low | 36.9 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -69.3 | 88.4 | 165.1 | 53.9 | 0 | 0 | 0 | 0 | 108.4 | P290 | P290-S292 PolarHBondContact O-N 3.44Š|
| 293 | S | 33.5 | Very low | 36.7 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -168.5 | 146.5 | 148.1 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | D291 | D291-S293 VanDerWaalsContact C-N 3.31Å; D291-S293 PolarHBondContact O-N 3.32Å |
| 294 | L | 38.8 | Very low | 36.6 | Very low | 161 Ų | 161 | 148.1 Ų | 148.1 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | 90.7 | 75.6 | 172.8 | -45.8 | -177.1 | 0 | 0 | 0 | 115.9 | R296 | L294-R296 PolarHBondContact O-N 3.37Š|
| 295 | L | 33.9 | Very low | 36.6 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | | | | -0.3 | 109.9 | 126.4 | -71.3 | 162.4 | 0 | 0 | 0 | 114.6 | | |
| 296 | R | 33 | Very low | 36.9 | Very low | 241 Ų | 241 | 142.5 Ų | 142.5 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | -139.2 | 99.5 | 146 | -162.4 | 171.9 | -176.6 | -168.4 | 0 | 108.5 | L294 | L294-R296 PolarHBondContact O-N 3.37Š|
| 297 | E | 33.3 | Very low | 37.2 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | -42.5 | 149 | 159.4 | -87.7 | 176.9 | 131.7 | 0 | 0 | 111.8 | | |
| 298 | N | 36.4 | Very low | 37.1 | Very low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | 76.6 | 63.7 | 157.5 | -53.1 | -29.3 | 0 | 0 | 0 | 117.4 | | |
| 299 | S | 37.1 | Very low | 37 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -111 | 97.5 | 145.6 | 53.5 | 0 | 0 | 0 | 0 | 108.6 | M301 | S299-M301 PolarHBondContact O-N 2.97Š|
| 300 | Q | 35.3 | Very low | 37.5 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | | | trans | -40.5 | 116.4 | 175.1 | -161 | 147 | 10.9 | 0 | 0 | 110.9 | P302 | Q300-P302 WeakPolarHBondContact O-CD 3.23Š|
| 301 | M | 35.3 | Very low | 37.3 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | -59.6 | 126.3 | 169.7 | -86.4 | -165.5 | 159.7 | 0 | 0 | 108 | S299 D303 | S299-M301 PolarHBondContact O-N 2.97Å; M301-D303 PolarHBondContact O-N 2.77Å |
| 302 | P | 45.7 | Very low | 37.4 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | | | trans | -63.2 | 122.3 | 171.3 | 24.4 | -29.4 | 0 | 0 | 0 | 107.9 | Q300 I304 | Q300-P302 WeakPolarHBondContact O-CD 3.23Å; P302-I304 WeakPolarHBondContact O-CG1 3.19Å; P302-I304 PolarHBondContact O-N 3.23Å |
| 303 | D | 39.2 | Very low | 38 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | | | trans | -57.1 | 107.8 | 174.5 | -165.2 | -8.8 | 0 | 0 | 0 | 108.9 | M301 H305 | M301-D303 PolarHBondContact O-N 2.77Å; D303-H305 PolarHBondContact O-N 3.06Å; D303-H305 VanDerWaalsContact O-N 3.15Å; D303-H305 IonicContact OD1-CD2 2.81Å; D303-H305 PolarHBondContact OD1-CD2 3.23Å; D303-H305 IonicContact OD1-CG 3.62Å |
| 304 | I | 42.3 | Very low | 38.5 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | -80 | 12.2 | -173.4 | -37.5 | 177.1 | 0 | 0 | 0 | 110.7 | P302 S306 | P302-I304 WeakPolarHBondContact O-CG1 3.19Å; P302-I304 PolarHBondContact O-N 3.23Å; I304-S306 VanDerWaalsContact C-N 3.3Å; I304-S306 PolarHBondContact O-N 3.09Å; I304-S306 VanDerWaalsContact O-N 3.12Å |
| 305 | H | 40.7 | Very low | 38.6 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -86.6 | 62.7 | 173.9 | -62.7 | -53.4 | 0 | 0 | 0 | 112 | D303 | D303-H305 PolarHBondContact O-N 3.06Å; D303-H305 VanDerWaalsContact O-N 3.15Å; D303-H305 IonicContact OD1-CD2 2.81Å; D303-H305 PolarHBondContact OD1-CD2 3.23Å; D303-H305 IonicContact OD1-CG 3.62Å |
| 306 | S | 41.1 | Very low | 39.1 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | -151 | 48.5 | 165.6 | -78 | 0 | 0 | 0 | 0 | 111.8 | I304 S308 | I304-S306 VanDerWaalsContact C-N 3.3Å; I304-S306 PolarHBondContact O-N 3.09Å; I304-S306 VanDerWaalsContact O-N 3.12Å; S306-S308 VanDerWaalsContact C-N 3.27Å; S306-S308 PolarHBondContact O-N 3.27Å |
| 307 | V | 39.6 | Very low | 39.4 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -87.2 | 82.4 | 156 | -169.1 | 0 | 0 | 0 | 0 | 106.5 | N309 | V307-N309 PolarHBondContact O-N 2.69Š|
| 308 | S | 39.8 | Very low | 39.7 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -60 | 105.1 | 167.2 | -179.8 | 0 | 0 | 0 | 0 | 107.5 | S306 S310 | S306-S308 VanDerWaalsContact C-N 3.27Å; S306-S308 PolarHBondContact O-N 3.27Å; S308-S310 PolarHBondContact O-N 2.77Å |
| 309 | N | 36.5 | Very low | 40 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -77.4 | 73 | 177.1 | -146.8 | 0.9 | 0 | 0 | 0 | 107.7 | V307 N311 | V307-N309 PolarHBondContact O-N 2.69Å; N309-N311 PolarHBondContact O-N 2.96Å; N309-N311 PolarHBondContact OD1-ND2 2.83Å |
| 310 | S | 42.4 | Very low | 39.9 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | trans | -75.4 | 70.5 | 179.5 | 62.9 | 0 | 0 | 0 | 0 | 110.3 | S308 | S308-S310 PolarHBondContact O-N 2.77Š|
| 311 | N | 36.4 | Very low | 39.9 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -105.8 | 29.4 | 171 | -82.3 | -33.8 | 0 | 0 | 0 | 112 | N309 P313 | N309-N311 PolarHBondContact O-N 2.96Å; N309-N311 PolarHBondContact OD1-ND2 2.83Å; N311-P313 WeakPolarHBondContact O-CD 3.03Å |
| 312 | H | 36 | Very low | 40.2 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -85.2 | 114.9 | 164.2 | -78.6 | -69.4 | 0 | 0 | 0 | 109.3 | S314 | H312-S314 PolarHBondContact O-N 3.17Š|
| 313 | P | 41.6 | Very low | 39.9 | Very low | 104 Ų | 104 | 145 Ų | 145 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | trans | -65 | 109.9 | 178.4 | 25.9 | -31.7 | 0 | 0 | 0 | 108.9 | N311 K315 | N311-P313 WeakPolarHBondContact O-CD 3.03Å; P313-K315 PolarHBondContact O-N 2.73Å |
| 314 | S | 44.1 | Very low | 39.9 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | -71.6 | 53.4 | 177.3 | 54 | 0 | 0 | 0 | 0 | 112.3 | H312 | H312-S314 PolarHBondContact O-N 3.17Š|
| 315 | K | 41.5 | Very low | 39.6 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | -94.9 | -2.3 | 177.1 | -76.2 | -165.1 | 179.5 | -176 | 0 | 114.6 | P313 | P313-K315 PolarHBondContact O-N 2.73Š|
| 316 | Y | 43.9 | Very low | 39.4 | Very low | 221 Ų | 221 | 143.4 Ų | 143.4 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | | | trans | -116 | 71.7 | 173.1 | -55.5 | -75.5 | 0 | 0 | 0 | 109.9 | | |
| 317 | R | 38.5 | Very low | 39.2 | Very low | 223 Ų | 223 | 146.2 Ų | 146.2 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | | | trans | -115.5 | 56.6 | 159.2 | -158.8 | -175.3 | -167.5 | -160.3 | 4 | 108.1 | S319 | R317-S319 PolarHBondContact O-N 2.87Š|
| 318 | E | 39.8 | Very low | 39.4 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -79.2 | 100.3 | 157.9 | -88.6 | 177.2 | 171.3 | 0 | 0 | 106.5 | Y320 | E318-Y320 VanDerWaalsContact C-N 3.34Å; E318-Y320 PolarHBondContact O-N 2.94Å |
| 319 | S | 42.7 | Very low | 39.2 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | trans | -55.5 | 99.6 | 167.5 | -53.5 | 0 | 0 | 0 | 0 | 107.7 | R317 Q321 | R317-S319 PolarHBondContact O-N 2.87Å; S319-Q321 PolarHBondContact O-N 3.5Å |
| 320 | Y | 36.5 | Very low | 39 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | -60.2 | 109.2 | 163.5 | -77.5 | -80.9 | 0 | 0 | 0 | 107 | E318 V322 | E318-Y320 VanDerWaalsContact C-N 3.34Å; E318-Y320 PolarHBondContact O-N 2.94Å; Y320-V322 PolarHBondContact O-N 2.99Å |
| 321 | Q | 35.2 | Very low | 38.8 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -69.8 | 90 | 171.5 | -141.1 | 146.4 | 11.5 | 0 | 0 | 105.7 | S319 P323 | S319-Q321 PolarHBondContact O-N 3.5Å; Q321-P323 WeakPolarHBondContact O-CD 3.2Å |
| 322 | V | 40.7 | Very low | 38.8 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 70% | 0.703 | 79% | 0.786 | S | S | * | * | | | trans | -65.2 | 125 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | Y320 D324 | Y320-V322 PolarHBondContact O-N 2.99Å; V322-D324 PolarHBondContact O-N 3.42Å; V322-D324 VanDerWaalsContact O-N 3.13Å |
| 323 | P | 39.5 | Very low | 39 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | trans | -61.2 | 116.5 | 179.6 | -21 | 31.9 | 0 | 0 | 0 | 110.7 | Q321 G325 | Q321-P323 WeakPolarHBondContact O-CD 3.2Å; P323-G325 PolarHBondContact O-N 3.34Å |
| 324 | D | 39.1 | Very low | 38.9 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -56.7 | 105 | 166 | -68.6 | -48.2 | 0 | 0 | 0 | 108.6 | V322 | V322-D324 PolarHBondContact O-N 3.42Å; V322-D324 VanDerWaalsContact O-N 3.13Å |
| 325 | G | 36.1 | Very low | 38.5 | Very low | 64 Ų | 64 | 146.7 Ų | 146.7 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | | | trans | 178.6 | -7.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | P323 | P323-G325 PolarHBondContact O-N 3.34Š|
| 326 | L | 37.5 | Very low | 38.3 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | | | trans | -130.3 | 68.9 | 178.9 | -64.1 | 172.6 | 0 | 0 | 0 | 110.2 | P328 | L326-P328 WeakPolarHBondContact O-CD 3.35Š|
| 327 | M | 36 | Very low | 37.8 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | | | trans | -93.8 | 88.5 | 163.9 | -76.4 | -72 | -45.3 | 0 | 0 | 109.3 | S329 | M327-S329 PolarHBondContact O-N 2.77Š|
| 328 | P | 43.7 | Very low | 37.7 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -81.1 | 106.5 | 151.8 | 30.2 | -25.3 | 0 | 0 | 0 | 107.4 | L326 G330 | L326-P328 WeakPolarHBondContact O-CD 3.35Å; P328-G330 PolarHBondContact O-N 2.96Å |
| 329 | S | 35.4 | Very low | 37.7 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -51.2 | 97.8 | 165.6 | 52.8 | 0 | 0 | 0 | 0 | 111.1 | M327 | M327-S329 PolarHBondContact O-N 2.77Š|
| 330 | G | 31.5 | Very low | 37.6 | Very low | 60 Ų | 60 | 142 Ų | 142 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | | | trans | -107.7 | 140.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P328 | P328-G330 PolarHBondContact O-N 2.96Š|
| 331 | P | 39.8 | Very low | 37.6 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -71.2 | 136.7 | -154.7 | 29 | -34.2 | 0 | 0 | 0 | 112.4 | T333 | P331-T333 PolarHBondContact O-N 2.87Š|
| 332 | E | 35.6 | Very low | 37.9 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | -53.3 | 97.9 | 165.5 | -59.9 | -178 | 163.2 | 0 | 0 | 109.5 | | |
| 333 | T | 41.3 | Very low | 37.8 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | trans | -118.8 | 91.1 | 156.1 | 42.4 | 0 | 0 | 0 | 0 | 105.8 | P331 E335 | P331-T333 PolarHBondContact O-N 2.87Å; T333-E335 PolarHBondContact O-N 3.05Å |
| 334 | S | 38.3 | Very low | 37.5 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | -65 | 57.7 | 162.3 | 39.5 | 0 | 0 | 0 | 0 | 109.7 | Q336 | S334-Q336 PolarHBondContact O-N 3.41Å; S334-Q336 VanDerWaalsContact O-N 3.17Å |
| 335 | E | 36.5 | Very low | 37.4 | Very low | 162 Ų | 162 | 145.5 Ų | 145.5 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | | | trans | -78.8 | 99.9 | 165.1 | -74.5 | -74.2 | 144.5 | 0 | 0 | 106 | T333 Y337 | T333-E335 PolarHBondContact O-N 3.05Å; E335-Y337 PolarHBondContact O-N 3.28Å |
| 336 | Q | 36.1 | Very low | 37.7 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -42.3 | 101.7 | 170.7 | -168.2 | 169.6 | 3.1 | 0 | 0 | 108.9 | S334 Q338 | S334-Q336 PolarHBondContact O-N 3.41Å; S334-Q336 VanDerWaalsContact O-N 3.17Å; Q336-Q338 PolarHBondContact O-N 3.1Å |
| 337 | Y | 35.1 | Very low | 38 | Very low | 217 Ų | 217 | 146.1 Ų | 146.1 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -66.9 | 86.9 | -175.8 | -146.2 | -91.3 | 0 | 0 | 0 | 108.1 | E335 P339 | E335-Y337 PolarHBondContact O-N 3.28Å; Y337-P339 WeakPolarHBondContact O-CD 3.48Å |
| 338 | Q | 35.9 | Very low | 38.2 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -63.5 | 126.7 | 163.9 | -84 | -166.9 | -27.4 | 0 | 0 | 106.2 | Q336 S340 | Q336-Q338 PolarHBondContact O-N 3.1Å; Q338-S340 PolarHBondContact O-N 3.48Å |
| 339 | P | 39.7 | Very low | 37.9 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -64.1 | 87.9 | 168.4 | 25.8 | -29.7 | 0 | 0 | 0 | 107 | Y337 N341 | Y337-P339 WeakPolarHBondContact O-CD 3.48Å; P339-N341 PolarHBondContact O-N 2.83Å |
| 340 | S | 39.9 | Very low | 38.1 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | -56.9 | 135.7 | 165.4 | 52.4 | 0 | 0 | 0 | 0 | 106.9 | Q338 | Q338-S340 PolarHBondContact O-N 3.48Š|
| 341 | N | 36.9 | Very low | 38.5 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -33.4 | 139.8 | -168.7 | -90.5 | -36.6 | 0 | 0 | 0 | 114.5 | P339 F343 | P339-N341 PolarHBondContact O-N 2.83Å; N341-F343 PolarHBondContact O-N 2.91Å; N341-F343 VanDerWaalsContact O-N 3.08Å |
| 342 | P | 42.1 | Very low | 38.3 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -50.3 | 124.2 | 171.8 | 22.5 | -32.1 | 0 | 0 | 0 | 108.7 | R344 | P342-R344 PolarHBondContact O-N 3.07Š|
| 343 | F | 38.3 | Very low | 38.3 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 83% | 0.833 | 76% | 0.763 | S | S | * | * | | | trans | -13.8 | 99.4 | 168.5 | -82.7 | -99.5 | 0 | 0 | 0 | 112 | N341 F345 | N341-F343 PolarHBondContact O-N 2.91Å; N341-F343 VanDerWaalsContact O-N 3.08Å; F343-F345 HydrophobicContact CB-CD2 4.35Å; F343-F345 HydrophobicContact CB-CE2 4.45Å; F343-F345 PolarHBondContact O-N 3.23Å |
| 344 | R | 31.9 | Very low | 37.8 | Very low | 244 Ų | 244 | 149.4 Ų | 149.4 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | trans | -71.6 | 79.2 | 171 | -154.5 | -174.8 | -150.3 | -130.5 | 7.3 | 106.1 | P342 P346 | P342-R344 PolarHBondContact O-N 3.07Å; R344-P346 WeakPolarHBondContact O-CD 3.43Å |
| 345 | F | 37.7 | Very low | 37.7 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | | | trans | -54.8 | 125.1 | 163.5 | -91.2 | -85.1 | 0 | 0 | 0 | 106.3 | F343 L347 | F343-F345 HydrophobicContact CB-CD2 4.35Å; F343-F345 HydrophobicContact CB-CE2 4.45Å; F343-F345 PolarHBondContact O-N 3.23Å; F345-L347 PolarHBondContact O-N 2.81Å |
| 346 | P | 43.1 | Very low | 37.4 | Very low | 99 Ų | 99 | 147 Ų | 147 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | trans | -57.8 | 113 | 167 | -12.9 | 26.1 | 0 | 0 | 0 | 105.3 | R344 E348 | R344-P346 WeakPolarHBondContact O-CD 3.43Å; P346-E348 HydrophobicContact CB-CG 4.18Å; P346-E348 PolarHBondContact O-N 3.4Å |
| 347 | L | 42.5 | Very low | 37.1 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | trans | -62.9 | 85.4 | 154.2 | -95.5 | 97.6 | 0 | 0 | 0 | 104.7 | F345 Q349 | F345-L347 PolarHBondContact O-N 2.81Å; L347-Q349 HydrophobicContact CB-CG 4.41Å; L347-Q349 HydrophobicContact CD2-CG 4.42Å; L347-Q349 PolarHBondContact O-N 3.44Å |
| 348 | E | 40.6 | Very low | 36.9 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | -65.1 | 85.5 | 155.9 | -65.2 | -152.9 | 167.7 | 0 | 0 | 104.9 | P346 P350 | P346-E348 HydrophobicContact CB-CG 4.18Å; P346-E348 PolarHBondContact O-N 3.4Å; E348-P350 VanDerWaalsContact O-CD 3.24Å; E348-P350 WeakPolarHBondContact O-CD 3.49Å |
| 349 | Q | 38.3 | Very low | 36.5 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -61.2 | 118.9 | 166 | -70.5 | -164.3 | -24.9 | 0 | 0 | 105.4 | L347 S351 | L347-Q349 HydrophobicContact CB-CG 4.41Å; L347-Q349 HydrophobicContact CD2-CG 4.42Å; L347-Q349 PolarHBondContact O-N 3.44Å; Q349-S351 PolarHBondContact O-N 2.9Å |
| 350 | P | 39.8 | Very low | 35.8 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | | | trans | -57.3 | 110.8 | 175.7 | 20.2 | -29.4 | 0 | 0 | 0 | 107.5 | E348 W352 | E348-P350 VanDerWaalsContact O-CD 3.24Å; E348-P350 WeakPolarHBondContact O-CD 3.49Å; P350-W352 VanDerWaalsContact C-N 3.25Å; P350-W352 HydrophobicContact CB-CZ2 4.39Å; P350-W352 PolarHBondContact O-N 3.31Å |
| 351 | S | 38.7 | Very low | 35.4 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -69.1 | 89 | 173.3 | 48.6 | 0 | 0 | 0 | 0 | 107.2 | Q349 T353 | Q349-S351 PolarHBondContact O-N 2.9Å; S351-T353 PolarHBondContact O-N 2.95Å |
| 352 | W | 37.1 | Very low | 34.9 | Very low | 227 Ų | 227 | 135.3 Ų | 135.3 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | -73.8 | 70.1 | 167.4 | -56.9 | 96.6 | 0 | 0 | 0 | 108.1 | P350 A354 | P350-W352 VanDerWaalsContact C-N 3.25Å; P350-W352 HydrophobicContact CB-CZ2 4.39Å; P350-W352 PolarHBondContact O-N 3.31Å; W352-A354 VanDerWaalsContact C-N 3.31Å; W352-A354 PolarHBondContact O-N 3.46Å |
| 353 | T | 35.4 | Very low | 34.6 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | trans | -71.2 | 95.9 | 164.4 | 46.5 | 0 | 0 | 0 | 0 | 106.9 | S351 T355 | S351-T353 PolarHBondContact O-N 2.95Å; T353-T355 VanDerWaalsContact C-N 3.25Å; T353-T355 PolarHBondContact O-N 3.25Å; T353-T355 PolarHBondContact O-OG1 3.2Å; T353-T355 VanDerWaalsContact O-OG1 3.09Å |
| 354 | A | 30.2 | Very low | 34.4 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 88% | 0.884 | 76% | 0.762 | S | S | * | * | | | trans | -60 | 90.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | W352 | W352-A354 VanDerWaalsContact C-N 3.31Å; W352-A354 PolarHBondContact O-N 3.46Å |
| 355 | T | 35.7 | Very low | 34.3 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 61% | 0.607 | 76% | 0.756 | S | S | * | * | | | trans | -126.7 | 104.9 | -179.4 | -27.3 | 0 | 0 | 0 | 0 | 107.3 | T353 | T353-T355 VanDerWaalsContact C-N 3.25Å; T353-T355 PolarHBondContact O-N 3.25Å; T353-T355 PolarHBondContact O-OG1 3.2Å; T353-T355 VanDerWaalsContact O-OG1 3.09Å |
| 356 | D | 31.1 | Very low | 34.2 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | trans | 67.5 | 91 | 145.1 | -55.7 | -21.2 | 0 | 0 | 0 | 118.3 | A358 | D356-A358 PolarHBondContact O-N 3.05Š|
| 357 | L | 29.8 | Very low | 33.6 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 99% | 0.99 | 76% | 0.758 | S | S | * | * | | | | -10.4 | 87.7 | 121.9 | -74.2 | 143.2 | 0 | 0 | 0 | 114.1 | | |
| 358 | A | 31 | Very low | 33 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -152 | 112.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D356 | D356-A358 PolarHBondContact O-N 3.05Š|
| 359 | G | 27.1 | Very low | 32.6 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | 68.7 | 114.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 360 | G | 25 | Very low | 32 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | | 75.7 | 86.7 | 55.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 361 | N | 30.5 | Very low | 31.7 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | | | | 176.8 | 152 | 124.3 | -88.7 | -27.3 | 0 | 0 | 0 | 112 | | |
| 362 | A | 28.2 | Very low | 31.4 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -54 | 158.9 | -163.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 363 | P | 35.6 | Very low | 31.1 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -69.9 | 133.6 | 179.7 | 29.5 | -34.7 | 0 | 0 | 0 | 112.1 | | |
| 364 | S | 33.7 | Very low | 31 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -93.2 | 103.4 | 173.3 | -155.5 | 0 | 0 | 0 | 0 | 108.8 | D366 | S364-D366 PolarHBondContact O-N 3.15Š|
| 365 | D | 29.9 | Very low | 30.7 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -77.8 | 85.2 | 167.5 | -73.9 | -43.5 | 0 | 0 | 0 | 109.3 | | |
| 366 | D | 36.2 | Very low | 30.3 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -121.9 | 97.3 | 169.7 | -86.5 | -40.3 | 0 | 0 | 0 | 112.1 | S364 | S364-D366 PolarHBondContact O-N 3.15Š|
| 367 | N | 29.7 | Very low | 30.4 | Very low | 131 Ų | 131 | 143 Ų | 143 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -10.6 | 142 | 152.2 | -68 | -66.8 | 0 | 0 | 0 | 119.9 | | |
| 368 | N | 29.4 | Very low | 30.3 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 64.4 | 80.9 | 137.7 | -77.5 | -37.7 | 0 | 0 | 0 | 119.2 | | |
| 369 | Y | 32.2 | Very low | 30.3 | Very low | 240 Ų | 240 | 141 Ų | 141 | 94% | 0.941 | 78% | 0.78 | S | S | * | * | | | trans | -98.4 | 76.2 | 143 | -80.1 | -84.2 | 0 | 0 | 0 | 110.6 | | |
| 370 | R | 25.9 | Very low | 30.3 | Very low | 227 Ų | 227 | 144.7 Ų | 144.7 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | trans | -90 | 90.2 | 160.6 | -177 | -175.8 | -174.6 | -169.9 | 2.7 | 107.5 | | |
| 371 | S | 32.7 | Very low | 30.5 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -178.2 | 99 | 162.1 | -79.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 372 | Q | 34.1 | Very low | 30.2 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | -164.4 | 79.7 | 137.5 | -78.8 | -126.1 | 7.5 | 0 | 0 | 107.2 | F374 | Q372-F374 PolarHBondContact O-N 3.12Å; Q372-F374 VanDerWaalsContact O-N 3.14Å |
| 373 | T | 29.7 | Very low | 30.4 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -49 | 104.1 | 151.6 | 24.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 374 | F | 33.5 | Very low | 30.1 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | trans | -82.2 | 111.4 | 148.7 | -87 | -85.7 | 0 | 0 | 0 | 107.3 | Q372 | Q372-F374 PolarHBondContact O-N 3.12Å; Q372-F374 VanDerWaalsContact O-N 3.14Å |
| 375 | R | 24.6 | Very low | 30.2 | Very low | 212 Ų | 212 | 145.2 Ų | 145.2 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | trans | -109.4 | 146.9 | 179.9 | -144.8 | -178.6 | -170 | -147.2 | 2.5 | 105.4 | | |
| 376 | S | 25.9 | Very low | 30.4 | Very low | 93 Ų | 93 | 147 Ų | 147 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | 77 | 137.6 | 161 | -34.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 377 | E | 34 | Very low | 30.3 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | cis | -155 | 128.8 | 19.6 | -94.2 | 132.4 | -156.5 | 0 | 0 | 106.3 | | |
| 378 | A | 27.9 | Very low | 30.5 | Very low | 91 Ų | 91 | 150.6 Ų | 150.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | | 49 | 85 | 96.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 379 | N | 31.6 | Very low | 30.9 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -126.5 | 79.2 | 150 | -157.6 | -6.7 | 0 | 0 | 0 | 109 | Q381 | N379-Q381 PolarHBondContact O-N 3.27Š|
| 380 | D | 25.6 | Very low | 30.6 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | trans | -76 | 89.4 | 163.6 | -76.5 | -49.4 | 0 | 0 | 0 | 108.9 | | |
| 381 | Q | 29.2 | Very low | 31.1 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -147 | 97.5 | 156.8 | -74.4 | -161.1 | -11.6 | 0 | 0 | 110.7 | N379 | N379-Q381 PolarHBondContact O-N 3.27Š|
| 382 | A | 24.6 | Very low | 31.1 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | 32.8 | 156.5 | 133.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 383 | P | 32.7 | Very low | 31 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | cis | -126.6 | 170.7 | -29.1 | 33 | -14.6 | 0 | 0 | 0 | 112.3 | | |
| 384 | A | 30.2 | Very low | 31.5 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 57% | 0.57 | 76% | 0.76 | S | S | * | * | | | trans | -45.7 | 129.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | F386 | A384-F386 HydrophobicContact CB-CD2 4.41Å; A384-F386 HydrophobicContact CB-CE2 4.35Å; A384-F386 PolarHBondContact O-N 3.01Å |
| 385 | P | 35.5 | Very low | 31.7 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | | | trans | -71.9 | 95.1 | 166.3 | 28.7 | -29.5 | 0 | 0 | 0 | 108.5 | F387 | P385-F387 HydrophobicContact CB-CD2 4.09Å; P385-F387 PolarHBondContact O-N 3.49Å |
| 386 | F | 32.5 | Very low | 32.3 | Very low | 186 Ų | 186 | 132.2 Ų | 132.2 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | | | trans | -71.7 | 71.9 | 159.7 | -78.6 | -85.8 | 0 | 0 | 0 | 108.9 | A384 N388 | A384-F386 HydrophobicContact CB-CD2 4.41Å; A384-F386 HydrophobicContact CB-CE2 4.35Å; A384-F386 PolarHBondContact O-N 3.01Å; F386-N388 PolarHBondContact O-N 2.89Å |
| 387 | F | 35.9 | Very low | 32.7 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 77% | 0.772 | 76% | 0.758 | S | S | * | * | | | trans | -97 | 81.7 | 160.7 | -77 | -69.6 | 0 | 0 | 0 | 108.7 | P385 S389 | P385-F387 HydrophobicContact CB-CD2 4.09Å; P385-F387 PolarHBondContact O-N 3.49Å; F387-S389 PolarHBondContact O-N 3.46Å |
| 388 | N | 32.3 | Very low | 32.8 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | | | trans | -67.3 | 83 | 150.2 | -97.7 | -14.9 | 0 | 0 | 0 | 107.3 | F386 | F386-N388 PolarHBondContact O-N 2.89Š|
| 389 | S | 37.6 | Very low | 33.2 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | | | trans | -126.1 | 90.1 | 168 | 50.3 | 0 | 0 | 0 | 0 | 108.1 | F387 | F387-S389 PolarHBondContact O-N 3.46Š|
| 390 | N | 27.6 | Very low | 33.5 | Very low | 123 Ų | 123 | 132 Ų | 132 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | | | trans | 26.5 | 99.9 | 150.4 | -152.7 | 9.1 | 0 | 0 | 0 | 116.4 | T392 | N390-T392 PolarHBondContact O-N 3.45Š|
| 391 | P | 34.8 | Very low | 34.1 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -74.4 | 78.6 | 173 | 32.4 | -33.3 | 0 | 0 | 0 | 109.7 | | |
| 392 | T | 34.1 | Very low | 34.6 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | trans | -131.7 | 27.5 | 169.3 | 46.3 | 0 | 0 | 0 | 0 | 112 | N390 | N390-T392 PolarHBondContact O-N 3.45Š|
| 393 | S | 30.9 | Very low | 35.4 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | | | trans | -102.4 | 109.5 | 167 | 60.1 | 0 | 0 | 0 | 0 | 110 | E395 | S393-E395 PolarHBondContact O-N 3.16Š|
| 394 | E | 40.3 | Very low | 35.7 | Very low | 201 Ų | 201 | 130.1 Ų | 130.1 | 94% | 0.939 | 76% | 0.756 | S | S | * | * | | | trans | -70.3 | 32.2 | 167.3 | -64.2 | -176.1 | 151.1 | 0 | 0 | 112 | S396 | E394-S396 PolarHBondContact O-N 3.33Š|
| 395 | E | 39 | Very low | 36.1 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 41.8 | -165.8 | -154.9 | -179.6 | 179.7 | 0 | 0 | 112.8 | S393 | S393-E395 PolarHBondContact O-N 3.16Š|
| 396 | S | 35.6 | Very low | 36.5 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 5.9 | 179.7 | -45.9 | 0 | 0 | 0 | 0 | 114.9 | E394 | E394-S396 PolarHBondContact O-N 3.33Š|
| 397 | A | 35 | Very low | 36.7 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -96.5 | -8.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A399 | A397-A399 PolarHBondContact O-N 3.04Š|
| 398 | D | 35.8 | Very low | 36.6 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 16.2 | -170.8 | -81.1 | -21.2 | 0 | 0 | 0 | 115.8 | | |
| 399 | A | 36.7 | Very low | 36.9 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 1.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A397 S401 | A397-A399 PolarHBondContact O-N 3.04Å; A399-S401 VanDerWaalsContact C-N 3.35Å; A399-S401 PolarHBondContact O-N 2.84Å; A399-S401 VanDerWaalsContact O-N 3.1Å |
| 400 | L | 38.7 | Very low | 36.7 | Very low | 164 Ų | 164 | 137 Ų | 137 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -87.2 | 78.9 | 175.3 | -65.7 | 179.5 | 0 | 0 | 0 | 110.3 | P402 | L400-P402 WeakPolarHBondContact O-CD 3.16Š|
| 401 | S | 37.1 | Very low | 37.2 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | trans | -58.1 | 119.7 | 169.2 | -36 | 0 | 0 | 0 | 0 | 109.3 | A399 L403 | A399-S401 VanDerWaalsContact C-N 3.35Å; A399-S401 PolarHBondContact O-N 2.84Å; A399-S401 VanDerWaalsContact O-N 3.1Å; S401-L403 PolarHBondContact O-N 3.05Å; S401-L403 VanDerWaalsContact O-N 3.17Å |
| 402 | P | 38.8 | Very low | 37.1 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -65 | 119.4 | -179.7 | 22.1 | -29.7 | 0 | 0 | 0 | 110.2 | L400 T404 | L400-P402 WeakPolarHBondContact O-CD 3.16Å; P402-T404 VanDerWaalsContact C-N 3.32Å; P402-T404 PolarHBondContact O-N 2.88Å |
| 403 | L | 43.2 | Very low | 37.2 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | trans | -61.2 | 91.8 | 170.4 | -73.1 | 161.6 | 0 | 0 | 0 | 108.7 | S401 L405 | S401-L403 PolarHBondContact O-N 3.05Å; S401-L403 VanDerWaalsContact O-N 3.17Å; L403-L405 PolarHBondContact O-N 3.02Å |
| 404 | T | 39.2 | Very low | 37.3 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -74.9 | 107.3 | 176.5 | 38.7 | 0 | 0 | 0 | 0 | 109.3 | P402 Q406 | P402-T404 VanDerWaalsContact C-N 3.32Å; P402-T404 PolarHBondContact O-N 2.88Å; T404-Q406 PolarHBondContact O-N 2.81Å; T404-Q406 VanDerWaalsContact O-N 3.1Å |
| 405 | L | 38.5 | Very low | 37 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -71 | 99.8 | 172.7 | -66.6 | 171.7 | 0 | 0 | 0 | 109.2 | L403 V407 | L403-L405 PolarHBondContact O-N 3.02Å; L405-V407 PolarHBondContact O-N 3.04Å |
| 406 | Q | 42.6 | Very low | 36.7 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -73.2 | 103.1 | 172.8 | -72.4 | -176.4 | 10.5 | 0 | 0 | 110.2 | T404 R408 | T404-Q406 PolarHBondContact O-N 2.81Å; T404-Q406 VanDerWaalsContact O-N 3.1Å; Q406-R408 PolarHBondContact O-N 3.32Å |
| 407 | V | 36 | Very low | 36.7 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | | | trans | -81.4 | 105.2 | 170.7 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | L405 L409 | L405-V407 PolarHBondContact O-N 3.04Å; V407-L409 PolarHBondContact O-N 3.03Å; V407-L409 VanDerWaalsContact O-N 3.16Å |
| 408 | R | 34.6 | Very low | 36.6 | Very low | 235 Ų | 235 | 142.4 Ų | 142.4 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -71.1 | 104.1 | 170.5 | -87.8 | -179.2 | 176.9 | 178.3 | -1 | 109.4 | Q406 A410 | Q406-R408 PolarHBondContact O-N 3.32Å; R408-A410 PolarHBondContact O-N 3.13Å; R408-A410 VanDerWaalsContact O-N 3.11Å |
| 409 | L | 38.9 | Very low | 36.8 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | | | trans | -71.8 | 96.3 | 162 | -70 | 161.5 | 0 | 0 | 0 | 107.3 | V407 N411 | V407-L409 PolarHBondContact O-N 3.03Å; V407-L409 VanDerWaalsContact O-N 3.16Å; L409-N411 PolarHBondContact O-N 3.07Å; L409-N411 VanDerWaalsContact O-N 3.12Å |
| 410 | A | 34.3 | Very low | 36.7 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 109.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | R408 S412 | R408-A410 PolarHBondContact O-N 3.13Å; R408-A410 VanDerWaalsContact O-N 3.11Å; A410-S412 VanDerWaalsContact C-N 3.28Å; A410-S412 PolarHBondContact O-N 2.93Å |
| 411 | N | 37.5 | Very low | 36.5 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | | | trans | -63.8 | 94.5 | 163.4 | -79.6 | -25.7 | 0 | 0 | 0 | 107.2 | L409 T413 | L409-N411 PolarHBondContact O-N 3.07Å; L409-N411 VanDerWaalsContact O-N 3.12Å; N411-T413 PolarHBondContact O-N 2.92Å |
| 412 | S | 31.5 | Very low | 36.3 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -72.8 | 85.7 | 165.8 | 63.2 | 0 | 0 | 0 | 0 | 107.4 | A410 I414 | A410-S412 VanDerWaalsContact C-N 3.28Å; A410-S412 PolarHBondContact O-N 2.93Å; S412-I414 PolarHBondContact O-N 3.27Å; S412-I414 VanDerWaalsContact O-N 3.07Å |
| 413 | T | 37 | Very low | 36.1 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -55.3 | 110.4 | 157.6 | 35.7 | 0 | 0 | 0 | 0 | 107 | N411 E415 | N411-T413 PolarHBondContact O-N 2.92Å; T413-E415 PolarHBondContact O-N 2.95Å |
| 414 | I | 33.8 | Very low | 35.8 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | | | trans | -63.4 | 94 | 167.7 | -70.3 | 167.6 | 0 | 0 | 0 | 105.5 | S412 N416 | S412-I414 PolarHBondContact O-N 3.27Å; S412-I414 VanDerWaalsContact O-N 3.07Å; I414-N416 PolarHBondContact O-N 2.99Å |
| 415 | E | 33.5 | Very low | 35.7 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | trans | -63.6 | 122 | 166.6 | -76.9 | -175.8 | 157.3 | 0 | 0 | 107.6 | T413 L417 | T413-E415 PolarHBondContact O-N 2.95Å; E415-L417 VanDerWaalsContact C-N 3.33Å; E415-L417 PolarHBondContact O-N 3.42Å |
| 416 | N | 31.5 | Very low | 35.8 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -49.1 | 93.2 | 170.3 | -80.7 | -66.5 | 0 | 0 | 0 | 110.3 | I414 S418 | I414-N416 PolarHBondContact O-N 2.99Å; N416-S418 VanDerWaalsContact C-N 3.26Å; N416-S418 PolarHBondContact O-N 2.93Å |
| 417 | L | 36 | Very low | 35.6 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | | | trans | -71.8 | 93.4 | 163.6 | -75.4 | 169.5 | 0 | 0 | 0 | 107.4 | E415 P419 | E415-L417 VanDerWaalsContact C-N 3.33Å; E415-L417 PolarHBondContact O-N 3.42Å; L417-P419 VanDerWaalsContact O-CD 3.3Å; L417-P419 WeakPolarHBondContact O-CD 3.31Å |
| 418 | S | 33.1 | Very low | 35.6 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -42.3 | 110.9 | 171.1 | -163.8 | 0 | 0 | 0 | 0 | 111.5 | N416 A420 | N416-S418 VanDerWaalsContact C-N 3.26Å; N416-S418 PolarHBondContact O-N 2.93Å; S418-A420 PolarHBondContact O-N 3.02Å; S418-A420 VanDerWaalsContact O-N 3.09Å |
| 419 | P | 39.6 | Very low | 35.8 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -79 | 93.3 | 170.5 | 3.7 | 13.5 | 0 | 0 | 0 | 107.8 | L417 I421 | L417-P419 VanDerWaalsContact O-CD 3.3Å; L417-P419 WeakPolarHBondContact O-CD 3.31Å; P419-I421 PolarHBondContact O-N 2.92Å |
| 420 | A | 34.6 | Very low | 35.9 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | | | trans | -68.3 | 96.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | S418 | S418-A420 PolarHBondContact O-N 3.02Å; S418-A420 VanDerWaalsContact O-N 3.09Å |
| 421 | I | 35.9 | Very low | 36.1 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | -172.1 | 121.3 | 152.9 | -89.5 | 137.3 | 0 | 0 | 0 | 108.3 | P419 | P419-I421 PolarHBondContact O-N 2.92Š|
| 422 | G | 32.4 | Very low | 36.4 | Very low | 64 Ų | 64 | 137.1 Ų | 137.1 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | trans | 81.7 | 82.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | K424 | G422-K424 PolarHBondContact O-N 2.93Š|
| 423 | S | 34.1 | Very low | 36.8 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | | | trans | -36.5 | 101.5 | 153.4 | 54 | 0 | 0 | 0 | 0 | 112.9 | | |
| 424 | K | 37.6 | Very low | 36.9 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | | | trans | -123 | 94.6 | 152.8 | -87.4 | -179.6 | 175.7 | 174.8 | 0 | 106.5 | G422 F426 | G422-K424 PolarHBondContact O-N 2.93Å; K424-F426 HydrophobicContact CB-CD2 4.01Å; K424-F426 HydrophobicContact CB-CE2 3.9Å; K424-F426 HydrophobicContact CD-CE2 4.04Å; K424-F426 HydrophobicContact CG-CE2 4.42Å; K424-F426 PolarHBondContact O-N 2.89Å |
| 425 | S | 36.3 | Very low | 37.2 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | -52.3 | 105.4 | 159.8 | 156.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 426 | F | 40.5 | Very low | 37.7 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -114.9 | 91.2 | 156.8 | -78.3 | -76.2 | 0 | 0 | 0 | 104.3 | K424 N428 | K424-F426 HydrophobicContact CB-CD2 4.01Å; K424-F426 HydrophobicContact CB-CE2 3.9Å; K424-F426 HydrophobicContact CD-CE2 4.04Å; K424-F426 HydrophobicContact CG-CE2 4.42Å; K424-F426 PolarHBondContact O-N 2.89Å; F426-N428 PolarHBondContact O-N 2.83Å |
| 427 | D | 38.2 | Very low | 38.2 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -64.3 | 89.8 | 157.7 | -65.6 | -40.5 | 0 | 0 | 0 | 105.8 | | |
| 428 | N | 37.1 | Very low | 38.4 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -121.1 | 94.5 | 170.7 | -128.8 | 12 | 0 | 0 | 0 | 107.4 | F426 A430 | F426-N428 PolarHBondContact O-N 2.83Å; N428-A430 PolarHBondContact O-N 2.7Å |
| 429 | E | 38.6 | Very low | 38.8 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | | | trans | -63.6 | 40.9 | 177.9 | -149.3 | 167.3 | -152 | 0 | 0 | 112.3 | | |
| 430 | A | 40.6 | Very low | 39 | Very low | 61 Ų | 61 | 147.9 Ų | 147.9 | 50% | 0.504 | 77% | 0.768 | S | S | . | * | | | trans | -103.3 | 6.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | N428 E432 | N428-A430 PolarHBondContact O-N 2.7Å; A430-E432 VanDerWaalsContact C-N 3.31Å; A430-E432 PolarHBondContact O-N 2.99Å |
| 431 | D | 37.8 | Very low | 39.4 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 2 | -178.1 | -70.7 | -18.9 | 0 | 0 | 0 | 114 | | |
| 432 | E | 44 | Very low | 39.7 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -2.5 | -179.2 | -78.8 | -158.4 | 173.2 | 0 | 0 | 116.5 | A430 | A430-E432 VanDerWaalsContact C-N 3.31Å; A430-E432 PolarHBondContact O-N 2.99Å |
| 433 | E | 40.6 | Very low | 40.3 | Very low | 158 Ų | 158 | 151 Ų | 151 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -98.6 | -14 | -174.1 | -154.8 | 167.8 | -169.7 | 0 | 0 | 116 | | |
| 434 | F | 39.1 | Very low | 40.7 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -91.8 | -8 | -174.1 | -76.8 | -77.8 | 0 | 0 | 0 | 116.3 | K436 | F434-K436 PolarHBondContact O-N 3.16Š|
| 435 | E | 40.4 | Very low | 40.7 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -76.9 | -5.3 | 175.4 | -124.6 | 175.7 | -162 | 0 | 0 | 113.7 | | |
| 436 | K | 42.7 | Very low | 41.2 | Very low | 177 Ų | 177 | 150.4 Ų | 150.4 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -94.1 | -2.8 | -177 | -87.6 | 177.7 | -178.8 | 164.2 | 0 | 116.2 | F434 | F434-K436 PolarHBondContact O-N 3.16Š|
| 437 | K | 43.2 | Very low | 41.5 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -101.5 | -6.7 | -178.2 | -69.5 | -161 | 178 | 179.3 | 0 | 116.4 | | |
| 438 | E | 40.8 | Very low | 41.8 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -11 | 177.3 | -162.8 | 169.6 | -174.3 | 0 | 0 | 113.8 | | |
| 439 | K | 40.2 | Very low | 42.1 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -1.8 | -178 | -79.1 | -174.3 | 178.9 | -179.3 | 0 | 116.2 | | |
| 440 | V | 44 | Very low | 42.5 | Very low | 105 Ų | 105 | 152.7 Ų | 152.7 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -93.2 | -25 | -173.9 | 179.4 | 0 | 0 | 0 | 0 | 112.9 | S442 | V440-S442 PolarHBondContact O-N 3.17Š|
| 441 | D | 42.3 | Very low | 42.8 | Very low | 150 Ų | 150 | 158 Ų | 158 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -6.3 | -177.4 | -74 | -16.5 | 0 | 0 | 0 | 114.2 | | |
| 442 | S | 43.8 | Very low | 43 | Very low | 80 Ų | 80 | 159.8 Ų | 159.8 | 56% | 0.559 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -15.6 | 177.3 | -38.7 | 0 | 0 | 0 | 0 | 113.9 | V440 | V440-S442 PolarHBondContact O-N 3.17Š|
| 443 | E | 43.3 | Very low | 42.9 | Very low | 156 Ų | 156 | 158.7 Ų | 158.7 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -97 | -18.5 | -167.7 | -151.6 | 160.4 | -162.9 | 0 | 0 | 114.3 | | |
| 444 | E | 44 | Very low | 42.9 | Very low | 161 Ų | 161 | 158.4 Ų | 158.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -82.1 | -21.4 | 174 | -74.1 | -160.2 | 148.7 | 0 | 0 | 113.8 | F446 K447 | E444-F446 PolarHBondContact O-N 3.4Å; E444-K447 PolarHBondContact O-N 2.84Å |
| 445 | G | 37.5 | Very low | 43 | Very low | 60 Ų | 60 | 155.5 Ų | 155.5 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -21 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 446 | F | 46.7 | Very low | 42.9 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -9.6 | -177.2 | -74.5 | -78.8 | 0 | 0 | 0 | 115 | E444 | E444-F446 PolarHBondContact O-N 3.4Š|
| 447 | K | 45.5 | Very low | 42.7 | Very low | 169 Ų | 169 | 152.8 Ų | 152.8 | 74% | 0.735 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -23.9 | 179 | -81.5 | -179.5 | -179.2 | 170.7 | 0 | 113.9 | E444 K449 | E444-K447 PolarHBondContact O-N 2.84Å; K447-K449 VanDerWaalsContact C-N 3.35Å; K447-K449 PolarHBondContact O-N 3.08Å |
| 448 | L | 45.1 | Very low | 42.7 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -14.1 | -178.4 | -80.5 | 159.8 | 0 | 0 | 0 | 114.4 | | |
| 449 | K | 43.9 | Very low | 42.6 | Very low | 191 Ų | 191 | 151.5 Ų | 151.5 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -13.1 | -179.2 | -147.7 | 168.8 | -177.2 | 176.6 | 0 | 114.2 | K447 | K447-K449 VanDerWaalsContact C-N 3.35Å; K447-K449 PolarHBondContact O-N 3.08Å |
| 450 | K | 47.2 | Very low | 42.5 | Very low | 182 Ų | 182 | 151.6 Ų | 151.6 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -92.9 | -2.8 | -179.3 | -75.5 | -169.2 | 177.1 | -177.8 | 0 | 115.5 | | |
| 451 | M | 46.3 | Very low | 42.4 | Very low | 174 Ų | 174 | 155.3 Ų | 155.3 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -94.9 | 3.8 | -179.1 | -81.4 | -172.6 | 164.9 | 0 | 0 | 115.1 | | |
| 452 | K | 42.8 | Very low | 42 | Very low | 200 Ų | 200 | 154.1 Ų | 154.1 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -109.1 | 4.2 | -171.9 | -123.9 | 176.1 | -180 | 179.8 | 0 | 117.1 | | |
| 453 | E | 41.4 | Very low | 41.9 | Very low | 164 Ų | 164 | 159.7 Ų | 159.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -119.2 | -7 | -174.2 | -158.6 | 169.7 | -179.8 | 0 | 0 | 115.8 | T455 | E453-T455 PolarHBondContact O-N 3.16Š|
| 454 | N | 40 | Very low | 41.6 | Very low | 152 Ų | 152 | 155.7 Ų | 155.7 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | -93.9 | 28 | -173.1 | -68.2 | -2.6 | 0 | 0 | 0 | 115.2 | | |
| 455 | T | 40.6 | Very low | 41.3 | Very low | 116 Ų | 116 | 157.5 Ų | 157.5 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | | | trans | -113.8 | 51.9 | 176.9 | -30.1 | 0 | 0 | 0 | 0 | 111.6 | E453 | E453-T455 PolarHBondContact O-N 3.16Š|
| 456 | N | 39.4 | Very low | 41.1 | Very low | 148 Ų | 148 | 158.4 Ų | 158.4 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -118.4 | 91.2 | 158.3 | -76.1 | -61.9 | 0 | 0 | 0 | 107.3 | P458 | N456-P458 VanDerWaalsContact O-CD 3.23Å; N456-P458 WeakPolarHBondContact O-CD 3.17Å |
| 457 | L | 38.5 | Very low | 40.7 | Very low | 156 Ų | 156 | 159.5 Ų | 159.5 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 117.9 | 169.2 | -78.3 | 120.6 | 0 | 0 | 0 | 109.2 | K459 | L457-K459 PolarHBondContact O-N 2.99Š|
| 458 | P | 43.9 | Very low | 40.4 | Very low | 121 Ų | 121 | 160.7 Ų | 160.7 | 79% | 0.786 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 124 | 162.1 | 28.1 | -29.3 | 0 | 0 | 0 | 108.4 | N456 E460 | N456-P458 VanDerWaalsContact O-CD 3.23Å; N456-P458 WeakPolarHBondContact O-CD 3.17Å; P458-E460 PolarHBondContact O-N 3.49Å |
| 459 | K | 38.2 | Very low | 40.1 | Very low | 200 Ų | 200 | 161.1 Ų | 161.1 | 87% | 0.87 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 123.5 | 171.6 | -72.5 | 172.1 | 177 | 173.5 | 0 | 109.1 | L457 E461 | L457-K459 PolarHBondContact O-N 2.99Å; K459-E461 PolarHBondContact O-N 3.3Å |
| 460 | E | 38.4 | Very low | 39.9 | Very low | 179 Ų | 179 | 159.5 Ų | 159.5 | 84% | 0.836 | 85% | 0.845 | S | S | * | * | | | trans | -6.3 | 100.1 | 156.8 | -62.6 | 173.2 | 161.5 | 0 | 0 | 115.6 | P458 | P458-E460 PolarHBondContact O-N 3.49Š|
| 461 | E | 40.4 | Very low | 39.5 | Very low | 184 Ų | 184 | 158.2 Ų | 158.2 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | | | trans | -90.6 | 89.8 | 152.9 | -77.1 | -172.9 | 166.6 | 0 | 0 | 107.9 | K459 F463 | K459-E461 PolarHBondContact O-N 3.3Å; E461-F463 PolarHBondContact O-N 2.87Å |
| 462 | T | 35.6 | Very low | 39.1 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 76% | 0.761 | 85% | 0.847 | S | S | * | * | | | trans | -93.8 | 79.3 | 168.3 | -50 | 0 | 0 | 0 | 0 | 107.9 | | |
| 463 | F | 41.2 | Very low | 38.9 | Very low | 198 Ų | 198 | 154.6 Ų | 154.6 | 87% | 0.868 | 85% | 0.846 | S | S | * | * | | | trans | -106.4 | 110.2 | 166.7 | -86.4 | -78.9 | 0 | 0 | 0 | 110.1 | E461 M465 | E461-F463 PolarHBondContact O-N 2.87Å; F463-M465 PolarHBondContact O-N 2.81Å |
| 464 | G | 36.3 | Very low | 38.7 | Very low | 72 Ų | 72 | 154 Ų | 154 | 74% | 0.742 | 85% | 0.851 | S | S | * | * | | | trans | -5.7 | 109.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | A466 | G464-A466 PolarHBondContact O-N 3.33Š|
| 465 | M | 37.3 | Very low | 38.6 | Very low | 199 Ų | 199 | 154.1 Ų | 154.1 | 98% | 0.98 | 85% | 0.854 | S | S | * | * | | | trans | -64.2 | 103 | 159 | -145.8 | 136.8 | 110.9 | 0 | 0 | 108 | F463 | F463-M465 PolarHBondContact O-N 2.81Š|
| 466 | A | 34.5 | Very low | 38.5 | Very low | 78 Ų | 78 | 157.1 Ų | 157.1 | 65% | 0.645 | 87% | 0.865 | S | S | * | * | | | trans | -73.3 | 152.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.8 | G464 | G464-A466 PolarHBondContact O-N 3.33Š|
| 467 | M | 38.3 | Very low | 38.4 | Very low | 188 Ų | 188 | 157.8 Ų | 157.8 | 93% | 0.926 | 87% | 0.871 | S | S | * | * | | | trans | 82.2 | 89.9 | 163.2 | -44.6 | -64.6 | -109.7 | 0 | 0 | 116.6 | | |
| 468 | S | 38.2 | Very low | 38.4 | Very low | 195 Ų | 195 | 158 Ų | 158 | 100% | 1.364 | 88% | 0.876 | S | S | * | * | | | | -134.7 | 0 | 129.9 | -176.9 | 0 | 0 | 0 | 0 | 110 | | |