| 1 | M | 41.8 | Very low | 25.9 | Very low | 243 Ų | 243 | 146.7 Ų | 146.7 | 100% | 1.197 | 85% | 0.846 | S | S | * | * | | | | 0 | 122.1 | 0 | -75.6 | 167.3 | 162.4 | 0 | 0 | 108.6 | | |
| 2 | K | 23.9 | Very low | 25.9 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | | | trans | -154.8 | 134.1 | 156.9 | -101.4 | -172.9 | 177.3 | -177 | 0 | 105.6 | | |
| 3 | D | 24.6 | Very low | 25.8 | Very low | 163 Ų | 163 | 143 Ų | 143 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | | | trans | -75.3 | 136.7 | -161.9 | -52.5 | -82.1 | 0 | 0 | 0 | 112.5 | G5 | D3-G5 PolarHBondContact O-N 3.46Š|
| 4 | V | 27.4 | Very low | 25.6 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | | | trans | -87.1 | 104.6 | 170.1 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 5 | G | 24.2 | Very low | 25.8 | Very low | 51 Ų | 51 | 139.5 Ų | 139.5 | 53% | 0.526 | 83% | 0.827 | S | S | . | * | | | trans | -67.2 | 162 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D3 E7 | D3-G5 PolarHBondContact O-N 3.46Å; G5-E7 PolarHBondContact O-N 2.99Å |
| 6 | P | 24.1 | Very low | 25.6 | Very low | 133 Ų | 133 | 144 Ų | 144 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | | | trans | -63.5 | 125.7 | -178.5 | 27.1 | -34 | 0 | 0 | 0 | 110.6 | S8 | P6-S8 PolarHBondContact O-N 2.78Š|
| 7 | E | 24.5 | Very low | 25.8 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -62 | 110.6 | 171 | -67.2 | -171.3 | 152.7 | 0 | 0 | 109.1 | G5 C9 | G5-E7 PolarHBondContact O-N 2.99Å; E7-C9 PolarHBondContact O-N 3.05Å; E7-C9 VanDerWaalsContact O-N 3.14Å |
| 8 | S | 24.8 | Very low | 25.9 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -64.9 | 111.4 | 170.3 | 54.8 | 0 | 0 | 0 | 0 | 108.9 | P6 G10 | P6-S8 PolarHBondContact O-N 2.78Å; S8-G10 PolarHBondContact O-N 3.28Å |
| 9 | C | 23.4 | Very low | 26.1 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 125.5 | 168.6 | -62.7 | 0 | 0 | 0 | 0 | 109.6 | E7 | E7-C9 PolarHBondContact O-N 3.05Å; E7-C9 VanDerWaalsContact O-N 3.14Å |
| 10 | G | 24.1 | Very low | 26.4 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 138.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S8 | S8-G10 PolarHBondContact O-N 3.28Š|
| 11 | Q | 21.8 | Very low | 26.8 | Very low | 185 Ų | 185 | 126.3 Ų | 126.3 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 135.6 | 175.7 | -65.9 | 174.7 | -63.7 | 0 | 0 | 110.2 | T13 | Q11-T13 PolarHBondContact O-N 3.04Š|
| 12 | P | 26.6 | Very low | 26.5 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 121.5 | 172.7 | 27.1 | -32.9 | 0 | 0 | 0 | 109.7 | | |
| 13 | T | 24.2 | Very low | 26.9 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 76% | 0.761 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 125.4 | 172.7 | -38.2 | 0 | 0 | 0 | 0 | 108.8 | Q11 C15 | Q11-T13 PolarHBondContact O-N 3.04Å; T13-C15 PolarHBondContact O-N 2.85Å |
| 14 | P | 23.7 | Very low | 27.5 | Very low | 103 Ų | 103 | 109.2 Ų | 109.2 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 119.9 | -173.2 | 24.7 | -33.4 | 0 | 0 | 0 | 111.3 | W16 | P14-W16 PolarHBondContact O-N 3.27Š|
| 15 | C | 27.8 | Very low | 28 | Very low | 130 Ų | 130 | 104.4 Ų | 104.4 | 88% | 0.878 | 63% | 0.632 | S | S | * | * | | | trans | -70.6 | 70.7 | 173 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | T13 | T13-C15 PolarHBondContact O-N 2.85Š|
| 16 | W | 22.3 | Very low | 28.5 | Very low | 212 Ų | 212 | 103.8 Ų | 103.8 | 80% | 0.803 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 148.5 | 162.7 | -91.3 | 59.3 | 0 | 0 | 0 | 110.1 | P14 S18 | P14-W16 PolarHBondContact O-N 3.27Å; W16-S18 PolarHBondContact O-N 2.98Å |
| 17 | P | 29.1 | Very low | 29.1 | Very low | 68 Ų | 68 | 103.9 Ų | 103.9 | 44% | 0.442 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 132.4 | -175.5 | 25.8 | -34.2 | 0 | 0 | 0 | 110.3 | L21 | P17-L21 HydrophobicContact CB-CB 4.28Å; P17-L21 HydrophobicContact CB-CD2 3.69Å |
| 18 | S | 28.9 | Very low | 29.7 | Very low | 72 Ų | 72 | 95.9 Ų | 95.9 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 141.5 | 171.1 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | W16 A20 L21 | W16-S18 PolarHBondContact O-N 2.98Å; S18-A20 PolarHBondContact O-N 3.24Å; S18-L21 VanDerWaalsContact O-CB 3.23Å; S18-L21 WeakPolarHBondContact O-CB 3.36Å; S18-L21 PolarHBondContact O-N 3.38Å |
| 19 | P | 28.6 | Very low | 30.1 | Very low | 105 Ų | 105 | 91.9 Ų | 91.9 | 68% | 0.682 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -57.1 | -19.7 | 178.5 | 19.8 | -32 | 0 | 0 | 0 | 113.9 | L21 | P19-L21 VanDerWaalsContact C-N 3.27Å; P19-L21 PolarHBondContact O-N 3.39Å |
| 20 | A | 32.4 | Very low | 30.7 | Very low | 40 Ų | 40 | 93.4 Ų | 93.4 | 33% | 0.331 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -34.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S18 S23 | S18-A20 PolarHBondContact O-N 3.24Å; A20-S23 PolarHBondContact O-N 3.2Å; A20-S23 PolarHBondContact O-OG 3.14Å |
| 21 | L | 34.4 | Very low | 31.2 | Very low | 64 Ų | 64 | 98.7 Ų | 98.7 | 34% | 0.335 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.6 | -33 | -176.2 | -157.2 | 77.2 | 0 | 0 | 0 | 112.3 | P17 S18 P19 S23 V24 L25 L42 | P17-L21 HydrophobicContact CB-CB 4.28Å; P17-L21 HydrophobicContact CB-CD2 3.69Å; S18-L21 VanDerWaalsContact O-CB 3.23Å; S18-L21 WeakPolarHBondContact O-CB 3.36Å; S18-L21 PolarHBondContact O-N 3.38Å; P19-L21 VanDerWaalsContact C-N 3.27Å; P19-L21 PolarHBondContact O-N 3.39Å; L21-S23 VanDerWaalsContact C-N 3.28Å; L21-S23 PolarHBondContact O-N 3.33Å; L21-V24 PolarHBondContact O-N 3.24Å; L21-V24 VanDerWaalsContact O-N 3.12Å; L21-L25 HydrophobicContact CD2-CD1 4.25Å; L21-L25 HydrophobicContact CG-CD1 4.21Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 2.78Å; L21-L42 HydrophobicContact CD2-CD1 3.89Å |
| 22 | E | 34.8 | Very low | 31.7 | Very low | 133 Ų | 133 | 93 Ų | 93 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.3 | -39.3 | 176.6 | -63.9 | -170.9 | 148.5 | 0 | 0 | 111.5 | V24 L25 G26 | E22-V24 VanDerWaalsContact C-N 3.31Å; E22-V24 PolarHBondContact O-N 3.12Å; E22-L25 PolarHBondContact O-N 3.38Å; E22-G26 PolarHBondContact O-N 3.46Å |
| 23 | S | 34 | Very low | 31.9 | Very low | 63 Ų | 63 | 90.2 Ų | 90.2 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -31.7 | 176.9 | 84.9 | 0 | 0 | 0 | 0 | 113 | A20 L21 K27 | A20-S23 PolarHBondContact O-N 3.2Å; A20-S23 PolarHBondContact O-OG 3.14Å; L21-S23 VanDerWaalsContact C-N 3.28Å; L21-S23 PolarHBondContact O-N 3.33Å; S23-K27 WeakPolarHBondContact O-CB 3.23Å; S23-K27 WeakPolarHBondContact O-CD 3.49Å; S23-K27 VanDerWaalsContact O-CG 3.28Å; S23-K27 WeakPolarHBondContact O-CG 3.3Å; S23-K27 PolarHBondContact O-N 2.9Å |
| 24 | V | 36.3 | Very low | 32.5 | Very low | 52 Ų | 52 | 86.1 Ų | 86.1 | 32% | 0.315 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.1 | -43.9 | 177.2 | 178 | 0 | 0 | 0 | 0 | 110.1 | L21 E22 K27 A28 L85 | L21-V24 PolarHBondContact O-N 3.24Å; L21-V24 VanDerWaalsContact O-N 3.12Å; E22-V24 VanDerWaalsContact C-N 3.31Å; E22-V24 PolarHBondContact O-N 3.12Å; V24-K27 PolarHBondContact O-N 2.81Å; V24-A28 WeakPolarHBondContact O-CB 3.06Å; V24-A28 PolarHBondContact O-N 3.18Å; V24-L85 HydrophobicContact CG1-CD1 4.32Å |
| 25 | L | 38.7 | Very low | 33 | Very low | 37 Ų | 37 | 86.8 Ų | 86.8 | 19% | 0.194 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 175.7 | -70.8 | 167.4 | 0 | 0 | 0 | 111.8 | L21 E22 A28 S29 L40 L42 L119 | L21-L25 HydrophobicContact CD2-CD1 4.25Å; L21-L25 HydrophobicContact CG-CD1 4.21Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 2.78Å; E22-L25 PolarHBondContact O-N 3.38Å; L25-A28 PolarHBondContact O-N 2.86Å; L25-S29 VanDerWaalsContact O-CB 3.32Å; L25-S29 WeakPolarHBondContact O-CB 3.28Å; L25-S29 PolarHBondContact O-N 2.94Å; L25-L40 HydrophobicContact CB-CD1 4.42Å; L25-L40 HydrophobicContact CD2-CD1 4.47Å; L25-L42 HydrophobicContact CD2-CD1 4.28Å; L25-L119 HydrophobicContact CD2-CD1 4.43Å |
| 26 | G | 34.6 | Very low | 33.3 | Very low | 38 Ų | 38 | 86.9 Ų | 86.9 | 39% | 0.392 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E22 S29 Q30 | E22-G26 PolarHBondContact O-N 3.46Å; G26-S29 WeakPolarHBondContact O-CB 3.38Å; G26-S29 PolarHBondContact O-N 3.42Å; G26-Q30 PolarHBondContact O-N 3.2Å; G26-Q30 VanDerWaalsContact O-N 3.14Å |
| 27 | K | 36.2 | Very low | 33.8 | Very low | 136 Ų | 136 | 80.6 Ų | 80.6 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68 | -41.1 | 175.9 | -73.8 | 170.2 | -176.9 | 171 | 0 | 112.4 | S23 V24 S29 Q30 H31 | S23-K27 WeakPolarHBondContact O-CB 3.23Å; S23-K27 WeakPolarHBondContact O-CD 3.49Å; S23-K27 VanDerWaalsContact O-CG 3.28Å; S23-K27 WeakPolarHBondContact O-CG 3.3Å; S23-K27 PolarHBondContact O-N 2.9Å; V24-K27 PolarHBondContact O-N 2.81Å; K27-S29 VanDerWaalsContact C-N 3.33Å; K27-Q30 PolarHBondContact O-N 3.34Å; K27-H31 PolarHBondContact O-N 2.82Å |
| 28 | A | 37.7 | Very low | 33.9 | Very low | 18 Ų | 18 | 79.6 Ų | 79.6 | 15% | 0.149 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V24 L25 Q30 H31 L32 L121 | V24-A28 WeakPolarHBondContact O-CB 3.06Å; V24-A28 PolarHBondContact O-N 3.18Å; L25-A28 PolarHBondContact O-N 2.86Å; A28-Q30 PolarHBondContact O-N 2.89Å; A28-H31 PolarHBondContact O-N 3.11Å; A28-L32 WeakPolarHBondContact O-CB 3.35Å; A28-L32 WeakPolarHBondContact O-CG 3.32Å; A28-L32 PolarHBondContact O-N 2.99Å; A28-L121 HydrophobicContact CB-CD1 3.86Å |
| 29 | S | 33.5 | Very low | 34 | Very low | 28 Ų | 28 | 79.2 Ų | 79.2 | 20% | 0.196 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -58 | -47 | 175.2 | -167.4 | 0 | 0 | 0 | 0 | 112.4 | L25 G26 K27 L32 G33 L34 | L25-S29 VanDerWaalsContact O-CB 3.32Å; L25-S29 WeakPolarHBondContact O-CB 3.28Å; L25-S29 PolarHBondContact O-N 2.94Å; G26-S29 WeakPolarHBondContact O-CB 3.38Å; G26-S29 PolarHBondContact O-N 3.42Å; K27-S29 VanDerWaalsContact C-N 3.33Å; S29-L32 PolarHBondContact O-N 3.37Å; S29-G33 PolarHBondContact O-N 2.88Å; S29-L34 PolarHBondContact O-N 3.3Å |
| 30 | Q | 34.7 | Very low | 34.2 | Very low | 161 Ų | 161 | 77 Ų | 77 | 75% | 0.752 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66 | -38.6 | 176.3 | -73.8 | -178.3 | -20.9 | 0 | 0 | 113.3 | G26 K27 A28 L32 G33 | G26-Q30 PolarHBondContact O-N 3.2Å; G26-Q30 VanDerWaalsContact O-N 3.14Å; K27-Q30 PolarHBondContact O-N 3.34Å; A28-Q30 PolarHBondContact O-N 2.89Å; Q30-L32 VanDerWaalsContact C-N 3.35Å; Q30-G33 PolarHBondContact O-N 3.37Å |
| 31 | H | 34.1 | Very low | 34.3 | Very low | 182 Ų | 182 | 80.7 Ų | 80.7 | 84% | 0.843 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -70 | -29.6 | 177.4 | -106.8 | 7.3 | 0 | 0 | 0 | 113.6 | K27 A28 G33 | K27-H31 PolarHBondContact O-N 2.82Å; A28-H31 PolarHBondContact O-N 3.11Å; H31-G33 VanDerWaalsContact C-N 3.33Å |
| 32 | L | 33.3 | Very low | 34.1 | Very low | 67 Ų | 67 | 81 Ų | 81 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 4.5 | 176.7 | -67 | 171.9 | 0 | 0 | 0 | 113.3 | A28 S29 Q30 L34 L121 | A28-L32 WeakPolarHBondContact O-CB 3.35Å; A28-L32 WeakPolarHBondContact O-CG 3.32Å; A28-L32 PolarHBondContact O-N 2.99Å; S29-L32 PolarHBondContact O-N 3.37Å; Q30-L32 VanDerWaalsContact C-N 3.35Å; L32-L34 HydrophobicContact CB-CD1 4.05Å; L32-L34 HydrophobicContact CB-CG 3.85Å; L32-L34 HydrophobicContact CD1-CD1 4.33Å; L32-L34 PolarHBondContact O-N 3.43Å; L32-L121 HydrophobicContact CD1-CB 3.94Å; L32-L121 HydrophobicContact CD1-CD1 3.48Å; L32-L121 VanDerWaalsContact CD1-CD1 3.48Å; L32-L121 HydrophobicContact CD1-CG 4.34Å |
| 33 | G | 29.8 | Very low | 34.1 | Very low | 62 Ų | 62 | 77.2 Ų | 77.2 | 64% | 0.639 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 25 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S29 Q30 H31 | S29-G33 PolarHBondContact O-N 2.88Å; Q30-G33 PolarHBondContact O-N 3.37Å; H31-G33 VanDerWaalsContact C-N 3.33Å |
| 34 | L | 37.2 | Very low | 34 | Very low | 37 Ų | 37 | 78 Ų | 78 | 19% | 0.194 | 44% | 0.444 | C | S | . | . | | | trans | -74.3 | 132.8 | -175 | -62.3 | 173.8 | 0 | 0 | 0 | 110.6 | S29 L32 Q38 L40 | S29-L34 PolarHBondContact O-N 3.3Å; L32-L34 HydrophobicContact CB-CD1 4.05Å; L32-L34 HydrophobicContact CB-CG 3.85Å; L32-L34 HydrophobicContact CD1-CD1 4.33Å; L32-L34 PolarHBondContact O-N 3.43Å; L34-Q38 VanDerWaalsContact CD2-OE1 3.28Å; L34-L40 HydrophobicContact CD1-CD2 3.56Å |
| 35 | E | 34.5 | Very low | 33.8 | Very low | 118 Ų | 118 | 76 Ų | 76 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | | | trans | -71.2 | 143.5 | -179.6 | -70 | 168.7 | 150.7 | 0 | 0 | 110.1 | G37 Q38 K125 | E35-G37 PolarHBondContact O-N 2.87Å; E35-Q38 HydrophobicContact CB-CG 4.47Å; E35-Q38 PolarHBondContact O-N 3.42Å; E35-Q38 VanDerWaalsContact O-N 3.1Å; E35-K125 IonicContact OE1-NZ 2.63Å; E35-K125 IonicContact OE2-NZ 3.85Å; E35-K125 PolarHBondContact OE2-NZ 2.89Å |
| 36 | S | 34.8 | Very low | 33.4 | Very low | 132 Ų | 132 | 76.7 Ų | 76.7 | 92% | 0.923 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 113.1 | -176.8 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 37 | G | 31.8 | Very low | 33.3 | Very low | 79 Ų | 79 | 80.6 Ų | 80.6 | 81% | 0.814 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.3 | -4.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E35 | E35-G37 PolarHBondContact O-N 2.87Š|
| 38 | Q | 32.5 | Very low | 32.8 | Very low | 47 Ų | 47 | 76.8 Ų | 76.8 | 22% | 0.22 | 44% | 0.438 | C | S | . | . | | | trans | -70 | 131.9 | 170.6 | -68.1 | -172.6 | -60.3 | 0 | 0 | 111.1 | L34 E35 L40 | L34-Q38 VanDerWaalsContact CD2-OE1 3.28Å; E35-Q38 HydrophobicContact CB-CG 4.47Å; E35-Q38 PolarHBondContact O-N 3.42Å; E35-Q38 VanDerWaalsContact O-N 3.1Å; Q38-L40 PolarHBondContact O-N 3.14Å |
| 39 | P | 30.7 | Very low | 32.3 | Very low | 65 Ų | 65 | 77.7 Ų | 77.7 | 42% | 0.422 | 45% | 0.449 | S | S | . | . | | | trans | -73.1 | 116.7 | -178.8 | 28.3 | -33.7 | 0 | 0 | 0 | 111.3 | Y41 A124 | P39-Y41 HydrophobicContact CB-CE2 3.97Å; P39-Y41 HydrophobicContact CG-CE2 3.9Å; P39-A124 HydrophobicContact CG-CB 4.35Å |
| 40 | L | 31.9 | Very low | 32 | Very low | 58 Ų | 58 | 83.4 Ų | 83.4 | 30% | 0.304 | 48% | 0.483 | S | S | . | . | | | trans | -82.6 | 111.4 | 169.9 | -70 | 161.8 | 0 | 0 | 0 | 109 | L25 L34 Q38 L121 | L25-L40 HydrophobicContact CB-CD1 4.42Å; L25-L40 HydrophobicContact CD2-CD1 4.47Å; L34-L40 HydrophobicContact CD1-CD2 3.56Å; Q38-L40 PolarHBondContact O-N 3.14Å; L40-L121 HydrophobicContact CD2-CD1 4.14Å; L40-L121 HydrophobicContact CD2-CD2 3.78Å; L40-L121 HydrophobicContact CD2-CG 4.37Å |
| 41 | Y | 33.8 | Very low | 31.5 | Very low | 117 Ų | 117 | 83.4 Ų | 83.4 | 46% | 0.459 | 48% | 0.483 | S | S | . | . | | | trans | -84.4 | 124.9 | 173.7 | -66.5 | -82.1 | 0 | 0 | 0 | 110 | P39 | P39-Y41 HydrophobicContact CB-CE2 3.97Å; P39-Y41 HydrophobicContact CG-CE2 3.9Å |
| 42 | L | 32.1 | Very low | 31.1 | Very low | 71 Ų | 71 | 79.6 Ų | 79.6 | 37% | 0.372 | 48% | 0.476 | S | S | . | . | | | trans | -99.6 | 104.2 | 174.8 | -164.3 | 127.4 | 0 | 0 | 0 | 108.6 | L21 L25 L119 | L21-L42 HydrophobicContact CD2-CD1 3.89Å; L25-L42 HydrophobicContact CD2-CD1 4.28Å; L42-L119 HydrophobicContact CB-CD1 4.48Å; L42-L119 HydrophobicContact CD1-CD1 3.46Å; L42-L119 VanDerWaalsContact CD1-CD1 3.46Å; L42-L119 HydrophobicContact CG-CD1 3.77Å |
| 43 | L | 33.5 | Very low | 30.8 | Very low | 54 Ų | 54 | 80 Ų | 80 | 28% | 0.283 | 49% | 0.489 | S | S | . | . | | | trans | -82.9 | 113.8 | 170.8 | -109.6 | 84.4 | 0 | 0 | 0 | 110.1 | L45 V120 | L43-L45 HydrophobicContact CD2-CD2 4.15Å; L43-L45 PolarHBondContact O-N 3.44Å; L43-V120 HydrophobicContact CB-CB 4.39Å; L43-V120 HydrophobicContact CB-CG2 4.32Å |
| 44 | E | 32.1 | Very low | 30.5 | Very low | 78 Ų | 78 | 84.8 Ų | 84.8 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | | | trans | -83.8 | 106.4 | 165.6 | 179.1 | 168.3 | 169.1 | 0 | 0 | 108.9 | W117 | E44-W117 HydrophobicContact CB-CZ3 4.31Å; E44-W117 HydrophobicContact CG-CE3 4.05Å; E44-W117 HydrophobicContact CG-CH2 4.04Å; E44-W117 HydrophobicContact CG-CZ3 3.46Å; E44-W117 VanDerWaalsContact CG-CZ3 3.46Å; E44-W117 VanDerWaalsContact OE1-CH2 3.26Å; E44-W117 WeakPolarHBondContact OE1-CH2 3.13Å |
| 45 | L | 31.7 | Very low | 30.1 | Very low | 11 Ų | 11 | 85.5 Ų | 85.5 | 6% | 0.058 | 51% | 0.507 | C | S | . | . | | | trans | -99.5 | 105.5 | 172.7 | -69.6 | -173.2 | 0 | 0 | 0 | 110 | L43 W47 C63 C116 M118 | L43-L45 HydrophobicContact CD2-CD2 4.15Å; L43-L45 PolarHBondContact O-N 3.44Å; L45-W47 PolarHBondContact O-N 3.1Å; L45-C63 VanDerWaalsContact CD2-O 3.29Å; L45-C63 WeakPolarHBondContact CD2-O 3.26Å; L45-C116 VanDerWaalsContact O-O 3.08Å; L45-M118 HydrophobicContact CD1-CB 4.04Å; L45-M118 HydrophobicContact CD1-CE 3.35Å |
| 46 | N | 31.7 | Very low | 29.5 | Very low | 52 Ų | 52 | 86 Ų | 86 | 28% | 0.278 | 52% | 0.524 | S | S | . | . | | | trans | -90.5 | 90.2 | -175.4 | -150.7 | 9.7 | 0 | 0 | 0 | 110.6 | G48 F64 W115 | N46-G48 VanDerWaalsContact C-N 3.32Å; N46-G48 PolarHBondContact O-N 3.37Å; N46-F64 HydrophobicContact CB-CD1 4.28Å; N46-F64 HydrophobicContact CB-CE1 3.61Å; N46-F64 HydrophobicContact CB-CZ 4.09Å; N46-W115 WeakPolarHBondContact OD1-CZ3 3.29Å |
| 47 | W | 32.6 | Very low | 29.1 | Very low | 120 Ų | 120 | 83.6 Ų | 83.6 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 80.7 | 177.2 | -86.5 | 20 | 0 | 0 | 0 | 111.9 | L45 L70 W115 C116 | L45-W47 PolarHBondContact O-N 3.1Å; W47-L70 HydrophobicContact CZ2-CD1 4Å; W47-W115 VanDerWaalsContact O-CE3 3.29Å; W47-C116 HydrophobicContact CD2-CB 4.25Å; W47-C116 HydrophobicContact CE3-CB 4.01Å; W47-C116 HydrophobicContact CZ3-CB 4.44Å |
| 48 | G | 25.3 | Very low | 28.8 | Very low | 55 Ų | 55 | 83.3 Ų | 83.3 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 164.7 | -5.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | N46 | N46-G48 VanDerWaalsContact C-N 3.32Å; N46-G48 PolarHBondContact O-N 3.37Å |
| 49 | G | 27.3 | Very low | 28.5 | Very low | 38 Ų | 38 | 91.9 Ų | 91.9 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | | | trans | -126 | 144.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F64 | G49-F64 WeakPolarHBondContact O-CD1 3.47Š|
| 50 | T | 26.5 | Very low | 28.3 | Very low | 147 Ų | 147 | 92.7 Ų | 92.7 | 90% | 0.902 | 54% | 0.535 | S | S | * | . | | | trans | -96.5 | 13.1 | 177.8 | 41.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 51 | E | 24.4 | Very low | 28 | Very low | 161 Ų | 161 | 92.2 Ų | 92.2 | 75% | 0.752 | 54% | 0.539 | S | S | * | . | | | trans | -119.5 | 122.2 | -171.9 | -63.9 | -169.8 | 163.9 | 0 | 0 | 112.1 | F64 | E51-F64 WeakPolarHBondContact O-CE1 3.4Å; E51-F64 WeakPolarHBondContact O-CE2 3.43Å; E51-F64 WeakPolarHBondContact O-CZ 3.45Å |
| 52 | C | 26.5 | Very low | 27.8 | Very low | 102 Ų | 102 | 88.2 Ų | 88.2 | 69% | 0.689 | 53% | 0.53 | S | S | * | . | | | trans | -83.2 | 114.5 | 179.8 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | F64 | C52-F64 HydrophobicContact CB-CD2 4.38Š|
| 53 | A | 25.8 | Very low | 27.6 | Very low | 77 Ų | 77 | 87.4 Ų | 87.4 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -92.5 | 116.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 54 | L | 23.9 | Very low | 27.3 | Very low | 161 Ų | 161 | 87.3 Ų | 87.3 | 84% | 0.843 | 53% | 0.527 | S | S | * | . | B | Isolated β-bridge | trans | -85.5 | 118.7 | 168.9 | -90.2 | 160.6 | 0 | 0 | 0 | 109.9 | S56 | L54-S56 PolarHBondContact O-N 3.37Å |
| 55 | S | 28 | Very low | 27 | Very low | 53 Ų | 53 | 86.8 Ų | 86.8 | 37% | 0.371 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 125.5 | 170.8 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | T57 G58 | S55-T57 PolarHBondContact O-N 3.22Å; S55-T57 PolarHBondContact OG-OG1 2.97Å; S55-T57 VanDerWaalsContact OG-OG1 3.1Å; S55-G58 PolarHBondContact O-N 3.42Å |
| 56 | S | 23.4 | Very low | 26.7 | Very low | 128 Ų | 128 | 89.6 Ų | 89.6 | 90% | 0.895 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -3.8 | -176.6 | 56.3 | 0 | 0 | 0 | 0 | 114.9 | L54 | L54-S56 PolarHBondContact O-N 3.37Š|
| 57 | T | 26.9 | Very low | 26.6 | Very low | 81 Ų | 81 | 93.3 Ų | 93.3 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.1 | -5.8 | 179.7 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | S55 R59 | S55-T57 PolarHBondContact O-N 3.22Å; S55-T57 PolarHBondContact OG-OG1 2.97Å; S55-T57 VanDerWaalsContact OG-OG1 3.1Å; T57-R59 PolarHBondContact O-N 3.29Å; T57-R59 VanDerWaalsContact O-N 3.07Å |
| 58 | G | 24.5 | Very low | 26.4 | Very low | 73 Ų | 73 | 93 Ų | 93 | 75% | 0.753 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 64.8 | 11.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | S55 | S55-G58 PolarHBondContact O-N 3.42Š|
| 59 | R | 25.6 | Very low | 26.6 | Very low | 228 Ų | 228 | 95.3 Ų | 95.3 | 86% | 0.86 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -117.8 | -4.7 | -176.3 | -69.7 | -176.5 | -179.1 | -168.7 | 0 | 114.8 | T57 | T57-R59 PolarHBondContact O-N 3.29Å; T57-R59 VanDerWaalsContact O-N 3.07Å |
| 60 | T | 27.9 | Very low | 26.7 | Very low | 82 Ų | 82 | 95.9 Ų | 95.9 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | | | trans | -138.1 | 129.5 | 175.2 | 27 | 0 | 0 | 0 | 0 | 110 | | |
| 61 | A | 25.4 | Very low | 26.8 | Very low | 47 Ų | 47 | 92 Ų | 92 | 39% | 0.388 | 55% | 0.55 | S | S | . | . | B | Isolated β-bridge | trans | -120.9 | 114.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 62 | A | 28.8 | Very low | 27.3 | Very low | 34 Ų | 34 | 91.7 Ų | 91.7 | 28% | 0.281 | 56% | 0.559 | S | S | . | * | | | trans | -85.7 | 107.2 | 170 | 0 | 0 | 0 | 0 | 0 | 108.7 | F64 | A62-F64 HydrophobicContact CB-CE2 4.09Š|
| 63 | C | 27.3 | Very low | 27.6 | Very low | 54 Ų | 54 | 89.4 Ų | 89.4 | 37% | 0.365 | 54% | 0.544 | S | S | . | . | | | trans | -88.6 | 106.2 | 176.7 | -73 | 0 | 0 | 0 | 0 | 110.1 | L45 L65 | L45-C63 VanDerWaalsContact CD2-O 3.29Å; L45-C63 WeakPolarHBondContact CD2-O 3.26Å; C63-L65 PolarHBondContact O-N 2.91Å; C63-L65 VanDerWaalsContact O-N 3.17Å |
| 64 | F | 27.3 | Very low | 27.9 | Very low | 51 Ų | 51 | 88.8 Ų | 88.8 | 22% | 0.224 | 53% | 0.534 | C | S | . | . | | | trans | -74.6 | 103.1 | 173.5 | -69.4 | -106.3 | 0 | 0 | 0 | 109.4 | N46 G49 E51 C52 A62 | N46-F64 HydrophobicContact CB-CD1 4.28Å; N46-F64 HydrophobicContact CB-CE1 3.61Å; N46-F64 HydrophobicContact CB-CZ 4.09Å; G49-F64 WeakPolarHBondContact O-CD1 3.47Å; E51-F64 WeakPolarHBondContact O-CE1 3.4Å; E51-F64 WeakPolarHBondContact O-CE2 3.43Å; E51-F64 WeakPolarHBondContact O-CZ 3.45Å; C52-F64 HydrophobicContact CB-CD2 4.38Å; A62-F64 HydrophobicContact CB-CE2 4.09Å |
| 65 | L | 26.6 | Very low | 28.2 | Very low | 68 Ų | 68 | 84.4 Ų | 84.4 | 36% | 0.356 | 52% | 0.521 | S | S | . | . | | | trans | -81.9 | 126.3 | 172.7 | -85.9 | 161.7 | 0 | 0 | 0 | 110.2 | C63 I67 L70 | C63-L65 PolarHBondContact O-N 2.91Å; C63-L65 VanDerWaalsContact O-N 3.17Å; L65-I67 PolarHBondContact O-N 3.26Å; L65-L70 HydrophobicContact CD1-CD2 4.3Å |
| 66 | P | 24.6 | Very low | 28.3 | Very low | 69 Ų | 69 | 85.3 Ų | 85.3 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | | | trans | -57 | 131.7 | 171.9 | -24.4 | 33.8 | 0 | 0 | 0 | 111.1 | S68 L69 | P66-S68 PolarHBondContact O-N 3.33Å; P66-L69 HydrophobicContact CB-CD1 4.37Å; P66-L69 HydrophobicContact CG-CD1 4.19Å; P66-L69 PolarHBondContact O-N 3.48Å |
| 67 | I | 30.4 | Very low | 28.7 | Very low | 131 Ų | 131 | 85.1 Ų | 85.1 | 67% | 0.672 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -52.7 | -27.8 | 179.6 | -65.8 | 168.6 | 0 | 0 | 0 | 112 | L65 L69 | L65-I67 PolarHBondContact O-N 3.26Å; I67-L69 PolarHBondContact O-N 3.02Å |
| 68 | S | 27.6 | Very low | 28.9 | Very low | 112 Ų | 112 | 83.3 Ų | 83.3 | 78% | 0.783 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -72.1 | -0.9 | 177.2 | 45.5 | 0 | 0 | 0 | 0 | 116.2 | P66 | P66-S68 PolarHBondContact O-N 3.33Š|
| 69 | L | 30 | Very low | 29.1 | Very low | 105 Ų | 105 | 81.3 Ų | 81.3 | 55% | 0.55 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -116.9 | -4.4 | -178.2 | -74.3 | 168.6 | 0 | 0 | 0 | 114.8 | P66 I67 | P66-L69 HydrophobicContact CB-CD1 4.37Å; P66-L69 HydrophobicContact CG-CD1 4.19Å; P66-L69 PolarHBondContact O-N 3.48Å; I67-L69 PolarHBondContact O-N 3.02Å |
| 70 | L | 30.7 | Very low | 29.2 | Very low | 50 Ų | 50 | 77 Ų | 77 | 26% | 0.262 | 48% | 0.479 | S | S | . | . | | | trans | -94.8 | 118.3 | 179.1 | -68.9 | 169.5 | 0 | 0 | 0 | 110.5 | W47 L65 | W47-L70 HydrophobicContact CZ2-CD1 4Å; L65-L70 HydrophobicContact CD1-CD2 4.3Å |
| 71 | P | 28.5 | Very low | 29.3 | Very low | 64 Ų | 64 | 79.4 Ų | 79.4 | 42% | 0.416 | 49% | 0.485 | S | S | . | . | | | trans | -67.6 | 159.8 | 168.7 | 29.5 | -33 | 0 | 0 | 0 | 110.6 | S73 W77 | P71-S73 PolarHBondContact O-N 3.06Å; P71-W77 VanDerWaalsContact CG-CD1 3.49Å |
| 72 | T | 34.9 | Very low | 29.5 | Very low | 156 Ų | 156 | 78.6 Ų | 78.6 | 96% | 0.957 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -66.5 | 14.5 | -166.5 | 47.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 73 | S | 32.3 | Very low | 29.6 | Very low | 53 Ų | 53 | 82 Ų | 82 | 37% | 0.371 | 49% | 0.491 | S | S | . | . | | | trans | -147.1 | 117.5 | 178.1 | 179 | 0 | 0 | 0 | 0 | 111.9 | P71 A75 A76 | P71-S73 PolarHBondContact O-N 3.06Å; S73-A75 PolarHBondContact O-N 3.3Å; S73-A76 WeakPolarHBondContact O-CB 3.4Å; S73-A76 PolarHBondContact O-N 3.46Å; S73-A76 VanDerWaalsContact O-N 3.11Å |
| 74 | P | 31 | Very low | 29.7 | Very low | 64 Ų | 64 | 83 Ų | 83 | 42% | 0.416 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -57.2 | -33 | 173.7 | -26 | 35.2 | 0 | 0 | 0 | 113.7 | A76 W77 M118 | P74-A76 PolarHBondContact O-N 3.02Å; P74-W77 PolarHBondContact O-N 3.35Å; P74-M118 HydrophobicContact CB-SD 4.01Å |
| 75 | A | 30.3 | Very low | 29.8 | Very low | 69 Ų | 69 | 83.6 Ų | 83.6 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -67.1 | -18.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S73 W77 | S73-A75 PolarHBondContact O-N 3.3Å; A75-W77 VanDerWaalsContact C-N 3.3Å; A75-W77 PolarHBondContact O-N 3.1Å |
| 76 | A | 30 | Very low | 29.9 | Very low | 72 Ų | 72 | 84.9 Ų | 84.9 | 60% | 0.595 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -77.4 | -13.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S73 P74 | S73-A76 WeakPolarHBondContact O-CB 3.4Å; S73-A76 PolarHBondContact O-N 3.46Å; S73-A76 VanDerWaalsContact O-N 3.11Å; P74-A76 PolarHBondContact O-N 3.02Å |
| 77 | W | 31.6 | Very low | 30.1 | Very low | 125 Ų | 125 | 83.1 Ų | 83.1 | 47% | 0.473 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -32.1 | -173.7 | -95 | 54.4 | 0 | 0 | 0 | 114.6 | P71 P74 A75 | P71-W77 VanDerWaalsContact CG-CD1 3.49Å; P74-W77 PolarHBondContact O-N 3.35Å; A75-W77 VanDerWaalsContact C-N 3.3Å; A75-W77 PolarHBondContact O-N 3.1Å |
| 78 | L | 31.9 | Very low | 29.9 | Very low | 43 Ų | 43 | 87 Ų | 87 | 23% | 0.225 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -106.1 | 4.7 | -169.5 | -62 | 176.7 | 0 | 0 | 0 | 114 | A82 M118 V120 | L78-A82 HydrophobicContact CB-CB 3.34Å; L78-A82 HydrophobicContact CD1-CB 3.92Å; L78-A82 HydrophobicContact CG-CB 4.3Å; L78-M118 HydrophobicContact CD1-CE 3.65Å; L78-M118 HydrophobicContact CD1-CG 4.32Å; L78-M118 HydrophobicContact CD1-SD 3.71Å; L78-V120 HydrophobicContact CD1-CG1 4.24Å; L78-V120 HydrophobicContact CD1-CG2 3.65Å; L78-V120 HydrophobicContact CD2-CG1 3.68Å; L78-V120 HydrophobicContact CD2-CG2 4.18Å |
| 79 | G | 28.7 | Very low | 29.9 | Very low | 31 Ų | 31 | 85.3 Ų | 85.3 | 32% | 0.32 | 50% | 0.502 | S | S | . | . | | | trans | 71.9 | 179.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E81 | G79-E81 PolarHBondContact O-N 3.03Š|
| 80 | P | 28.1 | Very low | 29.8 | Very low | 136 Ų | 136 | 84.2 Ų | 84.2 | 88% | 0.883 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.5 | -173.7 | 28.8 | -35.1 | 0 | 0 | 0 | 114.8 | | |
| 81 | E | 29.1 | Very low | 29.5 | Very low | 133 Ų | 133 | 86.1 Ų | 86.1 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 3.7 | -175.1 | -60.4 | -175.3 | 166.8 | 0 | 0 | 113.6 | G79 L83 | G79-E81 PolarHBondContact O-N 3.03Å; E81-L83 PolarHBondContact O-N 3.44Å |
| 82 | A | 29.9 | Very low | 29.4 | Very low | 30 Ų | 30 | 90.3 Ų | 90.3 | 25% | 0.248 | 55% | 0.554 | C | S | . | * | | | trans | -79.3 | 111.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L78 | L78-A82 HydrophobicContact CB-CB 3.34Å; L78-A82 HydrophobicContact CD1-CB 3.92Å; L78-A82 HydrophobicContact CG-CB 4.3Å |
| 83 | L | 29.9 | Very low | 28.9 | Very low | 107 Ų | 107 | 85.7 Ų | 85.7 | 56% | 0.56 | 54% | 0.538 | S | S | * | . | | | trans | -92.4 | 106.1 | -178.8 | -144.6 | 87.4 | 0 | 0 | 0 | 112.2 | E81 L85 | E81-L83 PolarHBondContact O-N 3.44Å; L83-L85 HydrophobicContact CD2-CD2 4.03Å |
| 84 | C | 31.1 | Very low | 28.7 | Very low | 73 Ų | 73 | 90.1 Ų | 90.1 | 49% | 0.493 | 56% | 0.557 | S | S | . | * | | | trans | -79.1 | 119.8 | 171.6 | -67.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 85 | L | 29.4 | Very low | 28.3 | Very low | 64 Ų | 64 | 97.8 Ų | 97.8 | 34% | 0.335 | 58% | 0.577 | S | S | . | * | | | trans | -104.2 | 127.3 | 176.3 | -68.7 | 177 | 0 | 0 | 0 | 110.8 | V24 L83 G87 L119 | V24-L85 HydrophobicContact CG1-CD1 4.32Å; L83-L85 HydrophobicContact CD2-CD2 4.03Å; L85-G87 PolarHBondContact O-N 3.07Å; L85-G87 VanDerWaalsContact O-N 3.11Å; L85-L119 HydrophobicContact CD1-CB 4.35Å; L85-L119 HydrophobicContact CD1-CD2 3.89Å |
| 86 | P | 28.1 | Very low | 28.3 | Very low | 96 Ų | 96 | 102.5 Ų | 102.5 | 62% | 0.623 | 59% | 0.593 | S | S | * | * | | | trans | -74 | 105.5 | 178.4 | 29 | -33.4 | 0 | 0 | 0 | 110.9 | | |
| 87 | G | 29 | Very low | 28.2 | Very low | 32 Ų | 32 | 105.1 Ų | 105.1 | 33% | 0.33 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -80.3 | 145.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L85 | L85-G87 PolarHBondContact O-N 3.07Å; L85-G87 VanDerWaalsContact O-N 3.11Å |
| 88 | R | 26.7 | Very low | 27.8 | Very low | 213 Ų | 213 | 103.7 Ų | 103.7 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 141.2 | 165.5 | -77.7 | -174.8 | 174.7 | -177 | -1.3 | 109.9 | | |
| 89 | P | 27.1 | Very low | 27.4 | Very low | 76 Ų | 76 | 104 Ų | 104 | 49% | 0.494 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -70.2 | 137.7 | 169.7 | 30 | -33 | 0 | 0 | 0 | 110.3 | | |
| 90 | G | 27.7 | Very low | 27.2 | Very low | 81 Ų | 81 | 108.1 Ų | 108.1 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 72.2 | 45 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 91 | T | 25 | Very low | 27.2 | Very low | 90 Ų | 90 | 109 Ų | 109 | 55% | 0.552 | 66% | 0.657 | S | S | * | * | | | trans | -126 | 97.3 | 158.9 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | G93 | T91-G93 PolarHBondContact O-N 3.45Š|
| 92 | T | 25.1 | Very low | 26.8 | Very low | 152 Ų | 152 | 110 Ų | 110 | 93% | 0.933 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -57.9 | 117 | 153.3 | 31.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 93 | G | 24.2 | Very low | 26.7 | Very low | 60 Ų | 60 | 115.1 Ų | 115.1 | 62% | 0.619 | 69% | 0.688 | S | S | * | * | | | trans | 92 | 84.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T91 R95 | T91-G93 PolarHBondContact O-N 3.45Å; G93-R95 VanDerWaalsContact C-N 3.31Å; G93-R95 PolarHBondContact O-N 3.01Å |
| 94 | L | 28.3 | Very low | 26.5 | Very low | 145 Ų | 145 | 114.7 Ų | 114.7 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | | | trans | -69.6 | 94.6 | 152.8 | -154.4 | 86.2 | 0 | 0 | 0 | 106.8 | | |
| 95 | R | 24.2 | Very low | 26.1 | Very low | 226 Ų | 226 | 115.8 Ų | 115.8 | 85% | 0.853 | 70% | 0.698 | S | S | * | * | | | trans | -63.7 | 139.6 | 176.3 | -92.6 | -173.2 | 168.1 | -170.5 | -3.5 | 110 | G93 T97 | G93-R95 VanDerWaalsContact C-N 3.31Å; G93-R95 PolarHBondContact O-N 3.01Å; R95-T97 PolarHBondContact O-N 2.95Å |
| 96 | D | 29.2 | Very low | 26 | Very low | 167 Ų | 167 | 118.5 Ų | 118.5 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | | | trans | -52 | 108.2 | 172.5 | -72.6 | -60.4 | 0 | 0 | 0 | 111.6 | | |
| 97 | T | 27.9 | Very low | 25.8 | Very low | 128 Ų | 128 | 119 Ų | 119 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | -124.8 | 97 | 157.7 | 42.9 | 0 | 0 | 0 | 0 | 106.2 | R95 G99 | R95-T97 PolarHBondContact O-N 2.95Å; T97-G99 PolarHBondContact O-N 2.88Å |
| 98 | G | 24.3 | Very low | 25.6 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 97% | 0.969 | 74% | 0.743 | S | S | * | * | | | trans | -69.9 | 47.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 99 | G | 23.4 | Very low | 25.6 | Very low | 51 Ų | 51 | 119.7 Ų | 119.7 | 53% | 0.526 | 73% | 0.732 | S | S | . | * | | | trans | -89.1 | 156.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T97 | T97-G99 PolarHBondContact O-N 2.88Š|
| 100 | P | 23.9 | Very low | 25.5 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | | | trans | -60.4 | 139.6 | 171.2 | 26.3 | -33.7 | 0 | 0 | 0 | 110.8 | L102 | P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 3.46Å |
| 101 | L | 27.7 | Very low | 25.4 | Very low | 156 Ų | 156 | 128 Ų | 128 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | | | trans | -68.1 | 84.4 | 177.9 | -110.3 | 159.8 | 0 | 0 | 0 | 110.4 | L103 | L101-L103 PolarHBondContact O-N 3.26Š|
| 102 | L | 21.9 | Very low | 25.4 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | | | trans | -79.2 | 105.8 | 171.1 | -72.7 | 169.8 | 0 | 0 | 0 | 109.2 | P100 | P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 3.46Å |
| 103 | L | 26.4 | Very low | 25.5 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.9 | 168.6 | -70.3 | 166.1 | 0 | 0 | 0 | 108.9 | L101 | L101-L103 PolarHBondContact O-N 3.26Š|
| 104 | P | 25.8 | Very low | 25.7 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 144.5 | 173 | 28 | -33.3 | 0 | 0 | 0 | 109.8 | | |
| 105 | P | 23.3 | Very low | 25.7 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 62% | 0.623 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 150.6 | 175.7 | 25.2 | -33.6 | 0 | 0 | 0 | 111 | T107 | P105-T107 PolarHBondContact O-N 3.27Š|
| 106 | P | 27.9 | Very low | 25.9 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 7.3 | -165.2 | 27.7 | -36.6 | 0 | 0 | 0 | 115.7 | | |
| 107 | T | 23.6 | Very low | 25.9 | Very low | 107 Ų | 107 | 115.2 Ų | 115.2 | 66% | 0.656 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -1.8 | -165.6 | 31.5 | 0 | 0 | 0 | 0 | 116.4 | P105 | P105-T107 PolarHBondContact O-N 3.27Š|
| 108 | L | 23.6 | Very low | 26 | Very low | 150 Ų | 150 | 110.8 Ų | 110.8 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | | | trans | -130 | 50.7 | -176.5 | -79.4 | 168 | 0 | 0 | 0 | 114.5 | R114 | L108-R114 PolarHBondContact O-NH1 3.22Š|
| 109 | L | 26.6 | Very low | 26.3 | Very low | 108 Ų | 108 | 107.2 Ų | 107.2 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | | | trans | -111.6 | 19.8 | 174.2 | -89.3 | 140.7 | 0 | 0 | 0 | 114.6 | | |
| 110 | Q | 25.2 | Very low | 26.6 | Very low | 185 Ų | 185 | 105.6 Ų | 105.6 | 86% | 0.864 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -80.4 | -23.4 | -171.4 | -87 | -176.2 | -31.6 | 0 | 0 | 117 | | |
| 111 | D | 25.7 | Very low | 26.8 | Very low | 147 Ų | 147 | 101.1 Ų | 101.1 | 79% | 0.786 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -140.8 | 43.1 | -154.9 | -131.3 | -7.3 | 0 | 0 | 0 | 117 | | |
| 112 | T | 24.4 | Very low | 27.1 | Very low | 94 Ų | 94 | 99.3 Ų | 99.3 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -143.9 | 154.3 | 153.4 | 46.5 | 0 | 0 | 0 | 0 | 110.8 | R114 | T112-R114 VanDerWaalsContact C-N 3.34Å; T112-R114 VanDerWaalsContact O-CG 3.3Å; T112-R114 WeakPolarHBondContact O-CG 3.19Å; T112-R114 PolarHBondContact O-N 3.36Å; T112-R114 WeakPolarHBondContact OG1-CG 3.49Å; T112-R114 VanDerWaalsContact OG1-CZ 3.29Å; T112-R114 PolarHBondContact OG1-NE 3.17Å; T112-R114 PolarHBondContact OG1-NH2 3.24Å |
| 113 | T | 28.7 | Very low | 27.3 | Very low | 133 Ų | 133 | 94.4 Ų | 94.4 | 82% | 0.816 | 50% | 0.503 | S | S | * | . | | | trans | -58.4 | 89.7 | 165.5 | 32.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 114 | R | 26.8 | Very low | 27.3 | Very low | 87 Ų | 87 | 90.6 Ų | 90.6 | 33% | 0.328 | 49% | 0.491 | S | S | . | . | | | trans | -99.4 | 109 | -167.9 | -78.8 | 168 | -149.3 | -141.3 | 3.2 | 112.5 | L108 T112 C116 | L108-R114 PolarHBondContact O-NH1 3.22Å; T112-R114 VanDerWaalsContact C-N 3.34Å; T112-R114 VanDerWaalsContact O-CG 3.3Å; T112-R114 WeakPolarHBondContact O-CG 3.19Å; T112-R114 PolarHBondContact O-N 3.36Å; T112-R114 WeakPolarHBondContact OG1-CG 3.49Å; T112-R114 VanDerWaalsContact OG1-CZ 3.29Å; T112-R114 PolarHBondContact OG1-NE 3.17Å; T112-R114 PolarHBondContact OG1-NH2 3.24Å; R114-C116 PolarHBondContact O-N 2.76Å |
| 115 | W | 28.6 | Very low | 27.4 | Very low | 95 Ų | 95 | 92.6 Ų | 92.6 | 36% | 0.36 | 49% | 0.49 | S | S | . | . | | | trans | -62.7 | 112.1 | 160.2 | -56.7 | 82.7 | 0 | 0 | 0 | 109.1 | N46 W47 | N46-W115 WeakPolarHBondContact OD1-CZ3 3.29Å; W47-W115 VanDerWaalsContact O-CE3 3.29Å |
| 116 | C | 28.1 | Very low | 27.7 | Very low | 57 Ų | 57 | 92.6 Ų | 92.6 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | | | trans | -98.6 | 111.8 | -178.8 | -74.4 | 0 | 0 | 0 | 0 | 111.2 | L45 W47 R114 | L45-C116 VanDerWaalsContact O-O 3.08Å; W47-C116 HydrophobicContact CD2-CB 4.25Å; W47-C116 HydrophobicContact CE3-CB 4.01Å; W47-C116 HydrophobicContact CZ3-CB 4.44Å; R114-C116 PolarHBondContact O-N 2.76Å |
| 117 | W | 29.3 | Very low | 27.6 | Very low | 106 Ų | 106 | 95.3 Ų | 95.3 | 40% | 0.402 | 49% | 0.489 | S | S | . | . | | | trans | -82.1 | 116.1 | 173.7 | -63.5 | 74 | 0 | 0 | 0 | 109.3 | E44 | E44-W117 HydrophobicContact CB-CZ3 4.31Å; E44-W117 HydrophobicContact CG-CE3 4.05Å; E44-W117 HydrophobicContact CG-CH2 4.04Å; E44-W117 HydrophobicContact CG-CZ3 3.46Å; E44-W117 VanDerWaalsContact CG-CZ3 3.46Å; E44-W117 VanDerWaalsContact OE1-CH2 3.26Å; E44-W117 WeakPolarHBondContact OE1-CH2 3.13Å |
| 118 | M | 30.2 | Very low | 27.9 | Very low | 34 Ų | 34 | 94.1 Ų | 94.1 | 17% | 0.167 | 50% | 0.499 | C | S | . | . | | | trans | -109.2 | 100.6 | -177.1 | -169.5 | 161.5 | 69.2 | 0 | 0 | 111.6 | L45 P74 L78 V120 | L45-M118 HydrophobicContact CD1-CB 4.04Å; L45-M118 HydrophobicContact CD1-CE 3.35Å; P74-M118 HydrophobicContact CB-SD 4.01Å; L78-M118 HydrophobicContact CD1-CE 3.65Å; L78-M118 HydrophobicContact CD1-CG 4.32Å; L78-M118 HydrophobicContact CD1-SD 3.71Å; M118-V120 HydrophobicContact CE-CG2 4.18Å; M118-V120 HydrophobicContact CG-CG2 4.07Å; M118-V120 PolarHBondContact O-N 3.28Å |
| 119 | L | 30.7 | Very low | 28.2 | Very low | 20 Ų | 20 | 92.7 Ų | 92.7 | 11% | 0.105 | 49% | 0.492 | C | S | . | . | | | trans | -73.6 | 92.9 | 177.2 | -172.8 | 73.6 | 0 | 0 | 0 | 110.7 | L25 L42 L85 L121 | L25-L119 HydrophobicContact CD2-CD1 4.43Å; L42-L119 HydrophobicContact CB-CD1 4.48Å; L42-L119 HydrophobicContact CD1-CD1 3.46Å; L42-L119 VanDerWaalsContact CD1-CD1 3.46Å; L42-L119 HydrophobicContact CG-CD1 3.77Å; L85-L119 HydrophobicContact CD1-CB 4.35Å; L85-L119 HydrophobicContact CD1-CD2 3.89Å; L119-L121 HydrophobicContact CD1-CD2 4.01Å; L119-L121 HydrophobicContact CD2-CD1 4Å; L119-L121 HydrophobicContact CD2-CD2 4.09Å; L119-L121 HydrophobicContact CD2-CG 4.06Å; L119-L121 HydrophobicContact CG-CD1 4.46Å; L119-L121 HydrophobicContact CG-CD2 3.79Å; L119-L121 HydrophobicContact CG-CG 3.96Å; L119-L121 PolarHBondContact O-N 2.89Å |
| 120 | V | 29.9 | Very low | 28.4 | Very low | 16 Ų | 16 | 90.5 Ų | 90.5 | 10% | 0.097 | 49% | 0.486 | C | S | . | . | | | trans | -86.4 | 96.6 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | L43 L78 M118 | L43-V120 HydrophobicContact CB-CB 4.39Å; L43-V120 HydrophobicContact CB-CG2 4.32Å; L78-V120 HydrophobicContact CD1-CG1 4.24Å; L78-V120 HydrophobicContact CD1-CG2 3.65Å; L78-V120 HydrophobicContact CD2-CG1 3.68Å; L78-V120 HydrophobicContact CD2-CG2 4.18Å; M118-V120 HydrophobicContact CE-CG2 4.18Å; M118-V120 HydrophobicContact CG-CG2 4.07Å; M118-V120 PolarHBondContact O-N 3.28Å |
| 121 | L | 28.9 | Very low | 28.7 | Very low | 23 Ų | 23 | 84.5 Ų | 84.5 | 12% | 0.12 | 46% | 0.463 | C | S | . | . | | | trans | -87.5 | 117.4 | 174.2 | -58.1 | -174.2 | 0 | 0 | 0 | 109.8 | A28 L32 L40 L119 | A28-L121 HydrophobicContact CB-CD1 3.86Å; L32-L121 HydrophobicContact CD1-CB 3.94Å; L32-L121 HydrophobicContact CD1-CD1 3.48Å; L32-L121 VanDerWaalsContact CD1-CD1 3.48Å; L32-L121 HydrophobicContact CD1-CG 4.34Å; L40-L121 HydrophobicContact CD2-CD1 4.14Å; L40-L121 HydrophobicContact CD2-CD2 3.78Å; L40-L121 HydrophobicContact CD2-CG 4.37Å; L119-L121 HydrophobicContact CD1-CD2 4.01Å; L119-L121 HydrophobicContact CD2-CD1 4Å; L119-L121 HydrophobicContact CD2-CD2 4.09Å; L119-L121 HydrophobicContact CD2-CG 4.06Å; L119-L121 HydrophobicContact CG-CD1 4.46Å; L119-L121 HydrophobicContact CG-CD2 3.79Å; L119-L121 HydrophobicContact CG-CG 3.96Å; L119-L121 PolarHBondContact O-N 2.89Å |
| 122 | W | 32.9 | Very low | 29 | Very low | 118 Ų | 118 | 83.3 Ų | 83.3 | 45% | 0.447 | 45% | 0.452 | S | S | . | . | | | trans | -114.3 | 121.4 | -175.9 | -166.3 | -82.7 | 0 | 0 | 0 | 111.1 | A124 | W122-A124 PolarHBondContact O-N 3.23Š|
| 123 | P | 26.1 | Very low | 29.2 | Very low | 50 Ų | 50 | 80 Ų | 80 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | | | trans | -71.6 | 116 | 176.3 | 27.7 | -32.2 | 0 | 0 | 0 | 110.5 | K125 | P123-K125 PolarHBondContact O-N 3.47Š|
| 124 | A | 27.4 | Very low | 29.3 | Very low | 57 Ų | 57 | 77.2 Ų | 77.2 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 13 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P39 W122 | P39-A124 HydrophobicContact CG-CB 4.35Å; W122-A124 PolarHBondContact O-N 3.23Å |
| 125 | K | 26.6 | Very low | 29.4 | Very low | 141 Ų | 141 | 77 Ų | 77 | 61% | 0.613 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -4.7 | 178.4 | -92.7 | 173.4 | 173.7 | 159.6 | 0 | 113.7 | E35 P123 H127 | E35-K125 IonicContact OE1-NZ 2.63Å; E35-K125 IonicContact OE2-NZ 3.85Å; E35-K125 PolarHBondContact OE2-NZ 2.89Å; P123-K125 PolarHBondContact O-N 3.47Å; K125-H127 PolarHBondContact O-N 3.11Å |
| 126 | V | 30.5 | Very low | 29.4 | Very low | 96 Ų | 96 | 81.6 Ų | 81.6 | 58% | 0.582 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -73.1 | 121.1 | 170.4 | -170 | 0 | 0 | 0 | 0 | 109.2 | | |
| 127 | H | 25.6 | Very low | 29.5 | Very low | 177 Ų | 177 | 84.4 Ų | 84.4 | 82% | 0.819 | 45% | 0.449 | S | S | * | . | | | trans | -57.7 | 140.1 | -170.9 | -91.2 | 14.2 | 0 | 0 | 0 | 115 | K125 D129 | K125-H127 PolarHBondContact O-N 3.11Å; H127-D129 VanDerWaalsContact C-N 3.26Å; H127-D129 PolarHBondContact O-N 2.8Å |
| 128 | G | 29.3 | Very low | 29.6 | Very low | 83 Ų | 83 | 85 Ų | 85 | 86% | 0.856 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 79.2 | -50.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 129 | D | 30.4 | Very low | 29.5 | Very low | 119 Ų | 119 | 86.2 Ų | 86.2 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | | | trans | -94.3 | 114.1 | -168 | -66.2 | -36.5 | 0 | 0 | 0 | 112.2 | H127 I134 | H127-D129 VanDerWaalsContact C-N 3.26Å; H127-D129 PolarHBondContact O-N 2.8Å; D129-I134 HydrophobicContact CB-CD1 4.08Å; D129-I134 HydrophobicContact CB-CG1 3.95Å |
| 130 | S | 30.8 | Very low | 29.2 | Very low | 63 Ų | 63 | 87.6 Ų | 87.6 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | | | trans | -53.7 | 142.8 | 166.6 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | H132 G133 I134 | S130-H132 PolarHBondContact O-N 3.25Å; S130-H132 PolarHBondContact OG-N 3.48Å; S130-G133 WeakPolarHBondContact O-CA 3.4Å; S130-G133 PolarHBondContact O-N 3.27Å; S130-I134 PolarHBondContact O-N 3.31Å |
| 131 | P | 32.6 | Very low | 29 | Very low | 59 Ų | 59 | 90.3 Ų | 90.3 | 38% | 0.383 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.5 | -23.7 | 174 | 23 | -33.4 | 0 | 0 | 0 | 112.5 | L135 | P131-L135 WeakPolarHBondContact O-CB 3.47Å; P131-L135 WeakPolarHBondContact O-CG 3.36Å; P131-L135 PolarHBondContact O-N 2.96Å |
| 132 | H | 30.7 | Very low | 29.1 | Very low | 121 Ų | 121 | 96.1 Ų | 96.1 | 56% | 0.56 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.1 | -34.1 | 169.5 | -69.4 | -79.7 | 0 | 0 | 0 | 113.4 | S130 R136 | S130-H132 PolarHBondContact O-N 3.25Å; S130-H132 PolarHBondContact OG-N 3.48Å; H132-R136 WeakPolarHBondContact O-CB 3.49Å; H132-R136 PolarHBondContact O-N 2.84Å |
| 133 | G | 28.9 | Very low | 28.9 | Very low | 25 Ų | 25 | 92.6 Ų | 92.6 | 26% | 0.258 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -54.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S130 L135 R136 D137 | S130-G133 WeakPolarHBondContact O-CA 3.4Å; S130-G133 PolarHBondContact O-N 3.27Å; G133-L135 PolarHBondContact O-N 2.98Å; G133-R136 CarbonylContact O-C 3.58Å; G133-R136 PolarHBondContact O-N 3.04Å; G133-R136 VanDerWaalsContact O-N 3.09Å; G133-D137 WeakPolarHBondContact O-CB 3.37Å; G133-D137 PolarHBondContact O-N 3.13Å |
| 134 | I | 30.3 | Very low | 28.8 | Very low | 74 Ų | 74 | 100 Ų | 100 | 38% | 0.379 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.8 | -44.3 | -177.4 | -58.6 | 173.1 | 0 | 0 | 0 | 111.6 | D129 S130 Q138 | D129-I134 HydrophobicContact CB-CD1 4.08Å; D129-I134 HydrophobicContact CB-CG1 3.95Å; S130-I134 PolarHBondContact O-N 3.31Å; I134-Q138 WeakPolarHBondContact O-CG 3.16Å; I134-Q138 PolarHBondContact O-N 3.07Å; I134-Q138 VanDerWaalsContact O-N 3.07Å |
| 135 | L | 30.4 | Very low | 28.9 | Very low | 82 Ų | 82 | 106.3 Ų | 106.3 | 43% | 0.429 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.6 | -36.4 | 176.1 | -70.4 | 172 | 0 | 0 | 0 | 112.3 | P131 G133 A139 | P131-L135 WeakPolarHBondContact O-CB 3.47Å; P131-L135 WeakPolarHBondContact O-CG 3.36Å; P131-L135 PolarHBondContact O-N 2.96Å; G133-L135 PolarHBondContact O-N 2.98Å; L135-A139 WeakPolarHBondContact O-CB 2.97Å; L135-A139 PolarHBondContact O-N 3.25Å; L135-A139 VanDerWaalsContact O-N 3.15Å |
| 136 | R | 28.4 | Very low | 28.8 | Very low | 193 Ų | 193 | 109 Ų | 109 | 73% | 0.728 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75 | -33.6 | 179.8 | -167.9 | -179.2 | -150.1 | -177.4 | 6 | 112.3 | H132 G133 A139 A140 | H132-R136 WeakPolarHBondContact O-CB 3.49Å; H132-R136 PolarHBondContact O-N 2.84Å; G133-R136 CarbonylContact O-C 3.58Å; G133-R136 PolarHBondContact O-N 3.04Å; G133-R136 VanDerWaalsContact O-N 3.09Å; R136-A139 PolarHBondContact O-N 3.42Å; R136-A140 WeakPolarHBondContact O-CB 3.39Å; R136-A140 PolarHBondContact O-N 3.32Å |
| 137 | D | 30.3 | Very low | 28.5 | Very low | 116 Ų | 116 | 112.8 Ų | 112.8 | 62% | 0.62 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -78.8 | -34.9 | 178 | -74.8 | -20.9 | 0 | 0 | 0 | 112.5 | G133 A139 A140 G141 | G133-D137 WeakPolarHBondContact O-CB 3.37Å; G133-D137 PolarHBondContact O-N 3.13Å; D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 3.22Å; D137-A140 PolarHBondContact O-N 3.43Å; D137-G141 PolarHBondContact O-N 3.15Å |
| 138 | Q | 29.9 | Very low | 28.4 | Very low | 117 Ų | 117 | 109.7 Ų | 109.7 | 55% | 0.547 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.2 | -34.3 | 167.5 | -73 | -166.4 | 3.3 | 0 | 0 | 112.1 | I134 I142 | I134-Q138 WeakPolarHBondContact O-CG 3.16Å; I134-Q138 PolarHBondContact O-N 3.07Å; I134-Q138 VanDerWaalsContact O-N 3.07Å; Q138-I142 WeakPolarHBondContact O-CD1 3.3Å; Q138-I142 WeakPolarHBondContact O-CG1 3.43Å |
| 139 | A | 28.4 | Very low | 28.2 | Very low | 60 Ų | 60 | 112.2 Ų | 112.2 | 50% | 0.496 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73 | -40 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L135 R136 D137 I142 G143 | L135-A139 WeakPolarHBondContact O-CB 2.97Å; L135-A139 PolarHBondContact O-N 3.25Å; L135-A139 VanDerWaalsContact O-N 3.15Å; R136-A139 PolarHBondContact O-N 3.42Å; D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 3.22Å; A139-I142 WeakPolarHBondContact O-CB 3.49Å; A139-I142 PolarHBondContact O-N 3.24Å; A139-I142 VanDerWaalsContact O-N 3.11Å; A139-G143 PolarHBondContact O-N 3.47Å |
| 140 | A | 25.8 | Very low | 27.8 | Very low | 49 Ų | 49 | 114.9 Ų | 114.9 | 41% | 0.405 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -72.6 | -30.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R136 D137 I142 G143 | R136-A140 WeakPolarHBondContact O-CB 3.39Å; R136-A140 PolarHBondContact O-N 3.32Å; D137-A140 PolarHBondContact O-N 3.43Å; A140-I142 PolarHBondContact O-N 3.07Å; A140-I142 VanDerWaalsContact O-N 3.16Å; A140-G143 PolarHBondContact O-N 3.38Å |
| 141 | G | 25.8 | Very low | 27.3 | Very low | 73 Ų | 73 | 118.2 Ų | 118.2 | 75% | 0.753 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -17.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D137 | D137-G141 PolarHBondContact O-N 3.15Š|
| 142 | I | 29.6 | Very low | 26.9 | Very low | 146 Ų | 146 | 121.3 Ų | 121.3 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -10.2 | 178.1 | -57.6 | 170.8 | 0 | 0 | 0 | 111.3 | Q138 A139 A140 | Q138-I142 WeakPolarHBondContact O-CD1 3.3Å; Q138-I142 WeakPolarHBondContact O-CG1 3.43Å; A139-I142 WeakPolarHBondContact O-CB 3.49Å; A139-I142 PolarHBondContact O-N 3.24Å; A139-I142 VanDerWaalsContact O-N 3.11Å; A140-I142 PolarHBondContact O-N 3.07Å; A140-I142 VanDerWaalsContact O-N 3.16Å |
| 143 | G | 28.4 | Very low | 26.5 | Very low | 43 Ų | 43 | 120.1 Ų | 120.1 | 44% | 0.443 | 66% | 0.662 | S | S | . | * | | | trans | -120.1 | 19.1 | -159.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | A139 A140 E145 | A139-G143 PolarHBondContact O-N 3.47Å; A140-G143 PolarHBondContact O-N 3.38Å; G143-E145 PolarHBondContact O-N 3.32Å |
| 144 | K | 25.9 | Very low | 26.1 | Very low | 206 Ų | 206 | 127.2 Ų | 127.2 | 90% | 0.896 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 9.6 | -175.7 | -93 | -166.3 | 174.9 | -176.3 | 0 | 117.2 | | |
| 145 | E | 28.1 | Very low | 25.7 | Very low | 190 Ų | 190 | 130.2 Ų | 130.2 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 41 | 176.7 | -67.6 | -170.8 | 159.5 | 0 | 0 | 113.3 | G143 | G143-E145 PolarHBondContact O-N 3.32Š|
| 146 | F | 25.2 | Very low | 25.5 | Very low | 197 Ų | 197 | 132 Ų | 132 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | | | trans | -124.4 | 91 | 165.4 | -116.5 | -94.8 | 0 | 0 | 0 | 111.4 | | |
| 147 | H | 23.3 | Very low | 25.2 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | | | trans | -92.3 | 131.8 | 166.2 | -124.5 | -9.3 | 0 | 0 | 0 | 108.4 | D149 | H147-D149 PolarHBondContact O-N 3.43Š|
| 148 | P | 24.8 | Very low | 24.8 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -4.9 | -162.7 | 30.5 | -35.8 | 0 | 0 | 0 | 116.1 | | |
| 149 | D | 24.8 | Very low | 25.5 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 1.2 | -162.6 | -74 | -43.3 | 0 | 0 | 0 | 117 | H147 | H147-D149 PolarHBondContact O-N 3.43Š|
| 150 | H | 21.9 | Very low | 25.1 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | | | trans | -127.2 | 97.2 | -177 | -78.5 | 27.3 | 0 | 0 | 0 | 113.1 | P152 | H150-P152 VanDerWaalsContact O-CD 3.3Å; H150-P152 WeakPolarHBondContact O-CD 3.45Å |
| 151 | C | 20.7 | Very low | 25 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 90% | 0.899 | 78% | 0.783 | S | S | * | * | | | trans | -84.9 | 109 | 155.8 | -79.3 | 0 | 0 | 0 | 0 | 109.4 | S153 | C151-S153 PolarHBondContact O-N 3.32Š|
| 152 | P | 23.3 | Very low | 25 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | trans | -82.9 | 111.6 | 177.3 | 32.2 | -31.6 | 0 | 0 | 0 | 110.4 | H150 | H150-P152 VanDerWaalsContact O-CD 3.3Å; H150-P152 WeakPolarHBondContact O-CD 3.45Å |
| 153 | S | 22.2 | Very low | 25.1 | Very low | 96 Ų | 96 | 151.9 Ų | 151.9 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | | | trans | -75 | 148.9 | 160.4 | 67.8 | 0 | 0 | 0 | 0 | 110.6 | C151 | C151-S153 PolarHBondContact O-N 3.32Š|
| 154 | Q | 21.2 | Very low | 25 | Very low | 174 Ų | 174 | 157.1 Ų | 157.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 86.6 | 113.8 | 162.8 | -49.1 | -176 | 18.7 | 0 | 0 | 120.6 | | |
| 155 | V | 20.6 | Very low | 24.8 | Very low | 136 Ų | 136 | 156.6 Ų | 156.6 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | | 48.9 | 132.9 | 125.4 | -170.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 156 | P | 27.8 | Very low | 24.6 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -94.5 | 156.5 | -161.2 | 37.6 | -37.5 | 0 | 0 | 0 | 116.5 | | |
| 157 | R | 20.3 | Very low | 24.6 | Very low | 253 Ų | 253 | 150.9 Ų | 150.9 | 96% | 0.955 | 79% | 0.794 | S | S | * | * | | | trans | -138.9 | 143.1 | 159.1 | -69.8 | -172 | 175.4 | 176.8 | -0.2 | 112.6 | | |
| 158 | R | 22.2 | Very low | 24.6 | Very low | 242 Ų | 242 | 146.3 Ų | 146.3 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | | | trans | -100 | -178.4 | 170.3 | -99 | -175 | -179 | -176.3 | 2.5 | 109.2 | | |
| 159 | P | 44.2 | Very low | 24.6 | Very low | 88 Ų | 88 | 146.3 Ų | 146.3 | 57% | 0.571 | 80% | 0.797 | S | S | * | * | | | cis | -134.3 | -170.5 | -29.8 | 35.7 | -16.7 | 0 | 0 | 0 | 112.6 | | |
| 160 | H | 22 | Very low | 24.6 | Very low | 175 Ų | 175 | 145.1 Ų | 145.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | | 170.3 | 178.3 | 127.6 | -90.9 | -68.2 | 0 | 0 | 0 | 113.9 | | |
| 161 | H | 22.8 | Very low | 24.7 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | trans | -124 | 145.9 | -149.3 | -79.7 | -114.2 | 0 | 0 | 0 | 117.1 | | |
| 162 | T | 24.7 | Very low | 24.8 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 39.2 | 162.8 | 140.3 | 61.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 163 | P | 31.8 | Very low | 24.9 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | cis | -139.1 | -153.2 | 15.2 | 40.6 | -17 | 0 | 0 | 0 | 117.5 | | |
| 164 | F | 26.3 | Very low | 24.9 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | | | trans | -89.6 | 164.8 | -163.8 | -96.8 | -95.3 | 0 | 0 | 0 | 118.7 | | |
| 165 | Q | 23 | Very low | 25 | Very low | 196 Ų | 196 | 154.9 Ų | 154.9 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | | | | -170.9 | 151.8 | 121.1 | -107.6 | -172.5 | 21.8 | 0 | 0 | 116.5 | | |
| 166 | G | 24.2 | Very low | 25.2 | Very low | 67 Ų | 67 | 155.2 Ų | 155.2 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | | | trans | 81.4 | -179.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 167 | Q | 23.9 | Very low | 25 | Very low | 199 Ų | 199 | 157.1 Ų | 157.1 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | | | | -162.7 | 145.9 | -63 | -162.5 | 152.8 | -28.7 | 0 | 0 | 113.3 | | |
| 168 | G | 24.1 | Very low | 25.1 | Very low | 79 Ų | 79 | 150.3 Ų | 150.3 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | 69.3 | 160.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 169 | S | 24.9 | Very low | 25.2 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | cis | -156.4 | 164.5 | -14.9 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 170 | S | 24 | Very low | 24.3 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | 47.3 | 107.2 | 168.2 | 55.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 171 | K | 24.5 | Very low | 24.4 | Very low | 202 Ų | 202 | 144.3 Ų | 144.3 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | | | trans | -94.4 | 136.2 | 173.3 | -62.2 | 174 | 179.2 | 175.6 | 0 | 112.5 | | |
| 172 | P | 22.9 | Very low | 24.5 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -75.2 | 135.8 | 147.5 | 31.1 | -29.6 | 0 | 0 | 0 | 109.7 | A174 | P172-A174 PolarHBondContact O-N 3.11Å; P172-A174 VanDerWaalsContact O-N 3.14Å |
| 173 | R | 24.2 | Very low | 24.5 | Very low | 247 Ų | 247 | 144.1 Ų | 144.1 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | | | trans | -77.9 | 93.1 | 175.1 | -80.4 | 179.8 | 169.9 | 171.3 | -3.9 | 110.2 | R175 | R173-R175 PolarHBondContact O-N 2.81Š|
| 174 | A | 24.2 | Very low | 24.3 | Very low | 84 Ų | 84 | 143.7 Ų | 143.7 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | | | trans | -67.1 | 117.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P172 I176 | P172-A174 PolarHBondContact O-N 3.11Å; P172-A174 VanDerWaalsContact O-N 3.14Å; A174-I176 PolarHBondContact O-N 2.75Å |
| 175 | R | 22.7 | Very low | 24.1 | Very low | 253 Ų | 253 | 143 Ų | 143 | 96% | 0.955 | 80% | 0.803 | S | S | * | * | | | trans | -75.7 | 106.3 | 163.2 | -79.8 | -178.4 | 169.8 | 173.9 | -3.6 | 107.4 | R173 | R173-R175 PolarHBondContact O-N 2.81Š|
| 176 | I | 25.3 | Very low | 24.2 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | -87.2 | 119.7 | 175.1 | -61.3 | 174.2 | 0 | 0 | 0 | 107.5 | A174 C178 | A174-I176 PolarHBondContact O-N 2.75Å; I176-C178 PolarHBondContact O-N 3.09Å |
| 177 | L | 22.5 | Very low | 24.2 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | trans | -80.2 | 110.8 | 171.4 | -154.3 | 80.9 | 0 | 0 | 0 | 108 | C179 | L177-C179 PolarHBondContact O-N 3.45Š|
| 178 | C | 23.5 | Very low | 24.3 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | | | trans | -79.7 | 99.9 | 176.8 | -71.6 | 0 | 0 | 0 | 0 | 110.2 | I176 C180 | I176-C178 PolarHBondContact O-N 3.09Å; C178-C180 PolarHBondContact O-N 3.06Å |
| 179 | C | 24.1 | Very low | 24.4 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | | | trans | -82.9 | 107.6 | 164.8 | -63.2 | 0 | 0 | 0 | 0 | 109 | L177 L181 | L177-C179 PolarHBondContact O-N 3.45Å; C179-L181 PolarHBondContact O-N 2.76Å |
| 180 | C | 24.2 | Very low | 24.4 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -68.7 | 113.8 | 169.5 | -67.5 | 0 | 0 | 0 | 0 | 109.2 | C178 V182 | C178-C180 PolarHBondContact O-N 3.06Å; C180-V182 PolarHBondContact O-N 2.87Å |
| 181 | L | 25.6 | Very low | 24.4 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | | | trans | -75.1 | 96.1 | 173.3 | -153.3 | 88.3 | 0 | 0 | 0 | 108.6 | C179 E183 | C179-L181 PolarHBondContact O-N 2.76Å; L181-E183 HydrophobicContact CD2-CG 4.13Å; L181-E183 PolarHBondContact O-N 3.35Å |
| 182 | V | 24.1 | Very low | 24.5 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | | | trans | -81.7 | 92.6 | 169.4 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | C180 S184 | C180-V182 PolarHBondContact O-N 2.87Å; V182-S184 PolarHBondContact O-N 3.31Å |
| 183 | E | 24.5 | Very low | 24.8 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -64.4 | 120.5 | 164.8 | -74.7 | -174.4 | 152.4 | 0 | 0 | 108.5 | L181 L185 | L181-E183 HydrophobicContact CD2-CG 4.13Å; L181-E183 PolarHBondContact O-N 3.35Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 3.47Å |
| 184 | S | 26.9 | Very low | 25 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -70.9 | 85.8 | 178.9 | 55.6 | 0 | 0 | 0 | 0 | 110.8 | V182 | V182-S184 PolarHBondContact O-N 3.31Š|
| 185 | L | 23.1 | Very low | 25.3 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | -59.8 | 154.9 | 152.8 | -71.9 | 169 | 0 | 0 | 0 | 109.4 | E183 | E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 3.47Å |
| 186 | P | 24.2 | Very low | 25.4 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -55.8 | 152 | 175.7 | 24.1 | -34.2 | 0 | 0 | 0 | 111.3 | C188 | P186-C188 PolarHBondContact O-N 3.23Š|
| 187 | P | 25.8 | Very low | 25.6 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | trans | -69.5 | 101.7 | -150.7 | 26.6 | -36.2 | 0 | 0 | 0 | 113.3 | V189 | P187-V189 PolarHBondContact O-N 3.32Š|
| 188 | C | 25 | Very low | 25.7 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | | | trans | -77.3 | 111 | 154 | -68.1 | 0 | 0 | 0 | 0 | 107.8 | P186 G190 | P186-C188 PolarHBondContact O-N 3.23Å; C188-G190 PolarHBondContact O-N 3.48Å |
| 189 | V | 26.2 | Very low | 26.3 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 93% | 0.933 | 77% | 0.771 | S | S | * | * | | | trans | -71.2 | 98.7 | 175.7 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | P187 | P187-V189 PolarHBondContact O-N 3.32Š|
| 190 | G | 24.1 | Very low | 26.5 | Very low | 66 Ų | 66 | 123.7 Ų | 123.7 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | | | trans | -162.1 | 130.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | C188 | C188-G190 PolarHBondContact O-N 3.48Š|
| 191 | S | 24.4 | Very low | 26.5 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | | | trans | -67.2 | 145.4 | -178.2 | 46.1 | 0 | 0 | 0 | 0 | 112.8 | G193 | S191-G193 PolarHBondContact O-N 3.29Å; S191-G193 VanDerWaalsContact O-N 3.13Å |
| 192 | V | 28.1 | Very low | 26.8 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | | | trans | -59.8 | 111.5 | -177.7 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 193 | G | 28.4 | Very low | 26.8 | Very low | 59 Ų | 59 | 124.7 Ų | 124.7 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 134.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S191 | S191-G193 PolarHBondContact O-N 3.29Å; S191-G193 VanDerWaalsContact O-N 3.13Å |
| 194 | Q | 27.7 | Very low | 27.1 | Very low | 196 Ų | 196 | 122.5 Ų | 122.5 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 118.2 | 178.9 | -166.2 | 173.3 | 9.1 | 0 | 0 | 110.1 | | |
| 195 | A | 31.7 | Very low | 26.9 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -98 | 124.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 196 | E | 24.6 | Very low | 26.9 | Very low | 156 Ų | 156 | 121.1 Ų | 121.1 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | | | trans | -115.3 | 130 | 179.2 | -159.7 | 172.7 | -141.4 | 0 | 0 | 111.1 | I198 | E196-I198 PolarHBondContact O-N 3.24Š|
| 197 | C | 29.4 | Very low | 26.9 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -92 | 96.5 | -174.2 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 198 | I | 24.9 | Very low | 26.8 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | trans | -98.3 | 95.4 | 175.5 | -54.3 | 179.7 | 0 | 0 | 0 | 110.4 | E196 | E196-I198 PolarHBondContact O-N 3.24Š|
| 199 | G | 34.4 | Very low | 26.8 | Very low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.5 | -149.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R201 | G199-R201 VanDerWaalsContact C-N 3.28Å; G199-R201 PolarHBondContact O-N 3.16Å |
| 200 | D | 29.6 | Very low | 26.7 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -2.1 | -170.7 | -114 | -43.2 | 0 | 0 | 0 | 114.7 | K231 | D200-K231 PolarHBondContact O-NZ 3.05Å; D200-K231 IonicContact OD1-NZ 2.76Å; D200-K231 PolarHBondContact OD1-NZ 3.3Å |
| 201 | R | 24.4 | Very low | 26.6 | Very low | 206 Ų | 206 | 126.9 Ų | 126.9 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -119.7 | 129 | -179.3 | -64.2 | -176.5 | -179.5 | -175.2 | 0.3 | 110.4 | G199 | G199-R201 VanDerWaalsContact C-N 3.28Å; G199-R201 PolarHBondContact O-N 3.16Å |
| 202 | A | 30.4 | Very low | 26.7 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | trans | -79 | 124.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 203 | V | 25.7 | Very low | 26.4 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 62% | 0.624 | 77% | 0.767 | S | S | * | * | | | trans | -109.4 | 118.6 | 173.4 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | M205 | V203-M205 HydrophobicContact CG1-CG 4.46Š|
| 204 | S | 30.3 | Very low | 26.4 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -82.3 | 122.7 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 205 | M | 23.3 | Very low | 26.2 | Very low | 179 Ų | 179 | 136 Ų | 136 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | trans | -107.6 | 69.4 | 176.8 | -73.2 | -118.1 | -73.2 | 0 | 0 | 111.2 | V203 | V203-M205 HydrophobicContact CG1-CG 4.46Š|
| 206 | G | 22.3 | Very low | 25.9 | Very low | 51 Ų | 51 | 135 Ų | 135 | 53% | 0.526 | 75% | 0.754 | S | S | . | * | S | Bend | trans | 71.6 | 157.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 207 | L | 24.6 | Very low | 26 | Very low | 185 Ų | 185 | 130.8 Ų | 130.8 | 97% | 0.969 | 75% | 0.746 | S | S | * | * | | | cis | -150.7 | 128.1 | -8.7 | -114.7 | 166.1 | 0 | 0 | 0 | 106.5 | | |
| 208 | G | 23.7 | Very low | 25.9 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | | | trans | 140.9 | 100.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 209 | V | 23.8 | Very low | 25.9 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | | | trans | -91.1 | 110.5 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | E211 | V209-E211 HydrophobicContact CG1-CG 4.34Š|
| 210 | C | 24.7 | Very low | 25.4 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | | | trans | -111.3 | 112.4 | 158.7 | -71.7 | 0 | 0 | 0 | 0 | 108.2 | L212 | C210-L212 VanDerWaalsContact C-N 3.32Å; C210-L212 PolarHBondContact O-N 2.9Å |
| 211 | E | 22.6 | Very low | 25.3 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | -71.5 | 82.2 | 177.2 | -78.4 | -159.1 | 121.2 | 0 | 0 | 111.9 | V209 | V209-E211 HydrophobicContact CG1-CG 4.34Š|
| 212 | L | 25.6 | Very low | 25.2 | Very low | 133 Ų | 133 | 144 Ų | 144 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | -91.3 | 101 | 161.9 | -84.5 | 161.1 | 0 | 0 | 0 | 109 | C210 P214 | C210-L212 VanDerWaalsContact C-N 3.32Å; C210-L212 PolarHBondContact O-N 2.9Å; L212-P214 WeakPolarHBondContact O-CD 3.45Å; L212-P214 VanDerWaalsContact O-N 3.13Å |
| 213 | R | 22.5 | Very low | 24.8 | Very low | 239 Ų | 239 | 145.6 Ų | 145.6 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | trans | -59.8 | 110.5 | 173.8 | -73.9 | -173.3 | 177 | -171.7 | 0.5 | 110.1 | | |
| 214 | P | 28.4 | Very low | 24.7 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 60% | 0.597 | 77% | 0.771 | S | S | * | * | | | trans | -93.9 | 122.2 | -171.4 | 34 | -27.7 | 0 | 0 | 0 | 111.2 | L212 C216 | L212-P214 WeakPolarHBondContact O-CD 3.45Å; L212-P214 VanDerWaalsContact O-N 3.13Å; P214-C216 PolarHBondContact O-N 3.06Å |
| 215 | R | 23.1 | Very low | 24.5 | Very low | 252 Ų | 252 | 145 Ų | 145 | 95% | 0.951 | 77% | 0.773 | S | S | * | * | | | trans | -90.6 | 81.2 | 156.9 | -80.7 | -170.1 | 171.2 | -171.4 | -0.9 | 109.1 | A217 | R215-A217 PolarHBondContact O-N 3.33Š|
| 216 | C | 26.5 | Very low | 24.5 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 51% | 0.514 | 77% | 0.767 | S | S | . | * | | | trans | -66.8 | 112.1 | 176.6 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | P214 | P214-C216 PolarHBondContact O-N 3.06Š|
| 217 | A | 25.7 | Very low | 24.6 | Very low | 68 Ų | 68 | 152.6 Ų | 152.6 | 56% | 0.562 | 78% | 0.78 | S | S | * | * | | | trans | -86.8 | 108 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R215 W219 | R215-A217 PolarHBondContact O-N 3.33Å; A217-W219 PolarHBondContact O-N 3.41Å |
| 218 | V | 27.6 | Very low | 24.5 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | | | trans | -81.2 | 100.9 | -178.9 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | R220 | V218-R220 HydrophobicContact CG1-CG 4.45Å; V218-R220 PolarHBondContact O-N 3.2Å |
| 219 | W | 24.2 | Very low | 24.5 | Very low | 223 Ų | 223 | 148 Ų | 148 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | -84 | 95.6 | 173.7 | -73.2 | 80.3 | 0 | 0 | 0 | 111.2 | A217 R221 | A217-W219 PolarHBondContact O-N 3.41Å; W219-R221 PolarHBondContact O-N 3.43Å |
| 220 | R | 25.3 | Very low | 24.6 | Very low | 229 Ų | 229 | 149.1 Ų | 149.1 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | trans | -79.1 | 93.8 | 167.2 | -80.9 | -172.5 | 176 | -178.2 | 0.8 | 110.6 | V218 | V218-R220 HydrophobicContact CG1-CG 4.45Å; V218-R220 PolarHBondContact O-N 3.2Å |
| 221 | R | 25.7 | Very low | 24.7 | Very low | 238 Ų | 238 | 151.4 Ų | 151.4 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | | | trans | -80.5 | 115.8 | 158.1 | -105 | -176.7 | 176.4 | 172.4 | -1 | 109.2 | W219 | W219-R221 PolarHBondContact O-N 3.43Š|
| 222 | V | 22.2 | Very low | 24.9 | Very low | 131 Ų | 131 | 148 Ų | 148 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | | | trans | -90.6 | 100.5 | 171 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | S224 | V222-S224 PolarHBondContact O-N 2.63Š|
| 223 | L | 23.9 | Very low | 25 | Very low | 134 Ų | 134 | 146.5 Ų | 146.5 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | | | trans | -71.5 | 116.8 | 164.6 | -72.5 | 168.6 | 0 | 0 | 0 | 108.2 | G225 | L223-G225 PolarHBondContact O-N 3.32Š|
| 224 | S | 23.3 | Very low | 25.2 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 121.5 | 175.7 | 43.3 | 0 | 0 | 0 | 0 | 110.1 | V222 | V222-S224 PolarHBondContact O-N 2.63Š|
| 225 | G | 24.5 | Very low | 25.1 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.5 | -43.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L223 | L223-G225 PolarHBondContact O-N 3.32Š|
| 226 | K | 24.6 | Very low | 25.2 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -141.7 | 128.2 | 178.2 | -70.3 | -177.3 | -178.7 | 170.6 | 0 | 111.7 | C228 | K226-C228 VanDerWaalsContact C-N 3.3Å; K226-C228 PolarHBondContact O-N 2.96Å |
| 227 | R | 24.1 | Very low | 25 | Very low | 213 Ų | 213 | 138.7 Ų | 138.7 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | -73.5 | 76.4 | 178.9 | -70.4 | -175.7 | 176.9 | -162.9 | -3.2 | 112.1 | G229 | R227-G229 PolarHBondContact O-N 3.38Š|
| 228 | C | 22.3 | Very low | 24.8 | Very low | 82 Ų | 82 | 146.7 Ų | 146.7 | 55% | 0.554 | 76% | 0.755 | S | S | * | * | | | trans | -90.6 | 93 | 160.7 | -62.6 | 0 | 0 | 0 | 0 | 108.3 | K226 F230 | K226-C228 VanDerWaalsContact C-N 3.3Å; K226-C228 PolarHBondContact O-N 2.96Å; C228-F230 VanDerWaalsContact C-N 3.31Å; C228-F230 HydrophobicContact CB-CD2 3.92Å; C228-F230 HydrophobicContact CB-CE2 3.36Å; C228-F230 HydrophobicContact CB-CZ 3.89Å; C228-F230 WeakPolarHBondContact O-CD2 3.45Å; C228-F230 PolarHBondContact O-N 3.35Å |
| 229 | G | 24.3 | Very low | 24.5 | Very low | 77 Ų | 77 | 147.7 Ų | 147.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | -75.7 | 76.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | R227 K231 | R227-G229 PolarHBondContact O-N 3.38Å; G229-K231 PolarHBondContact O-N 3.32Å |
| 230 | F | 25.9 | Very low | 24.4 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -77.3 | 108.5 | 173.3 | -61.4 | -71.1 | 0 | 0 | 0 | 110.4 | C228 V232 | C228-F230 VanDerWaalsContact C-N 3.31Å; C228-F230 HydrophobicContact CB-CD2 3.92Å; C228-F230 HydrophobicContact CB-CE2 3.36Å; C228-F230 HydrophobicContact CB-CZ 3.89Å; C228-F230 WeakPolarHBondContact O-CD2 3.45Å; C228-F230 PolarHBondContact O-N 3.35Å; F230-V232 HydrophobicContact CB-CG2 4.45Å; F230-V232 PolarHBondContact O-N 3.48Å |
| 231 | K | 27.1 | Very low | 24.3 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 64% | 0.635 | 78% | 0.78 | S | S | * | * | | | trans | -84.3 | 89.4 | 165.6 | -71.6 | 178.5 | -173.5 | 165.4 | 0 | 108.5 | D200 G229 C233 | D200-K231 PolarHBondContact O-NZ 3.05Å; D200-K231 IonicContact OD1-NZ 2.76Å; D200-K231 PolarHBondContact OD1-NZ 3.3Å; G229-K231 PolarHBondContact O-N 3.32Å; K231-C233 PolarHBondContact O-N 2.88Å |
| 232 | V | 27.1 | Very low | 24.3 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | | | trans | -81.9 | 112.2 | 169.7 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | F230 V234 | F230-V232 HydrophobicContact CB-CG2 4.45Å; F230-V232 PolarHBondContact O-N 3.48Å; V232-V234 HydrophobicContact CG1-CG2 3.91Å |
| 233 | C | 26.2 | Very low | 24.4 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | | | trans | -91.7 | 109.6 | 170.5 | -71.6 | 0 | 0 | 0 | 0 | 108.9 | K231 | K231-C233 PolarHBondContact O-N 2.88Š|
| 234 | V | 27.4 | Very low | 24.4 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | | | trans | -100.5 | 109.5 | 171.9 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | V232 R236 | V232-V234 HydrophobicContact CG1-CG2 3.91Å; V234-R236 PolarHBondContact O-N 3.33Å |
| 235 | C | 25.5 | Very low | 24.5 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | | | trans | -85.7 | 106 | 174.9 | -70.1 | 0 | 0 | 0 | 0 | 109.9 | G237 | C235-G237 PolarHBondContact O-N 3.14Š|
| 236 | R | 25 | Very low | 24.5 | Very low | 225 Ų | 225 | 142.5 Ų | 142.5 | 85% | 0.849 | 77% | 0.768 | S | S | * | * | | | trans | -87.1 | 101.1 | 167.9 | -93.2 | -177.9 | 159 | 157.8 | -5.2 | 110.1 | V234 | V234-R236 PolarHBondContact O-N 3.33Š|
| 237 | G | 23.3 | Very low | 24.5 | Very low | 61 Ų | 61 | 140.1 Ų | 140.1 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | trans | -75.5 | 143.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | C235 | C235-G237 PolarHBondContact O-N 3.14Š|
| 238 | W | 20.5 | Very low | 24.5 | Very low | 236 Ų | 236 | 134.5 Ų | 134.5 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | | | trans | -109.3 | 138 | 162.4 | -75.5 | 57.7 | 0 | 0 | 0 | 106.9 | | |
| 239 | V | 21.7 | Very low | 24.7 | Very low | 145 Ų | 145 | 138.9 Ų | 138.9 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -100.8 | 134.4 | 169.5 | -172.4 | 0 | 0 | 0 | 0 | 106.9 | | |
| 240 | C | 22 | Very low | 24.7 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 100% | 1.318 | 78% | 0.782 | S | S | * | * | | | trans | -83.7 | 0 | 177.7 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | | |