| 1 | M | 51.3 | Low | 70.7 | Confident | 197 Ų | 197 | 109.4 Ų | 109.4 | 97% | 0.97 | 54% | 0.543 | S | S | * | . | | | | 0 | 125 | 0 | -171.5 | 166.2 | 167.4 | 0 | 0 | 107.3 | V3 L5 | M1-V3 PolarHBondContact O-N 2.95Å; M1-L5 HydrophobicContact CE-CD2 4.5Å |
| 2 | N | 56.2 | Low | 70.8 | Confident | 110 Ų | 110 | 107.7 Ų | 107.7 | 59% | 0.588 | 54% | 0.543 | S | S | * | . | | | trans | -66.8 | 119.6 | -158.6 | -159.1 | 21.6 | 0 | 0 | 0 | 111 | M4 L5 | N2-M4 PolarHBondContact O-N 2.94Å; N2-L5 HydrophobicContact CB-CB 4.44Å; N2-L5 WeakPolarHBondContact O-CB 3.35Å; N2-L5 PolarHBondContact O-N 2.89Å |
| 3 | V | 68.8 | Low | 70.6 | Confident | 106 Ų | 106 | 113.5 Ų | 113.5 | 64% | 0.642 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -49.4 | -32 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | M1 L5 E6 N7 | M1-V3 PolarHBondContact O-N 2.95Å; V3-L5 PolarHBondContact O-N 3.19Å; V3-E6 PolarHBondContact O-N 3.24Å; V3-N7 WeakPolarHBondContact O-CB 3.46Å; V3-N7 PolarHBondContact O-N 3Å; V3-N7 VanDerWaalsContact O-N 3.09Å; V3-N7 PolarHBondContact O-ND2 2.87Å |
| 4 | M | 75.3 | Confident | 70.7 | Confident | 128 Ų | 128 | 114.1 Ų | 114.1 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.6 | -36.5 | 175.8 | -59.3 | -61.8 | -70.3 | 0 | 0 | 114.2 | N2 Y8 | N2-M4 PolarHBondContact O-N 2.94Å; M4-Y8 WeakPolarHBondContact O-CB 3.07Å; M4-Y8 PolarHBondContact O-N 2.82Å |
| 5 | L | 72.5 | Confident | 69.8 | Low | 81 Ų | 81 | 110.6 Ų | 110.6 | 42% | 0.424 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.6 | -38.6 | -177.4 | -172.3 | 67.7 | 0 | 0 | 0 | 111.1 | M1 N2 V3 N7 Y8 K9 | M1-L5 HydrophobicContact CE-CD2 4.5Å; N2-L5 HydrophobicContact CB-CB 4.44Å; N2-L5 WeakPolarHBondContact O-CB 3.35Å; N2-L5 PolarHBondContact O-N 2.89Å; V3-L5 PolarHBondContact O-N 3.19Å; L5-N7 VanDerWaalsContact C-N 3.34Å; L5-Y8 PolarHBondContact O-N 3.03Å; L5-K9 WeakPolarHBondContact O-CG 3.34Å; L5-K9 PolarHBondContact O-N 2.95Å |
| 6 | E | 78.2 | Confident | 69.2 | Low | 96 Ų | 96 | 109.5 Ų | 109.5 | 45% | 0.449 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.6 | -42.4 | 175 | -158.9 | 63.6 | -160 | 0 | 0 | 110.4 | V3 Y8 K9 N10 | V3-E6 PolarHBondContact O-N 3.24Å; E6-Y8 PolarHBondContact O-N 3Å; E6-K9 PolarHBondContact O-N 2.92Å; E6-N10 WeakPolarHBondContact O-CB 3.39Å; E6-N10 PolarHBondContact O-N 2.99Å; E6-N10 PolarHBondContact O-ND2 3.29Å; E6-N10 VanDerWaalsContact O-ND2 3.14Å |
| 7 | N | 72.4 | Confident | 68.5 | Low | 81 Ų | 81 | 108.2 Ų | 108.2 | 43% | 0.433 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.2 | -41.5 | 175 | -70.5 | -9.4 | 0 | 0 | 0 | 112.4 | V3 L5 N10 L11 | V3-N7 WeakPolarHBondContact O-CB 3.46Å; V3-N7 PolarHBondContact O-N 3Å; V3-N7 VanDerWaalsContact O-N 3.09Å; V3-N7 PolarHBondContact O-ND2 2.87Å; L5-N7 VanDerWaalsContact C-N 3.34Å; N7-N10 PolarHBondContact O-N 3.42Å; N7-L11 WeakPolarHBondContact O-CG 3.46Å; N7-L11 PolarHBondContact O-N 3.39Å |
| 8 | Y | 76.3 | Confident | 67.8 | Low | 150 Ų | 150 | 108.2 Ų | 108.2 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64 | -44.3 | 177 | -175 | -98.4 | 0 | 0 | 0 | 111.9 | M4 L5 E6 N10 L11 V12 | M4-Y8 WeakPolarHBondContact O-CB 3.07Å; M4-Y8 PolarHBondContact O-N 2.82Å; L5-Y8 PolarHBondContact O-N 3.03Å; E6-Y8 PolarHBondContact O-N 3Å; Y8-N10 VanDerWaalsContact C-N 3.31Å; Y8-N10 PolarHBondContact O-N 3.48Å; Y8-L11 PolarHBondContact O-N 3.48Å; Y8-V12 HydrophobicContact CD1-CG2 4.12Å; Y8-V12 HydrophobicContact CE1-CG2 3.76Å; Y8-V12 WeakPolarHBondContact O-CG2 3.43Å; Y8-V12 PolarHBondContact O-N 2.85Å |
| 9 | K | 76.7 | Confident | 67 | Low | 105 Ų | 105 | 107 Ų | 107 | 46% | 0.457 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.2 | -40.1 | 175.1 | -73.5 | 176.8 | 179 | -179.1 | 0 | 112.1 | L5 E6 V12 F13 | L5-K9 WeakPolarHBondContact O-CG 3.34Å; L5-K9 PolarHBondContact O-N 2.95Å; E6-K9 PolarHBondContact O-N 2.92Å; K9-V12 PolarHBondContact O-N 2.81Å; K9-F13 VanDerWaalsContact O-CB 3.29Å; K9-F13 WeakPolarHBondContact O-CB 3.35Å; K9-F13 PolarHBondContact O-N 2.99Å |
| 10 | N | 76.1 | Confident | 66.6 | Low | 75 Ų | 75 | 112.2 Ų | 112.2 | 40% | 0.401 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.9 | -40.2 | 177 | -70.1 | -26.1 | 0 | 0 | 0 | 112 | E6 N7 Y8 F13 L14 | E6-N10 WeakPolarHBondContact O-CB 3.39Å; E6-N10 PolarHBondContact O-N 2.99Å; E6-N10 PolarHBondContact O-ND2 3.29Å; E6-N10 VanDerWaalsContact O-ND2 3.14Å; N7-N10 PolarHBondContact O-N 3.42Å; Y8-N10 VanDerWaalsContact C-N 3.31Å; Y8-N10 PolarHBondContact O-N 3.48Å; N10-F13 PolarHBondContact O-N 2.77Å; N10-L14 WeakPolarHBondContact O-CB 3.04Å; N10-L14 WeakPolarHBondContact O-CD1 3.29Å; N10-L14 WeakPolarHBondContact O-CG 3.31Å; N10-L14 PolarHBondContact O-N 2.82Å |
| 11 | L | 74.1 | Confident | 65.7 | Low | 74 Ų | 74 | 113.3 Ų | 113.3 | 39% | 0.387 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.7 | -42 | 176.2 | -68.6 | 172.4 | 0 | 0 | 0 | 112.3 | N7 Y8 L14 G15 I16 | N7-L11 WeakPolarHBondContact O-CG 3.46Å; N7-L11 PolarHBondContact O-N 3.39Å; Y8-L11 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 3.45Å; L11-G15 PolarHBondContact O-N 3.17Å; L11-I16 HydrophobicContact CD2-CD1 3.93Å; L11-I16 PolarHBondContact O-N 2.94Å; L11-I16 VanDerWaalsContact O-N 3.17Å |
| 12 | V | 71.3 | Confident | 65.7 | Low | 89 Ų | 89 | 109.2 Ų | 109.2 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.7 | -42.1 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 111 | Y8 K9 L14 G15 | Y8-V12 HydrophobicContact CD1-CG2 4.12Å; Y8-V12 HydrophobicContact CE1-CG2 3.76Å; Y8-V12 WeakPolarHBondContact O-CG2 3.43Å; Y8-V12 PolarHBondContact O-N 2.85Å; K9-V12 PolarHBondContact O-N 2.81Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.29Å; V12-G15 PolarHBondContact O-N 2.84Å; V12-G15 VanDerWaalsContact O-N 3.14Å |
| 13 | F | 68.5 | Low | 65.6 | Low | 183 Ų | 183 | 108.6 Ų | 108.6 | 80% | 0.803 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.3 | -33.7 | 177.4 | -175.6 | -99.5 | 0 | 0 | 0 | 112.9 | K9 N10 G15 | K9-F13 VanDerWaalsContact O-CB 3.29Å; K9-F13 WeakPolarHBondContact O-CB 3.35Å; K9-F13 PolarHBondContact O-N 2.99Å; N10-F13 PolarHBondContact O-N 2.77Å; F13-G15 PolarHBondContact O-N 2.77Å |
| 14 | L | 71.6 | Confident | 64.9 | Low | 123 Ų | 123 | 109.1 Ų | 109.1 | 64% | 0.644 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 1.3 | 174.5 | -71.1 | 169.7 | 0 | 0 | 0 | 113.5 | N10 L11 V12 I16 | N10-L14 WeakPolarHBondContact O-CB 3.04Å; N10-L14 WeakPolarHBondContact O-CD1 3.29Å; N10-L14 WeakPolarHBondContact O-CG 3.31Å; N10-L14 PolarHBondContact O-N 2.82Å; L11-L14 PolarHBondContact O-N 3.45Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.29Å; L14-I16 HydrophobicContact CB-CD1 4.19Å; L14-I16 HydrophobicContact CB-CG1 4.11Å; L14-I16 HydrophobicContact CD1-CD1 4.49Å; L14-I16 PolarHBondContact O-N 2.86Å |
| 15 | G | 57.7 | Low | 63.9 | Low | 61 Ų | 61 | 106.1 Ų | 106.1 | 63% | 0.629 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.5 | 14 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L11 V12 F13 A17 | L11-G15 PolarHBondContact O-N 3.17Å; V12-G15 PolarHBondContact O-N 2.84Å; V12-G15 VanDerWaalsContact O-N 3.14Å; F13-G15 PolarHBondContact O-N 2.77Å; G15-A17 PolarHBondContact O-N 2.91Å |
| 16 | I | 60 | Low | 63.1 | Low | 93 Ų | 93 | 105.6 Ų | 105.6 | 48% | 0.477 | 57% | 0.574 | S | S | . | * | | | trans | -77.2 | 78.5 | 172.1 | -54.4 | 174.2 | 0 | 0 | 0 | 105.9 | L11 L14 V18 | L11-I16 HydrophobicContact CD2-CD1 3.93Å; L11-I16 PolarHBondContact O-N 2.94Å; L11-I16 VanDerWaalsContact O-N 3.17Å; L14-I16 HydrophobicContact CB-CD1 4.19Å; L14-I16 HydrophobicContact CB-CG1 4.11Å; L14-I16 HydrophobicContact CD1-CD1 4.49Å; L14-I16 PolarHBondContact O-N 2.86Å; I16-V18 PolarHBondContact O-N 3.07Å |
| 17 | A | 57.4 | Low | 62 | Low | 87 Ų | 87 | 107.4 Ų | 107.4 | 72% | 0.719 | 59% | 0.586 | S | S | * | * | | | trans | -61.2 | 107.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | G15 S19 | G15-A17 PolarHBondContact O-N 2.91Å; A17-S19 PolarHBondContact O-N 3.39Å |
| 18 | V | 56.2 | Low | 61.2 | Low | 108 Ų | 108 | 110 Ų | 110 | 66% | 0.655 | 60% | 0.595 | S | S | * | * | | | trans | -62.3 | 93.2 | 165.9 | -178.9 | 0 | 0 | 0 | 0 | 104.7 | I16 K20 | I16-V18 PolarHBondContact O-N 3.07Å; V18-K20 PolarHBondContact O-N 3.35Å; V18-K20 VanDerWaalsContact O-N 3.08Å |
| 19 | S | 52.2 | Low | 59.9 | Low | 86 Ų | 86 | 111.1 Ų | 111.1 | 60% | 0.601 | 61% | 0.606 | S | S | * | * | | | trans | -52.9 | 120.1 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 106.8 | A17 Q21 | A17-S19 PolarHBondContact O-N 3.39Å; S19-Q21 PolarHBondContact O-N 3.5Å |
| 20 | K | 58.4 | Low | 58.5 | Low | 211 Ų | 211 | 113.5 Ų | 113.5 | 92% | 0.917 | 62% | 0.619 | S | S | * | * | | | trans | -74.5 | 49 | 172.3 | -66.3 | -177.6 | 176.5 | 179.8 | 0 | 109.8 | V18 | V18-K20 PolarHBondContact O-N 3.35Å; V18-K20 VanDerWaalsContact O-N 3.08Å |
| 21 | Q | 48.5 | Very low | 57.4 | Low | 136 Ų | 136 | 118.6 Ų | 118.6 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | | | trans | -93 | 115.3 | 166.6 | -160.4 | 89.5 | 22.3 | 0 | 0 | 105 | S19 P23 | S19-Q21 PolarHBondContact O-N 3.5Å; Q21-P23 WeakPolarHBondContact O-CD 3.34Å |
| 22 | D | 52.3 | Low | 56.4 | Low | 110 Ų | 110 | 123 Ų | 123 | 59% | 0.588 | 66% | 0.656 | S | S | * | * | | | trans | -51.1 | 116.8 | 178.8 | -76.9 | -50.1 | 0 | 0 | 0 | 109.2 | I24 T25 | D22-I24 PolarHBondContact O-N 3.42Å; D22-T25 HydrophobicContact CB-CG2 4.29Å; D22-T25 PolarHBondContact O-N 3.49Å; D22-T25 PolarHBondContact O-OG1 2.76Å |
| 23 | P | 52.6 | Low | 55.2 | Low | 97 Ų | 97 | 123.1 Ų | 123.1 | 63% | 0.63 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.4 | -14.8 | -174.4 | 21.4 | -31.7 | 0 | 0 | 0 | 112.8 | Q21 S26 | Q21-P23 WeakPolarHBondContact O-CD 3.34Å; P23-S26 PolarHBondContact O-OG 3.08Å; P23-S26 VanDerWaalsContact O-OG 3.07Å |
| 24 | I | 54.2 | Low | 54.3 | Low | 118 Ų | 118 | 125.8 Ų | 125.8 | 61% | 0.605 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.9 | -39 | 176.2 | -55.2 | 173.3 | 0 | 0 | 0 | 110.9 | D22 L27 E28 | D22-I24 PolarHBondContact O-N 3.42Å; I24-L27 PolarHBondContact O-N 3.27Å; I24-E28 PolarHBondContact O-N 3.03Å |
| 25 | T | 55.7 | Low | 53.1 | Low | 64 Ų | 64 | 127.1 Ų | 127.1 | 39% | 0.393 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -72.3 | -35.2 | -175 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | D22 L27 Q29 | D22-T25 HydrophobicContact CB-CG2 4.29Å; D22-T25 PolarHBondContact O-N 3.49Å; D22-T25 PolarHBondContact O-OG1 2.76Å; T25-L27 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 3.38Å; T25-Q29 PolarHBondContact O-N 2.85Å |
| 26 | S | 55.6 | Low | 52.3 | Low | 71 Ų | 71 | 132.4 Ų | 132.4 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -69.4 | -26.7 | 174.7 | 46 | 0 | 0 | 0 | 0 | 112.8 | P23 | P23-S26 PolarHBondContact O-OG 3.08Å; P23-S26 VanDerWaalsContact O-OG 3.07Å |
| 27 | L | 53.9 | Low | 51.8 | Low | 134 Ų | 134 | 136.9 Ų | 136.9 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -81.1 | -35.9 | -179.5 | -140.5 | 101.6 | 0 | 0 | 0 | 112 | I24 T25 Q29 | I24-L27 PolarHBondContact O-N 3.27Å; T25-L27 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 3.38Å; L27-Q29 VanDerWaalsContact C-N 3.29Å; L27-Q29 PolarHBondContact O-N 3.39Å |
| 28 | E | 56.5 | Low | 50.9 | Low | 134 Ų | 134 | 140.4 Ų | 140.4 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -68.9 | -28.3 | 175.4 | -79.5 | -172.6 | 141.9 | 0 | 0 | 112.7 | I24 E30 K31 | I24-E28 PolarHBondContact O-N 3.03Å; E28-E30 VanDerWaalsContact C-N 3.27Å; E28-E30 PolarHBondContact O-N 3.38Å; E28-K31 PolarHBondContact O-N 3.09Å |
| 29 | Q | 49.4 | Very low | 50 | Low | 174 Ų | 174 | 140.4 Ų | 140.4 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -10.8 | -177.9 | -149.2 | 169.7 | 9.4 | 0 | 0 | 113.7 | T25 L27 K31 | T25-Q29 PolarHBondContact O-N 2.85Å; L27-Q29 VanDerWaalsContact C-N 3.29Å; L27-Q29 PolarHBondContact O-N 3.39Å; Q29-K31 VanDerWaalsContact C-N 3.26Å; Q29-K31 PolarHBondContact O-N 3.46Å |
| 30 | E | 47.2 | Very low | 49.7 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 13.1 | 169.7 | -84.5 | -170.2 | 158.5 | 0 | 0 | 113.5 | E28 E32 | E28-E30 VanDerWaalsContact C-N 3.27Å; E28-E30 PolarHBondContact O-N 3.38Å; E30-E32 PolarHBondContact O-N 3.22Å |
| 31 | K | 53.2 | Low | 48.3 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 79% | 0.787 | 72% | 0.716 | S | S | * | * | | | trans | -72 | 71.1 | 165.4 | -84.8 | -167.5 | 173.4 | -179.9 | 0 | 111.3 | E28 Q29 | E28-K31 PolarHBondContact O-N 3.09Å; Q29-K31 VanDerWaalsContact C-N 3.26Å; Q29-K31 PolarHBondContact O-N 3.46Å |
| 32 | E | 51.6 | Low | 48 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | | | | -171.9 | 100.5 | 129.5 | -107.2 | -171.7 | -166.7 | 0 | 0 | 109.2 | E30 | E30-E32 PolarHBondContact O-N 3.22Š|
| 33 | P | 46.3 | Very low | 47.2 | Very low | 91 Ų | 91 | 144.8 Ų | 144.8 | 59% | 0.591 | 73% | 0.732 | S | S | * | * | | | trans | -105.6 | 133.6 | 173.8 | 42.1 | -32.3 | 0 | 0 | 0 | 108.9 | | |
| 34 | W | 49.1 | Very low | 46.9 | Very low | 238 Ų | 238 | 148.9 Ų | 148.9 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | | | trans | 89.8 | 24.9 | 158.5 | -39.5 | 100.2 | 0 | 0 | 0 | 121.8 | M36 | W34-M36 PolarHBondContact O-N 2.87Š|
| 35 | N | 47.9 | Very low | 45.8 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | trans | -79 | 40.1 | 164.1 | -85.8 | -40.3 | 0 | 0 | 0 | 113.5 | K37 | N35-K37 PolarHBondContact O-N 2.97Š|
| 36 | M | 40 | Very low | 45.3 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | trans | -86.7 | 94.7 | 171 | -158.7 | 167.8 | 178.6 | 0 | 0 | 107.8 | W34 I38 | W34-M36 PolarHBondContact O-N 2.87Å; M36-I38 PolarHBondContact O-N 3.12Å |
| 37 | K | 49 | Very low | 44.6 | Very low | 188 Ų | 188 | 152.2 Ų | 152.2 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | | | trans | -45.9 | 102.9 | 171.4 | -166.8 | 179.2 | -173.1 | -176.4 | 0 | 108.5 | N35 C39 | N35-K37 PolarHBondContact O-N 2.97Å; K37-C39 PolarHBondContact O-N 2.92Å |
| 38 | I | 40 | Very low | 43.5 | Very low | 160 Ų | 160 | 154.4 Ų | 154.4 | 82% | 0.821 | 79% | 0.791 | S | S | * | * | | | trans | -57.3 | 107.8 | 173.4 | -63.8 | 172.9 | 0 | 0 | 0 | 104.9 | M36 E40 | M36-I38 PolarHBondContact O-N 3.12Å; I38-E40 PolarHBondContact O-N 3.43Å |
| 39 | C | 36.5 | Very low | 42.4 | Very low | 109 Ų | 109 | 154.3 Ų | 154.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -66.2 | 104.4 | 175.1 | -71 | 0 | 0 | 0 | 0 | 106.3 | K37 M41 | K37-C39 PolarHBondContact O-N 2.92Å; C39-M41 PolarHBondContact O-N 3.46Å |
| 40 | E | 45.1 | Very low | 41.7 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | trans | -44.6 | 100.1 | 158.6 | -175.9 | 177.3 | -162 | 0 | 0 | 108.1 | I38 | I38-E40 PolarHBondContact O-N 3.43Š|
| 41 | M | 30.3 | Very low | 41.3 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -126.1 | 94.3 | 166.4 | -155.6 | 130.2 | 179.9 | 0 | 0 | 106.5 | C39 D43 | C39-M41 PolarHBondContact O-N 3.46Å; M41-D43 PolarHBondContact O-N 2.98Å |
| 42 | V | 41.8 | Very low | 40.4 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | | | trans | -48.8 | 111.4 | 161.8 | 174.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 43 | D | 35.8 | Very low | 39.6 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | -155.4 | 134.5 | 134.2 | -152 | -0.3 | 0 | 0 | 0 | 109.3 | M41 | M41-D43 PolarHBondContact O-N 2.98Š|
| 44 | E | 45.1 | Very low | 39.5 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | trans | -68.6 | 132 | -161.4 | -66.7 | 175.3 | 139 | 0 | 0 | 113.4 | | |
| 45 | S | 32.6 | Very low | 39.1 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | -141.1 | 116.9 | 153.2 | 178 | 0 | 0 | 0 | 0 | 108.9 | | |
| 46 | P | 44.6 | Very low | 38.6 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -86.1 | 143.7 | -168.9 | 32.9 | -32.3 | 0 | 0 | 0 | 112.9 | | |
| 47 | A | 40.3 | Very low | 38.3 | Very low | 92 Ų | 92 | 151.3 Ų | 151.3 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | 65.4 | 115.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 48 | M | 31.9 | Very low | 37.7 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | cis | -152.5 | 104.3 | 48 | -76.1 | -86.7 | -80.2 | 0 | 0 | 109.2 | | |
| 49 | C | 32.3 | Very low | 37.8 | Very low | 132 Ų | 132 | 148 Ų | 148 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | | | trans | -98 | 94.6 | 162.6 | -131.5 | 0 | 0 | 0 | 0 | 106.2 | S51 | C49-S51 PolarHBondContact O-N 3.5Š|
| 50 | S | 34.3 | Very low | 38.4 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | | | trans | -67.9 | 106.1 | 162.8 | 60.5 | 0 | 0 | 0 | 0 | 106.1 | F52 | S50-F52 PolarHBondContact O-N 3.38Š|
| 51 | S | 39.5 | Very low | 38.4 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -27.9 | 102.4 | 170.4 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | C49 T53 | C49-S51 PolarHBondContact O-N 3.5Å; S51-T53 PolarHBondContact O-N 3.3Å |
| 52 | F | 35.3 | Very low | 39.2 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | -68.9 | 94 | 158.4 | -92 | -88.2 | 0 | 0 | 0 | 105.7 | S50 R54 | S50-F52 PolarHBondContact O-N 3.38Å; F52-R54 PolarHBondContact O-N 3.3Å |
| 53 | T | 34.9 | Very low | 39.4 | Very low | 108 Ų | 108 | 148 Ų | 148 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | | | trans | -50.5 | 110.4 | 170.9 | -17.3 | 0 | 0 | 0 | 0 | 107 | S51 D55 | S51-T53 PolarHBondContact O-N 3.3Å; T53-D55 PolarHBondContact O-N 3.28Å |
| 54 | R | 44.1 | Very low | 39.9 | Very low | 241 Ų | 241 | 145.9 Ų | 145.9 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -80.4 | 64.9 | 176.8 | -169.5 | -170.5 | -166.3 | 174.6 | 4.9 | 107.8 | F52 | F52-R54 PolarHBondContact O-N 3.3Š|
| 55 | D | 39.6 | Very low | 40.3 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 65% | 0.647 | 75% | 0.747 | S | S | * | * | | | trans | -141.6 | 116.7 | -178.7 | -69 | -50.5 | 0 | 0 | 0 | 110.4 | T53 | T53-D55 PolarHBondContact O-N 3.28Š|
| 56 | L | 36.9 | Very low | 41 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 86% | 0.859 | 74% | 0.738 | S | S | * | * | | | trans | 79.4 | 96.5 | 156.9 | -49.6 | 171.5 | 0 | 0 | 0 | 116.5 | P58 | L56-P58 WeakPolarHBondContact O-CD 3.47Š|
| 57 | W | 34.9 | Very low | 41.1 | Very low | 238 Ų | 238 | 142.4 Ų | 142.4 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | | | trans | -67.6 | 122.3 | 156.4 | -151.1 | -50.2 | 0 | 0 | 0 | 108.9 | | |
| 58 | P | 36.4 | Very low | 41.3 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | | | trans | -98.8 | 109.1 | 156.4 | 22.9 | -5.5 | 0 | 0 | 0 | 107.4 | L56 Q60 | L56-P58 WeakPolarHBondContact O-CD 3.47Å; P58-Q60 PolarHBondContact O-N 3.37Å |
| 59 | E | 42.4 | Very low | 41.9 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 81% | 0.808 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 25.4 | -173.7 | -151.9 | 174.9 | 179.9 | 0 | 0 | 114.4 | | |
| 60 | Q | 48.8 | Very low | 42.7 | Very low | 180 Ų | 180 | 139.8 Ų | 139.8 | 84% | 0.841 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.5 | 13 | -166.1 | -146.1 | 71.4 | 65.1 | 0 | 0 | 117.7 | P58 | P58-Q60 PolarHBondContact O-N 3.37Š|
| 61 | D | 45.3 | Very low | 43 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 57% | 0.567 | 70% | 0.699 | S | S | * | * | | | trans | -124.2 | 18.8 | -173.2 | -159.9 | 23.6 | 0 | 0 | 0 | 116.4 | K63 | D61-K63 VanDerWaalsContact C-N 3.33Š|
| 62 | I | 47.2 | Very low | 43.1 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -80 | -19.7 | 176.5 | -58.6 | 177.6 | 0 | 0 | 0 | 111.2 | F66 | I62-F66 HydrophobicContact CG2-CE2 4.23Å; I62-F66 WeakPolarHBondContact O-CD2 3.41Å |
| 63 | K | 45.2 | Very low | 43.5 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -82 | -34.6 | -173.3 | -161.1 | 173.9 | -179.8 | -174.3 | 0 | 113.9 | D61 | D61-K63 VanDerWaalsContact C-N 3.33Å |
| 64 | D | 47.3 | Very low | 44.1 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 57% | 0.567 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -83.5 | -28.2 | -175 | -76.5 | 2.1 | 0 | 0 | 0 | 112.5 | F66 Q67 Q68 | D64-F66 PolarHBondContact O-N 3.17Å; D64-Q67 PolarHBondContact O-N 3.24Å; D64-Q68 PolarHBondContact O-N 3.47Å; D64-Q68 VanDerWaalsContact O-N 3.09Å |
| 65 | S | 52.2 | Low | 44 | Very low | 67 Ų | 67 | 142.6 Ų | 142.6 | 47% | 0.469 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -58.7 | -41.1 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 113.2 | Q68 V69 | S65-Q68 PolarHBondContact O-N 3.23Å; S65-V69 WeakPolarHBondContact O-CG2 3.34Å; S65-V69 PolarHBondContact O-N 3.48Å |
| 66 | F | 48 | Very low | 44.6 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 61% | 0.605 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -69.6 | -36.6 | 179.5 | -81.5 | -79.8 | 0 | 0 | 0 | 112.9 | I62 D64 Q68 I70 | I62-F66 HydrophobicContact CG2-CE2 4.23Å; I62-F66 WeakPolarHBondContact O-CD2 3.41Å; D64-F66 PolarHBondContact O-N 3.17Å; F66-Q68 VanDerWaalsContact C-N 3.33Å; F66-I70 VanDerWaalsContact O-CG1 3.31Å; F66-I70 WeakPolarHBondContact O-CG1 3.44Å; F66-I70 PolarHBondContact O-N 3.14Å; F66-I70 VanDerWaalsContact O-N 3.12Å |
| 67 | Q | 46.3 | Very low | 45 | Very low | 137 Ų | 137 | 143.9 Ų | 143.9 | 64% | 0.64 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.1 | -34.5 | 177.5 | -65.5 | -160.2 | -28.5 | 0 | 0 | 111.3 | D64 L71 | D64-Q67 PolarHBondContact O-N 3.24Å; Q67-L71 WeakPolarHBondContact O-CB 3.29Å; Q67-L71 PolarHBondContact O-N 2.98Å |
| 68 | Q | 45.3 | Very low | 45.1 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -70.6 | -38 | 176.4 | -137.4 | -163.8 | 79.9 | 0 | 0 | 112.7 | D64 S65 F66 L71 R72 | D64-Q68 PolarHBondContact O-N 3.47Å; D64-Q68 VanDerWaalsContact O-N 3.09Å; S65-Q68 PolarHBondContact O-N 3.23Å; F66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-L71 PolarHBondContact O-N 3.35Å; Q68-R72 VanDerWaalsContact O-CB 3.29Å; Q68-R72 WeakPolarHBondContact O-CB 3.32Å; Q68-R72 PolarHBondContact O-N 3.38Å |
| 69 | V | 42.8 | Very low | 45.8 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 50% | 0.497 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -68.3 | -35.1 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 112 | S65 | S65-V69 WeakPolarHBondContact O-CG2 3.34Å; S65-V69 PolarHBondContact O-N 3.48Å |
| 70 | I | 49.2 | Very low | 45.6 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -72 | -42.8 | 174.9 | -66.5 | 168 | 0 | 0 | 0 | 110.7 | F66 R72 R73 | F66-I70 VanDerWaalsContact O-CG1 3.31Å; F66-I70 WeakPolarHBondContact O-CG1 3.44Å; F66-I70 PolarHBondContact O-N 3.14Å; F66-I70 VanDerWaalsContact O-N 3.12Å; I70-R72 VanDerWaalsContact C-N 3.33Å; I70-R72 PolarHBondContact O-N 3.02Å; I70-R73 PolarHBondContact O-N 3.05Å |
| 71 | L | 41.1 | Very low | 45.4 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.5 | -35 | 177.9 | -159.1 | 73.5 | 0 | 0 | 0 | 112.1 | Q67 Q68 R73 H74 | Q67-L71 WeakPolarHBondContact O-CB 3.29Å; Q67-L71 PolarHBondContact O-N 2.98Å; Q68-L71 PolarHBondContact O-N 3.35Å; L71-R73 PolarHBondContact O-N 3.28Å; L71-H74 PolarHBondContact O-N 3.17Å |
| 72 | R | 42.3 | Very low | 45.5 | Very low | 220 Ų | 220 | 141.3 Ų | 141.3 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -66.5 | -20.5 | 176 | -156.7 | 177.3 | -165.4 | -172.7 | 5 | 113.3 | Q68 I70 | Q68-R72 VanDerWaalsContact O-CB 3.29Å; Q68-R72 WeakPolarHBondContact O-CB 3.32Å; Q68-R72 PolarHBondContact O-N 3.38Å; I70-R72 VanDerWaalsContact C-N 3.33Å; I70-R72 PolarHBondContact O-N 3.02Å |
| 73 | R | 43.8 | Very low | 45.2 | Very low | 220 Ų | 220 | 143.6 Ų | 143.6 | 83% | 0.83 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -1.9 | 172.5 | -94.8 | -176.9 | 176.2 | 151.1 | -0.2 | 114.2 | I70 L71 | I70-R73 PolarHBondContact O-N 3.05Å; L71-R73 PolarHBondContact O-N 3.28Å |
| 74 | H | 47.4 | Very low | 45.1 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 81% | 0.806 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -124 | 28.5 | 179.2 | -109.2 | 42.9 | 0 | 0 | 0 | 113.2 | L71 | L71-H74 PolarHBondContact O-N 3.17Š|
| 75 | G | 42.6 | Very low | 44.4 | Very low | 60 Ų | 60 | 149.9 Ų | 149.9 | 62% | 0.619 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -99.3 | 98.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 76 | K | 52.2 | Low | 44 | Very low | 168 Ų | 168 | 156.2 Ų | 156.2 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | | | trans | 61.1 | 94 | 158.5 | -55.9 | -175.2 | 175.6 | -157.6 | 0 | 117.9 | E78 | K76-E78 IonicContact NZ-OE1 3.51Š|
| 77 | C | 44.4 | Very low | 43.1 | Very low | 143 Ų | 143 | 153.3 Ų | 153.3 | 97% | 0.966 | 76% | 0.757 | S | S | * | * | | | trans | -101 | 94.9 | 133.1 | -87 | 0 | 0 | 0 | 0 | 106.7 | | |
| 78 | E | 38.1 | Very low | 42.7 | Very low | 139 Ų | 139 | 152.3 Ų | 152.3 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | -65.5 | 144.9 | 166.5 | -79.4 | 171.9 | -173.8 | 0 | 0 | 109.2 | K76 E80 | K76-E78 IonicContact NZ-OE1 3.51Å; E78-E80 PolarHBondContact O-N 3.33Å; E78-E80 VanDerWaalsContact O-N 3.17Å |
| 79 | H | 50.2 | Low | 42.2 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | | | trans | -68.1 | 104.9 | -177 | 174.6 | 74.9 | 0 | 0 | 0 | 110.6 | N81 | H79-N81 PolarHBondContact CD2-ND2 3.24Å; H79-N81 PolarHBondContact NE2-ND2 3.18Å |
| 80 | E | 38 | Very low | 41.9 | Very low | 164 Ų | 164 | 153.1 Ų | 153.1 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | trans | -109.3 | 112 | 169.2 | -68.6 | -170 | -180 | 0 | 0 | 110.7 | E78 L82 | E78-E80 PolarHBondContact O-N 3.33Å; E78-E80 VanDerWaalsContact O-N 3.17Å; E80-L82 PolarHBondContact O-N 3.3Å |
| 81 | N | 43.9 | Very low | 41.7 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | | | trans | -67 | 89.7 | 170.8 | -76.5 | -75.5 | 0 | 0 | 0 | 110.3 | H79 Q83 | H79-N81 PolarHBondContact CD2-ND2 3.24Å; H79-N81 PolarHBondContact NE2-ND2 3.18Å; N81-Q83 PolarHBondContact O-N 3.39Å |
| 82 | L | 47.3 | Very low | 41.5 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -80.8 | 101.7 | 164.8 | -79 | 168.6 | 0 | 0 | 0 | 109.4 | E80 L84 | E80-L82 PolarHBondContact O-N 3.3Å; L82-L84 PolarHBondContact O-N 2.86Å |
| 83 | Q | 40.7 | Very low | 40.9 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | -53.9 | 124.3 | 177.9 | -65.8 | -178.3 | 19.9 | 0 | 0 | 111.1 | N81 R85 | N81-Q83 PolarHBondContact O-N 3.39Å; Q83-R85 VanDerWaalsContact C-N 3.3Å; Q83-R85 PolarHBondContact O-N 3.1Å |
| 84 | L | 44.1 | Very low | 40.4 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | | | trans | -71.3 | 81 | 178.7 | -150 | 144.1 | 0 | 0 | 0 | 109.4 | L82 K86 | L82-L84 PolarHBondContact O-N 2.86Å; L84-K86 PolarHBondContact O-N 3.43Å |
| 85 | R | 32.6 | Very low | 39.8 | Very low | 240 Ų | 240 | 145.1 Ų | 145.1 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -83 | 102.7 | 176.6 | -170.4 | 173.4 | 176.6 | -131.6 | 0.5 | 110.4 | Q83 | Q83-R85 VanDerWaalsContact C-N 3.3Å; Q83-R85 PolarHBondContact O-N 3.1Å |
| 86 | K | 43.3 | Very low | 39.4 | Very low | 201 Ų | 201 | 148.5 Ų | 148.5 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -63.2 | 129.6 | 168.2 | -150.1 | 172.5 | -172.9 | 178.2 | 0 | 110 | L84 | L84-K86 PolarHBondContact O-N 3.43Š|
| 87 | G | 30.1 | Very low | 38.5 | Very low | 77 Ų | 77 | 150.5 Ų | 150.5 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -164.6 | 107.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 88 | S | 37.3 | Very low | 38.7 | Very low | 116 Ų | 116 | 153.3 Ų | 153.3 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -79.6 | 149.2 | -169.9 | 47.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 89 | A | 34.4 | Very low | 38.9 | Very low | 91 Ų | 91 | 155 Ų | 155 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | 59.6 | 104 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 90 | N | 37.3 | Very low | 38.3 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -128.6 | 101.8 | 138.1 | -154.9 | -40.3 | 0 | 0 | 0 | 108.1 | V92 | N90-V92 PolarHBondContact O-N 2.86Š|
| 91 | V | 44.4 | Very low | 38.4 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -76.9 | 93.2 | 170.9 | 172.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 92 | V | 36.2 | Very low | 38.7 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | | | trans | -112 | 106.6 | 152.1 | 179.8 | 0 | 0 | 0 | 0 | 106 | N90 C94 | N90-V92 PolarHBondContact O-N 2.86Å; V92-C94 PolarHBondContact O-N 3.27Å |
| 93 | E | 30.7 | Very low | 38.3 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | | | trans | -43.9 | 92.6 | 172.9 | -170.6 | -179.2 | 180 | 0 | 0 | 110.8 | K95 | E93-K95 PolarHBondContact O-N 3.03Š|
| 94 | C | 33.4 | Very low | 38.1 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | trans | -68.3 | 104.2 | 167.1 | -92.9 | 0 | 0 | 0 | 0 | 107.2 | V92 V96 | V92-C94 PolarHBondContact O-N 3.27Å; C94-V96 VanDerWaalsContact C-N 3.34Å; C94-V96 PolarHBondContact O-N 3.43Å |
| 95 | K | 34.6 | Very low | 37.9 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | -54.8 | 102.3 | 164 | -68.3 | 180 | -179.9 | 177.7 | 0 | 107.4 | E93 Y97 | E93-K95 PolarHBondContact O-N 3.03Å; K95-Y97 PolarHBondContact O-N 2.93Å |
| 96 | V | 33.8 | Very low | 37.9 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -66.5 | 89.2 | 173.2 | 179.4 | 0 | 0 | 0 | 0 | 107 | C94 K98 | C94-V96 VanDerWaalsContact C-N 3.34Å; C94-V96 PolarHBondContact O-N 3.43Å; V96-K98 PolarHBondContact O-N 3.32Å; V96-K98 VanDerWaalsContact O-N 3.1Å |
| 97 | Y | 34.3 | Very low | 37.7 | Very low | 209 Ų | 209 | 139.8 Ų | 139.8 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | | | trans | -68.7 | 104.7 | 160.4 | -100.8 | -86.1 | 0 | 0 | 0 | 107 | K95 K99 | K95-Y97 PolarHBondContact O-N 2.93Å; Y97-K99 PolarHBondContact O-N 3.33Å |
| 98 | K | 48.6 | Very low | 38.2 | Very low | 203 Ų | 203 | 142.5 Ų | 142.5 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | trans | -50.2 | 96.3 | 165.6 | -83.5 | 178.9 | 171 | 176.8 | 0 | 109.2 | V96 | V96-K98 PolarHBondContact O-N 3.32Å; V96-K98 VanDerWaalsContact O-N 3.1Å |
| 99 | K | 41.8 | Very low | 38.2 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | | | trans | -156.9 | 96.7 | 164.3 | -156.5 | 167.4 | -176.7 | 176.3 | 0 | 110.4 | Y97 | Y97-K99 PolarHBondContact O-N 3.33Š|
| 100 | G | 36.9 | Very low | 38.4 | Very low | 56 Ų | 56 | 144.3 Ų | 144.3 | 58% | 0.577 | 75% | 0.75 | S | S | * | * | | | trans | -173.8 | 56 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 101 | Y | 41.5 | Very low | 38.5 | Very low | 220 Ų | 220 | 143.1 Ų | 143.1 | 86% | 0.863 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -149.8 | 32.3 | 169.6 | -76.6 | -66.9 | 0 | 0 | 0 | 112.1 | | |
| 102 | N | 48.3 | Very low | 38.3 | Very low | 83 Ų | 83 | 145.5 Ų | 145.5 | 44% | 0.444 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -127.4 | 4.5 | -166.6 | 43.1 | -44.8 | 0 | 0 | 0 | 114.7 | | |
| 103 | E | 39.4 | Very low | 38.4 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -106.7 | -9.1 | 173.5 | -84.6 | 168.9 | 159.9 | 0 | 0 | 114.6 | | |
| 104 | L | 36.1 | Very low | 38.9 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -88.9 | -11.6 | 173.2 | -71.5 | 173.1 | 0 | 0 | 0 | 113.8 | | |
| 105 | N | 40.3 | Very low | 39.3 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 56% | 0.556 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -90.4 | -8.6 | -177.5 | -77.5 | -20.7 | 0 | 0 | 0 | 114.4 | C107 L108 | N105-C107 VanDerWaalsContact C-N 3.33Å; N105-C107 PolarHBondContact O-N 3.03Å; N105-L108 PolarHBondContact O-N 3.44Å |
| 106 | Q | 33.6 | Very low | 39.7 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -78.4 | -16.1 | -178.5 | -74.5 | -171.5 | 27.8 | 0 | 0 | 113.8 | L108 | Q106-L108 VanDerWaalsContact C-N 3.25Å; Q106-L108 PolarHBondContact O-N 3.39Å |
| 107 | C | 38.6 | Very low | 39.8 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -81.9 | -2.4 | 176.1 | -143.9 | 0 | 0 | 0 | 0 | 113.4 | N105 | N105-C107 VanDerWaalsContact C-N 3.33Å; N105-C107 PolarHBondContact O-N 3.03Å |
| 108 | L | 40.4 | Very low | 40.4 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 70% | 0.702 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -100.4 | -4.3 | -172 | -96.8 | 152.1 | 0 | 0 | 0 | 114.9 | N105 Q106 | N105-L108 PolarHBondContact O-N 3.44Å; Q106-L108 VanDerWaalsContact C-N 3.25Å; Q106-L108 PolarHBondContact O-N 3.39Å |
| 109 | T | 37.5 | Very low | 40.2 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -115 | 14.3 | -164.6 | -21.3 | 0 | 0 | 0 | 0 | 116 | | |
| 110 | T | 38 | Very low | 40.4 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -134.3 | 31.6 | 178 | -26.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 111 | T | 39.8 | Very low | 40.7 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 76% | 0.761 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -150.7 | 105.9 | 151.3 | -55.2 | 0 | 0 | 0 | 0 | 104.8 | S113 | T111-S113 VanDerWaalsContact C-N 3.26Å; T111-S113 PolarHBondContact O-N 2.95Å |
| 112 | Q | 41.4 | Very low | 40.8 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 86% | 0.864 | 70% | 0.696 | S | S | * | * | | | trans | -47.9 | 106.2 | 163.5 | -73.6 | -179.3 | -5.2 | 0 | 0 | 106.1 | K114 | Q112-K114 PolarHBondContact O-N 3.09Š|
| 113 | S | 37.2 | Very low | 40.8 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 56% | 0.559 | 70% | 0.704 | S | S | * | * | | | trans | -43.1 | 118.5 | 165.8 | 35.5 | 0 | 0 | 0 | 0 | 105.9 | T111 I115 | T111-S113 VanDerWaalsContact C-N 3.26Å; T111-S113 PolarHBondContact O-N 2.95Å; S113-I115 VanDerWaalsContact CB-CG1 3.5Å; S113-I115 WeakPolarHBondContact O-CG1 3.49Å; S113-I115 PolarHBondContact O-N 3.46Å; S113-I115 WeakPolarHBondContact OG-CG1 3.18Å |
| 114 | K | 41.6 | Very low | 41 | Very low | 203 Ų | 203 | 131.5 Ų | 131.5 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | | | trans | -60.2 | 84.4 | 143.7 | -79.6 | 175.3 | 176.6 | 174.1 | 0 | 103.9 | Q112 F116 | Q112-K114 PolarHBondContact O-N 3.09Å; K114-F116 PolarHBondContact O-N 2.83Å |
| 115 | I | 41.2 | Very low | 41.2 | Very low | 134 Ų | 134 | 131 Ų | 131 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | | | trans | -63.7 | 90.8 | 177.7 | -62.7 | 170.6 | 0 | 0 | 0 | 104.5 | S113 | S113-I115 VanDerWaalsContact CB-CG1 3.5Å; S113-I115 WeakPolarHBondContact O-CG1 3.49Å; S113-I115 PolarHBondContact O-N 3.46Å; S113-I115 WeakPolarHBondContact OG-CG1 3.18Å |
| 116 | F | 42.7 | Very low | 41.6 | Very low | 175 Ų | 175 | 132 Ų | 132 | 77% | 0.768 | 68% | 0.68 | S | S | * | * | | | trans | -61.7 | 133.6 | 152.3 | -93.3 | -88.8 | 0 | 0 | 0 | 106.5 | K114 C118 | K114-F116 PolarHBondContact O-N 2.83Å; F116-C118 PolarHBondContact O-N 3.43Å |
| 117 | P | 37 | Very low | 42 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 68% | 0.68 | S | S | * | * | | | trans | -69.5 | 94.9 | -175.4 | 26.4 | -32.8 | 0 | 0 | 0 | 110.2 | D119 | P117-D119 PolarHBondContact O-N 2.99Š|
| 118 | C | 46 | Very low | 42.5 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 53% | 0.527 | 66% | 0.661 | S | S | . | * | | | trans | -84.4 | 24.1 | 169.6 | -80.1 | 0 | 0 | 0 | 0 | 113 | F116 K120 I122 | F116-C118 PolarHBondContact O-N 3.43Å; C118-K120 VanDerWaalsContact C-N 3.31Å; C118-K120 PolarHBondContact O-N 3.46Å; C118-I122 WeakPolarHBondContact O-CD1 3.38Å; C118-I122 WeakPolarHBondContact O-CG1 3.46Å |
| 119 | D | 44.8 | Very low | 42.6 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 52% | 0.524 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -72.1 | -24.6 | -175.5 | -159 | 50.1 | 0 | 0 | 0 | 113 | P117 K123 | P117-D119 PolarHBondContact O-N 2.99Å; D119-K123 IonicContact OD2-NZ 2.85Å; D119-K123 PolarHBondContact OD2-NZ 2.86Å |
| 120 | K | 47.2 | Very low | 43.1 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 75% | 0.748 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.8 | -31.9 | -176.5 | -164.3 | 173.4 | -177.6 | 179.7 | 0 | 113.2 | C118 | C118-K120 VanDerWaalsContact C-N 3.31Å; C118-K120 PolarHBondContact O-N 3.46Å |
| 121 | Y | 41.7 | Very low | 43.6 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 63% | 0.631 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -88.6 | -33.3 | -174.3 | -66.6 | -81.7 | 0 | 0 | 0 | 112.5 | K123 V124 F125 | Y121-K123 VanDerWaalsContact C-N 3.35Å; Y121-K123 PolarHBondContact O-N 3.5Å; Y121-V124 PolarHBondContact O-N 3.49Å; Y121-F125 WeakPolarHBondContact O-CD2 3.45Å; Y121-F125 PolarHBondContact O-N 2.83Å |
| 122 | I | 44.1 | Very low | 43.9 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 48% | 0.482 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.3 | -35.2 | -177.4 | -64.8 | 171 | 0 | 0 | 0 | 112 | C118 V124 F125 H126 | C118-I122 WeakPolarHBondContact O-CD1 3.38Å; C118-I122 WeakPolarHBondContact O-CG1 3.46Å; I122-V124 VanDerWaalsContact C-N 3.3Å; I122-V124 PolarHBondContact O-N 3.14Å; I122-F125 PolarHBondContact O-N 3.17Å; I122-H126 PolarHBondContact O-N 3.03Å |
| 123 | K | 47.8 | Very low | 44.2 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 61% | 0.609 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.3 | -31.5 | 176.5 | -79.7 | 170 | 179.4 | 146.9 | 0 | 113.4 | D119 Y121 | D119-K123 IonicContact OD2-NZ 2.85Å; D119-K123 PolarHBondContact OD2-NZ 2.86Å; Y121-K123 VanDerWaalsContact C-N 3.35Å; Y121-K123 PolarHBondContact O-N 3.5Å |
| 124 | V | 43.8 | Very low | 44.9 | Very low | 82 Ų | 82 | 135 Ų | 135 | 50% | 0.497 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -72.9 | -40.8 | 179.6 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | Y121 I122 H126 K127 I128 | Y121-V124 PolarHBondContact O-N 3.49Å; I122-V124 VanDerWaalsContact C-N 3.3Å; I122-V124 PolarHBondContact O-N 3.14Å; V124-H126 PolarHBondContact O-N 2.84Å; V124-K127 PolarHBondContact O-N 3.47Å; V124-I128 HydrophobicContact CG1-CD1 3.97Å; V124-I128 WeakPolarHBondContact O-CG1 3.5Å; V124-I128 PolarHBondContact O-N 3.37Å |
| 125 | F | 40.2 | Very low | 45.4 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 63% | 0.627 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.5 | -40.3 | 179.7 | -71.7 | -69.3 | 0 | 0 | 0 | 113.1 | Y121 I122 K127 I128 F129 | Y121-F125 WeakPolarHBondContact O-CD2 3.45Å; Y121-F125 PolarHBondContact O-N 2.83Å; I122-F125 PolarHBondContact O-N 3.17Å; F125-K127 VanDerWaalsContact C-N 3.26Å; F125-K127 PolarHBondContact O-N 3.43Å; F125-I128 PolarHBondContact O-N 3.3Å; F125-F129 PolarHBondContact O-N 3.47Å |
| 126 | H | 48.4 | Very low | 45.9 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 58% | 0.583 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -63.1 | -31 | 176.9 | -91.1 | -72.6 | 0 | 0 | 0 | 113.4 | I122 V124 N130 | I122-H126 PolarHBondContact O-N 3.03Å; V124-H126 PolarHBondContact O-N 2.84Å; H126-N130 PolarHBondContact O-N 3.03Å |
| 127 | K | 43.8 | Very low | 46.2 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 73% | 0.73 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.7 | -37.8 | 179.1 | -165.9 | 172.8 | -178.2 | 178.9 | 0 | 112.4 | V124 F125 S131 | V124-K127 PolarHBondContact O-N 3.47Å; F125-K127 VanDerWaalsContact C-N 3.26Å; F125-K127 PolarHBondContact O-N 3.43Å; K127-S131 WeakPolarHBondContact O-CB 3.47Å; K127-S131 PolarHBondContact O-N 3.18Å |
| 128 | I | 48.9 | Very low | 46.2 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 48% | 0.482 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -69.8 | -41.8 | 179.8 | -63.7 | 166.8 | 0 | 0 | 0 | 110.9 | V124 F125 S131 N132 | V124-I128 HydrophobicContact CG1-CD1 3.97Å; V124-I128 WeakPolarHBondContact O-CG1 3.5Å; V124-I128 PolarHBondContact O-N 3.37Å; F125-I128 PolarHBondContact O-N 3.3Å; I128-S131 PolarHBondContact O-N 2.92Å; I128-N132 PolarHBondContact O-ND2 3.29Å |
| 129 | F | 41.6 | Very low | 46.2 | Very low | 174 Ų | 174 | 147 Ų | 147 | 76% | 0.763 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -70.1 | -36.5 | -177.8 | -149.4 | -93.4 | 0 | 0 | 0 | 112.8 | F125 | F125-F129 PolarHBondContact O-N 3.47Å |
| 130 | N | 47.8 | Very low | 46.3 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 57% | 0.567 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -74.6 | -28.6 | 177.3 | -82 | -22 | 0 | 0 | 0 | 113.4 | H126 N132 | H126-N130 PolarHBondContact O-N 3.03Å; N130-N132 VanDerWaalsContact C-N 3.35Å; N130-N132 PolarHBondContact O-N 3.25Å |
| 131 | S | 49.6 | Very low | 46.2 | Very low | 87 Ų | 87 | 148.2 Ų | 148.2 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -76 | -20.3 | -178.4 | -168.5 | 0 | 0 | 0 | 0 | 113.9 | K127 I128 | K127-S131 WeakPolarHBondContact O-CB 3.47Å; K127-S131 PolarHBondContact O-N 3.18Å; I128-S131 PolarHBondContact O-N 2.92Å |
| 132 | N | 45.3 | Very low | 46.5 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 66% | 0.658 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -86.4 | -2.9 | -177.9 | -76.3 | -24.6 | 0 | 0 | 0 | 114.1 | I128 N130 H134 | I128-N132 PolarHBondContact O-ND2 3.29Å; N130-N132 VanDerWaalsContact C-N 3.35Å; N130-N132 PolarHBondContact O-N 3.25Å; N132-H134 VanDerWaalsContact C-N 3.34Å; N132-H134 PolarHBondContact O-N 2.86Å |
| 133 | R | 47.6 | Very low | 46.6 | Very low | 209 Ų | 209 | 150.6 Ų | 150.6 | 79% | 0.789 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -86.3 | 0.2 | -175.9 | -154 | 172.7 | 171.9 | 179.7 | -2.7 | 114.5 | | |
| 134 | H | 51.9 | Low | 46.5 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 73% | 0.731 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -119.6 | 14.5 | -170.2 | -61.7 | -65.4 | 0 | 0 | 0 | 116.2 | N132 | N132-H134 VanDerWaalsContact C-N 3.34Å; N132-H134 PolarHBondContact O-N 2.86Å |
| 135 | K | 52.5 | Low | 46.7 | Very low | 201 Ų | 201 | 155.9 Ų | 155.9 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | | | trans | -127 | 41.5 | 176.5 | -67.7 | -165.2 | 179.4 | -176.3 | 0 | 114.7 | | |
| 136 | T | 52.1 | Low | 47.2 | Very low | 133 Ų | 133 | 156.9 Ų | 156.9 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | | | trans | -127.2 | 71.3 | 166.4 | -17.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 137 | R | 47.7 | Very low | 47.1 | Very low | 235 Ų | 235 | 159.2 Ų | 159.2 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | trans | -156.5 | 115.8 | 161.4 | -109.2 | 172.6 | -172 | -170.9 | 1 | 111 | | |
| 138 | H | 38.7 | Very low | 47.4 | Very low | 170 Ų | 170 | 158.5 Ų | 158.5 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | | | trans | 55.6 | 113.3 | 161.1 | -71.8 | -62.5 | 0 | 0 | 0 | 120.8 | | |
| 139 | T | 44.8 | Very low | 47.2 | Very low | 212 Ų | 212 | 164.4 Ų | 164.4 | 100% | 1.301 | 80% | 0.798 | S | S | * | * | | | | -135 | 0 | 101.5 | -38.1 | 0 | 0 | 0 | 0 | 108.2 | | |