| 1 | M | 37.6 | Very low | 43.5 | Very low | 240 Ų | 240 | 124.5 Ų | 124.5 | 100% | 1.182 | 77% | 0.773 | S | S | * | * | | | | 0 | 118.7 | 0 | -78.2 | 85.8 | 162.2 | 0 | 0 | 108.6 | S3 | M1-S3 PolarHBondContact O-N 3.14Š|
| 2 | A | 33.4 | Very low | 43.7 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | -70.7 | 108.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | G4 | A2-G4 PolarHBondContact O-N 3.4Š|
| 3 | S | 42.3 | Very low | 44.1 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -62.5 | 106.6 | 168.4 | 52.1 | 0 | 0 | 0 | 0 | 107.3 | M1 C5 | M1-S3 PolarHBondContact O-N 3.14Å; S3-C5 PolarHBondContact O-N 2.85Å |
| 4 | G | 41 | Very low | 44.1 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | | | trans | -45.6 | 125 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110 | A2 K6 | A2-G4 PolarHBondContact O-N 3.4Å; G4-K6 PolarHBondContact O-N 3.35Å |
| 5 | C | 41 | Very low | 44.6 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | -55.2 | 103 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 108.3 | S3 I7 | S3-C5 PolarHBondContact O-N 2.85Å; C5-I7 VanDerWaalsContact C-N 3.28Å; C5-I7 PolarHBondContact O-N 2.58Å |
| 6 | K | 49.1 | Very low | 45 | Very low | 204 Ų | 204 | 127.9 Ų | 127.9 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | | | trans | -72.5 | 92.7 | 170.5 | -66.4 | -179.8 | -176.9 | 176.8 | 0 | 105.9 | G4 G8 | G4-K6 PolarHBondContact O-N 3.35Å; K6-G8 PolarHBondContact O-N 3.44Å |
| 7 | I | 42.6 | Very low | 45.5 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | -65.4 | 95 | 164.3 | -56.4 | -60.5 | 0 | 0 | 0 | 105.2 | C5 P9 | C5-I7 VanDerWaalsContact C-N 3.28Å; C5-I7 PolarHBondContact O-N 2.58Å; I7-P9 WeakPolarHBondContact O-CD 3.32Å |
| 8 | G | 52.5 | Low | 45.8 | Very low | 62 Ų | 62 | 124.4 Ų | 124.4 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | | | trans | -76.5 | 105.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | K6 S10 | K6-G8 PolarHBondContact O-N 3.44Å; G8-S10 PolarHBondContact O-N 2.77Å |
| 9 | P | 47.7 | Very low | 46.2 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | | | trans | -58.3 | 136 | 164.2 | 28.1 | -32.4 | 0 | 0 | 0 | 106.6 | I7 I11 | I7-P9 WeakPolarHBondContact O-CD 3.32Å; P9-I11 WeakPolarHBondContact O-CG1 3.46Å; P9-I11 PolarHBondContact O-N 3.23Å |
| 10 | S | 43.4 | Very low | 46.7 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | trans | -57.2 | 95.3 | -178.9 | 31.8 | 0 | 0 | 0 | 0 | 110.9 | G8 L12 N13 | G8-S10 PolarHBondContact O-N 2.77Å; S10-L12 PolarHBondContact O-N 3.31Å; S10-N13 PolarHBondContact O-N 3.25Å |
| 11 | I | 47.7 | Very low | 47.1 | Very low | 120 Ų | 120 | 115.7 Ų | 115.7 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 7.1 | -178.4 | -32.8 | -177.2 | 0 | 0 | 0 | 112.5 | P9 N13 | P9-I11 WeakPolarHBondContact O-CG1 3.46Å; P9-I11 PolarHBondContact O-N 3.23Å; I11-N13 VanDerWaalsContact C-N 3.33Å |
| 12 | L | 46 | Very low | 47.8 | Very low | 178 Ų | 178 | 108.1 Ų | 108.1 | 93% | 0.932 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -7.8 | 173.3 | -70 | 176.1 | 0 | 0 | 0 | 113.5 | S10 | S10-L12 PolarHBondContact O-N 3.31Š|
| 13 | N | 48.7 | Very low | 48.7 | Very low | 146 Ų | 146 | 106.2 Ų | 106.2 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -141.4 | 13.5 | -175.4 | -162.5 | 79 | 0 | 0 | 0 | 115.7 | S10 I11 | S10-N13 PolarHBondContact O-N 3.25Å; I11-N13 VanDerWaalsContact C-N 3.33Å |
| 14 | S | 44.8 | Very low | 49.3 | Very low | 90 Ų | 90 | 106.9 Ų | 106.9 | 63% | 0.629 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -141.8 | 98.3 | 178.7 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | L16 | S14-L16 PolarHBondContact O-N 3.39Š|
| 15 | D | 51.6 | Low | 49.8 | Very low | 130 Ų | 130 | 112.1 Ų | 112.1 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | | | trans | 33.1 | 77 | 149 | -121.4 | -83.2 | 0 | 0 | 0 | 116.2 | A17 N18 | D15-A17 PolarHBondContact O-N 3Å; D15-A17 WeakPolarHBondContact OD1-CB 3.5Å; D15-N18 PolarHBondContact O-N 3.27Å |
| 16 | L | 50.2 | Low | 50.2 | Low | 133 Ų | 133 | 113.8 Ų | 113.8 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -17.2 | 170.9 | -172.9 | 63 | 0 | 0 | 0 | 112.7 | S14 N18 | S14-L16 PolarHBondContact O-N 3.39Å; L16-N18 PolarHBondContact O-N 3.19Å; L16-N18 VanDerWaalsContact C-N 3.29Å |
| 17 | A | 53.3 | Low | 50.3 | Low | 81 Ų | 81 | 110.1 Ų | 110.1 | 67% | 0.669 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.5 | -23.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D15 | D15-A17 PolarHBondContact O-N 3Å; D15-A17 WeakPolarHBondContact OD1-CB 3.5Å |
| 18 | N | 51 | Low | 50.5 | Low | 113 Ų | 113 | 110 Ų | 110 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -93.8 | -15.5 | -178.2 | -151.4 | 40.8 | 0 | 0 | 0 | 113.7 | D15 L16 | D15-N18 PolarHBondContact O-N 3.27Å; L16-N18 PolarHBondContact O-N 3.19Å; L16-N18 VanDerWaalsContact C-N 3.29Å |
| 19 | L | 53.8 | Low | 50.2 | Low | 96 Ų | 96 | 112 Ų | 112 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -74.1 | -32.4 | 175.1 | -172.2 | 63.7 | 0 | 0 | 0 | 111.7 | A21 E22 C23 | L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.06Å; L19-E22 PolarHBondContact O-N 3.44Å; L19-C23 PolarHBondContact O-N 3.33Å; L19-C23 PolarHBondContact O-SG 3.45Å |
| 20 | G | 56 | Low | 50.2 | Low | 46 Ų | 46 | 110.3 Ų | 110.3 | 47% | 0.474 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.3 | -36.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L24 | G20-L24 PolarHBondContact O-N 3.45Å |
| 21 | A | 54.9 | Low | 50.1 | Low | 47 Ų | 47 | 109.1 Ų | 109.1 | 39% | 0.388 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.2 | -37.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L19 L24 R25 | L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.06Å; A21-L24 PolarHBondContact O-N 3.1Å; A21-R25 PolarHBondContact O-N 3.23Å |
| 22 | E | 52.8 | Low | 50.3 | Low | 82 Ų | 82 | 109.8 Ų | 109.8 | 38% | 0.383 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -71 | -37.9 | 174 | -73.7 | -53.7 | 82.9 | 0 | 0 | 113.2 | L19 L24 R25 M26 | L19-E22 PolarHBondContact O-N 3.44Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 2.79Å; E22-R25 PolarHBondContact OE2-NH2 3.02Å; E22-R25 PolarHBondContact O-N 3.4Å; E22-R25 IonicContact OE2-NH2 3.44Å; E22-R25 PolarHBondContact OE1-NH2 2.96Å; E22-R25 IonicContact OE1-NH2 2.58Å; E22-R25 IonicContact OE1-NE 2.77Å; E22-R25 IonicContact OE1-CZ 3.04Å; E22-R25 VanDerWaalsContact CD-NH2 3.33Å; E22-R25 PolarHBondContact OE1-NE 3.46Å; E22-M26 PolarHBondContact O-N 2.93Å; E22-M26 VanDerWaalsContact O-N 3.1Å |
| 23 | C | 53.1 | Low | 50.4 | Low | 64 Ų | 64 | 111.5 Ų | 111.5 | 43% | 0.432 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -62.7 | -37.8 | 173.3 | -77.2 | 0 | 0 | 0 | 0 | 111.8 | L19 M26 L27 | L19-C23 PolarHBondContact O-N 3.33Å; L19-C23 PolarHBondContact O-SG 3.45Å; C23-M26 PolarHBondContact O-N 3.18Å; C23-L27 WeakPolarHBondContact O-CB 3.45Å; C23-L27 WeakPolarHBondContact O-CD1 3.08Å; C23-L27 VanDerWaalsContact O-CG 3.32Å; C23-L27 WeakPolarHBondContact O-CG 3.46Å; C23-L27 PolarHBondContact O-N 2.84Å |
| 24 | L | 53.1 | Low | 50.1 | Low | 124 Ų | 124 | 112.2 Ų | 112.2 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67 | -36.8 | 178.1 | -165.2 | 65.3 | 0 | 0 | 0 | 112 | G20 A21 E22 L27 D28 | G20-L24 PolarHBondContact O-N 3.45Å; A21-L24 PolarHBondContact O-N 3.1Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 2.79Å; L24-L27 PolarHBondContact O-N 3.11Å; L24-D28 PolarHBondContact O-N 3.46Å |
| 25 | R | 52.9 | Low | 50.6 | Low | 173 Ų | 173 | 116.7 Ų | 116.7 | 65% | 0.653 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.1 | -33.9 | 173.5 | -70.1 | -159.1 | -76.8 | -176 | -2.6 | 113 | A21 E22 | A21-R25 PolarHBondContact O-N 3.23Å; E22-R25 PolarHBondContact OE2-NH2 3.02Å; E22-R25 PolarHBondContact O-N 3.4Å; E22-R25 IonicContact OE2-NH2 3.44Å; E22-R25 PolarHBondContact OE1-NH2 2.96Å; E22-R25 IonicContact OE1-NH2 2.58Å; E22-R25 IonicContact OE1-NE 2.77Å; E22-R25 IonicContact OE1-CZ 3.04Å; E22-R25 VanDerWaalsContact CD-NH2 3.33Å; E22-R25 PolarHBondContact OE1-NE 3.46Å |
| 26 | M | 49.2 | Very low | 50.6 | Low | 152 Ų | 152 | 117.6 Ų | 117.6 | 75% | 0.749 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.1 | -27.1 | 175.2 | -73.6 | -176.4 | 88.2 | 0 | 0 | 113.5 | E22 C23 | E22-M26 PolarHBondContact O-N 2.93Å; E22-M26 VanDerWaalsContact O-N 3.1Å; C23-M26 PolarHBondContact O-N 3.18Å |
| 27 | L | 50.8 | Low | 50.6 | Low | 127 Ų | 127 | 119.1 Ų | 119.1 | 67% | 0.665 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77.7 | -30.3 | 178.2 | -76.7 | 161.9 | 0 | 0 | 0 | 113.4 | C23 L24 S29 | C23-L27 WeakPolarHBondContact O-CB 3.45Å; C23-L27 WeakPolarHBondContact O-CD1 3.08Å; C23-L27 VanDerWaalsContact O-CG 3.32Å; C23-L27 WeakPolarHBondContact O-CG 3.46Å; C23-L27 PolarHBondContact O-N 2.84Å; L24-L27 PolarHBondContact O-N 3.11Å; L27-S29 VanDerWaalsContact C-N 3.28Å; L27-S29 PolarHBondContact O-N 3.05Å |
| 28 | D | 47.5 | Very low | 50.2 | Low | 145 Ų | 145 | 118.8 Ų | 118.8 | 78% | 0.775 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -19.6 | -179.7 | -167.2 | -112.7 | 0 | 0 | 0 | 113.4 | L24 G30 | L24-D28 PolarHBondContact O-N 3.46Å; D28-G30 PolarHBondContact O-N 3.2Å; D28-G30 VanDerWaalsContact O-N 3.14Å |
| 29 | S | 45.2 | Very low | 49.9 | Very low | 105 Ų | 105 | 119.3 Ų | 119.3 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 18.1 | -179.8 | -69.2 | 0 | 0 | 0 | 0 | 115 | L27 | L27-S29 VanDerWaalsContact C-N 3.28Å; L27-S29 PolarHBondContact O-N 3.05Å |
| 30 | G | 47.8 | Very low | 49.3 | Very low | 63 Ų | 63 | 119.8 Ų | 119.8 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | | | trans | 65.4 | 46 | 170 | 0 | 0 | 0 | 0 | 0 | 113.8 | D28 D32 | D28-G30 PolarHBondContact O-N 3.2Å; D28-G30 VanDerWaalsContact O-N 3.14Å; G30-D32 VanDerWaalsContact C-N 3.26Å; G30-D32 PolarHBondContact O-N 3.04Å |
| 31 | A | 41 | Very low | 48.8 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | | | trans | -70.9 | 82.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y33 | A31-Y33 PolarHBondContact O-N 3.31Š|
| 32 | D | 52.4 | Low | 48.3 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | | | trans | -68.2 | 109.8 | 161.9 | -158 | -119.5 | 0 | 0 | 0 | 106.5 | G30 | G30-D32 VanDerWaalsContact C-N 3.26Å; G30-D32 PolarHBondContact O-N 3.04Å |
| 33 | Y | 48.2 | Very low | 48.1 | Very low | 214 Ų | 214 | 124.3 Ų | 124.3 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | | | trans | 80.1 | 85.4 | -177.4 | -52.2 | -80.4 | 0 | 0 | 0 | 117.6 | A31 | A31-Y33 PolarHBondContact O-N 3.31Š|
| 34 | L | 42.4 | Very low | 47.7 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | | | trans | -123.3 | 126.5 | 144.3 | -168.3 | 62.4 | 0 | 0 | 0 | 109.7 | L36 | L34-L36 PolarHBondContact O-N 2.9Š|
| 35 | H | 55.3 | Low | 47.4 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | | | trans | -41.5 | 128.6 | 175.3 | -159.9 | 85.9 | 0 | 0 | 0 | 112 | | |
| 36 | L | 52.3 | Low | 47.3 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | trans | -41.7 | 128 | -174.4 | -79.1 | 116.8 | 0 | 0 | 0 | 115 | L34 | L34-L36 PolarHBondContact O-N 2.9Š|
| 37 | D | 50.6 | Low | 47.3 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | | | | -148.2 | 105.6 | 124.8 | -106.8 | -42.2 | 0 | 0 | 0 | 109 | | |
| 38 | A | 44.7 | Very low | 47.1 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | | | trans | -77.5 | 146.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 39 | P | 44 | Very low | 47.3 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | | -123.8 | 107.6 | 105.9 | 31.8 | -27.3 | 0 | 0 | 0 | 111 | S41 | P39-S41 PolarHBondContact O-N 3.41Š|
| 40 | C | 41.9 | Very low | 47.3 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | | | trans | -66 | 94.5 | 169.6 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | S42 | C40-S42 PolarHBondContact O-N 2.94Å; C40-S42 VanDerWaalsContact O-N 3.11Å |
| 41 | S | 43.8 | Very low | 47.3 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -74.6 | 85.2 | 154.7 | 48 | 0 | 0 | 0 | 0 | 107.5 | P39 G43 | P39-S41 PolarHBondContact O-N 3.41Å; S41-G43 PolarHBondContact O-N 2.81Å |
| 42 | S | 45.2 | Very low | 47.6 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | | | trans | -68.2 | 71.5 | 175.1 | 42.9 | 0 | 0 | 0 | 0 | 111.5 | C40 | C40-S42 PolarHBondContact O-N 2.94Å; C40-S42 VanDerWaalsContact O-N 3.11Å |
| 43 | G | 49.1 | Very low | 47.4 | Very low | 56 Ų | 56 | 145.2 Ų | 145.2 | 58% | 0.577 | 81% | 0.811 | S | S | * | * | | | trans | -96.6 | 73.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | S41 Y45 | S41-G43 PolarHBondContact O-N 2.81Å; G43-Y45 WeakPolarHBondContact O-CD2 3.14Å; G43-Y45 PolarHBondContact O-N 3.36Å |
| 44 | R | 43.3 | Very low | 47.3 | Very low | 233 Ų | 233 | 141.2 Ų | 141.2 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -77.9 | 102.9 | 167.1 | -78.5 | -158.2 | -64.3 | -94.6 | 0.7 | 108.7 | | |
| 45 | Y | 47.4 | Very low | 47.6 | Very low | 224 Ų | 224 | 139.9 Ų | 139.9 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | | | trans | -47.5 | 138.6 | 160.6 | -75.1 | -98.3 | 0 | 0 | 0 | 110.8 | G43 | G43-Y45 WeakPolarHBondContact O-CD2 3.14Å; G43-Y45 PolarHBondContact O-N 3.36Å |
| 46 | A | 50.8 | Low | 47.1 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -62.6 | 125.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 47 | H | 49.8 | Very low | 46.7 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | trans | -168.2 | 128.2 | 158.4 | -143.9 | -97.9 | 0 | 0 | 0 | 103.4 | | |
| 48 | D | 45.8 | Very low | 46.4 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | cis | -174.6 | 159.1 | 49.7 | -175.3 | -136.2 | 0 | 0 | 0 | 107.3 | | |
| 49 | G | 51.8 | Low | 46.6 | Very low | 63 Ų | 63 | 138.8 Ų | 138.8 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | | | trans | -65.4 | 153.7 | -161 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 50 | V | 46.3 | Very low | 46.8 | Very low | 226 Ų | 226 | 140.2 Ų | 140.2 | 100% | 1.37 | 82% | 0.817 | S | S | * | * | | | trans | -146 | 0 | 138 | -75.2 | 0 | 0 | 0 | 0 | 108.7 | | |