| 1 | M | 62.7 | Low | 69.6 | Low | 217 Ų | 217 | 161 Ų | 161 | 100% | 1.069 | 81% | 0.805 | S | S | * | * | | | | 0 | 116.9 | 0 | -85.9 | 167.4 | 75.2 | 0 | 0 | 110 | K3 | M1-K3 PolarHBondContact O-N 3.4Å; M1-K3 VanDerWaalsContact O-N 3.11Å |
| 2 | P | 70.1 | Confident | 70.4 | Confident | 132 Ų | 132 | 164.6 Ų | 164.6 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | | | trans | -69 | 110 | 171.8 | 28.5 | -29.8 | 0 | 0 | 0 | 108.4 | A4 | P2-A4 PolarHBondContact O-N 3.2Š|
| 3 | K | 69.3 | Low | 70.9 | Confident | 179 Ų | 179 | 161.1 Ų | 161.1 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | | | trans | -60.1 | 121.2 | 168.9 | -66.2 | -71.5 | -175.8 | 174.6 | 0 | 106.4 | M1 K5 | M1-K3 PolarHBondContact O-N 3.4Å; M1-K3 VanDerWaalsContact O-N 3.11Å; K3-K5 PolarHBondContact O-N 3.41Å |
| 4 | A | 72.3 | Confident | 71.9 | Confident | 97 Ų | 97 | 152.8 Ų | 152.8 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -54.1 | 101.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | P2 G6 | P2-A4 PolarHBondContact O-N 3.2Å; A4-G6 PolarHBondContact O-N 3.06Å |
| 5 | K | 66 | Low | 72.6 | Confident | 198 Ų | 198 | 158.9 Ų | 158.9 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | -65.5 | 95.8 | 164.3 | -69.8 | -88.1 | -173.7 | 171.9 | 0 | 104 | K3 K7 | K3-K5 PolarHBondContact O-N 3.41Å; K5-K7 PolarHBondContact O-N 3.39Å; K5-K7 VanDerWaalsContact O-N 3.11Å |
| 6 | G | 67.6 | Low | 73.4 | Confident | 58 Ų | 58 | 156.5 Ų | 156.5 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | | | trans | -49.8 | 119.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A4 T8 | A4-G6 PolarHBondContact O-N 3.06Å; G6-T8 PolarHBondContact O-N 3.12Å |
| 7 | K | 70 | Confident | 73.9 | Confident | 212 Ų | 212 | 150.6 Ų | 150.6 | 92% | 0.922 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -65.1 | 8.1 | -172.5 | -67.2 | -176.7 | 178.1 | -179.6 | 0 | 114 | K5 | K5-K7 PolarHBondContact O-N 3.39Å; K5-K7 VanDerWaalsContact O-N 3.11Å |
| 8 | T | 68.8 | Low | 74.7 | Confident | 130 Ų | 130 | 147.8 Ų | 147.8 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | | | trans | -148.5 | 100.4 | 177.9 | 42 | 0 | 0 | 0 | 0 | 110.1 | G6 | G6-T8 PolarHBondContact O-N 3.12Š|
| 9 | R | 70.4 | Confident | 75.1 | Confident | 202 Ų | 202 | 149.5 Ų | 149.5 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | trans | -71.1 | 128.9 | 166.3 | -167.3 | 176.5 | 79.3 | -179.6 | 4 | 108.1 | Q11 | R9-Q11 PolarHBondContact O-N 3.18Š|
| 10 | R | 73.8 | Confident | 75.7 | Confident | 231 Ų | 231 | 150.2 Ų | 150.2 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | | | trans | -56.1 | 112.2 | 174 | -175.9 | 178.1 | -179.5 | -136.1 | 2.2 | 109.1 | | |
| 11 | Q | 74.7 | Confident | 76.3 | Confident | 115 Ų | 115 | 151.4 Ų | 151.4 | 54% | 0.537 | 74% | 0.736 | S | S | . | * | | | trans | -75 | 130.1 | 176.6 | -64.3 | -64.7 | -14.7 | 0 | 0 | 109.2 | R9 F13 | R9-Q11 PolarHBondContact O-N 3.18Å; Q11-F13 HydrophobicContact CB-CZ 4.38Å; Q11-F13 PolarHBondContact O-N 3.14Å |
| 12 | K | 78.8 | Confident | 77.4 | Confident | 204 Ų | 204 | 144.3 Ų | 144.3 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | | | trans | -80.7 | 114.4 | 172.2 | -67.5 | -166 | -179.2 | -174.4 | 0 | 107.5 | | |
| 13 | F | 77.9 | Confident | 78.1 | Confident | 119 Ų | 119 | 142.5 Ų | 142.5 | 52% | 0.522 | 69% | 0.685 | S | S | . | * | | | trans | -82.9 | 141.5 | 175.2 | -60.9 | -74.6 | 0 | 0 | 0 | 110 | Q11 V17 L22 | Q11-F13 HydrophobicContact CB-CZ 4.38Å; Q11-F13 PolarHBondContact O-N 3.14Å; F13-V17 HydrophobicContact CB-CB 4.15Å; F13-V17 HydrophobicContact CB-CG1 4.36Å; F13-V17 HydrophobicContact CB-CG2 4.26Å; F13-V17 HydrophobicContact CD1-CG1 4.27Å; F13-L22 HydrophobicContact CD1-CD2 4.05Å; F13-L22 HydrophobicContact CE1-CD2 3.47Å; F13-L22 VanDerWaalsContact CE1-CD2 3.47Å; F13-L22 HydrophobicContact CE2-CD2 4.07Å; F13-L22 HydrophobicContact CZ-CD2 3.48Å; F13-L22 VanDerWaalsContact CZ-CD2 3.48Å |
| 14 | G | 84.4 | Confident | 78.9 | Confident | 45 Ų | 45 | 142 Ų | 142 | 46% | 0.464 | 68% | 0.678 | S | S | . | * | | | trans | -65.7 | 158.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | S16 V17 | G14-S16 PolarHBondContact O-N 3.18Å; G14-V17 WeakPolarHBondContact O-CB 3.48Å; G14-V17 WeakPolarHBondContact O-CG2 3.41Å; G14-V17 PolarHBondContact O-N 2.84Å |
| 15 | Y | 82.6 | Confident | 79.5 | Confident | 244 Ų | 244 | 140.6 Ų | 140.6 | 96% | 0.957 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -23.6 | -175.6 | -67 | -73.5 | 0 | 0 | 0 | 114.1 | V17 | Y15-V17 VanDerWaalsContact C-N 3.25Å; Y15-V17 PolarHBondContact O-N 3.29Å |
| 16 | S | 84.7 | Confident | 80.2 | Confident | 121 Ų | 121 | 133.8 Ų | 133.8 | 85% | 0.846 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -12.4 | 175.9 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | G14 N18 | G14-S16 PolarHBondContact O-N 3.18Å; S16-N18 PolarHBondContact O-N 3.18Å |
| 17 | V | 82.6 | Confident | 80.7 | Confident | 56 Ų | 56 | 140.3 Ų | 140.3 | 34% | 0.339 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -79 | 119.9 | -176.9 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | F13 G14 Y15 R19 | F13-V17 HydrophobicContact CB-CB 4.15Å; F13-V17 HydrophobicContact CB-CG1 4.36Å; F13-V17 HydrophobicContact CB-CG2 4.26Å; F13-V17 HydrophobicContact CD1-CG1 4.27Å; G14-V17 WeakPolarHBondContact O-CB 3.48Å; G14-V17 WeakPolarHBondContact O-CG2 3.41Å; G14-V17 PolarHBondContact O-N 2.84Å; Y15-V17 VanDerWaalsContact C-N 3.25Å; Y15-V17 PolarHBondContact O-N 3.29Å; V17-R19 VanDerWaalsContact C-N 3.33Å; V17-R19 PolarHBondContact O-N 2.96Å |
| 18 | N | 87.5 | Confident | 81.1 | Confident | 101 Ų | 101 | 137.7 Ų | 137.7 | 54% | 0.54 | 63% | 0.629 | S | S | . | * | | | trans | -70.8 | 87.9 | 172.8 | -169.4 | -34.8 | 0 | 0 | 0 | 111.1 | S16 K20 R21 L22 | S16-N18 PolarHBondContact O-N 3.18Å; N18-K20 PolarHBondContact O-N 3.3Å; N18-K20 PolarHBondContact OD1-N 3.49Å; N18-R21 HydrophobicContact CB-CB 4.29Å; N18-R21 PolarHBondContact O-N 3.09Å; N18-R21 VanDerWaalsContact O-N 3.14Å; N18-R21 PolarHBondContact OD1-N 3.43Å; N18-L22 PolarHBondContact O-N 3.43Å |
| 19 | R | 83.4 | Confident | 81.4 | Confident | 180 Ų | 180 | 140.4 Ų | 140.4 | 68% | 0.679 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -55.5 | -34.3 | -178 | -54.7 | -173.1 | -50.6 | -154.3 | 3.1 | 112.9 | V17 L22 N23 | V17-R19 VanDerWaalsContact C-N 3.33Å; V17-R19 PolarHBondContact O-N 2.96Å; R19-L22 PolarHBondContact O-N 3.46Å; R19-N23 PolarHBondContact O-N 3.24Å; R19-N23 VanDerWaalsContact O-N 3.09Å; R19-N23 PolarHBondContact O-ND2 3.05Å |
| 20 | K | 87.3 | Confident | 81.2 | Confident | 162 Ų | 162 | 134.6 Ų | 134.6 | 70% | 0.704 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.4 | -45.4 | -179.9 | -68 | -175.9 | 178.9 | 178.8 | 0 | 110.8 | N18 R24 | N18-K20 PolarHBondContact O-N 3.3Å; N18-K20 PolarHBondContact OD1-N 3.49Å; K20-R24 WeakPolarHBondContact O-CG 3.42Å; K20-R24 PolarHBondContact O-N 3.2Å |
| 21 | R | 87.8 | Confident | 80.9 | Confident | 176 Ų | 176 | 126.4 Ų | 126.4 | 66% | 0.664 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.4 | -41.9 | 178.2 | -168.8 | 175.9 | -177.5 | -177.1 | -0.7 | 111.6 | N18 R24 N25 | N18-R21 HydrophobicContact CB-CB 4.29Å; N18-R21 PolarHBondContact O-N 3.09Å; N18-R21 VanDerWaalsContact O-N 3.14Å; N18-R21 PolarHBondContact OD1-N 3.43Å; R21-R24 PolarHBondContact O-N 3.49Å; R21-N25 PolarHBondContact O-N 3.47Å; R21-N25 VanDerWaalsContact O-N 3.12Å |
| 22 | L | 85.7 | Confident | 80.4 | Confident | 68 Ų | 68 | 125.8 Ų | 125.8 | 36% | 0.356 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.9 | -47.5 | 178.8 | -173.9 | 67.5 | 0 | 0 | 0 | 112.3 | F13 N18 R19 R24 N25 A26 | F13-L22 HydrophobicContact CD1-CD2 4.05Å; F13-L22 HydrophobicContact CE1-CD2 3.47Å; F13-L22 VanDerWaalsContact CE1-CD2 3.47Å; F13-L22 HydrophobicContact CE2-CD2 4.07Å; F13-L22 HydrophobicContact CZ-CD2 3.48Å; F13-L22 VanDerWaalsContact CZ-CD2 3.48Å; N18-L22 PolarHBondContact O-N 3.43Å; R19-L22 PolarHBondContact O-N 3.46Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3Å; L22-N25 PolarHBondContact O-N 2.95Å; L22-A26 PolarHBondContact O-N 2.94Å |
| 23 | N | 84.3 | Confident | 79.7 | Confident | 94 Ų | 94 | 125.8 Ų | 125.8 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.1 | -36.5 | -180 | -72.7 | -16.1 | 0 | 0 | 0 | 112.6 | R19 A26 R27 | R19-N23 PolarHBondContact O-N 3.24Å; R19-N23 VanDerWaalsContact O-N 3.09Å; R19-N23 PolarHBondContact O-ND2 3.05Å; N23-A26 PolarHBondContact O-N 3.27Å; N23-R27 WeakPolarHBondContact O-CG 3.35Å; N23-R27 PolarHBondContact O-N 2.9Å |
| 24 | R | 85.9 | Confident | 78.7 | Confident | 168 Ų | 168 | 126.2 Ų | 126.2 | 63% | 0.634 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.6 | -42.9 | 173.6 | -72.8 | 177.1 | -175.1 | 171.2 | 0 | 111.6 | K20 R21 L22 R27 R28 | K20-R24 WeakPolarHBondContact O-CG 3.42Å; K20-R24 PolarHBondContact O-N 3.2Å; R21-R24 PolarHBondContact O-N 3.49Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3Å; R24-R27 PolarHBondContact O-N 3.38Å; R24-R28 WeakPolarHBondContact O-CG 3.41Å; R24-R28 PolarHBondContact O-N 2.81Å |
| 25 | N | 84.5 | Confident | 77.4 | Confident | 69 Ų | 69 | 131.2 Ų | 131.2 | 37% | 0.369 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.2 | -41 | 177.5 | -73.1 | -10.2 | 0 | 0 | 0 | 112.1 | R21 L22 R27 R28 K29 | R21-N25 PolarHBondContact O-N 3.47Å; R21-N25 VanDerWaalsContact O-N 3.12Å; L22-N25 PolarHBondContact O-N 2.95Å; N25-R27 VanDerWaalsContact C-N 3.34Å; N25-R27 PolarHBondContact O-N 3.16Å; N25-R28 PolarHBondContact O-N 3.4Å; N25-K29 WeakPolarHBondContact O-CG 3.4Å; N25-K29 PolarHBondContact O-N 3.25Å |
| 26 | A | 81.1 | Confident | 75.9 | Confident | 55 Ų | 55 | 125.1 Ų | 125.1 | 46% | 0.455 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.8 | -45 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L22 N23 K29 A30 | L22-A26 PolarHBondContact O-N 2.94Å; N23-A26 PolarHBondContact O-N 3.27Å; A26-K29 PolarHBondContact O-N 3.11Å; A26-A30 WeakPolarHBondContact O-CB 3.32Å; A26-A30 PolarHBondContact O-N 2.78Å |
| 27 | R | 78.9 | Confident | 74.5 | Confident | 194 Ų | 194 | 129.5 Ų | 129.5 | 73% | 0.732 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.8 | -39.9 | 175.7 | -71.5 | 178.7 | 179.9 | -165.4 | -1 | 113 | N23 R24 N25 K29 A30 A31 | N23-R27 WeakPolarHBondContact O-CG 3.35Å; N23-R27 PolarHBondContact O-N 2.9Å; R24-R27 PolarHBondContact O-N 3.38Å; N25-R27 VanDerWaalsContact C-N 3.34Å; N25-R27 PolarHBondContact O-N 3.16Å; R27-K29 VanDerWaalsContact C-N 3.28Å; R27-K29 PolarHBondContact O-N 2.86Å; R27-A30 PolarHBondContact O-N 3.02Å; R27-A31 WeakPolarHBondContact O-CB 3.33Å; R27-A31 PolarHBondContact O-N 2.93Å |
| 28 | R | 77.3 | Confident | 73 | Confident | 157 Ų | 157 | 133.4 Ų | 133.4 | 59% | 0.592 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.5 | -29.7 | 175.6 | -76.1 | 174.6 | 175.7 | -173.4 | -3.1 | 113.5 | R24 N25 | R24-R28 WeakPolarHBondContact O-CG 3.41Å; R24-R28 PolarHBondContact O-N 2.81Å; N25-R28 PolarHBondContact O-N 3.4Å |
| 29 | K | 75.4 | Confident | 71.1 | Confident | 187 Ų | 187 | 133 Ų | 133 | 81% | 0.813 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.5 | -30.4 | 174.9 | -69.7 | -177.9 | 178.7 | -169.8 | 0 | 112.4 | N25 A26 R27 | N25-K29 WeakPolarHBondContact O-CG 3.4Å; N25-K29 PolarHBondContact O-N 3.25Å; A26-K29 PolarHBondContact O-N 3.11Å; R27-K29 VanDerWaalsContact C-N 3.28Å; R27-K29 PolarHBondContact O-N 2.86Å |
| 30 | A | 66.9 | Low | 69.5 | Low | 81 Ų | 81 | 135.9 Ų | 135.9 | 67% | 0.669 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -82.4 | -32.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A26 R27 P32 | A26-A30 WeakPolarHBondContact O-CB 3.32Å; A26-A30 PolarHBondContact O-N 2.78Å; R27-A30 PolarHBondContact O-N 3.02Å; A30-P32 WeakPolarHBondContact O-CD 3.41Å |
| 31 | A | 67.6 | Low | 66.9 | Low | 58 Ų | 58 | 135.6 Ų | 135.6 | 48% | 0.479 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -77.9 | 119 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | R27 R33 | R27-A31 WeakPolarHBondContact O-CB 3.33Å; R27-A31 PolarHBondContact O-N 2.93Å; A31-R33 PolarHBondContact O-N 3.22Å; A31-R33 VanDerWaalsContact O-N 3.16Å |
| 32 | P | 64.7 | Low | 64.7 | Low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | | | trans | -60.2 | 123.1 | 168.3 | 26 | -31.2 | 0 | 0 | 0 | 107.5 | A30 I34 | A30-P32 WeakPolarHBondContact O-CD 3.41Å; P32-I34 HydrophobicContact CB-CG1 4.04Å; P32-I34 HydrophobicContact CG-CD1 4.27Å; P32-I34 HydrophobicContact CG-CG1 4.2Å; P32-I34 PolarHBondContact O-N 2.75Å |
| 33 | R | 62.7 | Low | 62.6 | Low | 203 Ų | 203 | 140.4 Ų | 140.4 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | | | trans | -73.9 | 77.6 | 168.7 | -67.7 | -178.7 | 179.3 | 177.8 | -2.9 | 106.8 | A31 E35 | A31-R33 PolarHBondContact O-N 3.22Å; A31-R33 VanDerWaalsContact O-N 3.16Å; R33-E35 VanDerWaalsContact C-N 3.3Å; R33-E35 PolarHBondContact O-N 3.07Å |
| 34 | I | 57.5 | Low | 60.4 | Low | 129 Ų | 129 | 145.8 Ų | 145.8 | 66% | 0.662 | 71% | 0.714 | S | S | * | * | | | trans | -68.4 | 97.9 | 172 | -56.8 | 173 | 0 | 0 | 0 | 105.1 | P32 C36 | P32-I34 HydrophobicContact CB-CG1 4.04Å; P32-I34 HydrophobicContact CG-CD1 4.27Å; P32-I34 HydrophobicContact CG-CG1 4.2Å; P32-I34 PolarHBondContact O-N 2.75Å; I34-C36 PolarHBondContact O-N 3.18Å |
| 35 | E | 57.9 | Low | 58 | Low | 149 Ų | 149 | 146.4 Ų | 146.4 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | | | trans | -69.4 | 105.6 | 161.5 | -71.6 | -168.4 | -172.6 | 0 | 0 | 106.1 | R33 R37 | R33-E35 VanDerWaalsContact C-N 3.3Å; R33-E35 PolarHBondContact O-N 3.07Å; E35-R37 PolarHBondContact O-N 2.87Å |
| 36 | C | 51.2 | Low | 55.8 | Low | 117 Ų | 117 | 148 Ų | 148 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | trans | -67.2 | 76.3 | 177 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | I34 V38 | I34-C36 PolarHBondContact O-N 3.18Å; C36-V38 VanDerWaalsContact C-N 3.35Å; C36-V38 PolarHBondContact O-N 3.11Å |
| 37 | R | 54.6 | Low | 54.2 | Low | 212 Ų | 212 | 153.6 Ų | 153.6 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | trans | -80.4 | 91.2 | 159 | -70.2 | -174 | -175.1 | -159.8 | -0.3 | 107 | E35 A39 | E35-R37 PolarHBondContact O-N 2.87Å; R37-A39 PolarHBondContact O-N 3.18Å; R37-A39 VanDerWaalsContact O-N 3.07Å |
| 38 | V | 51 | Low | 52.7 | Low | 139 Ų | 139 | 153.8 Ų | 153.8 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | | | trans | 12.3 | 85.3 | 161.7 | -166.6 | 0 | 0 | 0 | 0 | 114.5 | C36 | C36-V38 VanDerWaalsContact C-N 3.35Å; C36-V38 PolarHBondContact O-N 3.11Å |
| 39 | A | 47.3 | Very low | 51.2 | Low | 93 Ų | 93 | 155 Ų | 155 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -114.7 | 106.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | R37 L41 | R37-A39 PolarHBondContact O-N 3.18Å; R37-A39 VanDerWaalsContact O-N 3.07Å; A39-L41 PolarHBondContact O-N 3.03Å |
| 40 | R | 49.8 | Very low | 49.7 | Very low | 239 Ų | 239 | 154.5 Ų | 154.5 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | -62.8 | 101.6 | 173.3 | -85.3 | -178.5 | 178.8 | 132.9 | -1.9 | 108.8 | | |
| 41 | L | 33.7 | Very low | 48.2 | Very low | 157 Ų | 157 | 154.1 Ų | 154.1 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -144.5 | 149.2 | 155.5 | -79.3 | -174.4 | 0 | 0 | 0 | 109.6 | A39 | A39-L41 PolarHBondContact O-N 3.03Š|
| 42 | P | 40.3 | Very low | 47.1 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -72.6 | 138.1 | -153.9 | 28.6 | -33.3 | 0 | 0 | 0 | 111.6 | F44 | P42-F44 PolarHBondContact O-N 3.26Š|
| 43 | R | 42.7 | Very low | 45.6 | Very low | 226 Ų | 226 | 153.8 Ų | 153.8 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -62.8 | 117.6 | 178.6 | -63.4 | -162.5 | 176.9 | -161.7 | 4.8 | 110.2 | F45 | R43-F45 VanDerWaalsContact C-N 3.27Å; R43-F45 PolarHBondContact O-N 3.03Å |
| 44 | F | 37.3 | Very low | 44.9 | Very low | 207 Ų | 207 | 151.4 Ų | 151.4 | 91% | 0.908 | 82% | 0.821 | S | S | * | * | | | trans | -87.1 | 77 | 143.2 | -98.8 | -84.5 | 0 | 0 | 0 | 107.5 | P42 | P42-F44 PolarHBondContact O-N 3.26Š|
| 45 | F | 35.6 | Very low | 44.2 | Very low | 181 Ų | 181 | 150.5 Ų | 150.5 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -149 | 117.1 | 160 | -104.1 | -85.7 | 0 | 0 | 0 | 106 | R43 | R43-F45 VanDerWaalsContact C-N 3.27Å; R43-F45 PolarHBondContact O-N 3.03Å |
| 46 | A | 38.9 | Very low | 43.9 | Very low | 101 Ų | 101 | 147.5 Ų | 147.5 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | | | trans | -59.2 | 142.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 47 | E | 45.8 | Very low | 43.7 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | | | trans | -74.5 | 146 | -175.8 | -50.9 | -148.3 | 140.7 | 0 | 0 | 112.1 | | |
| 48 | E | 48.9 | Very low | 43.4 | Very low | 199 Ų | 199 | 146.2 Ų | 146.2 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | | | | -161.3 | 137.9 | 128.4 | -113.9 | -178 | 155.7 | 0 | 0 | 108.6 | | |
| 49 | E | 45.7 | Very low | 43.3 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | | | trans | -77.5 | 152.8 | -162.1 | -66.2 | -130.6 | 125.1 | 0 | 0 | 115.1 | G51 | E49-G51 PolarHBondContact O-N 3.42Š|
| 50 | D | 43.6 | Very low | 43.8 | Very low | 176 Ų | 176 | 148 Ų | 148 | 94% | 0.941 | 82% | 0.819 | S | S | * | * | | | trans | -68 | 115.9 | 172.5 | -73.9 | -67.7 | 0 | 0 | 0 | 111.8 | | |
| 51 | G | 35.7 | Very low | 43.5 | Very low | 74 Ų | 74 | 142 Ų | 142 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | | | trans | -137.2 | 116.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110 | E49 | E49-G51 PolarHBondContact O-N 3.42Š|
| 52 | G | 43.4 | Very low | 44.4 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | | | trans | -56.3 | 145.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 53 | G | 33.1 | Very low | 45.1 | Very low | 63 Ų | 63 | 145.9 Ų | 145.9 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | | | trans | 170.8 | 113.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T55 | G53-T55 PolarHBondContact O-N 3.15Š|
| 54 | V | 49.1 | Very low | 45.6 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | | | trans | -67.5 | 91.8 | 162.1 | -80.3 | 0 | 0 | 0 | 0 | 109 | | |
| 55 | T | 41.6 | Very low | 46.3 | Very low | 110 Ų | 110 | 145 Ų | 145 | 68% | 0.675 | 82% | 0.819 | S | S | * | * | | | trans | -138.1 | 122 | 165.8 | 53.4 | 0 | 0 | 0 | 0 | 109.9 | G53 L57 | G53-T55 PolarHBondContact O-N 3.15Å; T55-L57 PolarHBondContact O-N 3.43Å; T55-L57 VanDerWaalsContact O-N 3.15Å |
| 56 | G | 51.8 | Low | 47.2 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | | | trans | -61.6 | 116.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 57 | L | 47 | Very low | 47.9 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 70% | 0.696 | 82% | 0.817 | S | S | * | * | | | trans | -105.5 | 112.1 | 168.9 | -106.6 | 83.7 | 0 | 0 | 0 | 109.9 | T55 H59 | T55-L57 PolarHBondContact O-N 3.43Å; T55-L57 VanDerWaalsContact O-N 3.15Å; L57-H59 PolarHBondContact O-CE1 3.15Å; L57-H59 PolarHBondContact O-N 2.81Å; L57-H59 VanDerWaalsContact O-N 3.13Å; L57-H59 PolarHBondContact O-ND1 3.13Å |
| 58 | H | 48.5 | Very low | 48.3 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | | | trans | -50.3 | 106.9 | 170.4 | -167.5 | -107.8 | 0 | 0 | 0 | 110.1 | S60 | H58-S60 PolarHBondContact O-N 3.47Š|
| 59 | H | 49.9 | Very low | 48.5 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | | | trans | -80 | 76.4 | 173.5 | -66.8 | 62.3 | 0 | 0 | 0 | 108.6 | L57 C61 | L57-H59 PolarHBondContact O-CE1 3.15Å; L57-H59 PolarHBondContact O-N 2.81Å; L57-H59 VanDerWaalsContact O-N 3.13Å; L57-H59 PolarHBondContact O-ND1 3.13Å; H59-C61 PolarHBondContact O-N 2.95Å; H59-C61 VanDerWaalsContact O-N 3.15Å |
| 60 | S | 56.2 | Low | 48.9 | Very low | 89 Ų | 89 | 148 Ų | 148 | 62% | 0.622 | 83% | 0.833 | S | S | * | * | | | trans | -71.5 | 101.4 | 162.6 | 48.4 | 0 | 0 | 0 | 0 | 108.1 | H58 | H58-S60 PolarHBondContact O-N 3.47Š|
| 61 | C | 44.1 | Very low | 49.2 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | | | trans | -54 | 128.4 | 168.6 | -63.7 | 0 | 0 | 0 | 0 | 109.4 | H59 R63 | H59-C61 PolarHBondContact O-N 2.95Å; H59-C61 VanDerWaalsContact O-N 3.15Å; C61-R63 PolarHBondContact O-N 3.11Å; C61-R63 VanDerWaalsContact O-N 3.11Å |
| 62 | P | 53.6 | Low | 49.9 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | | | trans | -69.6 | 113.9 | 169.2 | 27.6 | -29 | 0 | 0 | 0 | 107.5 | L64 | P62-L64 PolarHBondContact O-N 3.24Å; P62-L64 VanDerWaalsContact O-N 3.1Å |
| 63 | R | 55.1 | Low | 50.2 | Low | 235 Ų | 235 | 153.8 Ų | 153.8 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | | | trans | -60.2 | 114.5 | 164.3 | -76.3 | -177.3 | 178.3 | 161.8 | 0.1 | 106.6 | C61 R65 | C61-R63 PolarHBondContact O-N 3.11Å; C61-R63 VanDerWaalsContact O-N 3.11Å; R63-R65 PolarHBondContact O-N 3.1Å |
| 64 | L | 52.2 | Low | 51.2 | Low | 173 Ų | 173 | 159.1 Ų | 159.1 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | | | trans | -50.1 | 102.7 | 165.4 | -75.9 | 157.4 | 0 | 0 | 0 | 107.8 | P62 R66 | P62-L64 PolarHBondContact O-N 3.24Å; P62-L64 VanDerWaalsContact O-N 3.1Å; L64-R66 PolarHBondContact O-N 2.86Å |
| 65 | R | 52.2 | Low | 51.4 | Low | 242 Ų | 242 | 159.5 Ų | 159.5 | 91% | 0.913 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 117.4 | 169.8 | -76.7 | -172.9 | 177 | -167.2 | -0.1 | 106.1 | R63 | R63-R65 PolarHBondContact O-N 3.1Š|
| 66 | R | 55.2 | Low | 52 | Low | 234 Ų | 234 | 162.8 Ų | 162.8 | 88% | 0.883 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 137.5 | 167.2 | -68 | -175.9 | -176.7 | 177.7 | 0.3 | 108 | L64 | L64-R66 PolarHBondContact O-N 2.86Š|
| 67 | P | 53.3 | Low | 52 | Low | 108 Ų | 108 | 168.2 Ų | 168.2 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 146.6 | 169.5 | 28.7 | -31.6 | 0 | 0 | 0 | 109.4 | | |
| 68 | P | 54.4 | Low | 52.4 | Low | 121 Ų | 121 | 170.9 Ų | 170.9 | 79% | 0.786 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 133.3 | 172.7 | 28.2 | -31.5 | 0 | 0 | 0 | 109.6 | Q70 | P68-Q70 PolarHBondContact O-N 3.39Š|
| 69 | D | 53.3 | Low | 52.7 | Low | 168 Ų | 168 | 171.1 Ų | 171.1 | 90% | 0.898 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 125.7 | 170.3 | -57.3 | -61.7 | 0 | 0 | 0 | 109 | | |
| 70 | Q | 53.3 | Low | 53 | Low | 268 Ų | 268 | 170.3 Ų | 170.3 | 100% | 1.252 | 86% | 0.855 | S | S | * | * | | | trans | -101.3 | 0 | 160.9 | -80.4 | -160.2 | 68.6 | 0 | 0 | 108.7 | P68 | P68-Q70 PolarHBondContact O-N 3.39Š|