| 1 | M | 66.2 | Low | 68.7 | Low | 214 Ų | 214 | 171.5 Ų | 171.5 | 100% | 1.054 | 75% | 0.752 | S | S | * | * | | | | 0 | 103.7 | 0 | -151 | 176.8 | -179.1 | 0 | 0 | 108.1 | R3 | M1-R3 PolarHBondContact O-N 2.88Š|
| 2 | L | 65 | Low | 68.4 | Low | 139 Ų | 139 | 161.4 Ų | 161.4 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | | | trans | -76.6 | 80.2 | -167.2 | -76 | 151.9 | 0 | 0 | 0 | 111.8 | R4 L5 | L2-R4 PolarHBondContact O-N 3.24Å; L2-L5 HydrophobicContact CB-CD1 3.74Å; L2-L5 HydrophobicContact CB-CD2 4.48Å; L2-L5 HydrophobicContact CB-CG 3.88Å; L2-L5 HydrophobicContact CD1-CD1 4.13Å |
| 3 | R | 68 | Low | 67.8 | Low | 206 Ų | 206 | 158 Ų | 158 | 78% | 0.777 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 24.2 | -172.7 | -64.8 | -172.2 | -70.3 | -101.4 | 1.9 | 116.5 | M1 | M1-R3 PolarHBondContact O-N 2.88Š|
| 4 | R | 69.4 | Low | 67.4 | Low | 196 Ų | 196 | 157.1 Ų | 157.1 | 74% | 0.74 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.9 | 7.3 | -176.2 | -61.8 | -170.6 | -61.6 | 176.2 | 2.5 | 114.6 | L2 D6 K7 | L2-R4 PolarHBondContact O-N 3.24Å; R4-D6 PolarHBondContact O-N 3.18Å; R4-K7 PolarHBondContact O-N 3.34Å |
| 5 | L | 68.2 | Low | 66.8 | Low | 93 Ų | 93 | 160 Ų | 160 | 49% | 0.487 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -68.7 | -22.9 | 179.2 | -61.5 | 178.1 | 0 | 0 | 0 | 111.7 | L2 K7 I8 | L2-L5 HydrophobicContact CB-CD1 3.74Å; L2-L5 HydrophobicContact CB-CD2 4.48Å; L2-L5 HydrophobicContact CB-CG 3.88Å; L2-L5 HydrophobicContact CD1-CD1 4.13Å; L5-K7 PolarHBondContact O-N 2.93Å; L5-I8 HydrophobicContact CD2-CD1 3.86Å; L5-I8 WeakPolarHBondContact O-CB 3.49Å; L5-I8 PolarHBondContact O-N 2.98Å |
| 6 | D | 67.1 | Low | 66.2 | Low | 132 Ų | 132 | 157.4 Ų | 157.4 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -64.1 | -17.7 | 175.6 | -4.7 | -53.8 | 0 | 0 | 0 | 112.9 | R4 | R4-D6 PolarHBondContact O-N 3.18Š|
| 7 | K | 69.7 | Low | 65.6 | Low | 175 Ų | 175 | 156.8 Ų | 156.8 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -82.2 | -17.7 | 171.4 | -66.8 | -177.5 | 118 | 176.5 | 0 | 112.9 | R4 L5 R9 | R4-K7 PolarHBondContact O-N 3.34Å; L5-K7 PolarHBondContact O-N 2.93Å; K7-R9 PolarHBondContact O-N 2.92Å |
| 8 | I | 76.3 | Confident | 65.3 | Low | 107 Ų | 107 | 154.8 Ų | 154.8 | 55% | 0.549 | 70% | 0.704 | S | S | . | * | | | trans | -78.6 | 76 | 174.1 | -50.7 | 175.5 | 0 | 0 | 0 | 107.1 | L5 F10 | L5-I8 HydrophobicContact CD2-CD1 3.86Å; L5-I8 WeakPolarHBondContact O-CB 3.49Å; L5-I8 PolarHBondContact O-N 2.98Å; I8-F10 HydrophobicContact CG2-CD2 4.41Å; I8-F10 PolarHBondContact O-N 2.65Å; I8-F10 HydrophobicContact CG2-CE2 4.23Å |
| 9 | R | 72 | Confident | 64.9 | Low | 206 Ų | 206 | 155.3 Ų | 155.3 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | | | trans | -77.4 | 116.6 | 156.3 | -61.2 | -171.8 | -60.9 | 147.1 | -0.1 | 104.7 | K7 R11 | K7-R9 PolarHBondContact O-N 2.92Å; R9-R11 PolarHBondContact O-N 3.06Å |
| 10 | F | 66.9 | Low | 64.7 | Low | 192 Ų | 192 | 152 Ų | 152 | 84% | 0.842 | 70% | 0.701 | S | S | * | * | | | trans | -60.8 | 79.8 | 153 | -71.9 | -90.6 | 0 | 0 | 0 | 105 | I8 G12 | I8-F10 HydrophobicContact CG2-CD2 4.41Å; I8-F10 PolarHBondContact O-N 2.65Å; I8-F10 HydrophobicContact CG2-CE2 4.23Å; F10-G12 WeakPolarHBondContact O-CA 3.44Å; F10-G12 PolarHBondContact O-N 2.75Å |
| 11 | R | 66.7 | Low | 64.3 | Low | 226 Ų | 226 | 151.3 Ų | 151.3 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | | | trans | -54.3 | 103 | 166.2 | 168 | 171.9 | 150.4 | -177.9 | -7.5 | 101.6 | R9 H13 | R9-R11 PolarHBondContact O-N 3.06Å; R11-H13 PolarHBondContact O-N 2.68Å |
| 12 | G | 65.1 | Low | 63.9 | Low | 51 Ų | 51 | 146 Ų | 146 | 53% | 0.526 | 69% | 0.692 | S | S | . | * | | | trans | -42.1 | 123.8 | -163.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | F10 K14 | F10-G12 WeakPolarHBondContact O-CA 3.44Å; F10-G12 PolarHBondContact O-N 2.75Å; G12-K14 PolarHBondContact O-N 3.44Å |
| 13 | H | 60.5 | Low | 63.8 | Low | 117 Ų | 117 | 147 Ų | 147 | 54% | 0.542 | 69% | 0.693 | S | S | . | * | | | trans | -59 | 94.1 | 160.6 | -172.7 | 63 | 0 | 0 | 0 | 103.4 | R11 R15 F18 | R11-H13 PolarHBondContact O-N 2.68Å; H13-R15 PolarHBondContact O-N 2.91Å; H13-F18 AromaticContact NE2-CG 3.92Å; H13-F18 WeakPolarHBondContact NE2-CE2 3.27Å; H13-F18 AromaticContact NE2-CE2 3.04Å; H13-F18 AromaticContact CE1-CE2 3.27Å; H13-F18 WeakPolarHBondContact NE2-CD2 3.43Å; H13-F18 WeakPolarHBondContact CE1-CE2 3.04Å; H13-F18 WeakPolarHBondContact CE1-CD2 2.9Å; H13-F18 VanDerWaalsContact CE1-CD2 3.43Å; H13-F18 AromaticContact CE1-CD2 3.43Å; H13-F18 AromaticContact NE2-CD2 2.9Å |
| 14 | K | 62.6 | Low | 63.3 | Low | 145 Ų | 145 | 140.1 Ų | 140.1 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | | | trans | -65.6 | 93.1 | 171.5 | -82.6 | -160.1 | 168.6 | -165.2 | 0 | 101.7 | G12 D16 D17 | G12-K14 PolarHBondContact O-N 3.44Å; K14-D16 HydrophobicContact CB-CB 4.28Å; K14-D16 WeakPolarHBondContact CD-OD2 3.33Å; K14-D16 PolarHBondContact O-N 3.4Å; K14-D17 PolarHBondContact O-N 2.78Å; K14-D17 VanDerWaalsContact O-N 3.1Å |
| 15 | R | 58 | Low | 62.7 | Low | 201 Ų | 201 | 135.5 Ų | 135.5 | 76% | 0.758 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -56.2 | -3.9 | 170.3 | -73 | 180 | 166.2 | 128.8 | -4.8 | 111.2 | H13 D17 F18 | H13-R15 PolarHBondContact O-N 2.91Å; R15-D17 PolarHBondContact O-N 3.1Å; R15-F18 PolarHBondContact O-N 3.05Å |
| 16 | D | 57.1 | Low | 62.3 | Low | 118 Ų | 118 | 138.7 Ų | 138.7 | 63% | 0.631 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -58.3 | -29 | 167.4 | -50.7 | -42.9 | 0 | 0 | 0 | 112.9 | K14 | K14-D16 HydrophobicContact CB-CB 4.28Å; K14-D16 WeakPolarHBondContact CD-OD2 3.33Å; K14-D16 PolarHBondContact O-N 3.4Å |
| 17 | D | 57.1 | Low | 62.1 | Low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -89.3 | -7 | 173 | -65.7 | -33.3 | 0 | 0 | 0 | 112.9 | K14 R15 L19 | K14-D17 PolarHBondContact O-N 2.78Å; K14-D17 VanDerWaalsContact O-N 3.1Å; R15-D17 PolarHBondContact O-N 3.1Å; D17-L19 PolarHBondContact O-N 2.97Å; D17-L19 VanDerWaalsContact O-N 3.11Å |
| 18 | F | 59 | Low | 61.7 | Low | 121 Ų | 121 | 132.8 Ų | 132.8 | 53% | 0.531 | 69% | 0.685 | S | S | . | * | | | trans | -86.2 | 65.1 | 167.1 | -96.6 | -103 | 0 | 0 | 0 | 109.1 | H13 R15 D20 | H13-F18 AromaticContact NE2-CG 3.92Å; H13-F18 WeakPolarHBondContact NE2-CE2 3.27Å; H13-F18 AromaticContact NE2-CE2 3.04Å; H13-F18 AromaticContact CE1-CE2 3.27Å; H13-F18 WeakPolarHBondContact NE2-CD2 3.43Å; H13-F18 WeakPolarHBondContact CE1-CE2 3.04Å; H13-F18 WeakPolarHBondContact CE1-CD2 2.9Å; H13-F18 VanDerWaalsContact CE1-CD2 3.43Å; H13-F18 AromaticContact CE1-CD2 3.43Å; H13-F18 AromaticContact NE2-CD2 2.9Å; R15-F18 PolarHBondContact O-N 3.05Å; F18-D20 PolarHBondContact O-N 3.11Å |
| 19 | L | 57.4 | Low | 61.2 | Low | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 35.8 | 159.8 | -111.9 | 159.6 | 0 | 0 | 0 | 110.9 | D17 | D17-L19 PolarHBondContact O-N 2.97Å; D17-L19 VanDerWaalsContact O-N 3.11Å |
| 20 | D | 60.9 | Low | 60.9 | Low | 89 Ų | 89 | 131.4 Ų | 131.4 | 48% | 0.476 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -142.8 | 22.5 | 180 | -161.2 | 20.2 | 0 | 0 | 0 | 112 | F18 E23 | F18-D20 PolarHBondContact O-N 3.11Å; D20-E23 WeakPolarHBondContact OD1-CB 3.01Å |
| 21 | L | 57.3 | Low | 60.8 | Low | 138 Ų | 138 | 131 Ų | 131 | 72% | 0.723 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -79.1 | -8 | 161.6 | -159 | 66.3 | 0 | 0 | 0 | 111.5 | | |
| 22 | A | 58.5 | Low | 60.4 | Low | 103 Ų | 103 | 126.6 Ų | 126.6 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -87.9 | -14.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 23 | E | 61.3 | Low | 59.7 | Low | 160 Ų | 160 | 132.7 Ų | 132.7 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -118.2 | 14.3 | 177.7 | -138.7 | -172.4 | 144.2 | 0 | 0 | 113.8 | D20 P25 | D20-E23 WeakPolarHBondContact OD1-CB 3.01Å; E23-P25 VanDerWaalsContact O-CD 3.31Å; E23-P25 WeakPolarHBondContact O-CD 3.31Å |
| 24 | S | 57.3 | Low | 59.7 | Low | 60 Ų | 60 | 133.5 Ų | 133.5 | 42% | 0.42 | 75% | 0.747 | S | S | . | * | S | Bend | trans | -72.8 | 117.6 | 147.3 | 177.1 | 0 | 0 | 0 | 0 | 105.6 | N26 | S24-N26 PolarHBondContact O-N 2.89Š|
| 25 | P | 57.2 | Low | 59.5 | Low | 99 Ų | 99 | 132.9 Ų | 132.9 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | | | trans | -56.1 | 115.4 | 168 | -13.6 | 27.3 | 0 | 0 | 0 | 105.5 | E23 A27 | E23-P25 VanDerWaalsContact O-CD 3.31Å; E23-P25 WeakPolarHBondContact O-CD 3.31Å; P25-A27 PolarHBondContact O-N 2.79Å |
| 26 | N | 60.5 | Low | 59.6 | Low | 161 Ų | 161 | 129.1 Ų | 129.1 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -65.1 | 17.8 | 172.5 | -111.2 | 31.3 | 0 | 0 | 0 | 112.1 | S24 | S24-N26 PolarHBondContact O-N 2.89Š|
| 27 | A | 62.2 | Low | 59.7 | Low | 77 Ų | 77 | 129.8 Ų | 129.8 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | -112.9 | 60.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P25 D29 | P25-A27 PolarHBondContact O-N 2.79Å; A27-D29 PolarHBondContact O-N 3.33Å |
| 28 | S | 62.6 | Low | 59.9 | Low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -86.8 | 42.1 | 161.7 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 29 | D | 65.7 | Low | 60 | Low | 148 Ų | 148 | 129.2 Ų | 129.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -114.6 | 74.7 | 162.7 | -76.7 | -33.1 | 0 | 0 | 0 | 106.6 | A27 E31 | A27-D29 PolarHBondContact O-N 3.33Å; D29-E31 PolarHBondContact O-N 3.06Å |
| 30 | T | 64.8 | Low | 60.2 | Low | 135 Ų | 135 | 126.6 Ų | 126.6 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | | | trans | -70 | 96.3 | 155.9 | 42.1 | 0 | 0 | 0 | 0 | 105.9 | C32 | T30-C32 PolarHBondContact O-N 3.03Š|
| 31 | E | 64.9 | Low | 60.1 | Low | 185 Ų | 185 | 129.5 Ų | 129.5 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -47.4 | 117.4 | 164.4 | -72.6 | -168.9 | 101.9 | 0 | 0 | 107.7 | D29 S33 | D29-E31 PolarHBondContact O-N 3.06Å; E31-S33 PolarHBondContact O-N 3.02Å |
| 32 | C | 59.4 | Low | 60.3 | Low | 132 Ų | 132 | 128.8 Ų | 128.8 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | | | trans | -62.4 | 104.8 | 171.2 | -168.7 | 0 | 0 | 0 | 0 | 107.1 | T30 | T30-C32 PolarHBondContact O-N 3.03Š|
| 33 | S | 49.8 | Very low | 60.5 | Low | 180 Ų | 180 | 131.2 Ų | 131.2 | 100% | 1.259 | 79% | 0.789 | S | S | * | * | | | trans | -74 | 0 | 165.9 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | E31 | E31-S33 PolarHBondContact O-N 3.02Š|