| 1 | M | 55.9 | Low | 76.2 | Confident | 238 Ų | 238 | 144.9 Ų | 144.9 | 100% | 1.172 | 75% | 0.745 | S | S | * | * | | | | 0 | 99.3 | 0 | -159.4 | 159.1 | 79.5 | 0 | 0 | 106.7 | G3 | M1-G3 PolarHBondContact O-N 3.25Š|
| 2 | N | 70.3 | Confident | 76.6 | Confident | 172 Ų | 172 | 144.9 Ų | 144.9 | 92% | 0.92 | 74% | 0.739 | S | S | * | * | | | trans | -86 | 89 | 177.4 | -81.2 | -59 | 0 | 0 | 0 | 107.6 | R4 | N2-R4 PolarHBondContact O-N 3.23Š|
| 3 | G | 72.8 | Confident | 77 | Confident | 65 Ų | 65 | 141.2 Ų | 141.2 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | | | trans | -66.1 | 114 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | M1 V5 | M1-G3 PolarHBondContact O-N 3.25Å; G3-V5 PolarHBondContact O-N 3.4Å |
| 4 | R | 76.2 | Confident | 77.4 | Confident | 229 Ų | 229 | 135.8 Ų | 135.8 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | | | trans | -62.7 | 130.4 | 166.5 | -75.8 | -176 | -179 | 175.7 | 0.7 | 107.3 | N2 | N2-R4 PolarHBondContact O-N 3.23Š|
| 5 | V | 76.6 | Confident | 77.6 | Confident | 113 Ų | 113 | 133.7 Ų | 133.7 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | | | trans | -86.5 | 110.3 | 171.5 | 177.2 | 0 | 0 | 0 | 0 | 106.1 | G3 Y7 | G3-V5 PolarHBondContact O-N 3.4Å; V5-Y7 VanDerWaalsContact CG1-O 3.24Å; V5-Y7 WeakPolarHBondContact CG1-O 3.24Å; V5-Y7 PolarHBondContact O-N 3.39Å |
| 6 | D | 79.3 | Confident | 77.8 | Confident | 130 Ų | 130 | 133.9 Ų | 133.9 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -71.6 | -18.1 | -176.8 | -66.6 | -70.1 | 0 | 0 | 0 | 112.7 | | |
| 7 | Y | 75.3 | Confident | 77.5 | Confident | 178 Ų | 178 | 132.9 Ų | 132.9 | 70% | 0.698 | 69% | 0.686 | S | S | * | * | | | trans | -159.9 | 134.3 | 179.8 | 23.1 | -91.1 | 0 | 0 | 0 | 111.9 | V5 | V5-Y7 VanDerWaalsContact CG1-O 3.24Å; V5-Y7 WeakPolarHBondContact CG1-O 3.24Å; V5-Y7 PolarHBondContact O-N 3.39Å |
| 8 | L | 82.8 | Confident | 77.3 | Confident | 160 Ų | 160 | 133.9 Ų | 133.9 | 84% | 0.838 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 116.5 | 164.3 | -98.4 | 89.5 | 0 | 0 | 0 | 108.1 | | |
| 9 | V | 82.3 | Confident | 76.8 | Confident | 81 Ų | 81 | 129.4 Ų | 129.4 | 49% | 0.491 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -92.4 | 128.4 | 170.4 | -171.3 | 0 | 0 | 0 | 0 | 108.3 | E13 I14 | V9-E13 HydrophobicContact CG1-CB 4.02Å; V9-I14 HydrophobicContact CG1-CG1 3.67Å; V9-I14 HydrophobicContact CG1-CD1 4.16Å |
| 10 | T | 84.7 | Confident | 76.6 | Confident | 66 Ų | 66 | 129.4 Ų | 129.4 | 41% | 0.405 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -81.1 | 155.6 | 178.7 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | E12 E13 I14 | T10-E12 PolarHBondContact O-N 2.88Å; T10-E13 PolarHBondContact N-OE2 3.25Å; T10-E13 PolarHBondContact O-N 3.36Å; T10-E13 WeakPolarHBondContact OG1-CG 3.33Å; T10-E13 PolarHBondContact OG1-N 3.25Å; T10-E13 PolarHBondContact OG1-OE2 2.88Å; T10-I14 PolarHBondContact O-N 3.27Å; T10-I14 VanDerWaalsContact O-N 3.11Å; T10-I14 WeakPolarHBondContact O-CG1 3.49Å |
| 11 | E | 82.3 | Confident | 76.1 | Confident | 162 Ų | 162 | 128 Ų | 128 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -58.6 | -32.1 | 173.2 | -66.8 | -171.5 | 91.5 | 0 | 0 | 111.8 | I14 N15 | E11-I14 PolarHBondContact O-N 2.81Å; E11-N15 WeakPolarHBondContact O-CB 3.45Å; E11-N15 PolarHBondContact O-N 3.42Å; E11-N15 PolarHBondContact O-ND2 3.38Å |
| 12 | E | 80.8 | Confident | 76.5 | Confident | 145 Ų | 145 | 119.2 Ų | 119.2 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -62.5 | -49.4 | 175.6 | -174.9 | 172.6 | 85.3 | 0 | 0 | 112.1 | T10 I14 N15 L16 | T10-E12 PolarHBondContact O-N 2.88Å; E12-I14 VanDerWaalsContact C-N 3.3Å; E12-I14 PolarHBondContact O-N 2.87Å; E12-N15 PolarHBondContact O-N 3.11Å; E12-N15 VanDerWaalsContact O-N 3.17Å; E12-L16 HydrophobicContact CG-CD1 4.27Å; E12-L16 VanDerWaalsContact O-CG 3.32Å; E12-L16 WeakPolarHBondContact O-CG 3.28Å; E12-L16 PolarHBondContact O-N 3.4Å |
| 13 | E | 82 | Confident | 76 | Confident | 97 Ų | 97 | 120 Ų | 120 | 45% | 0.453 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -62.7 | -36.1 | 176.3 | -77.3 | 169.3 | 92.9 | 0 | 0 | 112.6 | V9 T10 L16 T17 | V9-E13 HydrophobicContact CG1-CB 4.02Å; T10-E13 PolarHBondContact N-OE2 3.25Å; T10-E13 PolarHBondContact O-N 3.36Å; T10-E13 WeakPolarHBondContact OG1-CG 3.33Å; T10-E13 PolarHBondContact OG1-N 3.25Å; T10-E13 PolarHBondContact OG1-OE2 2.88Å; E13-L16 PolarHBondContact O-N 3.25Å; E13-T17 WeakPolarHBondContact O-CG2 3.5Å; E13-T17 PolarHBondContact O-OG1 3.17Å; E13-T17 PolarHBondContact O-N 3.11Å; E13-T17 VanDerWaalsContact O-N 3.11Å |
| 14 | I | 82.8 | Confident | 75.4 | Confident | 65 Ų | 65 | 128.5 Ų | 128.5 | 33% | 0.333 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -66.1 | -42.1 | 175.3 | -65.7 | 164.1 | 0 | 0 | 0 | 110.4 | V9 T10 E11 E12 L16 T17 R18 | V9-I14 HydrophobicContact CG1-CG1 3.67Å; V9-I14 HydrophobicContact CG1-CD1 4.16Å; T10-I14 PolarHBondContact O-N 3.27Å; T10-I14 VanDerWaalsContact O-N 3.11Å; T10-I14 WeakPolarHBondContact O-CG1 3.49Å; E11-I14 PolarHBondContact O-N 2.81Å; E12-I14 VanDerWaalsContact C-N 3.3Å; E12-I14 PolarHBondContact O-N 2.87Å; I14-L16 VanDerWaalsContact C-N 3.34Å; I14-T17 PolarHBondContact O-N 3.46Å; I14-T17 PolarHBondContact O-OG1 2.91Å; I14-R18 HydrophobicContact CG2-CG 4.39Å; I14-R18 VanDerWaalsContact O-CB 3.28Å; I14-R18 WeakPolarHBondContact O-CB 3.33Å; I14-R18 WeakPolarHBondContact O-CG 3.44Å; I14-R18 PolarHBondContact O-N 2.94Å |
| 15 | N | 79.5 | Confident | 74.9 | Confident | 105 Ų | 105 | 122.8 Ų | 122.8 | 56% | 0.561 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.3 | -30.8 | 179.8 | -70.5 | -31.2 | 0 | 0 | 0 | 112.4 | E11 E12 | E11-N15 WeakPolarHBondContact O-CB 3.45Å; E11-N15 PolarHBondContact O-N 3.42Å; E11-N15 PolarHBondContact O-ND2 3.38Å; E12-N15 PolarHBondContact O-N 3.11Å; E12-N15 VanDerWaalsContact O-N 3.17Å |
| 16 | L | 80.7 | Confident | 74.3 | Confident | 136 Ų | 136 | 127.5 Ų | 127.5 | 71% | 0.712 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.1 | -37 | 174.2 | -72.5 | 168.9 | 0 | 0 | 0 | 112.7 | E12 E13 I14 | E12-L16 HydrophobicContact CG-CD1 4.27Å; E12-L16 VanDerWaalsContact O-CG 3.32Å; E12-L16 WeakPolarHBondContact O-CG 3.28Å; E12-L16 PolarHBondContact O-N 3.4Å; E13-L16 PolarHBondContact O-N 3.25Å; I14-L16 VanDerWaalsContact C-N 3.34Å |
| 17 | T | 73.8 | Confident | 73.8 | Confident | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.724 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -89.2 | -25.7 | -177.1 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | E13 I14 G19 | E13-T17 WeakPolarHBondContact O-CG2 3.5Å; E13-T17 PolarHBondContact O-OG1 3.17Å; E13-T17 PolarHBondContact O-N 3.11Å; E13-T17 VanDerWaalsContact O-N 3.11Å; I14-T17 PolarHBondContact O-N 3.46Å; I14-T17 PolarHBondContact O-OG1 2.91Å; T17-G19 PolarHBondContact O-N 2.96Å |
| 18 | R | 72.8 | Confident | 73.6 | Confident | 150 Ų | 150 | 127.6 Ų | 127.6 | 57% | 0.566 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -69.7 | 83.2 | 163 | -81.1 | 170.5 | 66.4 | 162.1 | -3.2 | 108.1 | I14 | I14-R18 HydrophobicContact CG2-CG 4.39Å; I14-R18 VanDerWaalsContact O-CB 3.28Å; I14-R18 WeakPolarHBondContact O-CB 3.33Å; I14-R18 WeakPolarHBondContact O-CG 3.44Å; I14-R18 PolarHBondContact O-N 2.94Å |
| 19 | G | 68.7 | Low | 73 | Confident | 49 Ų | 49 | 127.3 Ų | 127.3 | 51% | 0.505 | 66% | 0.659 | S | S | . | * | | | trans | -45.2 | 162.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T17 S21 | T17-G19 PolarHBondContact O-N 2.96Å; G19-S21 PolarHBondContact O-N 3.19Å |
| 20 | P | 72.3 | Confident | 72.3 | Confident | 129 Ų | 129 | 128.7 Ų | 128.7 | 84% | 0.838 | 67% | 0.669 | S | S | * | * | | | trans | -40.6 | 108.8 | -165 | 14.9 | -30.5 | 0 | 0 | 0 | 112.2 | G22 | P20-G22 PolarHBondContact O-N 3.24Š|
| 21 | S | 66.2 | Low | 71.6 | Confident | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 81.8 | -175.9 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | G19 | G19-S21 PolarHBondContact O-N 3.19Š|
| 22 | G | 64.6 | Low | 70.9 | Confident | 55 Ų | 55 | 126.2 Ų | 126.2 | 57% | 0.567 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.4 | -0.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | P20 | P20-G22 PolarHBondContact O-N 3.24Š|
| 23 | K | 60.8 | Low | 70.2 | Confident | 188 Ų | 188 | 125.1 Ų | 125.1 | 82% | 0.817 | 69% | 0.689 | S | S | * | * | | | trans | -148.4 | 60.8 | 177.4 | -51.3 | -75.5 | 167.5 | -171.5 | 0 | 110.6 | P25 | K23-P25 WeakPolarHBondContact O-CD 3.45Å; K23-P25 VanDerWaalsContact O-N 3.15Å |
| 24 | W | 59.5 | Low | 69.5 | Low | 244 Ų | 244 | 123.5 Ų | 123.5 | 92% | 0.924 | 70% | 0.698 | S | S | * | * | | | trans | -61.7 | 115.5 | 145.6 | -70.5 | 103.1 | 0 | 0 | 0 | 104.2 | R26 | W24-R26 PolarHBondContact O-N 2.82Š|
| 25 | P | 64.5 | Low | 68.9 | Low | 109 Ų | 109 | 126.2 Ų | 126.2 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 117.8 | 174.2 | 22.3 | -29.9 | 0 | 0 | 0 | 104.6 | K23 P27 | K23-P25 WeakPolarHBondContact O-CD 3.45Å; K23-P25 VanDerWaalsContact O-N 3.15Å; P25-P27 WeakPolarHBondContact O-CD 3.21Å |
| 26 | R | 65.7 | Low | 68.2 | Low | 212 Ų | 212 | 127.2 Ų | 127.2 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -46.4 | 124.2 | 172.7 | -169.9 | -172.7 | 178.8 | 155.4 | 0.9 | 104.3 | W24 K28 | W24-R26 PolarHBondContact O-N 2.82Å; R26-K28 PolarHBondContact O-N 2.87Å |
| 27 | P | 68.8 | Low | 67.7 | Low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 117 | 173.1 | -22.9 | 30.6 | 0 | 0 | 0 | 104.7 | P25 E29 | P25-P27 WeakPolarHBondContact O-CD 3.21Å; P27-E29 PolarHBondContact O-N 2.81Å |
| 28 | K | 70.9 | Confident | 67.3 | Low | 201 Ų | 201 | 131.4 Ų | 131.4 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | | | trans | -59.1 | 104.4 | 173.7 | 178.5 | 161.1 | 176.6 | 163.3 | 0 | 102.4 | R26 P30 | R26-K28 PolarHBondContact O-N 2.87Å; K28-P30 WeakPolarHBondContact O-CD 3.32Å |
| 29 | E | 69 | Low | 67.3 | Low | 153 Ų | 153 | 132.6 Ų | 132.6 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | | | trans | -45.7 | 117.8 | -179.3 | -174.4 | 160 | 79.1 | 0 | 0 | 104.9 | P27 A31 | P27-E29 PolarHBondContact O-N 2.81Å; E29-A31 PolarHBondContact O-N 2.95Å |
| 30 | P | 68.5 | Low | 67.2 | Low | 111 Ų | 111 | 139.4 Ų | 139.4 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | | | trans | -55.9 | 119 | 177.3 | 21.2 | -28.8 | 0 | 0 | 0 | 104 | K28 A32 | K28-P30 WeakPolarHBondContact O-CD 3.32Å; P30-A32 PolarHBondContact O-N 2.84Å |
| 31 | A | 68.8 | Low | 66.9 | Low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | -48.1 | 114.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | E29 P33 | E29-A31 PolarHBondContact O-N 2.95Å; A31-P33 VanDerWaalsContact O-N 3.08Å |
| 32 | A | 67.6 | Low | 67 | Low | 83 Ų | 83 | 142.1 Ų | 142.1 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | | | trans | -50.1 | 126 | -175.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | P30 G34 | P30-A32 PolarHBondContact O-N 2.84Å; A32-G34 PolarHBondContact O-N 2.76Å |
| 33 | P | 67.1 | Low | 67.1 | Low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | trans | -55.7 | 112.3 | 177.7 | 21.3 | -29 | 0 | 0 | 0 | 105 | A31 C35 | A31-P33 VanDerWaalsContact O-N 3.08Å; P33-C35 PolarHBondContact O-N 2.91Å |
| 34 | G | 67.5 | Low | 67.5 | Low | 64 Ų | 64 | 144.5 Ų | 144.5 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | | | trans | -47.7 | 117.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | A32 C36 | A32-G34 PolarHBondContact O-N 2.76Å; G34-C36 PolarHBondContact O-N 2.83Å |
| 35 | C | 69.4 | Low | 68 | Low | 121 Ų | 121 | 138.3 Ų | 138.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -49.4 | 112.2 | 178.9 | -83.7 | 0 | 0 | 0 | 0 | 107.3 | P33 R37 | P33-C35 PolarHBondContact O-N 2.91Å; C35-R37 VanDerWaalsContact C-N 3.35Å; C35-R37 PolarHBondContact O-N 2.88Å |
| 36 | C | 64.8 | Low | 68.2 | Low | 127 Ų | 127 | 140.3 Ų | 140.3 | 86% | 0.858 | 82% | 0.818 | S | S | * | * | | | trans | -54 | 102.7 | 172.6 | -63.5 | 0 | 0 | 0 | 0 | 107 | G34 | G34-C36 PolarHBondContact O-N 2.83Š|
| 37 | R | 70.6 | Confident | 68.4 | Low | 223 Ų | 223 | 135.1 Ų | 135.1 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | | | trans | -69.6 | 125.1 | 170.3 | -60.4 | -179.3 | 89.4 | -178.2 | 5.7 | 105.5 | C35 L39 | C35-R37 VanDerWaalsContact C-N 3.35Å; C35-R37 PolarHBondContact O-N 2.88Å; R37-L39 PolarHBondContact O-N 2.75Å |
| 38 | P | 65.9 | Low | 68.4 | Low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | trans | -61.5 | 126.7 | 169.2 | 24.2 | -29.3 | 0 | 0 | 0 | 107.7 | S40 | P38-S40 PolarHBondContact O-N 2.9Š|
| 39 | L | 71.6 | Confident | 68.2 | Low | 174 Ų | 174 | 131.8 Ų | 131.8 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | | | trans | -66.1 | 112.7 | 168.2 | -67.4 | 167.6 | 0 | 0 | 0 | 106.2 | R37 | R37-L39 PolarHBondContact O-N 2.75Š|
| 40 | S | 67.1 | Low | 68.1 | Low | 193 Ų | 193 | 129.9 Ų | 129.9 | 100% | 1.35 | 83% | 0.834 | S | S | * | * | | | trans | -61.2 | 0 | 169.2 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | P38 | P38-S40 PolarHBondContact O-N 2.9Š|