| 1 | E | 56.6 | Low | 71.5 | Confident | 244 Ų | 244 | 148.6 Ų | 148.6 | 100% | 1.14 | 80% | 0.799 | S | S | * | * | | | | 0 | 91.7 | 0 | -159.8 | 170.7 | 104.7 | 0 | 0 | 105.3 | N3 | E1-N3 PolarHBondContact O-N 3.36Š|
| 2 | D | 66.7 | Low | 72.2 | Confident | 165 Ų | 165 | 146.8 Ų | 146.8 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | -79.8 | 104.3 | 174.8 | -101.8 | -91.3 | 0 | 0 | 0 | 106 | P4 | D2-P4 VanDerWaalsContact O-CD 3.28Å; D2-P4 WeakPolarHBondContact O-CD 3.28Å |
| 3 | N | 68.1 | Low | 72.8 | Confident | 130 Ų | 130 | 149.4 Ų | 149.4 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | | | trans | -85 | 108.8 | 172.4 | -171.8 | 2.5 | 0 | 0 | 0 | 106.9 | E1 V5 | E1-N3 PolarHBondContact O-N 3.36Å; N3-V5 PolarHBondContact O-N 2.83Å |
| 4 | P | 70.2 | Confident | 73.2 | Confident | 100 Ų | 100 | 150.9 Ų | 150.9 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | trans | -67.4 | 104.6 | 172.4 | 28.9 | -30.7 | 0 | 0 | 0 | 106.4 | D2 E6 | D2-P4 VanDerWaalsContact O-CD 3.28Å; D2-P4 WeakPolarHBondContact O-CD 3.28Å; P4-E6 PolarHBondContact O-N 2.96Å |
| 5 | V | 72.6 | Confident | 73.7 | Confident | 116 Ų | 116 | 148.8 Ų | 148.8 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | | | trans | -60.3 | 100.2 | 164.5 | 169.6 | 0 | 0 | 0 | 0 | 105 | N3 D7 | N3-V5 PolarHBondContact O-N 2.83Å; V5-D7 VanDerWaalsContact C-N 3.34Å; V5-D7 PolarHBondContact O-N 2.93Å |
| 6 | E | 69.6 | Low | 74.2 | Confident | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -65 | 102.3 | 171.9 | -70.4 | -162.4 | 95.2 | 0 | 0 | 106.5 | P4 S8 | P4-E6 PolarHBondContact O-N 2.96Å; E6-S8 PolarHBondContact O-N 3.26Å |
| 7 | D | 73.4 | Confident | 74.7 | Confident | 138 Ų | 138 | 144.3 Ų | 144.3 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -57.6 | 93.6 | 168.5 | -80.9 | -67.8 | 0 | 0 | 0 | 107.5 | V5 Q9 | V5-D7 VanDerWaalsContact C-N 3.34Å; V5-D7 PolarHBondContact O-N 2.93Å; D7-Q9 VanDerWaalsContact C-N 3.34Å; D7-Q9 PolarHBondContact O-N 2.87Å |
| 8 | S | 77.1 | Confident | 75.1 | Confident | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -66.9 | 96.8 | 178.6 | -160.6 | 0 | 0 | 0 | 0 | 107.7 | E6 V10 | E6-S8 PolarHBondContact O-N 3.26Å; S8-V10 PolarHBondContact O-N 2.79Å |
| 9 | Q | 74.6 | Confident | 75.4 | Confident | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -71.1 | 115.6 | 180 | -65.8 | -173.1 | -1.8 | 0 | 0 | 109.1 | D7 I11 | D7-Q9 VanDerWaalsContact C-N 3.34Å; D7-Q9 PolarHBondContact O-N 2.87Å; Q9-I11 PolarHBondContact O-N 3.32Å |
| 10 | V | 78.6 | Confident | 75.7 | Confident | 128 Ų | 128 | 143.6 Ų | 143.6 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -78.1 | 109.1 | 173.1 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | S8 V12 | S8-V10 PolarHBondContact O-N 2.79Å; V10-V12 HydrophobicContact CG1-CG1 4.42Å |
| 11 | I | 78.6 | Confident | 75.9 | Confident | 153 Ų | 153 | 145.3 Ų | 145.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 116.7 | 173.9 | -60.5 | 161.7 | 0 | 0 | 0 | 107.3 | Q9 | Q9-I11 PolarHBondContact O-N 3.32Š|
| 12 | V | 80.4 | Confident | 77 | Confident | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 122.7 | 173.8 | -64.5 | 0 | 0 | 0 | 0 | 109.1 | V10 | V10-V12 HydrophobicContact CG1-CG1 4.42Š|
| 13 | E | 80.3 | Confident | 77.6 | Confident | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 125.1 | 172.5 | -68.4 | -175.3 | 102.2 | 0 | 0 | 109.2 | V15 | E13-V15 PolarHBondContact O-N 3.48Š|
| 14 | E | 78.5 | Confident | 78.1 | Confident | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 122.8 | 173.7 | -171.9 | -143.3 | 112.8 | 0 | 0 | 109.2 | | |
| 15 | V | 80.7 | Confident | 78.6 | Confident | 120 Ų | 120 | 150.1 Ų | 150.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -101.5 | 108.1 | 172.3 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | E13 | E13-V15 PolarHBondContact O-N 3.48Š|
| 16 | S | 81.9 | Confident | 79 | Confident | 71 Ų | 71 | 148.6 Ų | 148.6 | 50% | 0.497 | 77% | 0.773 | S | S | . | * | | | trans | -76.2 | 122.9 | 172.8 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 17 | I | 81.3 | Confident | 79.7 | Confident | 150 Ų | 150 | 142.9 Ų | 142.9 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -103 | 111.3 | 176.4 | -51.6 | 171.2 | 0 | 0 | 0 | 107 | | |
| 18 | F | 83.3 | Confident | 79.6 | Confident | 167 Ų | 167 | 141.2 Ų | 141.2 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 134.4 | 173.5 | -67 | -83.7 | 0 | 0 | 0 | 109.6 | V20 | F18-V20 PolarHBondContact O-N 3.4Š|
| 19 | P | 80.5 | Confident | 79.5 | Confident | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 130 | 171.7 | 26.4 | -31.8 | 0 | 0 | 0 | 108.6 | E21 | P19-E21 PolarHBondContact O-N 3.32Š|
| 20 | V | 81.8 | Confident | 79 | Confident | 134 Ų | 134 | 136.4 Ų | 136.4 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 127.7 | 169.9 | 169.7 | 0 | 0 | 0 | 0 | 107.3 | F18 E22 | F18-V20 PolarHBondContact O-N 3.4Å; V20-E22 PolarHBondContact O-N 3.29Å |
| 21 | E | 79.5 | Confident | 78.4 | Confident | 179 Ų | 179 | 134.9 Ų | 134.9 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 123.8 | 171.8 | -66.5 | -177.5 | 104.5 | 0 | 0 | 109 | P19 Q23 | P19-E21 PolarHBondContact O-N 3.32Å; E21-Q23 PolarHBondContact O-N 3.16Å |
| 22 | E | 79.8 | Confident | 77.7 | Confident | 195 Ų | 195 | 133.9 Ų | 133.9 | 91% | 0.911 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 119.1 | 176 | -66.3 | -170.8 | 103.5 | 0 | 0 | 108.8 | V20 Q24 | V20-E22 PolarHBondContact O-N 3.29Å; E22-Q24 PolarHBondContact O-N 3.22Å; E22-Q24 VanDerWaalsContact O-N 3.16Å |
| 23 | Q | 77.9 | Confident | 76.7 | Confident | 195 Ų | 195 | 133.8 Ų | 133.8 | 91% | 0.911 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 116.8 | 172.9 | -64.9 | -174 | -54.1 | 0 | 0 | 108.2 | E21 E25 | E21-Q23 PolarHBondContact O-N 3.16Å; Q23-E25 PolarHBondContact O-N 3.18Å |
| 24 | Q | 79.4 | Confident | 75.8 | Confident | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 123.4 | 176 | -174.5 | 176.1 | -7.4 | 0 | 0 | 109.3 | E22 V26 | E22-Q24 PolarHBondContact O-N 3.22Å; E22-Q24 VanDerWaalsContact O-N 3.16Å; Q24-V26 PolarHBondContact O-N 3.27Å |
| 25 | E | 81.8 | Confident | 74.9 | Confident | 174 Ų | 174 | 127.5 Ų | 127.5 | 81% | 0.813 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 119.2 | 170.2 | -175.6 | 176.1 | 91.7 | 0 | 0 | 108.5 | Q23 P27 | Q23-E25 PolarHBondContact O-N 3.18Å; E25-P27 WeakPolarHBondContact O-CD 3.38Å |
| 26 | V | 80.9 | Confident | 74 | Confident | 84 Ų | 84 | 128.5 Ų | 128.5 | 51% | 0.509 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -79.3 | 119.5 | 174.3 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | Q24 Y30 L31 | Q24-V26 PolarHBondContact O-N 3.27Å; V26-Y30 HydrophobicContact CG1-CG 4.42Å; V26-L31 HydrophobicContact CG1-CD2 4.4Å; V26-L31 HydrophobicContact CG1-CG 4.5Å |
| 27 | P | 82.9 | Confident | 72.9 | Confident | 60 Ų | 60 | 129.1 Ų | 129.1 | 39% | 0.39 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 143.6 | 178.4 | -18.4 | 28.8 | 0 | 0 | 0 | 110.4 | E25 G29 Y30 | E25-P27 WeakPolarHBondContact O-CD 3.38Å; P27-G29 PolarHBondContact O-N 2.95Å; P27-Y30 PolarHBondContact O-N 2.95Å; P27-Y30 HydrophobicContact CB-CE2 4.31Å; P27-Y30 HydrophobicContact CG-CE2 3.81Å; P27-Y30 HydrophobicContact CB-CD2 3.86Å; P27-Y30 HydrophobicContact CG-CD2 3.68Å |
| 28 | P | 72.3 | Confident | 72 | Confident | 103 Ų | 103 | 129.4 Ų | 129.4 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -18.9 | -172.5 | 22.1 | -33.4 | 0 | 0 | 0 | 114.3 | | |
| 29 | G | 73.6 | Confident | 70.9 | Confident | 40 Ų | 40 | 127 Ų | 127 | 41% | 0.412 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.1 | -26.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P27 L31 M32 | P27-G29 PolarHBondContact O-N 2.95Å; G29-L31 VanDerWaalsContact C-N 3.3Å; G29-L31 PolarHBondContact O-N 3.33Å; G29-M32 PolarHBondContact O-N 3.41Å |
| 30 | Y | 65.3 | Low | 70.2 | Confident | 141 Ų | 141 | 126.7 Ų | 126.7 | 55% | 0.553 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.7 | -24.9 | -179.1 | -84.4 | -93.5 | 0 | 0 | 0 | 113 | V26 P27 M32 N34 | V26-Y30 HydrophobicContact CG1-CG 4.42Å; P27-Y30 PolarHBondContact O-N 2.95Å; P27-Y30 HydrophobicContact CB-CE2 4.31Å; P27-Y30 HydrophobicContact CG-CE2 3.81Å; P27-Y30 HydrophobicContact CB-CD2 3.86Å; P27-Y30 HydrophobicContact CG-CD2 3.68Å; Y30-M32 VanDerWaalsContact C-N 3.34Å; Y30-N34 PolarHBondContact O-OD1 3.3Å |
| 31 | L | 64.8 | Low | 69.6 | Low | 96 Ų | 96 | 131 Ų | 131 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -74.8 | -27.4 | 177.4 | -62.8 | 177.1 | 0 | 0 | 0 | 111.9 | V26 G29 M35 | V26-L31 HydrophobicContact CG1-CD2 4.4Å; V26-L31 HydrophobicContact CG1-CG 4.5Å; G29-L31 VanDerWaalsContact C-N 3.3Å; G29-L31 PolarHBondContact O-N 3.33Å; L31-M35 VanDerWaalsContact O-CG 3.29Å; L31-M35 WeakPolarHBondContact O-CG 3.29Å; L31-M35 PolarHBondContact O-N 3.22Å |
| 32 | M | 63.9 | Low | 68.8 | Low | 131 Ų | 131 | 129.5 Ų | 129.5 | 65% | 0.645 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72.8 | -44.8 | -179.6 | -66.7 | -179 | 179.1 | 0 | 0 | 111.5 | G29 Y30 N34 M35 E36 | G29-M32 PolarHBondContact O-N 3.41Å; Y30-M32 VanDerWaalsContact C-N 3.34Å; M32-N34 PolarHBondContact O-N 3.35Å; M32-M35 PolarHBondContact O-N 3.24Å; M32-E36 PolarHBondContact O-N 3.23Å; M32-E36 VanDerWaalsContact O-N 3.14Å; M32-E36 WeakPolarHBondContact O-CG 3.48Å |
| 33 | E | 60.2 | Low | 67.9 | Low | 124 Ų | 124 | 129.7 Ų | 129.7 | 58% | 0.579 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.7 | -31.6 | 177.8 | -69.5 | -176.5 | 92.2 | 0 | 0 | 112.5 | S37 | E33-S37 PolarHBondContact O-N 2.93Å; E33-S37 PolarHBondContact O-OG 3.2Å |
| 34 | N | 60.9 | Low | 67.1 | Low | 94 Ų | 94 | 129 Ų | 129 | 50% | 0.503 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -75.9 | -35.9 | 178.6 | -69.8 | 21.1 | 0 | 0 | 0 | 112.3 | Y30 M32 E36 S37 E38 | Y30-N34 PolarHBondContact O-OD1 3.3Å; M32-N34 PolarHBondContact O-N 3.35Å; N34-E36 VanDerWaalsContact C-N 3.34Å; N34-S37 PolarHBondContact O-N 3.14Å; N34-E38 PolarHBondContact O-N 3.23Å |
| 35 | M | 61.2 | Low | 66.5 | Low | 126 Ų | 126 | 126.6 Ų | 126.6 | 62% | 0.621 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.9 | -31.6 | 175.7 | -72.7 | 171.5 | 179.3 | 0 | 0 | 112.3 | L31 M32 S37 | L31-M35 VanDerWaalsContact O-CG 3.29Å; L31-M35 WeakPolarHBondContact O-CG 3.29Å; L31-M35 PolarHBondContact O-N 3.22Å; M32-M35 PolarHBondContact O-N 3.24Å; M35-S37 VanDerWaalsContact C-N 3.27Å |
| 36 | E | 60 | Low | 65.7 | Low | 141 Ų | 141 | 124.1 Ų | 124.1 | 66% | 0.659 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69 | -27.6 | 172.7 | -68.2 | -176 | 109.3 | 0 | 0 | 112.2 | M32 N34 | M32-E36 PolarHBondContact O-N 3.23Å; M32-E36 VanDerWaalsContact O-N 3.14Å; M32-E36 WeakPolarHBondContact O-CG 3.48Å; N34-E36 VanDerWaalsContact C-N 3.34Å |
| 37 | S | 60.1 | Low | 64.8 | Low | 83 Ų | 83 | 126.3 Ų | 126.3 | 58% | 0.58 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -83.9 | -18.7 | 178.8 | -57 | 0 | 0 | 0 | 0 | 114 | E33 N34 M35 | E33-S37 PolarHBondContact O-N 2.93Å; E33-S37 PolarHBondContact O-OG 3.2Å; N34-S37 PolarHBondContact O-N 3.14Å; M35-S37 VanDerWaalsContact C-N 3.27Å |
| 38 | E | 62.2 | Low | 63.7 | Low | 156 Ų | 156 | 130.2 Ų | 130.2 | 73% | 0.729 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -92.6 | -0 | 176.3 | -71.7 | -177.7 | 102.9 | 0 | 0 | 113.4 | N34 P40 | N34-E38 PolarHBondContact O-N 3.23Å; E38-P40 WeakPolarHBondContact O-CD 3.38Å |
| 39 | L | 60.2 | Low | 63.2 | Low | 118 Ų | 118 | 131.9 Ų | 131.9 | 62% | 0.618 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -62.4 | 119.4 | 167.7 | -66.3 | 177.6 | 0 | 0 | 0 | 107.5 | W41 | L39-W41 PolarHBondContact O-N 2.89Š|
| 40 | P | 66.5 | Low | 62.5 | Low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | | | trans | -56.8 | 119.9 | 173.6 | 24.6 | -31.2 | 0 | 0 | 0 | 105.9 | E38 D42 | E38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-D42 PolarHBondContact O-N 2.94Å |
| 41 | W | 67.6 | Low | 62.3 | Low | 226 Ų | 226 | 137.9 Ų | 137.9 | 86% | 0.856 | 71% | 0.712 | S | S | * | * | | | trans | -43.6 | 113.2 | 170.5 | -24.3 | 83 | 0 | 0 | 0 | 105.9 | L39 E43 | L39-W41 PolarHBondContact O-N 2.89Å; W41-E43 PolarHBondContact O-N 2.98Å |
| 42 | D | 64.4 | Low | 62.1 | Low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | | | trans | -48.5 | 114.4 | -178 | -155.6 | -103.4 | 0 | 0 | 0 | 106.8 | P40 S44 | P40-D42 PolarHBondContact O-N 2.94Å; D42-S44 VanDerWaalsContact C-N 3.35Å; D42-S44 PolarHBondContact O-N 2.86Å |
| 43 | E | 60.5 | Low | 62 | Low | 200 Ų | 200 | 141.9 Ų | 141.9 | 94% | 0.935 | 74% | 0.736 | S | S | * | * | | | trans | -60.2 | 98.4 | 178.8 | -77.9 | -175.8 | 93.7 | 0 | 0 | 107.7 | W41 | W41-E43 PolarHBondContact O-N 2.98Š|
| 44 | S | 59.9 | Low | 62.1 | Low | 179 Ų | 179 | 143.5 Ų | 143.5 | 100% | 1.252 | 75% | 0.75 | S | S | * | * | | | trans | -108.2 | 0 | 167 | -73.3 | 0 | 0 | 0 | 0 | 110.7 | D42 | D42-S44 VanDerWaalsContact C-N 3.35Å; D42-S44 PolarHBondContact O-N 2.86Å |