| 1 | M | 57.7 | Low | 71.6 | Confident | 243 Ų | 243 | 165.8 Ų | 165.8 | 100% | 1.197 | 86% | 0.858 | S | S | * | * | | | | 0 | 125.5 | 0 | -64.6 | 171.3 | 77.1 | 0 | 0 | 107.8 | | |
| 2 | R | 69.9 | Low | 72.3 | Confident | 251 Ų | 251 | 162.9 Ų | 162.9 | 95% | 0.947 | 84% | 0.843 | S | S | * | * | | | trans | -96 | 107.2 | -177.4 | -63.2 | 177 | 92.5 | 147.1 | 2.7 | 108.8 | | |
| 3 | S | 72.8 | Confident | 72.5 | Confident | 120 Ų | 120 | 159.7 Ų | 159.7 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | | | trans | -71.4 | 129.7 | 170.7 | 45 | 0 | 0 | 0 | 0 | 109.2 | | |
| 4 | R | 75.8 | Confident | 73 | Confident | 237 Ų | 237 | 156 Ų | 156 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | | | trans | -90.6 | 118 | 169.8 | -63.4 | -177.9 | -170.1 | -123.1 | 3.9 | 106.9 | L6 | R4-L6 PolarHBondContact O-N 3.47Š|
| 5 | L | 70.6 | Confident | 73.3 | Confident | 154 Ų | 154 | 156.5 Ų | 156.5 | 81% | 0.806 | 83% | 0.827 | S | S | * | * | | | trans | -72.8 | 112.1 | 172.9 | -172.6 | 74.3 | 0 | 0 | 0 | 107.8 | L7 | L5-L7 PolarHBondContact O-N 3.3Š|
| 6 | L | 75.1 | Confident | 73.4 | Confident | 155 Ų | 155 | 159.7 Ų | 159.7 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | | | trans | -79.8 | 115.4 | 169.1 | -64.3 | 177.5 | 0 | 0 | 0 | 107.3 | R4 S8 | R4-L6 PolarHBondContact O-N 3.47Å; L6-S8 PolarHBondContact O-N 3.21Å |
| 7 | L | 72.7 | Confident | 73.3 | Confident | 149 Ų | 149 | 162.1 Ų | 162.1 | 78% | 0.78 | 83% | 0.831 | S | S | * | * | | | trans | -69.3 | 118.4 | 170.7 | -88.4 | 95.4 | 0 | 0 | 0 | 108.7 | L5 V9 | L5-L7 PolarHBondContact O-N 3.3Å; L7-V9 PolarHBondContact O-N 3.31Å |
| 8 | S | 69.8 | Low | 73 | Confident | 127 Ų | 127 | 158.9 Ų | 158.9 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | | | trans | -67.2 | 111.5 | 168.4 | -59.7 | 0 | 0 | 0 | 0 | 109 | L6 | L6-S8 PolarHBondContact O-N 3.21Š|
| 9 | V | 71.8 | Confident | 72.5 | Confident | 129 Ų | 129 | 155.9 Ų | 155.9 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | | | trans | -83.1 | 124.6 | 173.6 | -180 | 0 | 0 | 0 | 0 | 108.1 | L7 | L7-V9 PolarHBondContact O-N 3.31Š|
| 10 | A | 76.4 | Confident | 71.9 | Confident | 80 Ų | 80 | 155.4 Ų | 155.4 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | | | trans | -63 | 136.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L12 | A10-L12 PolarHBondContact O-N 3.01Š|
| 11 | H | 75.6 | Confident | 71.2 | Confident | 179 Ų | 179 | 156 Ų | 156 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | -67.6 | 105.5 | 177.2 | -165.7 | 65.2 | 0 | 0 | 0 | 109.1 | | |
| 12 | L | 79.8 | Confident | 71.1 | Confident | 131 Ų | 131 | 152 Ų | 152 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 141.7 | 175.7 | -77.4 | 152.8 | 0 | 0 | 0 | 109.1 | A10 T14 | A10-L12 PolarHBondContact O-N 3.01Å; L12-T14 PolarHBondContact O-N 3.47Å; L12-T14 VanDerWaalsContact O-N 3.09Å |
| 13 | P | 74.6 | Confident | 70.4 | Confident | 121 Ų | 121 | 147.5 Ų | 147.5 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 116.8 | 175.7 | 25.5 | -32.2 | 0 | 0 | 0 | 109.5 | I15 | P13-I15 PolarHBondContact O-N 3.09Š|
| 14 | T | 80.1 | Confident | 69.6 | Low | 108 Ų | 108 | 149 Ų | 149 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 120.5 | 175.3 | -55.2 | 0 | 0 | 0 | 0 | 109.2 | L12 R16 | L12-T14 PolarHBondContact O-N 3.47Å; L12-T14 VanDerWaalsContact O-N 3.09Å; T14-R16 PolarHBondContact O-N 3.29Å |
| 15 | I | 77.2 | Confident | 68.7 | Low | 164 Ų | 164 | 139.8 Ų | 139.8 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 119.5 | 166.3 | -58.4 | 172 | 0 | 0 | 0 | 106.7 | P13 | P13-I15 PolarHBondContact O-N 3.09Š|
| 16 | R | 74.6 | Confident | 68.2 | Low | 207 Ų | 207 | 134.4 Ų | 134.4 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 133.3 | 172.8 | -63.6 | -177.2 | 66.8 | -170.5 | -1.1 | 107.3 | T14 T18 | T14-R16 PolarHBondContact O-N 3.29Å; R16-T18 PolarHBondContact O-N 2.73Å |
| 17 | E | 72 | Confident | 67.1 | Low | 201 Ų | 201 | 134.2 Ų | 134.2 | 94% | 0.939 | 74% | 0.744 | S | S | * | * | | | trans | -62.2 | 103 | 167.7 | -74.2 | 176.2 | 125.4 | 0 | 0 | 108 | | |
| 18 | T | 67.9 | Low | 66.6 | Low | 104 Ų | 104 | 131 Ų | 131 | 64% | 0.638 | 75% | 0.746 | S | S | * | * | | | trans | -86.5 | 116.4 | 165.5 | 45.5 | 0 | 0 | 0 | 0 | 106.4 | R16 E20 | R16-T18 PolarHBondContact O-N 2.73Å; T18-E20 PolarHBondContact O-N 2.94Å |
| 19 | T | 63.9 | Low | 66.1 | Low | 102 Ų | 102 | 131.9 Ų | 131.9 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | | | trans | -66.6 | 80.6 | 175.9 | -18.6 | 0 | 0 | 0 | 0 | 109.3 | E21 | T19-E21 PolarHBondContact O-N 3.44Š|
| 20 | E | 60.5 | Low | 65.8 | Low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -72.9 | -5.8 | 178.5 | 58 | -167.2 | 113.4 | 0 | 0 | 112.6 | T18 M22 | T18-E20 PolarHBondContact O-N 2.94Å; E20-M22 VanDerWaalsContact C-N 3.34Å; E20-M22 PolarHBondContact O-N 3.29Å |
| 21 | E | 56.9 | Low | 65.3 | Low | 169 Ų | 169 | 133.7 Ų | 133.7 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -72.4 | -22.6 | 179.5 | -53.8 | -173.1 | 156.9 | 0 | 0 | 113.4 | T19 | T19-E21 PolarHBondContact O-N 3.44Š|
| 22 | M | 54.9 | Low | 65.1 | Low | 158 Ų | 158 | 130.5 Ų | 130.5 | 78% | 0.778 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -87.8 | -13.7 | -178.4 | -67.9 | -179.4 | 92.6 | 0 | 0 | 114.2 | E20 | E20-M22 VanDerWaalsContact C-N 3.34Å; E20-M22 PolarHBondContact O-N 3.29Å |
| 23 | L | 55.1 | Low | 64.9 | Low | 156 Ų | 156 | 129.2 Ų | 129.2 | 82% | 0.817 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -97.1 | -5.2 | -174.1 | -68.1 | 176.2 | 0 | 0 | 0 | 114.2 | G25 | L23-G25 PolarHBondContact O-N 3.32Š|
| 24 | L | 55.9 | Low | 64.8 | Low | 151 Ų | 151 | 128.8 Ų | 128.8 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -77.2 | -2.4 | 177 | -69.3 | 174.5 | 0 | 0 | 0 | 113.7 | | |
| 25 | G | 58.2 | Low | 64.9 | Low | 44 Ų | 44 | 126.7 Ų | 126.7 | 45% | 0.454 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -120.9 | 108.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L23 | L23-G25 PolarHBondContact O-N 3.32Š|
| 26 | G | 58.9 | Low | 65.4 | Low | 42 Ų | 42 | 121.4 Ų | 121.4 | 43% | 0.433 | 69% | 0.691 | S | S | . | * | | | trans | -59.6 | 153.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110 | G28 Q29 | G26-G28 PolarHBondContact O-N 3.34Å; G26-Q29 PolarHBondContact O-N 3.36Å; G26-Q29 VanDerWaalsContact O-N 3.1Å |
| 27 | P | 53.1 | Low | 66.3 | Low | 151 Ų | 151 | 117.9 Ų | 117.9 | 98% | 0.981 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 102.9 | 176.6 | 23.5 | -31.2 | 0 | 0 | 0 | 109.1 | | |
| 28 | G | 61.5 | Low | 67.3 | Low | 80 Ų | 80 | 113.3 Ų | 113.3 | 83% | 0.825 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119.3 | -0.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | G26 E30 | G26-G28 PolarHBondContact O-N 3.34Å; G28-E30 PolarHBondContact O-N 3.34Å |
| 29 | Q | 60.2 | Low | 68.4 | Low | 147 Ų | 147 | 111.9 Ų | 111.9 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | | | trans | -83.3 | 100.5 | 164.9 | -84.1 | -172.9 | -1.8 | 0 | 0 | 109.5 | G26 | G26-Q29 PolarHBondContact O-N 3.36Å; G26-Q29 VanDerWaalsContact O-N 3.1Å |
| 30 | E | 64.1 | Low | 69.8 | Low | 151 Ų | 151 | 113.1 Ų | 113.1 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 133.2 | 160.8 | -169.6 | -146.3 | 149.7 | 0 | 0 | 107.7 | G28 | G28-E30 PolarHBondContact O-N 3.34Š|
| 31 | P | 67.3 | Low | 71.3 | Confident | 96 Ų | 96 | 109.9 Ų | 109.9 | 62% | 0.623 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 140.4 | 166.6 | 22.7 | -33.3 | 0 | 0 | 0 | 108.8 | | |
| 32 | P | 70.4 | Confident | 73 | Confident | 112 Ų | 112 | 110.2 Ų | 110.2 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 144 | 175 | 24.2 | -33.3 | 0 | 0 | 0 | 108.9 | S34 | P32-S34 PolarHBondContact O-N 3.07Š|
| 33 | P | 75.4 | Confident | 74.7 | Confident | 103 Ų | 103 | 105 Ų | 105 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 133 | -177.6 | 21.1 | -32.9 | 0 | 0 | 0 | 108.8 | P35 | P33-P35 VanDerWaalsContact O-N 3.16Š|
| 34 | S | 73.5 | Confident | 76.4 | Confident | 112 Ų | 112 | 102.8 Ų | 102.8 | 78% | 0.783 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -55 | 124.9 | 176.7 | -67.3 | 0 | 0 | 0 | 0 | 108 | P32 | P32-S34 PolarHBondContact O-N 3.07Š|
| 35 | P | 81.6 | Confident | 77.9 | Confident | 64 Ų | 64 | 98.4 Ų | 98.4 | 42% | 0.416 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 151.1 | -175.6 | 19.7 | -27.4 | 0 | 0 | 0 | 110.7 | P33 D39 Y40 | P33-P35 VanDerWaalsContact O-N 3.16Å; P35-D39 HydrophobicContact CB-CB 4.06Å; P35-Y40 HydrophobicContact CB-CE2 4.3Å; P35-Y40 HydrophobicContact CG-CD2 4.39Å; P35-Y40 HydrophobicContact CG-CE1 4.24Å; P35-Y40 HydrophobicContact CG-CE2 3.64Å; P35-Y40 WeakPolarHBondContact CG-OH 3.42Å |
| 36 | S | 87.8 | Confident | 79.3 | Confident | 53 Ų | 53 | 104.1 Ų | 104.1 | 37% | 0.371 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 155.1 | 178.7 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | D38 D39 Y40 | S36-D38 PolarHBondContact O-N 3.13Å; S36-D38 PolarHBondContact OG-N 3.34Å; S36-D38 VanDerWaalsContact OG-N 3.14Å; S36-D39 WeakPolarHBondContact CB-OD2 3.37Å; S36-D39 PolarHBondContact N-OD2 3.3Å; S36-D39 VanDerWaalsContact N-OD2 3.16Å; S36-D39 WeakPolarHBondContact O-CB 3.37Å; S36-D39 PolarHBondContact O-N 3.41Å; S36-Y40 WeakPolarHBondContact O-CD2 3.24Å; S36-Y40 PolarHBondContact O-N 3Å |
| 37 | L | 92.7 | Very high | 80.8 | Confident | 133 Ų | 133 | 108.5 Ų | 108.5 | 70% | 0.696 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -54.3 | -37.3 | 169.2 | -175.5 | 138.5 | 0 | 0 | 0 | 111.4 | D39 Y40 V41 | L37-D39 VanDerWaalsContact C-N 3.31Å; L37-D39 PolarHBondContact O-N 2.86Å; L37-Y40 PolarHBondContact O-N 3.17Å; L37-V41 HydrophobicContact CD2-CG2 4.13Å; L37-V41 WeakPolarHBondContact O-CG2 3.37Å; L37-V41 PolarHBondContact O-N 3.25Å |
| 38 | D | 93.7 | Very high | 82.5 | Confident | 106 Ų | 106 | 105 Ų | 105 | 57% | 0.567 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64 | -35.5 | 176.6 | -65.2 | -48.8 | 0 | 0 | 0 | 112.6 | S36 V41 R42 | S36-D38 PolarHBondContact O-N 3.13Å; S36-D38 PolarHBondContact OG-N 3.34Å; S36-D38 VanDerWaalsContact OG-N 3.14Å; D38-V41 PolarHBondContact O-N 3.23Å; D38-R42 WeakPolarHBondContact O-CB 3.41Å; D38-R42 PolarHBondContact O-N 3.32Å |
| 39 | D | 91.7 | Very high | 83.6 | Confident | 73 Ų | 73 | 105.9 Ų | 105.9 | 39% | 0.39 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.2 | -38.6 | 178.5 | -65.6 | -38.9 | 0 | 0 | 0 | 110.9 | P35 S36 L37 R42 S43 | P35-D39 HydrophobicContact CB-CB 4.06Å; S36-D39 WeakPolarHBondContact CB-OD2 3.37Å; S36-D39 PolarHBondContact N-OD2 3.3Å; S36-D39 VanDerWaalsContact N-OD2 3.16Å; S36-D39 WeakPolarHBondContact O-CB 3.37Å; S36-D39 PolarHBondContact O-N 3.41Å; L37-D39 VanDerWaalsContact C-N 3.31Å; L37-D39 PolarHBondContact O-N 2.86Å; D39-R42 PolarHBondContact O-N 3.1Å; D39-S43 VanDerWaalsContact O-CB 3.3Å; D39-S43 WeakPolarHBondContact O-CB 3.49Å; D39-S43 PolarHBondContact O-N 2.82Å |
| 40 | Y | 91.6 | Very high | 84.6 | Confident | 128 Ų | 128 | 102.1 Ų | 102.1 | 50% | 0.502 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.9 | -48.2 | 172 | -77.6 | -68.9 | 0 | 0 | 0 | 111.7 | P35 S36 L37 R42 S43 I44 | P35-Y40 HydrophobicContact CB-CE2 4.3Å; P35-Y40 HydrophobicContact CG-CD2 4.39Å; P35-Y40 HydrophobicContact CG-CE1 4.24Å; P35-Y40 HydrophobicContact CG-CE2 3.64Å; P35-Y40 WeakPolarHBondContact CG-OH 3.42Å; S36-Y40 WeakPolarHBondContact O-CD2 3.24Å; S36-Y40 PolarHBondContact O-N 3Å; L37-Y40 PolarHBondContact O-N 3.17Å; Y40-R42 VanDerWaalsContact C-N 3.27Å; Y40-R42 PolarHBondContact O-N 3.42Å; Y40-S43 PolarHBondContact O-N 3.18Å; Y40-I44 WeakPolarHBondContact O-CB 3.26Å; Y40-I44 VanDerWaalsContact O-CG1 3.24Å; Y40-I44 WeakPolarHBondContact O-CG1 3.5Å; Y40-I44 PolarHBondContact O-N 3.01Å |
| 41 | V | 93.6 | Very high | 84.7 | Confident | 78 Ų | 78 | 101.3 Ų | 101.3 | 47% | 0.473 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -56.7 | -44.3 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | L37 D38 S45 | L37-V41 HydrophobicContact CD2-CG2 4.13Å; L37-V41 WeakPolarHBondContact O-CG2 3.37Å; L37-V41 PolarHBondContact O-N 3.25Å; D38-V41 PolarHBondContact O-N 3.23Å; V41-S45 VanDerWaalsContact O-CB 3.26Å; V41-S45 WeakPolarHBondContact O-CB 3.48Å; V41-S45 PolarHBondContact O-N 3.08Å; V41-S45 PolarHBondContact O-OG 3.22Å |
| 42 | R | 91.2 | Very high | 84.4 | Confident | 177 Ų | 177 | 101.2 Ų | 101.2 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.6 | -44.5 | 177.1 | -170.4 | -176.6 | -62 | 165 | 3.8 | 112.3 | D38 D39 Y40 S45 R46 | D38-R42 WeakPolarHBondContact O-CB 3.41Å; D38-R42 PolarHBondContact O-N 3.32Å; D39-R42 PolarHBondContact O-N 3.1Å; Y40-R42 VanDerWaalsContact C-N 3.27Å; Y40-R42 PolarHBondContact O-N 3.42Å; R42-S45 PolarHBondContact O-N 3.33Å; R42-R46 WeakPolarHBondContact O-CB 3.38Å; R42-R46 PolarHBondContact O-N 2.83Å |
| 43 | S | 90.6 | Very high | 83.8 | Confident | 48 Ų | 48 | 100.1 Ų | 100.1 | 34% | 0.336 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.2 | -49 | 179.2 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | D39 Y40 S45 R46 L47 | D39-S43 VanDerWaalsContact O-CB 3.3Å; D39-S43 WeakPolarHBondContact O-CB 3.49Å; D39-S43 PolarHBondContact O-N 2.82Å; Y40-S43 PolarHBondContact O-N 3.18Å; S43-S45 VanDerWaalsContact C-N 3.35Å; S43-S45 PolarHBondContact O-N 2.97Å; S43-R46 WeakPolarHBondContact O-CB 3.3Å; S43-R46 PolarHBondContact O-N 3.39Å; S43-L47 WeakPolarHBondContact O-CG 3.44Å; S43-L47 PolarHBondContact O-N 3.46Å |
| 44 | I | 91.8 | Very high | 82.8 | Confident | 109 Ų | 109 | 99.1 Ų | 99.1 | 56% | 0.559 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 177.6 | -66.9 | 165.4 | 0 | 0 | 0 | 110.1 | Y40 R46 L47 A48 | Y40-I44 WeakPolarHBondContact O-CB 3.26Å; Y40-I44 VanDerWaalsContact O-CG1 3.24Å; Y40-I44 WeakPolarHBondContact O-CG1 3.5Å; Y40-I44 PolarHBondContact O-N 3.01Å; I44-R46 VanDerWaalsContact C-N 3.28Å; I44-R46 PolarHBondContact O-N 3.27Å; I44-L47 PolarHBondContact O-N 2.92Å; I44-A48 WeakPolarHBondContact O-CB 3.37Å; I44-A48 PolarHBondContact O-N 2.71Å |
| 45 | S | 88.2 | Confident | 81.9 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 42% | 0.42 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 178 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | V41 R42 S43 Q49 | V41-S45 VanDerWaalsContact O-CB 3.26Å; V41-S45 WeakPolarHBondContact O-CB 3.48Å; V41-S45 PolarHBondContact O-N 3.08Å; V41-S45 PolarHBondContact O-OG 3.22Å; R42-S45 PolarHBondContact O-N 3.33Å; S43-S45 VanDerWaalsContact C-N 3.35Å; S43-S45 PolarHBondContact O-N 2.97Å; S45-Q49 VanDerWaalsContact O-CG 3.28Å; S45-Q49 WeakPolarHBondContact O-CG 3.3Å; S45-Q49 PolarHBondContact O-N 3.19Å; S45-Q49 PolarHBondContact O-NE2 3.2Å |
| 46 | R | 86.7 | Confident | 80.5 | Confident | 164 Ų | 164 | 105.1 Ų | 105.1 | 62% | 0.619 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.6 | -42.6 | 176.9 | -172.2 | 178.4 | 72.2 | -175.6 | 1.6 | 112.3 | R42 S43 I44 A48 Q49 | R42-R46 WeakPolarHBondContact O-CB 3.38Å; R42-R46 PolarHBondContact O-N 2.83Å; S43-R46 WeakPolarHBondContact O-CB 3.3Å; S43-R46 PolarHBondContact O-N 3.39Å; I44-R46 VanDerWaalsContact C-N 3.28Å; I44-R46 PolarHBondContact O-N 3.27Å; R46-A48 VanDerWaalsContact C-N 3.34Å; R46-Q49 WeakPolarHBondContact O-CB 3.4Å; R46-Q49 PolarHBondContact O-N 2.98Å |
| 47 | L | 89.6 | Confident | 78.9 | Confident | 134 Ų | 134 | 106.5 Ų | 106.5 | 70% | 0.702 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.9 | -32.6 | -179.6 | -70.4 | 173.8 | 0 | 0 | 0 | 112.6 | S43 I44 Q49 | S43-L47 WeakPolarHBondContact O-CG 3.44Å; S43-L47 PolarHBondContact O-N 3.46Å; I44-L47 PolarHBondContact O-N 2.92Å; L47-Q49 PolarHBondContact O-N 3.32Å |
| 48 | A | 89.4 | Confident | 76.9 | Confident | 77 Ų | 77 | 104 Ų | 104 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -5.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I44 R46 | I44-A48 WeakPolarHBondContact O-CB 3.37Å; I44-A48 PolarHBondContact O-N 2.71Å; R46-A48 VanDerWaalsContact C-N 3.34Å |
| 49 | Q | 84.3 | Confident | 74.8 | Confident | 98 Ų | 98 | 102.6 Ų | 102.6 | 46% | 0.458 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -71.1 | 141.3 | 178.2 | -65.3 | -48.9 | -55.6 | 0 | 0 | 111.5 | S45 R46 L47 T51 | S45-Q49 VanDerWaalsContact O-CG 3.28Å; S45-Q49 WeakPolarHBondContact O-CG 3.3Å; S45-Q49 PolarHBondContact O-N 3.19Å; S45-Q49 PolarHBondContact O-NE2 3.2Å; R46-Q49 WeakPolarHBondContact O-CB 3.4Å; R46-Q49 PolarHBondContact O-N 2.98Å; L47-Q49 PolarHBondContact O-N 3.32Å; Q49-T51 PolarHBondContact O-N 2.98Å |
| 50 | P | 80.9 | Confident | 72.9 | Confident | 69 Ų | 69 | 108.1 Ų | 108.1 | 45% | 0.448 | 59% | 0.59 | S | S | . | * | | | trans | -58.7 | 132.7 | 170.4 | -14.7 | 26.3 | 0 | 0 | 0 | 109.7 | S52 V53 | P50-S52 PolarHBondContact O-N 3.46Å; P50-V53 HydrophobicContact CB-CG2 4.29Å; P50-V53 HydrophobicContact CG-CG2 4.26Å; P50-V53 PolarHBondContact O-N 3.43Å |
| 51 | T | 67.4 | Low | 71.1 | Confident | 134 Ų | 134 | 105.2 Ų | 105.2 | 82% | 0.822 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.7 | -16.9 | 176.8 | 42.8 | 0 | 0 | 0 | 0 | 113.2 | Q49 | Q49-T51 PolarHBondContact O-N 2.98Å |
| 52 | S | 59.8 | Low | 69.3 | Low | 93 Ų | 93 | 108.6 Ų | 108.6 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74.4 | -21.6 | 174.2 | 62 | 0 | 0 | 0 | 0 | 114.7 | P50 | P50-S52 PolarHBondContact O-N 3.46Å |
| 53 | V | 58.6 | Low | 67.4 | Low | 90 Ų | 90 | 106.1 Ų | 106.1 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -93.4 | -30.3 | -177.1 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | P50 D55 | P50-V53 HydrophobicContact CB-CG2 4.29Å; P50-V53 HydrophobicContact CG-CG2 4.26Å; P50-V53 PolarHBondContact O-N 3.43Å; V53-D55 VanDerWaalsContact C-N 3.33Å; V53-D55 PolarHBondContact O-N 2.93Å |
| 54 | L | 55.1 | Low | 65.9 | Low | 81 Ų | 81 | 113.7 Ų | 113.7 | 42% | 0.424 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.6 | -20.8 | -177.2 | -172 | 62.6 | 0 | 0 | 0 | 114.1 | K56 A57 T58 | L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.43Å; L54-A57 PolarHBondContact O-N 2.86Å; L54-T58 PolarHBondContact O-N 3.14Å; L54-T58 PolarHBondContact O-OG1 2.98Å |
| 55 | D | 53.8 | Low | 64.7 | Low | 119 Ų | 119 | 113.5 Ų | 113.5 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.2 | -36.1 | 179.3 | -171.3 | 48.8 | 0 | 0 | 0 | 112.4 | V53 A59 | V53-D55 VanDerWaalsContact C-N 3.33Å; V53-D55 PolarHBondContact O-N 2.93Å; D55-A59 WeakPolarHBondContact O-CB 3.28Å; D55-A59 PolarHBondContact O-N 2.92Å |
| 56 | K | 52.1 | Low | 63.6 | Low | 183 Ų | 183 | 116.6 Ų | 116.6 | 80% | 0.796 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -76.7 | -28.2 | -176.9 | -60.4 | -165.3 | 178.5 | -167.1 | 0 | 114.2 | L54 | L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.43Å |
| 57 | A | 54.5 | Low | 62.4 | Low | 82 Ų | 82 | 117 Ų | 117 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -90 | -27.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L54 | L54-A57 PolarHBondContact O-N 2.86Å |
| 58 | T | 49.6 | Very low | 61.3 | Low | 80 Ų | 80 | 121.5 Ų | 121.5 | 49% | 0.491 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -89.5 | -16.3 | -175.3 | -40.4 | 0 | 0 | 0 | 0 | 112.8 | L54 Q60 G61 | L54-T58 PolarHBondContact O-N 3.14Å; L54-T58 PolarHBondContact O-OG1 2.98Å; T58-Q60 PolarHBondContact O-N 3Å; T58-G61 PolarHBondContact O-N 3.16Å |
| 59 | A | 50.7 | Low | 59.9 | Low | 78 Ų | 78 | 123.2 Ų | 123.2 | 65% | 0.645 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -12.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D55 | D55-A59 WeakPolarHBondContact O-CB 3.28Å; D55-A59 PolarHBondContact O-N 2.92Å |
| 60 | Q | 51.4 | Low | 58.8 | Low | 189 Ų | 189 | 123.3 Ų | 123.3 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -7.3 | 178.6 | -66.3 | -150.5 | -20.2 | 0 | 0 | 114.8 | T58 | T58-Q60 PolarHBondContact O-N 3Š|
| 61 | G | 54.6 | Low | 57.7 | Low | 66 Ų | 66 | 128.8 Ų | 128.8 | 68% | 0.68 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -18.7 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | T58 | T58-G61 PolarHBondContact O-N 3.16Š|
| 62 | Q | 54.8 | Low | 57.1 | Low | 149 Ų | 149 | 126.9 Ų | 126.9 | 70% | 0.696 | 72% | 0.717 | S | S | * | * | | | trans | -150.8 | 122.2 | -175.6 | -114 | -169.5 | -47.9 | 0 | 0 | 112.7 | R64 | Q62-R64 PolarHBondContact O-N 2.94Š|
| 63 | P | 52.1 | Low | 56.8 | Low | 125 Ų | 125 | 128.6 Ų | 128.6 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | | | trans | -68.6 | 102.2 | 159.9 | 27.8 | -28.6 | 0 | 0 | 0 | 107.5 | | |
| 64 | R | 59 | Low | 56.4 | Low | 207 Ų | 207 | 136.3 Ų | 136.3 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 128.5 | 168.7 | -100.3 | -177.3 | 167.8 | 175.2 | -3.6 | 108.2 | Q62 | Q62-R64 PolarHBondContact O-N 2.94Š|
| 65 | P | 65.9 | Low | 56.2 | Low | 105 Ų | 105 | 142.2 Ų | 142.2 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 139.9 | 167.1 | -18.5 | 29.8 | 0 | 0 | 0 | 108.8 | H67 | P65-H67 PolarHBondContact O-N 3.35Å; P65-H67 VanDerWaalsContact O-N 3.08Å |
| 66 | P | 66.4 | Low | 56 | Low | 125 Ų | 125 | 139.8 Ų | 139.8 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 121 | 174.8 | 22.8 | -30.7 | 0 | 0 | 0 | 108.8 | R68 | P66-R68 PolarHBondContact O-N 3.43Š|
| 67 | H | 60 | Low | 56 | Low | 173 Ų | 173 | 142.4 Ų | 142.4 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | | | trans | -56.9 | 106.4 | 172.2 | -102.2 | -80.2 | 0 | 0 | 0 | 108.2 | P65 P69 | P65-H67 PolarHBondContact O-N 3.35Å; P65-H67 VanDerWaalsContact O-N 3.08Å; H67-P69 VanDerWaalsContact O-CD 3.3Å; H67-P69 WeakPolarHBondContact O-CD 3.45Å |
| 68 | R | 68.1 | Low | 56 | Low | 229 Ų | 229 | 144.5 Ų | 144.5 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -73.5 | 118.1 | 169.1 | -164.5 | 175.6 | -172 | 177.5 | 2.1 | 106.9 | P66 A70 | P66-R68 PolarHBondContact O-N 3.43Å; R68-A70 PolarHBondContact O-N 3.08Å |
| 69 | P | 59.8 | Low | 55.6 | Low | 112 Ų | 112 | 145.4 Ų | 145.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -59 | 127.1 | 173.1 | -19.3 | 31.6 | 0 | 0 | 0 | 108.2 | H67 Q71 | H67-P69 VanDerWaalsContact O-CD 3.3Å; H67-P69 WeakPolarHBondContact O-CD 3.45Å; P69-Q71 PolarHBondContact O-N 2.88Å |
| 70 | A | 59.5 | Low | 55.4 | Low | 100 Ų | 100 | 148.1 Ų | 148.1 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | | | trans | -60.5 | 107.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | R68 A72 | R68-A70 PolarHBondContact O-N 3.08Å; A70-A72 PolarHBondContact O-N 3.41Å; A70-A72 VanDerWaalsContact O-N 3.08Å |
| 71 | Q | 58.6 | Low | 55.6 | Low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -60.9 | 116.2 | 172.7 | -88.1 | 177.6 | -7.3 | 0 | 0 | 107.9 | P69 C73 | P69-Q71 PolarHBondContact O-N 2.88Å; Q71-C73 PolarHBondContact O-N 3.23Å |
| 72 | A | 54.9 | Low | 55.5 | Low | 93 Ų | 93 | 148.1 Ų | 148.1 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -52.3 | 128.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A70 R74 | A70-A72 PolarHBondContact O-N 3.41Å; A70-A72 VanDerWaalsContact O-N 3.08Å; A72-R74 PolarHBondContact O-N 3.19Å; A72-R74 VanDerWaalsContact O-N 3.13Å |
| 73 | C | 53.8 | Low | 55.2 | Low | 129 Ų | 129 | 151.8 Ų | 151.8 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | trans | -49.9 | 114.2 | 171.5 | -80 | 0 | 0 | 0 | 0 | 111.2 | Q71 K75 | Q71-C73 PolarHBondContact O-N 3.23Å; C73-K75 PolarHBondContact O-N 3.49Å |
| 74 | R | 49.6 | Very low | 54.8 | Low | 252 Ų | 252 | 156.8 Ų | 156.8 | 95% | 0.951 | 83% | 0.833 | S | S | * | * | | | trans | -85.8 | 93.3 | 153.3 | -84 | -165.9 | 175.1 | -158.7 | 0.4 | 108.5 | A72 G76 | A72-R74 PolarHBondContact O-N 3.19Å; A72-R74 VanDerWaalsContact O-N 3.13Å; R74-G76 PolarHBondContact O-N 3.37Å |
| 75 | K | 51.3 | Low | 54.6 | Low | 206 Ų | 206 | 154.3 Ų | 154.3 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | | | trans | -66.8 | 94.3 | 164.9 | -167.8 | 171.8 | -175 | 177.5 | 0 | 108.4 | C73 | C73-K75 PolarHBondContact O-N 3.49Š|
| 76 | G | 48.5 | Very low | 54 | Low | 68 Ų | 68 | 156.9 Ų | 156.9 | 70% | 0.701 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 139.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R74 | R74-G76 PolarHBondContact O-N 3.37Š|
| 77 | R | 53.3 | Low | 53.3 | Low | 237 Ų | 237 | 158.7 Ų | 158.7 | 89% | 0.894 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 161.6 | -168.4 | -66.9 | 169.5 | -179.1 | -171.5 | -1.3 | 115.7 | | |
| 78 | P | 54.7 | Low | 52.9 | Low | 127 Ų | 127 | 157.8 Ų | 157.8 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 137.6 | 173.5 | 33.2 | -31.8 | 0 | 0 | 0 | 110.3 | | |
| 79 | A | 40.4 | Very low | 52 | Low | 99 Ų | 99 | 153.4 Ų | 153.4 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | | | trans | -114.6 | 95.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | S81 | A79-S81 PolarHBondContact O-N 3.01Š|
| 80 | V | 47.5 | Very low | 51.5 | Low | 134 Ų | 134 | 156.1 Ų | 156.1 | 81% | 0.812 | 86% | 0.855 | S | S | * | * | | | trans | -63.4 | 116.2 | 154.5 | 156.1 | 0 | 0 | 0 | 0 | 105.9 | | |
| 81 | S | 54.4 | Low | 50.9 | Low | 101 Ų | 101 | 160.1 Ų | 160.1 | 71% | 0.706 | 86% | 0.857 | S | S | * | * | | | trans | -110.8 | 103.5 | 160.9 | -173.6 | 0 | 0 | 0 | 0 | 107.1 | A79 | A79-S81 PolarHBondContact O-N 3.01Š|
| 82 | L | 53.6 | Low | 50.3 | Low | 154 Ų | 154 | 158.2 Ų | 158.2 | 81% | 0.806 | 86% | 0.857 | S | S | * | * | | | trans | -68.4 | 122.1 | 169.5 | -152.3 | 161.6 | 0 | 0 | 0 | 106.2 | | |
| 83 | R | 47.6 | Very low | 49.9 | Very low | 226 Ų | 226 | 163.7 Ų | 163.7 | 85% | 0.853 | 86% | 0.864 | S | S | * | * | | | trans | -109.9 | 125.6 | 169 | -61.2 | -167.9 | 97.3 | -168.2 | 5.3 | 108.5 | | |
| 84 | D | 44.2 | Very low | 49.6 | Very low | 231 Ų | 231 | 166.8 Ų | 166.8 | 100% | 1.235 | 86% | 0.863 | S | S | * | * | | | trans | -56 | 0 | 164.3 | -165.9 | 42 | 0 | 0 | 0 | 111.1 | | |