| 1 | M | 40.1 | Very low | 52.9 | Low | 250 Ų | 250 | 168.7 Ų | 168.7 | 100% | 1.232 | 85% | 0.852 | S | S | * | * | | | | 0 | 109.1 | 0 | -62.1 | -177.1 | -155.3 | 0 | 0 | 107.8 | | |
| 2 | S | 50 | Low | 53 | Low | 115 Ų | 115 | 166 Ų | 166 | 80% | 0.804 | 85% | 0.851 | S | S | * | * | | | trans | -107.4 | 103.2 | 179.7 | 171 | 0 | 0 | 0 | 0 | 108.2 | R4 | S2-R4 PolarHBondContact O-N 2.93Š|
| 3 | A | 52.6 | Low | 53.3 | Low | 94 Ų | 94 | 165.8 Ų | 165.8 | 78% | 0.777 | 85% | 0.851 | S | S | * | * | | | trans | -74.2 | 106.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q5 | A3-Q5 VanDerWaalsContact C-N 3.3Å; A3-Q5 PolarHBondContact O-N 3.3Å |
| 4 | R | 52.9 | Low | 53.4 | Low | 225 Ų | 225 | 162.8 Ų | 162.8 | 85% | 0.849 | 85% | 0.852 | S | S | * | * | | | trans | -62 | 96.2 | 165.6 | -87.2 | 179.4 | 169.7 | 175.5 | -3.9 | 107.9 | S2 R6 | S2-R4 PolarHBondContact O-N 2.93Å; R4-R6 VanDerWaalsContact C-N 3.3Å; R4-R6 PolarHBondContact O-N 2.64Å |
| 5 | Q | 52.3 | Low | 54.2 | Low | 183 Ų | 183 | 155.5 Ų | 155.5 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | | | trans | -58.7 | 93.9 | 166.8 | -120.1 | 175.5 | -14 | 0 | 0 | 107.8 | A3 R7 | A3-Q5 VanDerWaalsContact C-N 3.3Å; A3-Q5 PolarHBondContact O-N 3.3Å; Q5-R7 PolarHBondContact O-N 3.29Å |
| 6 | R | 53.6 | Low | 56 | Low | 234 Ų | 234 | 158.6 Ų | 158.6 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | | | trans | -71.9 | 93.9 | 172.5 | -75.6 | -179.5 | 167.5 | 147 | -4.9 | 107.6 | R4 | R4-R6 VanDerWaalsContact C-N 3.3Å; R4-R6 PolarHBondContact O-N 2.64Å |
| 7 | R | 56.6 | Low | 57.9 | Low | 224 Ų | 224 | 159.1 Ų | 159.1 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | | | trans | -60.3 | 133.6 | 164.3 | -77.6 | -177.5 | 175.2 | 173.1 | -1.4 | 108 | Q5 I9 | Q5-R7 PolarHBondContact O-N 3.29Å; R7-I9 PolarHBondContact O-N 3.2Å |
| 8 | P | 56.5 | Low | 59.8 | Low | 120 Ų | 120 | 158.2 Ų | 158.2 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | | | trans | -57.5 | 131.3 | 170 | -16.8 | 28.7 | 0 | 0 | 0 | 108.6 | A10 | P8-A10 PolarHBondContact O-N 3.23Š|
| 9 | I | 59.3 | Low | 61.6 | Low | 151 Ų | 151 | 154.5 Ų | 154.5 | 77% | 0.774 | 83% | 0.828 | S | S | * | * | | | trans | -65.6 | 106.8 | 170.1 | -64.9 | 172.4 | 0 | 0 | 0 | 106.1 | R7 Q11 | R7-I9 PolarHBondContact O-N 3.2Å; I9-Q11 HydrophobicContact CG2-CB 4.07Å; I9-Q11 PolarHBondContact O-N 3.23Å |
| 10 | A | 55.1 | Low | 63.3 | Low | 100 Ų | 100 | 154.7 Ų | 154.7 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | | | trans | -87.2 | 16.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P8 | P8-A10 PolarHBondContact O-N 3.23Š|
| 11 | Q | 52.7 | Low | 64.9 | Low | 160 Ų | 160 | 153 Ų | 153 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | | | trans | -94.8 | 108.9 | 175.7 | -74.9 | 178.1 | -28.2 | 0 | 0 | 108.7 | I9 L13 | I9-Q11 HydrophobicContact CG2-CB 4.07Å; I9-Q11 PolarHBondContact O-N 3.23Å; Q11-L13 PolarHBondContact O-N 2.96Å |
| 12 | T | 54.8 | Low | 67.6 | Low | 136 Ų | 136 | 149.4 Ų | 149.4 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -57.5 | 110.8 | 157.3 | -48.1 | 0 | 0 | 0 | 0 | 106.5 | S14 | T12-S14 PolarHBondContact O-N 3.16Š|
| 13 | L | 56.5 | Low | 69.8 | Low | 163 Ų | 163 | 149.6 Ų | 149.6 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -59.8 | 103.2 | 167.3 | -82.2 | 150.7 | 0 | 0 | 0 | 106.6 | Q11 G15 | Q11-L13 PolarHBondContact O-N 2.96Å; L13-G15 PolarHBondContact O-N 3.21Å; L13-G15 VanDerWaalsContact C-N 3.3Å |
| 14 | S | 54.9 | Low | 72 | Confident | 124 Ų | 124 | 150.3 Ų | 150.3 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -60.7 | 95.9 | 166.9 | 55.1 | 0 | 0 | 0 | 0 | 107.4 | T12 | T12-S14 PolarHBondContact O-N 3.16Š|
| 15 | G | 64.8 | Low | 74.1 | Confident | 53 Ų | 53 | 147.4 Ų | 147.4 | 55% | 0.546 | 80% | 0.798 | S | S | . | * | | | trans | -175.8 | 77.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L13 D17 | L13-G15 PolarHBondContact O-N 3.21Å; L13-G15 VanDerWaalsContact C-N 3.3Å; G15-D17 PolarHBondContact O-N 2.92Å |
| 16 | F | 82.8 | Confident | 76.1 | Confident | 205 Ų | 205 | 147.4 Ų | 147.4 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | | | trans | -75.9 | 57.8 | 162.6 | -59.6 | -75.4 | 0 | 0 | 0 | 109.3 | I18 | F16-I18 PolarHBondContact O-N 3.21Š|
| 17 | D | 88.1 | Confident | 78.1 | Confident | 167 Ų | 167 | 139.6 Ų | 139.6 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | -78.9 | 74.8 | 179.1 | -170.8 | 17.4 | 0 | 0 | 0 | 109.5 | G15 | G15-D17 PolarHBondContact O-N 2.92Š|
| 18 | I | 93.2 | Very high | 79.9 | Confident | 143 Ų | 143 | 133.6 Ų | 133.6 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | trans | -144.5 | 138 | -179.5 | -170.5 | 169.3 | 0 | 0 | 0 | 109.9 | F16 | F16-I18 PolarHBondContact O-N 3.21Š|
| 19 | A | 93.4 | Very high | 81.7 | Confident | 88 Ų | 88 | 132.4 Ų | 132.4 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | -136.8 | 151.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 20 | I | 96.1 | Very high | 83.2 | Confident | 158 Ų | 158 | 133.6 Ų | 133.6 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -112.5 | 128.1 | 172.4 | -61.4 | 173.5 | 0 | 0 | 0 | 107.4 | | |
| 21 | V | 96.2 | Very high | 85 | Confident | 121 Ų | 121 | 133.4 Ų | 133.4 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | -109.2 | 122 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 22 | M | 97.1 | Very high | 86.9 | Confident | 174 Ų | 174 | 130 Ų | 130 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | trans | -91.1 | 123.3 | 170.9 | -66.1 | -177.5 | 68.4 | 0 | 0 | 109.2 | | |
| 23 | L | 97 | Very high | 88.8 | Confident | 118 Ų | 118 | 127 Ų | 127 | 62% | 0.618 | 73% | 0.73 | S | S | * | * | | | trans | -73.5 | 142 | 173.1 | -57.7 | -179.8 | 0 | 0 | 0 | 109.6 | Q25 V27 | L23-Q25 WeakPolarHBondContact CB-O 3.19Å; L23-Q25 PolarHBondContact O-N 2.95Å; L23-V27 HydrophobicContact CD1-CG1 3.72Å |
| 24 | A | 98.1 | Very high | 90.6 | Very high | 109 Ų | 109 | 125.7 Ų | 125.7 | 90% | 0.901 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -63.4 | -22.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 25 | Q | 97.4 | Very high | 92.5 | Very high | 164 Ų | 164 | 124.9 Ų | 124.9 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -141.1 | 151 | 177.1 | -61.8 | -178.5 | 11.5 | 0 | 0 | 110 | L23 | L23-Q25 WeakPolarHBondContact CB-O 3.19Å; L23-Q25 PolarHBondContact O-N 2.95Å |
| 26 | M | 94.7 | Very high | 93.9 | Very high | 183 Ų | 183 | 129.5 Ų | 129.5 | 90% | 0.901 | 73% | 0.729 | S | S | * | * | | | trans | -68.7 | 143.7 | 175.2 | -64.4 | -64.6 | -74.7 | 0 | 0 | 110.8 | | |
| 27 | V | 94 | Very high | 94.5 | Very high | 70 Ų | 70 | 124.6 Ų | 124.6 | 42% | 0.424 | 72% | 0.72 | S | S | . | * | | | trans | -86.4 | 149.8 | 174.2 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | L23 L29 I33 | L23-V27 HydrophobicContact CD1-CG1 3.72Å; V27-L29 HydrophobicContact CG2-CD2 3.76Å; V27-L29 PolarHBondContact O-N 2.83Å; V27-I33 HydrophobicContact CG2-CG2 4.24Å; V27-I33 HydrophobicContact CB-CD1 4.02Å; V27-I33 HydrophobicContact CG2-CD1 4.46Å |
| 28 | N | 94.2 | Very high | 94.9 | Very high | 98 Ų | 98 | 124 Ų | 124 | 52% | 0.524 | 72% | 0.716 | S | S | . | * | | | trans | -78.4 | 112.7 | 172.1 | -175.4 | -3.4 | 0 | 0 | 0 | 110.2 | Q30 | N28-Q30 VanDerWaalsContact C-N 3.3Å; N28-Q30 PolarHBondContact O-N 2.7Å; N28-Q30 VanDerWaalsContact OD1-CB 3.24Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.31Å; N28-Q30 VanDerWaalsContact OD1-CG 3.23Å; N28-Q30 WeakPolarHBondContact OD1-CG 2.81Å; N28-Q30 PolarHBondContact OD1-N 3.22Å |
| 29 | L | 94.8 | Very high | 95.1 | Very high | 95 Ų | 95 | 121.7 Ų | 121.7 | 50% | 0.497 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.9 | 1.5 | -179 | -59.3 | 179.4 | 0 | 0 | 0 | 114.3 | V27 I33 V35 | V27-L29 HydrophobicContact CG2-CD2 3.76Å; V27-L29 PolarHBondContact O-N 2.83Å; L29-I33 HydrophobicContact CD2-CB 4.32Å; L29-I33 HydrophobicContact CD2-CG2 3.66Å; L29-V35 HydrophobicContact CD1-CG2 4.14Å; L29-V35 HydrophobicContact CD2-CG2 4.1Å |
| 30 | Q | 92 | Very high | 95.3 | Very high | 176 Ų | 176 | 123.8 Ų | 123.8 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -21.1 | -174.7 | -66.6 | 174.1 | -9.8 | 0 | 0 | 114.2 | N28 | N28-Q30 VanDerWaalsContact C-N 3.3Å; N28-Q30 PolarHBondContact O-N 2.7Å; N28-Q30 VanDerWaalsContact OD1-CB 3.24Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.31Å; N28-Q30 VanDerWaalsContact OD1-CG 3.23Å; N28-Q30 WeakPolarHBondContact OD1-CG 2.81Å; N28-Q30 PolarHBondContact OD1-N 3.22Å |
| 31 | S | 91.5 | Very high | 95.2 | Very high | 97 Ų | 97 | 121.8 Ų | 121.8 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -146.8 | 126.2 | -175.5 | 165.2 | 0 | 0 | 0 | 0 | 111.2 | I33 | S31-I33 PolarHBondContact O-N 3.04Š|
| 32 | G | 93.4 | Very high | 95.2 | Very high | 87 Ų | 87 | 120.5 Ų | 120.5 | 90% | 0.897 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 69.2 | -1.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 33 | I | 95.1 | Very high | 95.1 | Very high | 74 Ų | 74 | 116.6 Ų | 116.6 | 38% | 0.379 | 69% | 0.691 | S | S | . | * | | | trans | -127.1 | 130.6 | 179.8 | -55.4 | 178.2 | 0 | 0 | 0 | 108.8 | V27 L29 S31 | V27-I33 HydrophobicContact CG2-CG2 4.24Å; V27-I33 HydrophobicContact CB-CD1 4.02Å; V27-I33 HydrophobicContact CG2-CD1 4.46Å; L29-I33 HydrophobicContact CD2-CB 4.32Å; L29-I33 HydrophobicContact CD2-CG2 3.66Å; S31-I33 PolarHBondContact O-N 3.04Å |
| 34 | T | 93.9 | Very high | 94.8 | Very high | 136 Ų | 136 | 117.9 Ų | 117.9 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | | | trans | -137.8 | 150 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 35 | V | 94 | Very high | 94.5 | Very high | 106 Ų | 106 | 118 Ų | 118 | 64% | 0.642 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -95 | 137.4 | -179.4 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | L29 | L29-V35 HydrophobicContact CD1-CG2 4.14Å; L29-V35 HydrophobicContact CD2-CG2 4.1Å |
| 36 | I | 95.2 | Very high | 94.4 | Very high | 151 Ų | 151 | 114.9 Ų | 114.9 | 77% | 0.774 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 140.3 | 169.5 | -168.6 | 165.4 | 0 | 0 | 0 | 110.1 | | |
| 37 | S | 95.6 | Very high | 94.4 | Very high | 102 Ų | 102 | 112.3 Ų | 112.3 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 145.2 | 176 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 38 | L | 97 | Very high | 94.5 | Very high | 153 Ų | 153 | 113.1 Ų | 113.1 | 80% | 0.801 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 141.5 | 164.9 | -64.7 | 176.6 | 0 | 0 | 0 | 109.8 | | |
| 39 | P | 96.1 | Very high | 94.5 | Very high | 95 Ų | 95 | 112.4 Ų | 112.4 | 62% | 0.617 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 157.7 | 170.3 | 29.9 | -34.3 | 0 | 0 | 0 | 110.4 | D43 | P39-D43 HydrophobicContact CB-CB 4.05Š|
| 40 | Q | 97.7 | Very high | 94.5 | Very high | 132 Ų | 132 | 111.3 Ų | 111.3 | 62% | 0.617 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 151.2 | 164.6 | -59.6 | -58.1 | -57 | 0 | 0 | 109.4 | S42 D43 | Q40-S42 PolarHBondContact O-N 3.21Å; Q40-D43 PolarHBondContact N-OD2 2.94Å; Q40-D43 WeakPolarHBondContact O-CB 3.39Å; Q40-D43 PolarHBondContact O-N 3.43Å |
| 41 | A | 94.4 | Very high | 94.6 | Very high | 116 Ų | 116 | 108.3 Ų | 108.3 | 96% | 0.959 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -20.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 42 | S | 96.1 | Very high | 94.8 | Very high | 94 Ų | 94 | 113.2 Ų | 113.2 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -7.7 | 176.2 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | Q40 I44 | Q40-S42 PolarHBondContact O-N 3.21Å; S42-I44 PolarHBondContact O-N 3.38Å |
| 43 | D | 94.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 116.9 Ų | 116.9 | 49% | 0.492 | 71% | 0.712 | S | S | . | * | | | trans | -76.8 | 107.6 | -175.8 | -65.8 | -18.8 | 0 | 0 | 0 | 109.9 | P39 Q40 | P39-D43 HydrophobicContact CB-CB 4.05Å; Q40-D43 PolarHBondContact N-OD2 2.94Å; Q40-D43 WeakPolarHBondContact O-CB 3.39Å; Q40-D43 PolarHBondContact O-N 3.43Å |
| 44 | I | 92.3 | Very high | 94.7 | Very high | 145 Ų | 145 | 120 Ų | 120 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | | | trans | -109.9 | 121 | 176.8 | -59.1 | 174.4 | 0 | 0 | 0 | 108.3 | S42 T46 | S42-I44 PolarHBondContact O-N 3.38Å; I44-T46 PolarHBondContact O-N 2.91Å |
| 45 | P | 91.7 | Very high | 94.6 | Very high | 112 Ų | 112 | 116.8 Ų | 116.8 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 130.7 | 177.5 | -25.7 | 34.2 | 0 | 0 | 0 | 112.1 | | |
| 46 | T | 93.9 | Very high | 94.4 | Very high | 98 Ų | 98 | 123.4 Ų | 123.4 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 134.3 | 175.1 | -58.5 | 0 | 0 | 0 | 0 | 110 | I44 G48 T49 | I44-T46 PolarHBondContact O-N 2.91Å; T46-G48 PolarHBondContact O-N 2.9Å; T46-T49 PolarHBondContact O-N 2.95Å; T46-T49 WeakPolarHBondContact O-CB 3.44Å; T46-T49 VanDerWaalsContact O-OG1 3.06Å; T46-T49 VanDerWaalsContact O-N 3.09Å; T46-T49 PolarHBondContact O-OG1 3.25Å |
| 47 | P | 94.9 | Very high | 94 | Very high | 130 Ų | 130 | 119.3 Ų | 119.3 | 84% | 0.844 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | 130 | 175.8 | -26.8 | 35.3 | 0 | 0 | 0 | 112.2 | | |
| 48 | G | 95.8 | Very high | 93.4 | Very high | 87 Ų | 87 | 125 Ų | 125 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.8 | -5.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T46 G50 | T46-G48 PolarHBondContact O-N 2.9Å; G48-G50 PolarHBondContact O-N 2.93Å |
| 49 | T | 95 | Very high | 92.7 | Very high | 83 Ų | 83 | 122 Ų | 122 | 51% | 0.509 | 73% | 0.728 | S | S | . | * | | | trans | -63.2 | 127.6 | 170.7 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | T46 | T46-T49 PolarHBondContact O-N 2.95Å; T46-T49 WeakPolarHBondContact O-CB 3.44Å; T46-T49 VanDerWaalsContact O-OG1 3.06Å; T46-T49 VanDerWaalsContact O-N 3.09Å; T46-T49 PolarHBondContact O-OG1 3.25Å |
| 50 | G | 94.7 | Very high | 91.9 | Very high | 71 Ų | 71 | 122.5 Ų | 122.5 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | | | trans | -67 | 137.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G48 | G48-G50 PolarHBondContact O-N 2.93Š|
| 51 | V | 94.9 | Very high | 91 | Very high | 113 Ų | 113 | 122.7 Ų | 122.7 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | | | trans | -132.6 | 158.4 | 177.3 | -63 | 0 | 0 | 0 | 0 | 109.7 | | |
| 52 | F | 94.9 | Very high | 90.2 | Very high | 200 Ų | 200 | 119 Ų | 119 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | | | trans | -105.6 | 134.8 | 174.4 | -62.1 | -82.2 | 0 | 0 | 0 | 109.8 | | |
| 53 | I | 92.7 | Very high | 89.1 | Confident | 164 Ų | 164 | 125.4 Ų | 125.4 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | | | trans | -119 | 128.2 | 168.3 | -60.2 | 171.8 | 0 | 0 | 0 | 105.7 | | |
| 54 | V | 93.6 | Very high | 88.2 | Confident | 139 Ų | 139 | 124.1 Ų | 124.1 | 84% | 0.842 | 70% | 0.698 | S | S | * | * | | | trans | -130 | 146.1 | -178.5 | -62 | 0 | 0 | 0 | 0 | 109.8 | | |
| 55 | G | 92.3 | Very high | 87.1 | Confident | 69 Ų | 69 | 122 Ų | 122 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | | | trans | 170.4 | 168.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G57 | G55-G57 VanDerWaalsContact C-N 3.33Š|
| 56 | Y | 88.9 | Confident | 86.2 | Confident | 246 Ų | 246 | 120.6 Ų | 120.6 | 97% | 0.965 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -99.8 | 23.3 | 173.8 | -61 | -76.6 | 0 | 0 | 0 | 112 | | |
| 57 | G | 86.9 | Confident | 84.9 | Confident | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -66.8 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G55 D59 | G55-G57 VanDerWaalsContact C-N 3.33Å; G57-D59 PolarHBondContact O-N 3.38Å |
| 58 | R | 83.2 | Confident | 83.3 | Confident | 223 Ų | 223 | 124.7 Ų | 124.7 | 84% | 0.842 | 68% | 0.678 | S | S | * | * | | | trans | -54.8 | 124.2 | 175.9 | 179.8 | 175.8 | 169.9 | 165.4 | -3.1 | 110.3 | D60 | R58-D60 PolarHBondContact NH2-OD1 3.06Å; R58-D60 IonicContact NH2-OD1 2.83Å; R58-D60 PolarHBondContact NE-OD1 3.29Å; R58-D60 IonicContact NE-OD1 2.7Å; R58-D60 IonicContact CZ-OD1 3.18Å |
| 59 | D | 83.1 | Confident | 81.4 | Confident | 89 Ų | 89 | 128.2 Ų | 128.2 | 48% | 0.476 | 67% | 0.673 | S | S | . | * | | | trans | -109.5 | 105.8 | 169.8 | 178.3 | 11.2 | 0 | 0 | 0 | 108.4 | G57 N61 D62 | G57-D59 PolarHBondContact O-N 3.38Å; D59-N61 PolarHBondContact O-N 3.09Å; D59-N61 WeakPolarHBondContact OD1-CA 3.11Å; D59-N61 WeakPolarHBondContact OD1-CB 3.12Å; D59-N61 PolarHBondContact OD1-N 2.87Å; D59-D62 HydrophobicContact CB-CB 4.11Å; D59-D62 WeakPolarHBondContact O-CB 3.34Å; D59-D62 PolarHBondContact O-N 3.02Å |
| 60 | D | 78.5 | Confident | 79.5 | Confident | 106 Ų | 106 | 129.6 Ų | 129.6 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -18.8 | 178 | -73.7 | -38.4 | 0 | 0 | 0 | 112.6 | R58 D62 | R58-D60 PolarHBondContact NH2-OD1 3.06Å; R58-D60 IonicContact NH2-OD1 2.83Å; R58-D60 PolarHBondContact NE-OD1 3.29Å; R58-D60 IonicContact NE-OD1 2.7Å; R58-D60 IonicContact CZ-OD1 3.18Å; D60-D62 VanDerWaalsContact C-N 3.32Å |
| 61 | N | 78.9 | Confident | 77.4 | Confident | 135 Ų | 135 | 135.4 Ų | 135.4 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -0.1 | 173.4 | -58.2 | -62.1 | 0 | 0 | 0 | 112.7 | D59 R63 | D59-N61 PolarHBondContact O-N 3.09Å; D59-N61 WeakPolarHBondContact OD1-CA 3.11Å; D59-N61 WeakPolarHBondContact OD1-CB 3.12Å; D59-N61 PolarHBondContact OD1-N 2.87Å; N61-R63 PolarHBondContact O-N 2.88Å |
| 62 | D | 76.7 | Confident | 75 | Confident | 38 Ų | 38 | 142.6 Ų | 142.6 | 20% | 0.203 | 71% | 0.711 | C | S | . | * | | | trans | -56.6 | 127.6 | 174.2 | -162.1 | -19.5 | 0 | 0 | 0 | 108.2 | D59 D60 D64 R67 K68 | D59-D62 HydrophobicContact CB-CB 4.11Å; D59-D62 WeakPolarHBondContact O-CB 3.34Å; D59-D62 PolarHBondContact O-N 3.02Å; D60-D62 VanDerWaalsContact C-N 3.32Å; D62-D64 PolarHBondContact OD1-N 3.34Å; D62-D64 WeakPolarHBondContact OD1-CB 3.23Å; D62-R67 WeakPolarHBondContact OD2-CD 3.34Å; D62-R67 IonicContact OD2-NH1 3.84Å; D62-K68 WeakPolarHBondContact O-CE 3.38Å; D62-K68 PolarHBondContact O-NZ 3.05Å |
| 63 | R | 74.4 | Confident | 74 | Confident | 230 Ų | 230 | 139.8 Ų | 139.8 | 87% | 0.868 | 70% | 0.703 | S | S | * | * | | | trans | -90.9 | -8.4 | -178.2 | -65.5 | -176 | -179.3 | 176.7 | 0.1 | 111.6 | N61 P65 | N61-R63 PolarHBondContact O-N 2.88Å; R63-P65 WeakPolarHBondContact O-CD 3.32Å |
| 64 | D | 74 | Confident | 73.1 | Confident | 65 Ų | 65 | 138.5 Ų | 138.5 | 35% | 0.348 | 70% | 0.696 | S | S | . | * | | | trans | -69.6 | 111.2 | 172.4 | -170.4 | -17.9 | 0 | 0 | 0 | 109.7 | D62 S66 R67 | D62-D64 PolarHBondContact OD1-N 3.34Å; D62-D64 WeakPolarHBondContact OD1-CB 3.23Å; D64-S66 PolarHBondContact OD1-N 3.06Å; D64-S66 PolarHBondContact OD2-OG 3.17Å; D64-S66 PolarHBondContact OD1-OG 3.34Å; D64-S66 WeakPolarHBondContact OD1-CB 3.24Å; D64-S66 VanDerWaalsContact OD1-CB 3.31Å; D64-S66 PolarHBondContact O-N 3.02Å; D64-R67 HydrophobicContact CB-CB 4.5Å; D64-R67 HydrophobicContact CB-CG 4.37Å; D64-R67 PolarHBondContact O-N 3.43Å |
| 65 | P | 70.1 | Confident | 71.9 | Confident | 101 Ų | 101 | 138.4 Ų | 138.4 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -62.8 | -27.9 | -179.7 | -15 | 28.9 | 0 | 0 | 0 | 112.2 | R63 R67 K68 | R63-P65 WeakPolarHBondContact O-CD 3.32Å; P65-R67 PolarHBondContact O-N 2.79Å; P65-K68 PolarHBondContact O-N 2.95Å |
| 66 | S | 73.6 | Confident | 70.7 | Confident | 81 Ų | 81 | 142.5 Ų | 142.5 | 57% | 0.566 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -67.9 | -21.9 | -178.1 | 72.6 | 0 | 0 | 0 | 0 | 112.9 | D64 | D64-S66 PolarHBondContact OD1-N 3.06Å; D64-S66 PolarHBondContact OD2-OG 3.17Å; D64-S66 PolarHBondContact OD1-OG 3.34Å; D64-S66 WeakPolarHBondContact OD1-CB 3.24Å; D64-S66 VanDerWaalsContact OD1-CB 3.31Å; D64-S66 PolarHBondContact O-N 3.02Å |
| 67 | R | 65.7 | Low | 69.6 | Low | 179 Ų | 179 | 136.1 Ų | 136.1 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -92.4 | -10.5 | 179.7 | -69.1 | -175 | 169.3 | -158.2 | -1 | 114.3 | D62 D64 P65 M69 | D62-R67 WeakPolarHBondContact OD2-CD 3.34Å; D62-R67 IonicContact OD2-NH1 3.84Å; D64-R67 HydrophobicContact CB-CB 4.5Å; D64-R67 HydrophobicContact CB-CG 4.37Å; D64-R67 PolarHBondContact O-N 3.43Å; P65-R67 PolarHBondContact O-N 2.79Å; R67-M69 VanDerWaalsContact C-N 3.34Å |
| 68 | K | 61.8 | Low | 68.4 | Low | 136 Ų | 136 | 140.9 Ų | 140.9 | 59% | 0.591 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -80.7 | -16.2 | 174.7 | -64.3 | -167 | -179.8 | -171 | 0 | 113.4 | D62 P65 | D62-K68 WeakPolarHBondContact O-CE 3.38Å; D62-K68 PolarHBondContact O-NZ 3.05Å; P65-K68 PolarHBondContact O-N 2.95Å |
| 69 | M | 54.8 | Low | 67.4 | Low | 161 Ų | 161 | 135 Ų | 135 | 79% | 0.793 | 66% | 0.657 | S | S | * | * | | | trans | -109.5 | 80 | -178.9 | -91.1 | 174 | 55.3 | 0 | 0 | 110.6 | R67 | R67-M69 VanDerWaalsContact C-N 3.34Š|
| 70 | V | 55.9 | Low | 66.1 | Low | 111 Ų | 111 | 138.5 Ų | 138.5 | 67% | 0.673 | 67% | 0.671 | S | S | * | * | | | trans | -133.2 | 81.1 | 151.9 | -160.5 | 0 | 0 | 0 | 0 | 106.2 | F72 | V70-F72 HydrophobicContact CG1-CE2 4.4Š|
| 71 | E | 50.1 | Low | 65.1 | Low | 193 Ų | 193 | 141.3 Ų | 141.3 | 90% | 0.902 | 68% | 0.68 | S | S | * | * | | | trans | -86 | 127.2 | 162.7 | -72.2 | -173.4 | 157.7 | 0 | 0 | 107.3 | | |
| 72 | F | 45.4 | Very low | 63.9 | Low | 265 Ų | 265 | 141.8 Ų | 141.8 | 100% | 1.162 | 68% | 0.676 | S | S | * | * | | | trans | -85.7 | 0 | 161.6 | -71.1 | -84 | 0 | 0 | 0 | 109.2 | V70 | V70-F72 HydrophobicContact CG1-CE2 4.4Š|