| 1 | M | 46.8 | Very low | 57 | Low | 245 Ų | 245 | 153 Ų | 153 | 100% | 1.207 | 80% | 0.801 | S | S | * | * | | | | 0 | 83.2 | 0 | -63.1 | -176.1 | -167 | 0 | 0 | 106.8 | | |
| 2 | S | 48 | Very low | 57.3 | Low | 117 Ų | 117 | 148.6 Ų | 148.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -98.7 | 124 | -169 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 3 | E | 57.5 | Low | 57.6 | Low | 154 Ų | 154 | 151.4 Ų | 151.4 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | trans | 59 | 89.5 | 136.1 | -62.2 | -164.9 | 165.2 | 0 | 0 | 118.5 | L5 | E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 HydrophobicContact CB-CD1 4.24Å; E3-L5 HydrophobicContact CB-CG 4.07Å; E3-L5 PolarHBondContact O-N 3.24Å; E3-L5 VanDerWaalsContact O-N 3.12Å; E3-L5 VanDerWaalsContact OE2-CD1 3.26Å; E3-L5 WeakPolarHBondContact OE2-CD1 3.26Å |
| 4 | L | 61.5 | Low | 58 | Low | 157 Ų | 157 | 157.5 Ų | 157.5 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -73.5 | 82 | 149.3 | -179 | 64.8 | 0 | 0 | 0 | 109 | R6 | L4-R6 PolarHBondContact O-N 3.24Š|
| 5 | L | 58.5 | Low | 57.8 | Low | 136 Ų | 136 | 151.7 Ų | 151.7 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | | | trans | -96.3 | 78.5 | 168.4 | -68.6 | 174 | 0 | 0 | 0 | 109.3 | E3 A7 | E3-L5 VanDerWaalsContact C-N 3.27Å; E3-L5 HydrophobicContact CB-CD1 4.24Å; E3-L5 HydrophobicContact CB-CG 4.07Å; E3-L5 PolarHBondContact O-N 3.24Å; E3-L5 VanDerWaalsContact O-N 3.12Å; E3-L5 VanDerWaalsContact OE2-CD1 3.26Å; E3-L5 WeakPolarHBondContact OE2-CD1 3.26Å; L5-A7 PolarHBondContact O-N 3.38Å |
| 6 | R | 60.5 | Low | 57.9 | Low | 219 Ų | 219 | 151.5 Ų | 151.5 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -69.6 | 122.4 | 168.5 | -174.8 | 171.4 | -68.7 | -104.6 | -1.6 | 108.3 | L4 | L4-R6 PolarHBondContact O-N 3.24Š|
| 7 | A | 57 | Low | 58.3 | Low | 82 Ų | 82 | 149.8 Ų | 149.8 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | trans | -50 | 134.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L5 S9 | L5-A7 PolarHBondContact O-N 3.38Å; A7-S9 PolarHBondContact O-N 3.47Å |
| 8 | R | 62.9 | Low | 58.5 | Low | 200 Ų | 200 | 150.1 Ų | 150.1 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | 1.7 | 98.2 | 148.4 | -167.5 | -173.4 | -159.1 | -137 | 8.1 | 115 | Q10 | R8-Q10 HydrophobicContact CG-CG 3.98Å; R8-Q10 VanDerWaalsContact CZ-CD 3.41Å; R8-Q10 VanDerWaalsContact NH1-OE1 3.08Å |
| 9 | S | 53.8 | Low | 58.4 | Low | 117 Ų | 117 | 150.3 Ų | 150.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -103.1 | 90.7 | 158.1 | -67.8 | 0 | 0 | 0 | 0 | 107.8 | A7 S11 | A7-S9 PolarHBondContact O-N 3.47Å; S9-S11 PolarHBondContact O-N 3.2Å; S9-S11 VanDerWaalsContact O-N 3.17Å |
| 10 | Q | 61.2 | Low | 58.7 | Low | 142 Ų | 142 | 148.8 Ų | 148.8 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | | | trans | -74.9 | 94.5 | 165.6 | -74.8 | -171.2 | -63.4 | 0 | 0 | 107.5 | R8 S12 | R8-Q10 HydrophobicContact CG-CG 3.98Å; R8-Q10 VanDerWaalsContact CZ-CD 3.41Å; R8-Q10 VanDerWaalsContact NH1-OE1 3.08Å; Q10-S12 PolarHBondContact O-N 3.17Å |
| 11 | S | 59.7 | Low | 59.3 | Low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -80.3 | 100.6 | 168.2 | 58.5 | 0 | 0 | 0 | 0 | 108.9 | S9 | S9-S11 PolarHBondContact O-N 3.2Å; S9-S11 VanDerWaalsContact O-N 3.17Å |
| 12 | S | 59.8 | Low | 60.2 | Low | 100 Ų | 100 | 142.7 Ų | 142.7 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | 15 | 106.7 | 149.8 | -164.5 | 0 | 0 | 0 | 0 | 116.6 | Q10 R14 | Q10-S12 PolarHBondContact O-N 3.17Å; S12-R14 PolarHBondContact O-N 3.12Å |
| 13 | E | 61.2 | Low | 60.9 | Low | 185 Ų | 185 | 142.8 Ų | 142.8 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | trans | -34.5 | 115.2 | 152.7 | -168.4 | 84.1 | 58.6 | 0 | 0 | 110.2 | | |
| 14 | R | 63.1 | Low | 61 | Low | 237 Ų | 237 | 142.4 Ų | 142.4 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | | | trans | -134.7 | 106.4 | 173.6 | -152.1 | 179.7 | -161.3 | 136.8 | 2.3 | 108.1 | S12 | S12-R14 PolarHBondContact O-N 3.12Š|
| 15 | G | 55.6 | Low | 60.7 | Low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | trans | 70.8 | 86.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115 | D17 | G15-D17 PolarHBondContact O-N 3.35Š|
| 16 | N | 59.3 | Low | 60.7 | Low | 149 Ų | 149 | 136.8 Ų | 136.8 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | -69.2 | 110.6 | 142.5 | -166.2 | -89.6 | 0 | 0 | 0 | 106.3 | | |
| 17 | D | 65.2 | Low | 60.5 | Low | 122 Ų | 122 | 132.6 Ų | 132.6 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | | | trans | -174 | 110 | 143.3 | -88.8 | -41.7 | 0 | 0 | 0 | 111 | G15 | G15-D17 PolarHBondContact O-N 3.35Š|
| 18 | Q | 61.5 | Low | 60.6 | Low | 155 Ų | 155 | 134.9 Ų | 134.9 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | trans | 80.2 | 140.4 | 135.7 | -65.4 | 164.5 | 65.8 | 0 | 0 | 120.9 | | |
| 19 | E | 55.7 | Low | 60.3 | Low | 154 Ų | 154 | 131.3 Ų | 131.3 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | trans | 61.5 | 88.9 | 165.3 | 72.1 | -153.6 | 94.8 | 0 | 0 | 119.8 | S21 | E19-S21 PolarHBondContact O-N 2.84Š|
| 20 | S | 64.2 | Low | 60.1 | Low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -56 | 79.6 | 144.7 | 49.7 | 0 | 0 | 0 | 0 | 111 | Q22 | S20-Q22 PolarHBondContact O-N 3.14Å; S20-Q22 VanDerWaalsContact O-N 3.14Å |
| 21 | S | 71.9 | Confident | 59.8 | Low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | | | trans | -69.5 | 105 | 162.4 | -55.6 | 0 | 0 | 0 | 0 | 107.4 | E19 | E19-S21 PolarHBondContact O-N 2.84Š|
| 22 | Q | 66.3 | Low | 59.6 | Low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 145.5 | 174 | -76.1 | -150.6 | -34.5 | 0 | 0 | 110.6 | S20 V24 | S20-Q22 PolarHBondContact O-N 3.14Å; S20-Q22 VanDerWaalsContact O-N 3.14Å; Q22-V24 PolarHBondContact O-N 3.08Å; Q22-V24 VanDerWaalsContact O-N 3.08Å |
| 23 | P | 61.9 | Low | 59.5 | Low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 117.7 | 179.8 | 26.5 | -33.1 | 0 | 0 | 0 | 108.8 | G25 | P23-G25 PolarHBondContact O-N 3.29Š|
| 24 | V | 60.7 | Low | 59.1 | Low | 146 Ų | 146 | 136.5 Ų | 136.5 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 120.8 | 167.8 | -152.6 | 0 | 0 | 0 | 0 | 106.1 | Q22 S26 | Q22-V24 PolarHBondContact O-N 3.08Å; Q22-V24 VanDerWaalsContact O-N 3.08Å; V24-S26 PolarHBondContact O-N 3.17Å |
| 25 | G | 54.2 | Low | 58.8 | Low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | | | trans | -45.6 | 127.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P23 V27 | P23-G25 PolarHBondContact O-N 3.29Å; G25-V27 PolarHBondContact O-N 3Å |
| 26 | S | 59.8 | Low | 58.5 | Low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | -53 | 110.4 | 169.5 | -173 | 0 | 0 | 0 | 0 | 107.8 | V24 I28 | V24-S26 PolarHBondContact O-N 3.17Å; S26-I28 VanDerWaalsContact C-N 3.31Å; S26-I28 PolarHBondContact O-N 2.85Å |
| 27 | V | 55.6 | Low | 58.5 | Low | 131 Ų | 131 | 140.7 Ų | 140.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | -56.7 | 102.5 | 167.2 | 164.1 | 0 | 0 | 0 | 0 | 106 | G25 V29 | G25-V27 PolarHBondContact O-N 3Å; V27-V29 PolarHBondContact O-N 3.06Å |
| 28 | I | 59.8 | Low | 57.7 | Low | 130 Ų | 130 | 143.8 Ų | 143.8 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | | | trans | -62.6 | 109.8 | 175.2 | 17 | 176.6 | 0 | 0 | 0 | 106.3 | S26 Q30 | S26-I28 VanDerWaalsContact C-N 3.31Å; S26-I28 PolarHBondContact O-N 2.85Å; I28-Q30 VanDerWaalsContact C-N 3.35Å; I28-Q30 PolarHBondContact O-N 3.42Å |
| 29 | V | 55.7 | Low | 57.4 | Low | 126 Ų | 126 | 146 Ų | 146 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | -49.9 | 103.2 | 158.2 | 171.5 | 0 | 0 | 0 | 0 | 106.5 | V27 E31 | V27-V29 PolarHBondContact O-N 3.06Å; V29-E31 HydrophobicContact CG1-CG 3.98Å; V29-E31 PolarHBondContact O-N 2.96Å |
| 30 | Q | 50.6 | Low | 57.3 | Low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -90.2 | 92 | 169.8 | -75.6 | 172.9 | 89.6 | 0 | 0 | 107 | I28 | I28-Q30 VanDerWaalsContact C-N 3.35Å; I28-Q30 PolarHBondContact O-N 3.42Å |
| 31 | E | 53.9 | Low | 56.5 | Low | 163 Ų | 163 | 150 Ų | 150 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -72.4 | 141.1 | 152.7 | -62.2 | -111.2 | 104.6 | 0 | 0 | 107 | V29 | V29-E31 HydrophobicContact CG1-CG 3.98Å; V29-E31 PolarHBondContact O-N 2.96Å |
| 32 | P | 56.3 | Low | 55.6 | Low | 114 Ų | 114 | 150.4 Ų | 150.4 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -77.2 | 127.7 | -153.7 | 31 | -33.8 | 0 | 0 | 0 | 111.7 | E34 | P32-E34 VanDerWaalsContact C-N 3.27Å; P32-E34 PolarHBondContact O-N 2.8Å |
| 33 | T | 56.7 | Low | 55.1 | Low | 150 Ų | 150 | 148.1 Ų | 148.1 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | | | trans | -75.7 | 89.5 | 170 | -13 | 0 | 0 | 0 | 0 | 108.8 | E35 | T33-E35 PolarHBondContact O-N 2.77Š|
| 34 | E | 53.8 | Low | 54.4 | Low | 168 Ų | 168 | 148.4 Ų | 148.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -42.4 | 126.1 | 164 | -173.9 | 157.6 | 148.6 | 0 | 0 | 111.1 | P32 | P32-E34 VanDerWaalsContact C-N 3.27Å; P32-E34 PolarHBondContact O-N 2.8Å |
| 35 | E | 56.3 | Low | 54.1 | Low | 132 Ų | 132 | 148.3 Ų | 148.3 | 62% | 0.617 | 78% | 0.783 | S | S | * | * | | | trans | 35.7 | 102.7 | 142.9 | -167 | -171.1 | 111.2 | 0 | 0 | 116.4 | T33 | T33-E35 PolarHBondContact O-N 2.77Š|
| 36 | K | 50.3 | Low | 54.3 | Low | 189 Ų | 189 | 152.2 Ų | 152.2 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -167.1 | 95.3 | 132 | -102.2 | 147.2 | -166.3 | 162.8 | 0 | 113.3 | Q38 | K36-Q38 PolarHBondContact O-N 3.2Š|
| 37 | R | 59.1 | Low | 54.3 | Low | 222 Ų | 222 | 156 Ų | 156 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -3 | 110.7 | 141.4 | -59.4 | -179.3 | -174.9 | 133.1 | 5.3 | 114.4 | | |
| 38 | Q | 47.9 | Very low | 54.4 | Low | 188 Ų | 188 | 152.8 Ų | 152.8 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -139.2 | 122.4 | 139.9 | -67.8 | -165.8 | -84.2 | 0 | 0 | 107.8 | K36 E40 | K36-Q38 PolarHBondContact O-N 3.2Å; Q38-E40 PolarHBondContact O-N 2.82Å |
| 39 | E | 53.9 | Low | 54.5 | Low | 201 Ų | 201 | 152 Ų | 152 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | | | trans | -32 | 114.7 | 161.7 | -83.3 | 150 | 83.8 | 0 | 0 | 111.7 | | |
| 40 | E | 53.7 | Low | 55.3 | Low | 192 Ų | 192 | 150.6 Ų | 150.6 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | | | trans | -97.5 | 129.9 | 150 | -162.3 | 169.1 | 130.9 | 0 | 0 | 106 | Q38 | Q38-E40 PolarHBondContact O-N 2.82Š|
| 41 | E | 49.1 | Very low | 55.8 | Low | 166 Ų | 166 | 149.1 Ų | 149.1 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -45.9 | 155.5 | -173.9 | -96.3 | -172.4 | 112 | 0 | 0 | 114.3 | | |
| 42 | P | 53 | Low | 56.6 | Low | 104 Ų | 104 | 148.1 Ų | 148.1 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | trans | -57.2 | 140.8 | 169.4 | 27.7 | -33.8 | 0 | 0 | 0 | 109.6 | T44 | P42-T44 PolarHBondContact O-N 2.89Š|
| 43 | P | 53.9 | Low | 57.3 | Low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | | | trans | -59.8 | 127.7 | -173.8 | 24.4 | -32.4 | 0 | 0 | 0 | 108.9 | D45 | P43-D45 PolarHBondContact O-N 2.77Š|
| 44 | T | 47.8 | Very low | 58 | Low | 126 Ų | 126 | 141.7 Ų | 141.7 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | | | trans | -64.7 | 93 | 169.1 | -59.1 | 0 | 0 | 0 | 0 | 107.3 | P42 N46 | P42-T44 PolarHBondContact O-N 2.89Å; T44-N46 PolarHBondContact O-N 3.43Å; T44-N46 VanDerWaalsContact O-N 3.08Å |
| 45 | D | 55.5 | Low | 59.1 | Low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -43 | 108.7 | 163.5 | -171.4 | 18.9 | 0 | 0 | 0 | 108.3 | P43 | P43-D45 PolarHBondContact O-N 2.77Š|
| 46 | N | 56.7 | Low | 60 | Low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 173.7 | 6.3 | 157.6 | -96.1 | -64.2 | 0 | 0 | 0 | 116.6 | T44 | T44-N46 PolarHBondContact O-N 3.43Å; T44-N46 VanDerWaalsContact O-N 3.08Å |
| 47 | Q | 60.6 | Low | 60.9 | Low | 191 Ų | 191 | 137.2 Ų | 137.2 | 89% | 0.893 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -140.7 | 61.6 | 174.2 | -67.6 | -160.6 | 10.4 | 0 | 0 | 114.2 | | |
| 48 | G | 57.9 | Low | 61.4 | Low | 63 Ų | 63 | 129.9 Ų | 129.9 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | | | trans | 64.1 | 163.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D50 | G48-D50 PolarHBondContact O-N 3.21Š|
| 49 | P | 61.4 | Low | 62.3 | Low | 113 Ų | 113 | 123.7 Ų | 123.7 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | | | trans | -63.9 | 115 | 168.6 | 26.2 | -29.6 | 0 | 0 | 0 | 106.8 | M51 | P49-M51 VanDerWaalsContact C-N 3.31Å; P49-M51 PolarHBondContact O-N 3.01Å |
| 50 | D | 73 | Confident | 62.9 | Low | 98 Ų | 98 | 120.2 Ų | 120.2 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | | | trans | -58.2 | 102.8 | 169 | 176.5 | 22.5 | 0 | 0 | 0 | 107 | G48 E52 A53 F54 | G48-D50 PolarHBondContact O-N 3.21Å; D50-E52 PolarHBondContact O-N 3.19Å; D50-E52 WeakPolarHBondContact OD1-CB 3.46Å; D50-E52 PolarHBondContact OD1-N 2.71Å; D50-E52 VanDerWaalsContact OD1-N 3.09Å; D50-A53 HydrophobicContact CB-CB 3.92Å; D50-A53 PolarHBondContact O-N 3.09Å; D50-A53 VanDerWaalsContact O-N 3.17Å; D50-A53 VanDerWaalsContact OD2-CB 3.28Å; D50-A53 WeakPolarHBondContact OD2-CB 2.93Å; D50-A53 PolarHBondContact OD2-N 3.01Å; D50-A53 VanDerWaalsContact OD2-N 3.1Å; D50-F54 PolarHBondContact O-N 3.45Å |
| 51 | M | 61.4 | Low | 63.5 | Low | 140 Ų | 140 | 117 Ų | 117 | 69% | 0.69 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -59.9 | -28.9 | -178.8 | -70.2 | -164.5 | 68.1 | 0 | 0 | 109.9 | P49 Q55 | P49-M51 VanDerWaalsContact C-N 3.31Å; P49-M51 PolarHBondContact O-N 3.01Å; M51-Q55 WeakPolarHBondContact O-CB 3.17Å; M51-Q55 WeakPolarHBondContact O-CG 3.44Å; M51-Q55 PolarHBondContact O-N 3.25Å |
| 52 | E | 70 | Confident | 64.1 | Low | 142 Ų | 142 | 117 Ų | 117 | 66% | 0.664 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.6 | -50.2 | 176.7 | -149.2 | 95.5 | -166.2 | 0 | 0 | 110.6 | D50 F54 Q55 Q56 | D50-E52 PolarHBondContact O-N 3.19Å; D50-E52 WeakPolarHBondContact OD1-CB 3.46Å; D50-E52 PolarHBondContact OD1-N 2.71Å; D50-E52 VanDerWaalsContact OD1-N 3.09Å; E52-F54 VanDerWaalsContact C-N 3.33Å; E52-F54 PolarHBondContact O-N 3.29Å; E52-Q55 WeakPolarHBondContact O-CB 3.39Å; E52-Q55 PolarHBondContact O-N 3.43Å; E52-Q56 WeakPolarHBondContact O-CG 3.28Å; E52-Q56 PolarHBondContact O-N 2.82Å |
| 53 | A | 70.8 | Confident | 64.4 | Low | 46 Ų | 46 | 118.9 Ų | 118.9 | 38% | 0.38 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -60 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | D50 Q55 Q56 E57 | D50-A53 HydrophobicContact CB-CB 3.92Å; D50-A53 PolarHBondContact O-N 3.09Å; D50-A53 VanDerWaalsContact O-N 3.17Å; D50-A53 VanDerWaalsContact OD2-CB 3.28Å; D50-A53 WeakPolarHBondContact OD2-CB 2.93Å; D50-A53 PolarHBondContact OD2-N 3.01Å; D50-A53 VanDerWaalsContact OD2-N 3.1Å; A53-Q55 VanDerWaalsContact C-N 3.32Å; A53-Q55 PolarHBondContact O-N 3.16Å; A53-Q56 PolarHBondContact O-N 3.39Å; A53-Q56 VanDerWaalsContact O-N 3.16Å; A53-E57 PolarHBondContact O-N 2.83Å |
| 54 | F | 71.8 | Confident | 64.8 | Low | 83 Ų | 83 | 121.5 Ų | 121.5 | 36% | 0.364 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.2 | -33.3 | 177.6 | -168.7 | -104.2 | 0 | 0 | 0 | 112.4 | D50 E52 E57 L58 L83 | D50-F54 PolarHBondContact O-N 3.45Å; E52-F54 VanDerWaalsContact C-N 3.33Å; E52-F54 PolarHBondContact O-N 3.29Å; F54-E57 PolarHBondContact O-N 2.94Å; F54-L58 HydrophobicContact CD1-CD1 3.73Å; F54-L58 HydrophobicContact CD1-CG 4.1Å; F54-L58 HydrophobicContact CE1-CD1 3.48Å; F54-L58 VanDerWaalsContact CE1-CD1 3.48Å; F54-L58 HydrophobicContact CE1-CD2 4.31Å; F54-L58 HydrophobicContact CE1-CG 3.86Å; F54-L58 HydrophobicContact CZ-CD1 4.31Å; F54-L58 HydrophobicContact CZ-CD2 4.35Å; F54-L58 HydrophobicContact CZ-CG 4.25Å; F54-L58 VanDerWaalsContact O-CB 3.31Å; F54-L58 WeakPolarHBondContact O-CB 3.02Å; F54-L58 VanDerWaalsContact O-CG 3.25Å; F54-L58 WeakPolarHBondContact O-CG 3.34Å; F54-L58 PolarHBondContact O-N 3.47Å; F54-L83 HydrophobicContact CE2-CD2 3.81Å; F54-L83 HydrophobicContact CZ-CD2 3.43Å; F54-L83 VanDerWaalsContact CZ-CD2 3.43Å |
| 55 | Q | 76.2 | Confident | 65.3 | Low | 129 Ų | 129 | 122 Ų | 122 | 60% | 0.603 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.4 | -37.8 | 171.6 | -67.9 | -111 | 26.1 | 0 | 0 | 111.6 | M51 E52 A53 A59 | M51-Q55 WeakPolarHBondContact O-CB 3.17Å; M51-Q55 WeakPolarHBondContact O-CG 3.44Å; M51-Q55 PolarHBondContact O-N 3.25Å; E52-Q55 WeakPolarHBondContact O-CB 3.39Å; E52-Q55 PolarHBondContact O-N 3.43Å; A53-Q55 VanDerWaalsContact C-N 3.32Å; A53-Q55 PolarHBondContact O-N 3.16Å; Q55-A59 WeakPolarHBondContact O-CB 3.45Å; Q55-A59 PolarHBondContact O-N 3.23Å |
| 56 | Q | 76.1 | Confident | 65.4 | Low | 132 Ų | 132 | 123.5 Ų | 123.5 | 62% | 0.617 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.1 | -41.3 | 175.4 | -67.8 | -167.5 | 94.1 | 0 | 0 | 111.5 | E52 A53 A59 L60 | E52-Q56 WeakPolarHBondContact O-CG 3.28Å; E52-Q56 PolarHBondContact O-N 2.82Å; A53-Q56 PolarHBondContact O-N 3.39Å; A53-Q56 VanDerWaalsContact O-N 3.16Å; Q56-A59 PolarHBondContact O-N 2.88Å; Q56-L60 VanDerWaalsContact O-CG 3.32Å; Q56-L60 WeakPolarHBondContact O-CG 3.19Å; Q56-L60 PolarHBondContact O-N 2.86Å |
| 57 | E | 68.9 | Low | 65.5 | Low | 135 Ų | 135 | 122.5 Ų | 122.5 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.3 | -40.5 | 176 | -155.3 | 176.3 | -147.5 | 0 | 0 | 111.5 | A53 F54 L60 L61 | A53-E57 PolarHBondContact O-N 2.83Å; F54-E57 PolarHBondContact O-N 2.94Å; E57-L60 PolarHBondContact O-N 3.47Å; E57-L61 WeakPolarHBondContact O-CB 3.32Å; E57-L61 PolarHBondContact O-N 2.95Å |
| 58 | L | 70.3 | Confident | 65.4 | Low | 68 Ų | 68 | 115.9 Ų | 115.9 | 36% | 0.356 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.1 | -41.5 | 169.8 | -75.7 | 178.2 | 0 | 0 | 0 | 112.2 | F54 L60 L61 K62 | F54-L58 HydrophobicContact CD1-CD1 3.73Å; F54-L58 HydrophobicContact CD1-CG 4.1Å; F54-L58 HydrophobicContact CE1-CD1 3.48Å; F54-L58 VanDerWaalsContact CE1-CD1 3.48Å; F54-L58 HydrophobicContact CE1-CD2 4.31Å; F54-L58 HydrophobicContact CE1-CG 3.86Å; F54-L58 HydrophobicContact CZ-CD1 4.31Å; F54-L58 HydrophobicContact CZ-CD2 4.35Å; F54-L58 HydrophobicContact CZ-CG 4.25Å; F54-L58 VanDerWaalsContact O-CB 3.31Å; F54-L58 WeakPolarHBondContact O-CB 3.02Å; F54-L58 VanDerWaalsContact O-CG 3.25Å; F54-L58 WeakPolarHBondContact O-CG 3.34Å; F54-L58 PolarHBondContact O-N 3.47Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 3.45Å; L58-L61 CarbonylContact O-C 3.49Å; L58-L61 PolarHBondContact O-N 3.17Å; L58-L61 VanDerWaalsContact O-N 3.09Å; L58-K62 WeakPolarHBondContact O-CB 3.48Å; L58-K62 WeakPolarHBondContact O-CG 2.94Å; L58-K62 PolarHBondContact O-N 3.1Å |
| 59 | A | 67.3 | Low | 65.7 | Low | 57 Ų | 57 | 121.5 Ų | 121.5 | 47% | 0.471 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.5 | -36.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q55 Q56 L61 K62 | Q55-A59 WeakPolarHBondContact O-CB 3.45Å; Q55-A59 PolarHBondContact O-N 3.23Å; Q56-A59 PolarHBondContact O-N 2.88Å; A59-L61 VanDerWaalsContact C-N 3.35Å; A59-K62 PolarHBondContact O-N 3.19Å |
| 60 | L | 65.2 | Low | 65.9 | Low | 128 Ų | 128 | 118.1 Ų | 118.1 | 67% | 0.67 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.8 | -28.6 | 171.5 | -68.7 | 172.3 | 0 | 0 | 0 | 112.6 | Q56 E57 L58 I63 | Q56-L60 VanDerWaalsContact O-CG 3.32Å; Q56-L60 WeakPolarHBondContact O-CG 3.19Å; Q56-L60 PolarHBondContact O-N 2.86Å; E57-L60 PolarHBondContact O-N 3.47Å; L58-L60 VanDerWaalsContact C-N 3.31Å; L58-L60 PolarHBondContact O-N 3.45Å; L60-I63 HydrophobicContact CD2-CD1 4.46Å; L60-I63 WeakPolarHBondContact O-CD1 3.31Å; L60-I63 WeakPolarHBondContact O-CG1 3.25Å |
| 61 | L | 66.1 | Low | 65.2 | Low | 124 Ų | 124 | 119.3 Ų | 119.3 | 65% | 0.649 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -81.7 | -19.6 | 174.6 | -169.4 | 62.4 | 0 | 0 | 0 | 113 | E57 L58 A59 | E57-L61 WeakPolarHBondContact O-CB 3.32Å; E57-L61 PolarHBondContact O-N 2.95Å; L58-L61 CarbonylContact O-C 3.49Å; L58-L61 PolarHBondContact O-N 3.17Å; L58-L61 VanDerWaalsContact O-N 3.09Å; A59-L61 VanDerWaalsContact C-N 3.35Å |
| 62 | K | 61.3 | Low | 65.3 | Low | 168 Ų | 168 | 120.6 Ų | 120.6 | 73% | 0.73 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -83.7 | -6.6 | -179.8 | -73.3 | -85.8 | 91.7 | -172.9 | 0 | 114.1 | L58 A59 E64 | L58-K62 WeakPolarHBondContact O-CB 3.48Å; L58-K62 WeakPolarHBondContact O-CG 2.94Å; L58-K62 PolarHBondContact O-N 3.1Å; A59-K62 PolarHBondContact O-N 3.19Å; K62-E64 PolarHBondContact O-N 3.09Å |
| 63 | I | 60.5 | Low | 64.8 | Low | 142 Ų | 142 | 120 Ų | 120 | 73% | 0.728 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -86.9 | 29.2 | 178.3 | 42.8 | 165.8 | 0 | 0 | 0 | 113.4 | L60 | L60-I63 HydrophobicContact CD2-CD1 4.46Å; L60-I63 WeakPolarHBondContact O-CD1 3.31Å; L60-I63 WeakPolarHBondContact O-CG1 3.25Å |
| 64 | E | 61.9 | Low | 64.1 | Low | 178 Ų | 178 | 128.9 Ų | 128.9 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -128.1 | 129.5 | 165.8 | -161.8 | 170.1 | -167.8 | 0 | 0 | 109.4 | K62 | K62-E64 PolarHBondContact O-N 3.09Š|
| 65 | D | 57.9 | Low | 63.4 | Low | 137 Ų | 137 | 133.9 Ų | 133.9 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | | | trans | 92.9 | 75.8 | -179.3 | -145.1 | 47.6 | 0 | 0 | 0 | 116.4 | P67 | D65-P67 WeakPolarHBondContact O-CD 3.28Š|
| 66 | E | 57.4 | Low | 62.4 | Low | 175 Ų | 175 | 130.7 Ų | 130.7 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | | | trans | -69.5 | 118.7 | 154.4 | -179.7 | -172.6 | 161.8 | 0 | 0 | 107.7 | G68 | E66-G68 PolarHBondContact O-N 3.3Š|
| 67 | P | 60 | Low | 61.5 | Low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | | | trans | -76.7 | 76.7 | 177.8 | 31.7 | -32.9 | 0 | 0 | 0 | 108.9 | D65 | D65-P67 WeakPolarHBondContact O-CD 3.28Š|
| 68 | G | 57.9 | Low | 60.5 | Low | 53 Ų | 53 | 132.3 Ų | 132.3 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | | | trans | -68.5 | 133.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E66 G70 | E66-G68 PolarHBondContact O-N 3.3Å; G68-G70 PolarHBondContact O-N 2.94Å |
| 69 | D | 63.7 | Low | 59.9 | Low | 181 Ų | 181 | 134.5 Ų | 134.5 | 97% | 0.968 | 74% | 0.738 | S | S | * | * | | | trans | -66.1 | 80.9 | 170.8 | -173.2 | 33.6 | 0 | 0 | 0 | 109.9 | | |
| 70 | G | 66.4 | Low | 59.7 | Low | 42 Ų | 42 | 138 Ų | 138 | 43% | 0.433 | 75% | 0.754 | S | S | . | * | | | trans | -119.8 | 162.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G68 D72 | G68-G70 PolarHBondContact O-N 2.94Å; G70-D72 PolarHBondContact O-N 2.9Å |
| 71 | P | 58.8 | Low | 59.2 | Low | 122 Ų | 122 | 138.9 Ų | 138.9 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -63.4 | 120.4 | -164 | 27.6 | -34.3 | 0 | 0 | 0 | 111.7 | V73 | P71-V73 VanDerWaalsContact O-CG2 3.28Å; P71-V73 WeakPolarHBondContact O-CG2 3.39Å; P71-V73 PolarHBondContact O-N 3.4Å |
| 72 | D | 63.4 | Low | 59 | Low | 167 Ų | 167 | 137.1 Ų | 137.1 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | | | trans | -5.7 | 78 | 175.4 | -85.8 | -49.2 | 0 | 0 | 0 | 115.2 | G70 R74 | G70-D72 PolarHBondContact O-N 2.9Å; D72-R74 PolarHBondContact O-N 3.22Å |
| 73 | V | 59.3 | Low | 58.5 | Low | 130 Ų | 130 | 132.1 Ų | 132.1 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | | | trans | -90 | 89.3 | 169.9 | -135.5 | 0 | 0 | 0 | 0 | 106.4 | P71 E75 | P71-V73 VanDerWaalsContact O-CG2 3.28Å; P71-V73 WeakPolarHBondContact O-CG2 3.39Å; P71-V73 PolarHBondContact O-N 3.4Å; V73-E75 PolarHBondContact O-N 2.73Å |
| 74 | R | 56.2 | Low | 58.3 | Low | 232 Ų | 232 | 129.9 Ų | 129.9 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | | | trans | -5.6 | 107.4 | 164 | -35.9 | 174.5 | -168 | -78.2 | -7.2 | 112 | D72 G76 | D72-R74 PolarHBondContact O-N 3.22Å; R74-G76 PolarHBondContact O-N 3.05Å |
| 75 | E | 56.9 | Low | 58.2 | Low | 188 Ų | 188 | 127.2 Ų | 127.2 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | | | trans | -54.8 | 82 | 169.1 | -175.1 | -176.2 | -164.7 | 0 | 0 | 109.8 | V73 I77 | V73-E75 PolarHBondContact O-N 2.73Å; E75-I77 PolarHBondContact O-N 2.8Å |
| 76 | G | 54.3 | Low | 58.4 | Low | 63 Ų | 63 | 124.4 Ų | 124.4 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | | | trans | -84 | 91.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | R74 M78 | R74-G76 PolarHBondContact O-N 3.05Å; G76-M78 PolarHBondContact O-N 2.85Å |
| 77 | I | 57.1 | Low | 58.4 | Low | 148 Ų | 148 | 122.1 Ų | 122.1 | 76% | 0.759 | 68% | 0.684 | S | S | * | * | | | trans | -15 | 101.2 | 167.6 | 41.4 | 167 | 0 | 0 | 0 | 111.7 | E75 | E75-I77 PolarHBondContact O-N 2.8Š|
| 78 | M | 48.7 | Very low | 58.5 | Low | 153 Ų | 153 | 122.4 Ų | 122.4 | 75% | 0.754 | 67% | 0.674 | S | S | * | * | | | trans | -49.8 | 126.3 | 171.1 | -149 | 174.8 | 66.2 | 0 | 0 | 106.2 | G76 T80 | G76-M78 PolarHBondContact O-N 2.85Å; M78-T80 PolarHBondContact O-N 2.89Å |
| 79 | P | 58.5 | Low | 58.8 | Low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | | | trans | -55.3 | 113.8 | -176.6 | 19.7 | -29.3 | 0 | 0 | 0 | 106.7 | F81 | P79-F81 PolarHBondContact O-N 3.33Š|
| 80 | T | 61.4 | Low | 58.5 | Low | 130 Ų | 130 | 118.6 Ų | 118.6 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | | | trans | -58.2 | 97.8 | 177 | -38 | 0 | 0 | 0 | 0 | 105.3 | M78 D82 | M78-T80 PolarHBondContact O-N 2.89Å; T80-D82 PolarHBondContact O-N 2.82Å |
| 81 | F | 55.8 | Low | 58.2 | Low | 147 Ų | 147 | 123.9 Ų | 123.9 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | | | trans | -66.3 | 96.2 | 177.3 | -177.9 | -100.9 | 0 | 0 | 0 | 105.4 | P79 L83 V86 | P79-F81 PolarHBondContact O-N 3.33Å; F81-L83 VanDerWaalsContact C-N 3.28Å; F81-L83 HydrophobicContact CD1-CD1 4.22Å; F81-L83 HydrophobicContact CE1-CD1 3.72Å; F81-L83 PolarHBondContact O-N 3.03Å; F81-V86 HydrophobicContact CE1-CG2 4.02Å; F81-V86 HydrophobicContact CE2-CG2 3.99Å; F81-V86 HydrophobicContact CZ-CB 4.44Å; F81-V86 HydrophobicContact CZ-CG2 3.53Å |
| 82 | D | 60.5 | Low | 58.4 | Low | 87 Ų | 87 | 122.6 Ų | 122.6 | 47% | 0.465 | 69% | 0.687 | S | S | . | * | | | trans | -76.3 | 87.6 | -172.1 | -158.1 | 4.8 | 0 | 0 | 0 | 106.9 | T80 T84 K85 | T80-D82 PolarHBondContact O-N 2.82Å; D82-T84 PolarHBondContact O-N 3.1Å; D82-K85 HydrophobicContact CB-CG 3.93Å; D82-K85 WeakPolarHBondContact O-CB 3.33Å; D82-K85 PolarHBondContact O-N 3.1Å |
| 83 | L | 51.6 | Low | 57.6 | Low | 64 Ų | 64 | 123.4 Ų | 123.4 | 34% | 0.335 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -55.5 | -28.2 | -172 | -169.3 | 69.1 | 0 | 0 | 0 | 111.8 | F54 F81 K85 V86 L87 | F54-L83 HydrophobicContact CE2-CD2 3.81Å; F54-L83 HydrophobicContact CZ-CD2 3.43Å; F54-L83 VanDerWaalsContact CZ-CD2 3.43Å; F81-L83 VanDerWaalsContact C-N 3.28Å; F81-L83 HydrophobicContact CD1-CD1 4.22Å; F81-L83 HydrophobicContact CE1-CD1 3.72Å; F81-L83 PolarHBondContact O-N 3.03Å; L83-K85 VanDerWaalsContact C-N 3.26Å; L83-K85 PolarHBondContact O-N 3.08Å; L83-V86 PolarHBondContact O-N 2.78Å; L83-V86 VanDerWaalsContact O-N 3.1Å; L83-L87 HydrophobicContact CD2-CD1 4.45Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 WeakPolarHBondContact O-CD1 3.47Å; L83-L87 PolarHBondContact O-N 3.18Å; L83-L87 VanDerWaalsContact O-N 3.1Å |
| 84 | T | 56.6 | Low | 57.5 | Low | 94 Ų | 94 | 126.8 Ų | 126.8 | 58% | 0.577 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -58.9 | -34.2 | 173.4 | -47.8 | 0 | 0 | 0 | 0 | 112.8 | D82 V86 E88 | D82-T84 PolarHBondContact O-N 3.1Å; T84-V86 VanDerWaalsContact C-N 3.34Å; T84-E88 WeakPolarHBondContact O-CB 3.35Å; T84-E88 PolarHBondContact O-N 3.35Å; T84-E88 VanDerWaalsContact O-N 3.11Å |
| 85 | K | 59.6 | Low | 57.5 | Low | 123 Ų | 123 | 121.5 Ų | 121.5 | 54% | 0.535 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -72.7 | -26.8 | 176.1 | -61.4 | -63.7 | 172.1 | -164.3 | 0 | 113.5 | D82 L83 E88 | D82-K85 HydrophobicContact CB-CG 3.93Å; D82-K85 WeakPolarHBondContact O-CB 3.33Å; D82-K85 PolarHBondContact O-N 3.1Å; L83-K85 VanDerWaalsContact C-N 3.26Å; L83-K85 PolarHBondContact O-N 3.08Å; K85-E88 IonicContact NZ-OE2 3.35Å; K85-E88 PolarHBondContact NZ-OE2 3.47Å |
| 86 | V | 61.6 | Low | 57.6 | Low | 78 Ų | 78 | 118 Ų | 118 | 47% | 0.473 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -81.4 | -37 | 178.9 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | F81 L83 T84 A89 | F81-V86 HydrophobicContact CE1-CG2 4.02Å; F81-V86 HydrophobicContact CE2-CG2 3.99Å; F81-V86 HydrophobicContact CZ-CB 4.44Å; F81-V86 HydrophobicContact CZ-CG2 3.53Å; L83-V86 PolarHBondContact O-N 2.78Å; L83-V86 VanDerWaalsContact O-N 3.1Å; T84-V86 VanDerWaalsContact C-N 3.34Å; V86-A89 PolarHBondContact O-N 3.31Å |
| 87 | L | 57.6 | Low | 57.8 | Low | 127 Ų | 127 | 121.1 Ų | 121.1 | 67% | 0.665 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -68.7 | -35.5 | 173 | -73.9 | 145.9 | 0 | 0 | 0 | 112.5 | L83 A89 G90 | L83-L87 HydrophobicContact CD2-CD1 4.45Å; L83-L87 HydrophobicContact CG-CD1 4.04Å; L83-L87 WeakPolarHBondContact O-CD1 3.47Å; L83-L87 PolarHBondContact O-N 3.18Å; L83-L87 VanDerWaalsContact O-N 3.1Å; L87-A89 PolarHBondContact O-N 3.11Å; L87-G90 PolarHBondContact O-N 3.25Å |
| 88 | E | 62 | Low | 57.8 | Low | 128 Ų | 128 | 119.5 Ų | 119.5 | 60% | 0.598 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -64.8 | -24.7 | 177.3 | -175.9 | 170.6 | -164.3 | 0 | 0 | 113.1 | T84 K85 G90 | T84-E88 WeakPolarHBondContact O-CB 3.35Å; T84-E88 PolarHBondContact O-N 3.35Å; T84-E88 VanDerWaalsContact O-N 3.11Å; K85-E88 IonicContact NZ-OE2 3.35Å; K85-E88 PolarHBondContact NZ-OE2 3.47Å; E88-G90 PolarHBondContact O-N 3.34Å |
| 89 | A | 64.2 | Low | 58.4 | Low | 87 Ų | 87 | 117.4 Ų | 117.4 | 72% | 0.719 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -3.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V86 L87 | V86-A89 PolarHBondContact O-N 3.31Å; L87-A89 PolarHBondContact O-N 3.11Å |
| 90 | G | 58.3 | Low | 58.4 | Low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -8.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L87 E88 | L87-G90 PolarHBondContact O-N 3.25Å; E88-G90 PolarHBondContact O-N 3.34Å |
| 91 | D | 60.3 | Low | 58.1 | Low | 154 Ų | 154 | 116.8 Ų | 116.8 | 82% | 0.824 | 68% | 0.676 | S | S | * | * | | | trans | -109.3 | 54.3 | -170.6 | -132.2 | -30.9 | 0 | 0 | 0 | 112.8 | | |
| 92 | A | 61.9 | Low | 58.3 | Low | 94 Ų | 94 | 114.5 Ų | 114.5 | 78% | 0.777 | 68% | 0.679 | S | S | * | * | | | trans | -114.8 | 80.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 93 | Q | 47.8 | Very low | 58.1 | Low | 184 Ų | 184 | 116.8 Ų | 116.8 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | | | trans | -159.8 | 128 | 154.2 | -122.6 | -178.5 | -117.6 | 0 | 0 | 108.1 | | |
| 94 | P | 56.3 | Low | 58.7 | Low | 201 Ų | 201 | 121.5 Ų | 121.5 | 100% | 1.305 | 73% | 0.729 | S | S | * | * | | | cis | -106.1 | 0 | 11.8 | 40.1 | -32.8 | 0 | 0 | 0 | 116.1 | | |