| 1 | M | 54.3 | Low | 63.2 | Low | 230 Ų | 230 | 166.5 Ų | 166.5 | 100% | 1.133 | 84% | 0.84 | S | S | * | * | | | | 0 | 116.1 | 0 | -68.1 | 179.2 | 88.3 | 0 | 0 | 109.1 | K3 | M1-K3 PolarHBondContact O-N 3.06Š|
| 2 | P | 64.4 | Low | 61.9 | Low | 135 Ų | 135 | 159.2 Ų | 159.2 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 121.2 | 172.1 | -11.8 | 28.3 | 0 | 0 | 0 | 109.3 | R4 | P2-R4 PolarHBondContact O-N 3.08Š|
| 3 | K | 72.9 | Confident | 61.8 | Low | 201 Ų | 201 | 159.5 Ų | 159.5 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 121.8 | 179 | -66.1 | -168.8 | -179.6 | -179.7 | 0 | 109.6 | M1 K5 | M1-K3 PolarHBondContact O-N 3.06Å; K3-K5 PolarHBondContact O-N 3.13Å |
| 4 | R | 72.3 | Confident | 60.9 | Low | 242 Ų | 242 | 158.7 Ų | 158.7 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 132.9 | 174.2 | -72.8 | 179.6 | -66.8 | 171.6 | 0.6 | 110.7 | P2 | P2-R4 PolarHBondContact O-N 3.08Š|
| 5 | K | 68.9 | Low | 60.1 | Low | 197 Ų | 197 | 152.3 Ų | 152.3 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | | | trans | -111.4 | 104.1 | 153.9 | -67.1 | -63.8 | -171.3 | 175.6 | 0 | 106.6 | K3 | K3-K5 PolarHBondContact O-N 3.13Š|
| 6 | S | 67 | Low | 59.9 | Low | 95 Ų | 95 | 151.1 Ų | 151.1 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | | | trans | -67 | 138 | 165.2 | 38.6 | 0 | 0 | 0 | 0 | 108.7 | E8 | S6-E8 PolarHBondContact O-N 3.02Š|
| 7 | P | 66.6 | Low | 59.7 | Low | 133 Ų | 133 | 152.4 Ų | 152.4 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -76.6 | 103.3 | 157.5 | 30.4 | -26.9 | 0 | 0 | 0 | 107.3 | | |
| 8 | E | 62.5 | Low | 59.7 | Low | 172 Ų | 172 | 153.3 Ų | 153.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -101.3 | 100.1 | 161.5 | 179.7 | 148.7 | -164.1 | 0 | 0 | 108.4 | S6 | S6-E8 PolarHBondContact O-N 3.02Š|
| 9 | N | 55.8 | Low | 59.3 | Low | 143 Ų | 143 | 150.8 Ų | 150.8 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | trans | 164.9 | 137.2 | 154.2 | -116.5 | -43.5 | 0 | 0 | 0 | 106.8 | | |
| 10 | T | 54.2 | Low | 59.4 | Low | 114 Ų | 114 | 153.5 Ų | 153.5 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | | | cis | -156.7 | 140.5 | 20.5 | 25.9 | 0 | 0 | 0 | 0 | 106.3 | G12 | T10-G12 PolarHBondContact O-N 3.15Š|
| 11 | E | 56.1 | Low | 59.5 | Low | 170 Ų | 170 | 154.9 Ų | 154.9 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | -45.2 | 115.8 | 157.7 | -172.2 | 157.2 | 165.6 | 0 | 0 | 111.5 | K13 | E11-K13 HydrophobicContact CG-CB 4.27Š|
| 12 | G | 48.2 | Very low | 60 | Low | 78 Ų | 78 | 150.4 Ų | 150.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -113.7 | 60.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | T10 D14 | T10-G12 PolarHBondContact O-N 3.15Å; G12-D14 PolarHBondContact O-N 2.79Å |
| 13 | K | 60.2 | Low | 60.1 | Low | 163 Ų | 163 | 147.8 Ų | 147.8 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | | | trans | -68.7 | 110.1 | 162.5 | -170.7 | 173.3 | -172.5 | 174.4 | 0 | 106.7 | E11 | E11-K13 HydrophobicContact CG-CB 4.27Š|
| 14 | D | 48.7 | Very low | 59.7 | Low | 149 Ų | 149 | 143.1 Ų | 143.1 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | 166.3 | 127.9 | 141.8 | -104.8 | -76.9 | 0 | 0 | 0 | 111.6 | G12 | G12-D14 PolarHBondContact O-N 2.79Š|
| 15 | G | 49.6 | Very low | 59.4 | Low | 63 Ų | 63 | 140.7 Ų | 140.7 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | | | trans | 170 | 30.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K17 | G15-K17 VanDerWaalsContact C-N 3.27Å; G15-K17 PolarHBondContact O-N 3.35Å |
| 16 | T | 56.8 | Low | 59.2 | Low | 132 Ų | 132 | 141.1 Ų | 141.1 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | trans | -50.3 | 88.4 | 161 | 0.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 17 | K | 56.8 | Low | 59.2 | Low | 173 Ų | 173 | 139.3 Ų | 139.3 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | trans | -130.1 | 67.8 | 167.8 | -66.4 | -165.6 | -177.4 | -177.5 | 0 | 110.1 | G15 T19 | G15-K17 VanDerWaalsContact C-N 3.27Å; G15-K17 PolarHBondContact O-N 3.35Å; K17-T19 HydrophobicContact CB-CG2 4.3Å; K17-T19 PolarHBondContact O-N 3.36Å |
| 18 | L | 59.1 | Low | 59 | Low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 72% | 0.717 | S | S | * | * | | | trans | -68.2 | 60.5 | 148 | -70.9 | 169.3 | 0 | 0 | 0 | 108.8 | K20 | L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 3.03Å |
| 19 | T | 52.2 | Low | 59.2 | Low | 106 Ų | 106 | 136.8 Ų | 136.8 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | | | trans | -77.8 | 90.8 | 170.2 | 45.3 | 0 | 0 | 0 | 0 | 107.2 | K17 Q21 | K17-T19 HydrophobicContact CB-CG2 4.3Å; K17-T19 PolarHBondContact O-N 3.36Å; T19-Q21 PolarHBondContact O-N 3.29Å |
| 20 | K | 62.1 | Low | 59.6 | Low | 203 Ų | 203 | 137 Ų | 137 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | | | trans | 38.6 | 38.8 | 132.7 | -63.3 | -83.8 | -174.8 | 171.4 | 0 | 115.7 | L18 E22 | L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 3.03Å; K20-E22 PolarHBondContact O-N 3.1Å |
| 21 | Q | 60.1 | Low | 60.2 | Low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | | | trans | -79.6 | 78.1 | 167.4 | -168.1 | -177.9 | 56.3 | 0 | 0 | 105.4 | T19 P23 | T19-Q21 PolarHBondContact O-N 3.29Å; Q21-P23 VanDerWaalsContact O-CD 3.29Å; Q21-P23 WeakPolarHBondContact O-CD 3.5Å |
| 22 | E | 65.4 | Low | 60.8 | Low | 136 Ų | 136 | 131.2 Ų | 131.2 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | | | trans | -52.1 | 126.8 | 167 | -169.1 | 174.1 | -161.9 | 0 | 0 | 107.2 | K20 T24 | K20-E22 PolarHBondContact O-N 3.1Å; E22-T24 PolarHBondContact O-N 2.65Å; E22-T24 PolarHBondContact O-OG1 2.85Å |
| 23 | P | 65.7 | Low | 61.8 | Low | 80 Ų | 80 | 136.7 Ų | 136.7 | 52% | 0.519 | 70% | 0.702 | S | S | . | * | | | trans | -69 | 66.2 | 166.3 | -19.4 | 33.5 | 0 | 0 | 0 | 109 | Q21 R25 R26 S27 | Q21-P23 VanDerWaalsContact O-CD 3.29Å; Q21-P23 WeakPolarHBondContact O-CD 3.5Å; P23-R25 PolarHBondContact O-N 2.96Å; P23-R26 PolarHBondContact O-N 3Å; P23-S27 PolarHBondContact O-N 2.8Å; P23-S27 PolarHBondContact O-OG 3.2Å |
| 24 | T | 65.7 | Low | 62.5 | Low | 103 Ų | 103 | 134.5 Ų | 134.5 | 63% | 0.632 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | -24.5 | -163 | -50.5 | 0 | 0 | 0 | 0 | 113.8 | E22 | E22-T24 PolarHBondContact O-N 2.65Å; E22-T24 PolarHBondContact O-OG1 2.85Å |
| 25 | R | 66 | Low | 63.5 | Low | 191 Ų | 191 | 133.4 Ų | 133.4 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -18.1 | 179.7 | -89.3 | -174.8 | 158 | -145.1 | -2.5 | 116.5 | P23 R29 | P23-R25 PolarHBondContact O-N 2.96Å; R25-R29 WeakPolarHBondContact O-CD 3.29Å |
| 26 | R | 64.6 | Low | 64.4 | Low | 205 Ų | 205 | 135.2 Ų | 135.2 | 77% | 0.774 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -38.6 | -169.2 | -66.7 | -170.3 | -175.9 | 113.3 | -2 | 113.2 | P23 L30 | P23-R26 PolarHBondContact O-N 3Å; R26-L30 WeakPolarHBondContact O-CG 3.33Å; R26-L30 PolarHBondContact O-N 3.37Å |
| 27 | S | 66.8 | Low | 65.2 | Low | 57 Ų | 57 | 134.7 Ų | 134.7 | 40% | 0.399 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -70.9 | -40.8 | -179.9 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | P23 R29 L30 S31 | P23-S27 PolarHBondContact O-N 2.8Å; P23-S27 PolarHBondContact O-OG 3.2Å; S27-R29 PolarHBondContact O-N 2.98Å; S27-L30 PolarHBondContact O-N 3.03Å; S27-S31 PolarHBondContact O-N 3.46Å; S27-S31 PolarHBondContact O-OG 3.24Å |
| 28 | A | 63.3 | Low | 65.7 | Low | 63 Ų | 63 | 135.1 Ų | 135.1 | 52% | 0.521 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -60.9 | -30.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | S31 | A28-S31 PolarHBondContact O-OG 3.15Å |
| 29 | R | 65.4 | Low | 66.3 | Low | 189 Ų | 189 | 133.2 Ų | 133.2 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -77.6 | -23.3 | 176.3 | -69 | -177.8 | 177.6 | -165.2 | -3 | 113.2 | R25 S27 | R25-R29 WeakPolarHBondContact O-CD 3.29Å; S27-R29 PolarHBondContact O-N 2.98Å |
| 30 | L | 63.8 | Low | 66.9 | Low | 149 Ų | 149 | 136.8 Ų | 136.8 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -94.4 | -22.1 | -177.4 | -66.8 | 171.4 | 0 | 0 | 0 | 112.8 | R26 S27 | R26-L30 WeakPolarHBondContact O-CG 3.33Å; R26-L30 PolarHBondContact O-N 3.37Å; S27-L30 PolarHBondContact O-N 3.03Å |
| 31 | S | 67.4 | Low | 67 | Low | 95 Ų | 95 | 132.2 Ų | 132.2 | 66% | 0.664 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -82.4 | -15 | 175.7 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | S27 A28 K33 | S27-S31 PolarHBondContact O-N 3.46Å; S27-S31 PolarHBondContact O-OG 3.24Å; A28-S31 PolarHBondContact O-OG 3.15Å; S31-K33 PolarHBondContact O-N 2.73Å; S31-K33 VanDerWaalsContact O-N 3.1Å |
| 32 | A | 68.3 | Low | 67.2 | Low | 67 Ų | 67 | 132.7 Ų | 132.7 | 55% | 0.554 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -72.2 | 103 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 33 | K | 70.6 | Confident | 67.4 | Low | 193 Ų | 193 | 132.3 Ų | 132.3 | 84% | 0.839 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 124.8 | 166.6 | -72.8 | 171.3 | 179.4 | 170.1 | 0 | 107.2 | S31 V35 | S31-K33 PolarHBondContact O-N 2.73Å; S31-K33 VanDerWaalsContact O-N 3.1Å; K33-V35 PolarHBondContact O-N 2.8Å |
| 34 | P | 73.4 | Confident | 67.1 | Low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 134.1 | 175.9 | 22.2 | -31.1 | 0 | 0 | 0 | 108.4 | P36 | P34-P36 WeakPolarHBondContact O-CD 3.47Å; P34-P36 VanDerWaalsContact O-N 3.13Å |
| 35 | V | 69.6 | Low | 66.8 | Low | 126 Ų | 126 | 145 Ų | 145 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 122.4 | 177.5 | 174.4 | 0 | 0 | 0 | 0 | 107 | K33 | K33-V35 PolarHBondContact O-N 2.8Š|
| 36 | P | 70 | Confident | 66.3 | Low | 101 Ų | 101 | 142.1 Ų | 142.1 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 130.7 | 176.6 | 22.6 | -31 | 0 | 0 | 0 | 107.4 | P34 K38 | P34-P36 WeakPolarHBondContact O-CD 3.47Å; P34-P36 VanDerWaalsContact O-N 3.13Å; P36-K38 PolarHBondContact O-N 3.36Å; P36-K38 VanDerWaalsContact O-N 3.15Å |
| 37 | P | 72.6 | Confident | 65.9 | Low | 121 Ų | 121 | 137.6 Ų | 137.6 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 129.2 | 176.8 | 22.3 | -31.8 | 0 | 0 | 0 | 107.4 | | |
| 38 | K | 68.6 | Low | 65.3 | Low | 181 Ų | 181 | 139.3 Ų | 139.3 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -52 | 135.5 | -179.2 | -70 | -174.4 | 179.6 | 107.1 | 0 | 107.8 | P36 E40 | P36-K38 PolarHBondContact O-N 3.36Å; P36-K38 VanDerWaalsContact O-N 3.15Å; K38-E40 VanDerWaalsContact C-N 3.29Å; K38-E40 PolarHBondContact O-N 3.2Å |
| 39 | P | 69.9 | Low | 65 | Low | 130 Ų | 130 | 146 Ų | 146 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | | | trans | -64.7 | 95.6 | 173.6 | 25.9 | -31.9 | 0 | 0 | 0 | 108 | S41 | P39-S41 PolarHBondContact O-N 2.72Š|
| 40 | E | 65.7 | Low | 64.5 | Low | 181 Ų | 181 | 147 Ų | 147 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -70.2 | 106.1 | 173.2 | -79.1 | -171.7 | 159.5 | 0 | 0 | 108.7 | K38 | K38-E40 VanDerWaalsContact C-N 3.29Å; K38-E40 PolarHBondContact O-N 3.2Å |
| 41 | S | 63.7 | Low | 64.1 | Low | 108 Ų | 108 | 148.3 Ų | 148.3 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | 24.1 | 110.2 | 152 | 59.5 | 0 | 0 | 0 | 0 | 117.7 | P39 | P39-S41 PolarHBondContact O-N 2.72Š|
| 42 | K | 65.8 | Low | 63.4 | Low | 193 Ų | 193 | 149 Ų | 149 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -6.7 | 136.1 | 156.5 | -62.5 | 176.1 | 179.9 | 176.1 | 0 | 116.3 | R44 | K42-R44 PolarHBondContact O-N 3.39Å; K42-R44 VanDerWaalsContact O-N 3.08Å |
| 43 | P | 67.6 | Low | 62.3 | Low | 129 Ų | 129 | 149.1 Ų | 149.1 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -60.2 | 115.2 | 175.7 | 25.6 | -33.2 | 0 | 0 | 0 | 110.7 | K45 | P43-K45 PolarHBondContact O-N 3.14Å; P43-K45 VanDerWaalsContact O-N 3.13Å |
| 44 | R | 59.3 | Low | 61.3 | Low | 237 Ų | 237 | 145.7 Ų | 145.7 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | | | trans | -68.2 | 109 | 163.8 | -88.3 | -173 | 177.8 | -148.9 | 0.7 | 107.5 | K42 T46 | K42-R44 PolarHBondContact O-N 3.39Å; K42-R44 VanDerWaalsContact O-N 3.08Å; R44-T46 PolarHBondContact O-N 2.72Å |
| 45 | K | 60 | Low | 60.6 | Low | 211 Ų | 211 | 149.2 Ų | 149.2 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | | | trans | -53.5 | 105.5 | 162.5 | -70.2 | 175.9 | 174.8 | 177.1 | 0 | 108.5 | P43 | P43-K45 PolarHBondContact O-N 3.14Å; P43-K45 VanDerWaalsContact O-N 3.13Å |
| 46 | T | 55.6 | Low | 60 | Low | 131 Ų | 131 | 151.9 Ų | 151.9 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -100.8 | 106.3 | 153.1 | 50.8 | 0 | 0 | 0 | 0 | 107.2 | R44 | R44-T46 PolarHBondContact O-N 2.72Š|
| 47 | S | 56.7 | Low | 59.6 | Low | 111 Ų | 111 | 152 Ų | 152 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | -51.1 | 157.8 | 167.8 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 48 | A | 53.3 | Low | 58.7 | Low | 92 Ų | 92 | 158.7 Ų | 158.7 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | | | trans | 91.7 | 95.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 49 | K | 57.6 | Low | 57.8 | Low | 203 Ų | 203 | 153.6 Ų | 153.6 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | | 47.5 | 101.7 | 111 | -165 | 177.4 | -172.6 | 175.3 | 0 | 116.9 | | |
| 50 | K | 55.1 | Low | 57 | Low | 210 Ų | 210 | 152.3 Ų | 152.3 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | | | | -168.6 | 121.4 | 122.4 | -109.8 | -173.1 | -179.8 | -177.7 | 0 | 111.9 | | |
| 51 | E | 54.8 | Low | 56.2 | Low | 178 Ų | 178 | 154.1 Ų | 154.1 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | | | trans | -88.3 | 176.1 | 170.2 | -107.1 | -96.8 | 144.4 | 0 | 0 | 109 | | |
| 52 | P | 53.8 | Low | 55.6 | Low | 109 Ų | 109 | 153 Ų | 153 | 71% | 0.708 | 84% | 0.835 | S | S | * | * | | | | -102.5 | 151.9 | -114.8 | 33 | -15.1 | 0 | 0 | 0 | 113.8 | | |
| 53 | G | 44.7 | Very low | 54.8 | Low | 70 Ų | 70 | 153 Ų | 153 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | | | trans | -110.4 | 105.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 54 | T | 49.9 | Very low | 53.6 | Low | 121 Ų | 121 | 155.8 Ų | 155.8 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | | | trans | 81.9 | 100.2 | 131.3 | -35 | 0 | 0 | 0 | 0 | 119.7 | | |
| 55 | K | 58.2 | Low | 53 | Low | 191 Ų | 191 | 152 Ų | 152 | 83% | 0.83 | 83% | 0.827 | S | S | * | * | | | | 39.3 | 116 | 126.3 | -51.5 | 173.6 | -178.1 | 174.9 | 0 | 118.4 | | |
| 56 | I | 57.5 | Low | 52 | Low | 181 Ų | 181 | 150.4 Ų | 150.4 | 93% | 0.928 | 82% | 0.822 | S | S | * | * | | | trans | -146.2 | 119.2 | 132 | 46.9 | 170.1 | 0 | 0 | 0 | 111 | | |
| 57 | S | 60.8 | Low | 51.7 | Low | 104 Ų | 104 | 152.9 Ų | 152.9 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | -119.5 | 121.8 | 170.2 | 56.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 58 | R | 54.7 | Low | 51 | Low | 262 Ų | 262 | 157.1 Ų | 157.1 | 99% | 0.989 | 83% | 0.829 | S | S | * | * | | | trans | 179.8 | 134.5 | 155.2 | -111.3 | 174.8 | -84.8 | 157.3 | -9.2 | 111.9 | | |
| 59 | G | 48.9 | Very low | 50.4 | Low | 73 Ų | 73 | 161.3 Ų | 161.3 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | | | trans | 149.9 | 66.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 60 | A | 53.5 | Low | 49.7 | Very low | 104 Ų | 104 | 156.4 Ų | 156.4 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | | | | 66.6 | 115 | 81.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 61 | K | 49.1 | Very low | 49.1 | Very low | 218 Ų | 218 | 149.8 Ų | 149.8 | 95% | 0.948 | 82% | 0.822 | S | S | * | * | | | trans | -34.6 | 141.6 | 177.4 | -69.5 | -179 | 173.1 | 178.5 | 0 | 117 | | |
| 62 | G | 51.5 | Low | 48.9 | Very low | 85 Ų | 85 | 150.4 Ų | 150.4 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | | | trans | -139.9 | 98.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 63 | K | 47.6 | Very low | 48.3 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | | | trans | -86.6 | 140.9 | 166.2 | -131.3 | -159 | -176.2 | -157 | 0 | 107 | | |
| 64 | K | 43.7 | Very low | 48.7 | Very low | 189 Ų | 189 | 154.3 Ų | 154.3 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | | | | 171.4 | 134.4 | 123.6 | -164.2 | 172.4 | 175.7 | -169.6 | 0 | 111.2 | | |
| 65 | E | 47 | Very low | 49 | Very low | 157 Ų | 157 | 154.5 Ų | 154.5 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | | | trans | -68 | 163.4 | 174 | -61.6 | 137.9 | -154.9 | 0 | 0 | 111.7 | | |
| 66 | E | 37.6 | Very low | 48.7 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | | | | 161.1 | 130 | 122.9 | -166.4 | 165.2 | 156.8 | 0 | 0 | 112.2 | | |
| 67 | K | 49.1 | Very low | 48.7 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 80% | 0.796 | 83% | 0.826 | S | S | * | * | | | trans | -63 | 141.5 | 176 | -72.5 | 177.4 | 162.4 | -168.2 | 0 | 111.7 | | |
| 68 | Q | 43.2 | Very low | 48.6 | Very low | 200 Ų | 200 | 146.7 Ų | 146.7 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | | | trans | -133.6 | 123.1 | 137.2 | -75.9 | -165.5 | -60.8 | 0 | 0 | 110 | | |
| 69 | E | 40.2 | Very low | 48.7 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | trans | -95.2 | 125.4 | 171.1 | 172.1 | -165.9 | 146 | 0 | 0 | 107.3 | | |
| 70 | A | 42.6 | Very low | 49.3 | Very low | 100 Ų | 100 | 142.4 Ų | 142.4 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | | | trans | 166.4 | 128.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 71 | G | 43.7 | Very low | 49.2 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | 108.1 | 94.8 | 149.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 72 | E | 48.6 | Very low | 49.5 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | 83.3 | 130.6 | 140 | -60 | -145.2 | 134.6 | 0 | 0 | 121.8 | | |
| 73 | E | 43 | Very low | 50.2 | Low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | 59 | 102.1 | 159 | -66.8 | -152.8 | 135.7 | 0 | 0 | 118.9 | T75 | E73-T75 PolarHBondContact O-N 3.27Š|
| 74 | G | 52.4 | Low | 50.6 | Low | 85 Ų | 85 | 138.6 Ų | 138.6 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | trans | -58.5 | 94.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 75 | T | 55.2 | Low | 51.5 | Low | 126 Ų | 126 | 136.4 Ų | 136.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -131.9 | 82.8 | 148.6 | -62.8 | 0 | 0 | 0 | 0 | 107.6 | E73 P77 | E73-T75 PolarHBondContact O-N 3.27Å; T75-P77 WeakPolarHBondContact O-CD 3.23Å |
| 76 | A | 52.8 | Low | 52.1 | Low | 90 Ų | 90 | 135.3 Ų | 135.3 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | trans | -95.5 | 110.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | S78 | A76-S78 PolarHBondContact O-N 2.75Š|
| 77 | P | 56.6 | Low | 53.1 | Low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -70.6 | 90.4 | 146.6 | 30.1 | -27.8 | 0 | 0 | 0 | 106.5 | T75 | T75-P77 WeakPolarHBondContact O-CD 3.23Š|
| 78 | S | 59.8 | Low | 53.6 | Low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -61.1 | 135.6 | 170.4 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | A76 | A76-S78 PolarHBondContact O-N 2.75Š|
| 79 | A | 57.4 | Low | 54.2 | Low | 84 Ų | 84 | 128.8 Ų | 128.8 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | | | trans | 66.3 | 65.8 | 162 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 80 | N | 61.5 | Low | 55.1 | Low | 161 Ų | 161 | 123.7 Ų | 123.7 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | | | trans | -106.6 | 76.5 | 136.8 | -72.8 | -57 | 0 | 0 | 0 | 106.9 | D82 | N80-D82 PolarHBondContact O-N 2.82Š|
| 81 | G | 50.7 | Low | 56 | Low | 57 Ų | 57 | 124.9 Ų | 124.9 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | | | trans | -57.3 | 138.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | T83 | G81-T83 VanDerWaalsContact C-N 3.32Å; G81-T83 PolarHBondContact O-N 3.34Å |
| 82 | D | 56.2 | Low | 56.7 | Low | 166 Ų | 166 | 131 Ų | 131 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | | | trans | -42 | 88.1 | 171.9 | -67.7 | -83.8 | 0 | 0 | 0 | 112.5 | N80 K84 | N80-D82 PolarHBondContact O-N 2.82Å; D82-K84 PolarHBondContact O-N 3.27Å; D82-K84 VanDerWaalsContact O-N 3.15Å |
| 83 | T | 64.3 | Low | 57.4 | Low | 130 Ų | 130 | 126.4 Ų | 126.4 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | | | trans | -78.3 | 100.2 | 159.1 | 50 | 0 | 0 | 0 | 0 | 105.6 | G81 V85 | G81-T83 VanDerWaalsContact C-N 3.32Å; G81-T83 PolarHBondContact O-N 3.34Å; T83-V85 PolarHBondContact O-N 2.92Å; T83-V85 VanDerWaalsContact O-N 3.16Å |
| 84 | K | 56.4 | Low | 58.3 | Low | 166 Ų | 166 | 124.5 Ų | 124.5 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | | | trans | -31 | 123.8 | 160.7 | -74.8 | -179 | 174.7 | -176.1 | 0 | 108.5 | D82 E86 | D82-K84 PolarHBondContact O-N 3.27Å; D82-K84 VanDerWaalsContact O-N 3.15Å; K84-E86 WeakPolarHBondContact CD-OE2 3.45Å; K84-E86 PolarHBondContact O-N 2.72Å |
| 85 | V | 62.4 | Low | 59 | Low | 143 Ų | 143 | 125.6 Ų | 125.6 | 87% | 0.867 | 73% | 0.729 | S | S | * | * | | | trans | -69.7 | 70.2 | 160.5 | -179.5 | 0 | 0 | 0 | 0 | 105.9 | T83 E87 | T83-V85 PolarHBondContact O-N 2.92Å; T83-V85 VanDerWaalsContact O-N 3.16Å; V85-E87 PolarHBondContact O-N 3.41Å |
| 86 | E | 59.6 | Low | 59.5 | Low | 135 Ų | 135 | 127.2 Ų | 127.2 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | | | trans | -63 | 102.2 | 149.7 | -127.9 | 81.2 | -155.1 | 0 | 0 | 102.5 | K84 I88 | K84-E86 WeakPolarHBondContact CD-OE2 3.45Å; K84-E86 PolarHBondContact O-N 2.72Å; E86-I88 VanDerWaalsContact C-N 3.28Å; E86-I88 VanDerWaalsContact O-CG1 3.29Å; E86-I88 WeakPolarHBondContact O-CG1 3.29Å; E86-I88 PolarHBondContact O-N 3.04Å |
| 87 | E | 58.5 | Low | 60.1 | Low | 138 Ų | 138 | 129.3 Ų | 129.3 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | | | trans | -42.4 | 96.7 | 172.7 | -175.9 | -179 | -176.4 | 0 | 0 | 108.4 | V85 H89 | V85-E87 PolarHBondContact O-N 3.41Å; E87-H89 VanDerWaalsContact CG-CE1 3.45Å; E87-H89 WeakPolarHBondContact CG-CE1 3.38Å; E87-H89 PolarHBondContact O-N 2.75Å; E87-H89 PolarHBondContact O-ND1 3.16Å; E87-H89 IonicContact OE1-CE1 3.56Å; E87-H89 IonicContact OE1-NE2 3.34Å; E87-H89 PolarHBondContact OE1-NE2 3.5Å; E87-H89 IonicContact OE2-CE1 3.27Å; E87-H89 PolarHBondContact OE2-CE1 3.15Å; E87-H89 VanDerWaalsContact OE2-CE1 3.27Å; E87-H89 IonicContact OE2-NE2 3.73Å |
| 88 | I | 60.4 | Low | 60.7 | Low | 144 Ų | 144 | 128.8 Ų | 128.8 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | | | trans | -72.4 | 94.7 | 178.9 | -46.9 | -178.6 | 0 | 0 | 0 | 104.2 | E86 V90 | E86-I88 VanDerWaalsContact C-N 3.28Å; E86-I88 VanDerWaalsContact O-CG1 3.29Å; E86-I88 WeakPolarHBondContact O-CG1 3.29Å; E86-I88 PolarHBondContact O-N 3.04Å; I88-V90 HydrophobicContact CB-CG2 4.09Å; I88-V90 HydrophobicContact CG2-CG2 3.51Å; I88-V90 PolarHBondContact O-N 3.1Å |
| 89 | H | 55.4 | Low | 61.3 | Low | 141 Ų | 141 | 128.4 Ų | 128.4 | 65% | 0.653 | 74% | 0.739 | S | S | * | * | | | trans | -68.7 | 75 | 170.1 | -68.6 | 83 | 0 | 0 | 0 | 107.8 | E87 S91 | E87-H89 VanDerWaalsContact CG-CE1 3.45Å; E87-H89 WeakPolarHBondContact CG-CE1 3.38Å; E87-H89 PolarHBondContact O-N 2.75Å; E87-H89 PolarHBondContact O-ND1 3.16Å; E87-H89 IonicContact OE1-CE1 3.56Å; E87-H89 IonicContact OE1-NE2 3.34Å; E87-H89 PolarHBondContact OE1-NE2 3.5Å; E87-H89 IonicContact OE2-CE1 3.27Å; E87-H89 PolarHBondContact OE2-CE1 3.15Å; E87-H89 VanDerWaalsContact OE2-CE1 3.27Å; E87-H89 IonicContact OE2-NE2 3.73Å; H89-S91 PolarHBondContact O-N 3.25Å; H89-S91 VanDerWaalsContact O-N 3.14Å |
| 90 | V | 60 | Low | 61.6 | Low | 74 Ų | 74 | 129.8 Ų | 129.8 | 45% | 0.448 | 74% | 0.742 | S | S | . | * | | | trans | -80.7 | 97.2 | 169.3 | -136.1 | 0 | 0 | 0 | 0 | 106.8 | I88 R92 | I88-V90 HydrophobicContact CB-CG2 4.09Å; I88-V90 HydrophobicContact CG2-CG2 3.51Å; I88-V90 PolarHBondContact O-N 3.1Å; V90-R92 HydrophobicContact CB-CG 3.71Å; V90-R92 HydrophobicContact CG1-CG 3.38Å; V90-R92 PolarHBondContact O-N 3.43Å |
| 91 | S | 61 | Low | 61.9 | Low | 124 Ų | 124 | 133.9 Ų | 133.9 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | | | trans | -64.7 | 69.2 | 162.9 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | H89 S93 | H89-S91 PolarHBondContact O-N 3.25Å; H89-S91 VanDerWaalsContact O-N 3.14Å; S91-S93 PolarHBondContact O-N 3.38Å |
| 92 | R | 59.1 | Low | 63 | Low | 199 Ų | 199 | 135.6 Ų | 135.6 | 75% | 0.751 | 75% | 0.748 | S | S | * | * | | | trans | -85.9 | 110.4 | 179.5 | -73.7 | -174.2 | 172.6 | 167.5 | 10 | 108.8 | V90 | V90-R92 HydrophobicContact CB-CG 3.71Å; V90-R92 HydrophobicContact CG1-CG 3.38Å; V90-R92 PolarHBondContact O-N 3.43Å |
| 93 | S | 62.5 | Low | 64 | Low | 95 Ų | 95 | 133 Ų | 133 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | | | trans | -18.2 | 136.6 | 136 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | S91 V95 | S91-S93 PolarHBondContact O-N 3.38Å; S93-V95 VanDerWaalsContact C-N 3.26Å; S93-V95 VanDerWaalsContact O-CG2 3.23Å; S93-V95 WeakPolarHBondContact O-CG2 3.4Å; S93-V95 PolarHBondContact O-N 2.75Å |
| 94 | T | 63.1 | Low | 64.4 | Low | 135 Ų | 135 | 132.1 Ų | 132.1 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -57.6 | 67.8 | -171.4 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 95 | V | 65.3 | Low | 65.2 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | | | trans | -97.8 | 103.5 | 176.9 | -150 | 0 | 0 | 0 | 0 | 109.5 | S93 | S93-V95 VanDerWaalsContact C-N 3.26Å; S93-V95 VanDerWaalsContact O-CG2 3.23Å; S93-V95 WeakPolarHBondContact O-CG2 3.4Å; S93-V95 PolarHBondContact O-N 2.75Å |
| 96 | N | 67.4 | Low | 65.4 | Low | 159 Ų | 159 | 128.9 Ų | 128.9 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | | | trans | -78.7 | 119.9 | 167.6 | -71.7 | -61.7 | 0 | 0 | 0 | 108.7 | | |
| 97 | V | 65.3 | Low | 65.7 | Low | 134 Ų | 134 | 128.3 Ų | 128.3 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | trans | -104.8 | 105 | 172.7 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 98 | S | 69.5 | Low | 66.1 | Low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | -103.4 | 112.1 | 171.1 | 65.2 | 0 | 0 | 0 | 0 | 109.7 | C100 | S98-C100 PolarHBondContact O-N 3.5Š|
| 99 | A | 71.9 | Confident | 66.3 | Low | 101 Ų | 101 | 128.4 Ų | 128.4 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | | | trans | -84.7 | 102.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | R101 | A99-R101 PolarHBondContact O-N 2.99Š|
| 100 | C | 62.4 | Low | 67 | Low | 112 Ų | 112 | 128 Ų | 128 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | -79.1 | 101.6 | 172.2 | -66.7 | 0 | 0 | 0 | 0 | 109.3 | S98 S102 | S98-C100 PolarHBondContact O-N 3.5Å; C100-S102 VanDerWaalsContact C-N 3.26Å; C100-S102 PolarHBondContact O-N 3.45Å; C100-S102 VanDerWaalsContact O-N 3.1Å |
| 101 | R | 69.1 | Low | 67.1 | Low | 247 Ų | 247 | 134.7 Ų | 134.7 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -83 | 74.4 | 168.7 | -159.6 | 171.9 | -172.3 | -111.9 | 3.8 | 108.7 | A99 | A99-R101 PolarHBondContact O-N 2.99Š|
| 102 | S | 73.3 | Confident | 67.5 | Low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 139.4 | 173.2 | 55.6 | 0 | 0 | 0 | 0 | 109.9 | C100 | C100-S102 VanDerWaalsContact C-N 3.26Å; C100-S102 PolarHBondContact O-N 3.45Å; C100-S102 VanDerWaalsContact O-N 3.1Å |
| 103 | P | 76.3 | Confident | 67.5 | Low | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 148.2 | 167.7 | 26.7 | -32.7 | 0 | 0 | 0 | 109.7 | | |
| 104 | P | 74.8 | Confident | 67.4 | Low | 113 Ų | 113 | 134.1 Ų | 134.1 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 139.5 | 177.5 | 26.1 | -33.6 | 0 | 0 | 0 | 109.6 | S106 | P104-S106 PolarHBondContact O-N 3.49Š|
| 105 | P | 71.3 | Confident | 67.2 | Low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -62.9 | 109.6 | 175.7 | 26.5 | -32.7 | 0 | 0 | 0 | 108.6 | | |
| 106 | S | 67.9 | Low | 66.9 | Low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -96.6 | 97.3 | 173.2 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | P104 | P104-S106 PolarHBondContact O-N 3.49Š|
| 107 | T | 65.5 | Low | 66.5 | Low | 124 Ų | 124 | 133.2 Ų | 133.2 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | trans | -141.9 | 100.9 | 163.1 | 58.2 | 0 | 0 | 0 | 0 | 108.7 | S109 | T107-S109 PolarHBondContact O-N 2.96Š|
| 108 | L | 66.6 | Low | 66.1 | Low | 171 Ų | 171 | 135.1 Ų | 135.1 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | | | trans | -89.4 | 94.7 | 162.5 | -64.1 | 175.7 | 0 | 0 | 0 | 107.2 | V110 | L108-V110 PolarHBondContact O-N 3.03Š|
| 109 | S | 65.9 | Low | 65.3 | Low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -85.4 | 103.9 | 171.5 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | T107 | T107-S109 PolarHBondContact O-N 2.96Š|
| 110 | V | 68.9 | Low | 64.4 | Low | 132 Ų | 132 | 141.2 Ų | 141.2 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | trans | -94.7 | 104.5 | 168.1 | -179 | 0 | 0 | 0 | 0 | 107.5 | L108 G112 | L108-V110 PolarHBondContact O-N 3.03Å; V110-G112 PolarHBondContact O-N 3.2Å |
| 111 | K | 61.6 | Low | 64 | Low | 214 Ų | 214 | 143.2 Ų | 143.2 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | | | trans | -77.5 | 77.6 | 171.9 | -169.3 | 172.4 | 179.3 | -177.4 | 0 | 108.9 | | |
| 112 | G | 69.7 | Low | 63.3 | Low | 51 Ų | 51 | 136.9 Ų | 136.9 | 53% | 0.526 | 78% | 0.775 | S | S | . | * | | | trans | -114.8 | 138.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | V110 I114 | V110-G112 PolarHBondContact O-N 3.2Å; G112-I114 PolarHBondContact O-N 3.24Å |
| 113 | Q | 59.2 | Low | 62.4 | Low | 200 Ų | 200 | 139.5 Ų | 139.5 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | | | trans | -61.5 | 116.4 | 171.6 | -69.1 | 171.4 | 17.6 | 0 | 0 | 108.1 | E115 | Q113-E115 PolarHBondContact O-N 3.23Š|
| 114 | I | 60.8 | Low | 61.4 | Low | 155 Ų | 155 | 142.4 Ų | 142.4 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | | | trans | -74.4 | 106.4 | 164.7 | 50.7 | 160 | 0 | 0 | 0 | 107.2 | G112 T116 | G112-I114 PolarHBondContact O-N 3.24Å; I114-T116 PolarHBondContact O-N 2.86Å |
| 115 | E | 58.6 | Low | 60 | Low | 182 Ų | 182 | 147.1 Ų | 147.1 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | -75.8 | 104.5 | 167 | -163 | 176.8 | 175 | 0 | 0 | 107 | Q113 A117 | Q113-E115 PolarHBondContact O-N 3.23Å; E115-A117 VanDerWaalsContact C-N 3.28Å; E115-A117 PolarHBondContact O-N 2.96Å |
| 116 | T | 58.8 | Low | 58.9 | Low | 116 Ų | 116 | 150.1 Ų | 150.1 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | | | trans | -69.9 | 91.7 | 166.2 | 35.7 | 0 | 0 | 0 | 0 | 107.9 | I114 Q118 | I114-T116 PolarHBondContact O-N 2.86Å; T116-Q118 PolarHBondContact O-N 3.05Å |
| 117 | A | 59.7 | Low | 58.1 | Low | 86 Ų | 86 | 148.3 Ų | 148.3 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | -63.9 | 104.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108 | E115 R119 | E115-A117 VanDerWaalsContact C-N 3.28Å; E115-A117 PolarHBondContact O-N 2.96Å; A117-R119 VanDerWaalsContact C-N 3.25Å; A117-R119 PolarHBondContact O-N 2.91Å |
| 118 | Q | 57.4 | Low | 56.9 | Low | 174 Ų | 174 | 155.5 Ų | 155.5 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | | | trans | -70.9 | 93 | 164.2 | -62.6 | -148 | 3.5 | 0 | 0 | 106.9 | T116 T120 | T116-Q118 PolarHBondContact O-N 3.05Å; Q118-T120 PolarHBondContact O-N 3.01Å |
| 119 | R | 51.8 | Low | 56.4 | Low | 218 Ų | 218 | 154.7 Ų | 154.7 | 82% | 0.823 | 82% | 0.816 | S | S | * | * | | | trans | -67.2 | 91.9 | 167.2 | -171.6 | 179.2 | -168.7 | 149.6 | 1.6 | 106.5 | A117 E121 | A117-R119 VanDerWaalsContact C-N 3.25Å; A117-R119 PolarHBondContact O-N 2.91Å; R119-E121 VanDerWaalsContact C-N 3.31Å; R119-E121 HydrophobicContact CG-CG 4.41Å; R119-E121 PolarHBondContact O-N 2.95Å |
| 120 | T | 53.1 | Low | 55.9 | Low | 113 Ų | 113 | 156.9 Ų | 156.9 | 69% | 0.693 | 82% | 0.817 | S | S | * | * | | | trans | -68.3 | 98.9 | 163.6 | 51.4 | 0 | 0 | 0 | 0 | 106.5 | Q118 S122 | Q118-T120 PolarHBondContact O-N 3.01Å; T120-S122 VanDerWaalsContact C-N 3.33Å; T120-S122 PolarHBondContact O-N 3.03Å |
| 121 | E | 53.6 | Low | 55.2 | Low | 155 Ų | 155 | 158.3 Ų | 158.3 | 72% | 0.724 | 82% | 0.818 | S | S | * | * | | | trans | -64.7 | 98.4 | 164.9 | -47.7 | -179.5 | -153.7 | 0 | 0 | 106 | R119 I123 | R119-E121 VanDerWaalsContact C-N 3.31Å; R119-E121 HydrophobicContact CG-CG 4.41Å; R119-E121 PolarHBondContact O-N 2.95Å; E121-I123 VanDerWaalsContact C-N 3.25Å; E121-I123 PolarHBondContact O-N 3.28Å |
| 122 | S | 54.4 | Low | 54.8 | Low | 114 Ų | 114 | 155 Ų | 155 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | | | trans | -70.5 | 90.2 | 172.9 | -53.8 | 0 | 0 | 0 | 0 | 108 | T120 E124 | T120-S122 VanDerWaalsContact C-N 3.33Å; T120-S122 PolarHBondContact O-N 3.03Å; S122-E124 PolarHBondContact O-N 2.9Å |
| 123 | I | 55.6 | Low | 53.9 | Low | 149 Ų | 149 | 161.5 Ų | 161.5 | 76% | 0.764 | 83% | 0.83 | S | S | * | * | | | trans | -61.2 | 116 | 159.8 | -65.7 | 167.8 | 0 | 0 | 0 | 106.7 | E121 | E121-I123 VanDerWaalsContact C-N 3.25Å; E121-I123 PolarHBondContact O-N 3.28Å |
| 124 | E | 53.5 | Low | 53.5 | Low | 171 Ų | 171 | 158.9 Ų | 158.9 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | | | trans | 20.5 | 120.6 | 150.5 | -54 | 177.7 | -170.4 | 0 | 0 | 117.9 | S122 | S122-E124 PolarHBondContact O-N 2.9Š|
| 125 | K | 46.6 | Very low | 53 | Low | 211 Ų | 211 | 159.2 Ų | 159.2 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | | | trans | -153.8 | 103.9 | 136.1 | -82.8 | -144.4 | 175.2 | -177.9 | 0 | 111.9 | | |
| 126 | E | 47.3 | Very low | 52.6 | Low | 192 Ų | 192 | 157.5 Ų | 157.5 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | | | trans | 7.3 | 128.7 | 132.1 | -69.5 | -86.1 | 143.1 | 0 | 0 | 118.2 | | |
| 127 | G | 50.6 | Low | 52.1 | Low | 74 Ų | 74 | 160.9 Ų | 160.9 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | | | trans | 93.3 | 108.1 | 135.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 128 | E | 41.4 | Very low | 51.4 | Low | 274 Ų | 274 | 167.7 Ų | 167.7 | 100% | 1.28 | 84% | 0.843 | S | S | * | * | | | | -164.1 | 0 | 107.3 | -163.8 | 172.7 | 152.6 | 0 | 0 | 110.5 | | |