| 1 | M | 55.3 | Low | 56.3 | Low | 234 Ų | 234 | 152.2 Ų | 152.2 | 100% | 1.153 | 84% | 0.837 | S | S | * | * | | | | 0 | 87.3 | 0 | -88.5 | -79.5 | 105.7 | 0 | 0 | 106.8 | G3 | M1-G3 PolarHBondContact O-N 3.4Š|
| 2 | D | 62.9 | Low | 57.2 | Low | 170 Ų | 170 | 156.6 Ų | 156.6 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 117.9 | -177.1 | -60 | -80.2 | 0 | 0 | 0 | 110.4 | | |
| 3 | G | 62.6 | Low | 58.4 | Low | 61 Ų | 61 | 160.3 Ų | 160.3 | 63% | 0.629 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -92 | 154.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 T5 | M1-G3 PolarHBondContact O-N 3.4Å; G3-T5 PolarHBondContact O-N 3.47Å |
| 4 | P | 61.6 | Low | 59.7 | Low | 117 Ų | 117 | 164.7 Ų | 164.7 | 76% | 0.76 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -70 | 120.4 | -150.8 | -18.6 | 31.6 | 0 | 0 | 0 | 115.2 | R6 | P4-R6 VanDerWaalsContact C-N 3.32Å; P4-R6 HydrophobicContact CB-CB 4.47Å; P4-R6 HydrophobicContact CB-CG 4.15Å; P4-R6 PolarHBondContact O-N 3.27Å |
| 5 | T | 51.8 | Low | 61.1 | Low | 147 Ų | 147 | 163.5 Ų | 163.5 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | | | trans | -69.3 | 84.7 | 156.8 | 49.5 | 0 | 0 | 0 | 0 | 109.1 | G3 | G3-T5 PolarHBondContact O-N 3.47Š|
| 6 | R | 60.1 | Low | 62.4 | Low | 230 Ų | 230 | 156.9 Ų | 156.9 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | -140.6 | 116 | 177.9 | -70.8 | -167.9 | 175.8 | -170.7 | -0.5 | 112.8 | P4 | P4-R6 VanDerWaalsContact C-N 3.32Å; P4-R6 HydrophobicContact CB-CB 4.47Å; P4-R6 HydrophobicContact CB-CG 4.15Å; P4-R6 PolarHBondContact O-N 3.27Å |
| 7 | G | 51 | Low | 63.6 | Low | 71 Ų | 71 | 159.2 Ų | 159.2 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | 106.8 | 93.5 | 143.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G9 | G7-G9 PolarHBondContact O-N 2.72Š|
| 8 | H | 48.2 | Very low | 64.7 | Low | 184 Ų | 184 | 154.7 Ų | 154.7 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | | | trans | -36 | 97.6 | 155.3 | -157.6 | -84.5 | 0 | 0 | 0 | 109.7 | L10 | H8-L10 VanDerWaalsContact C-N 3.28Å; H8-L10 PolarHBondContact O-N 3.42Å |
| 9 | G | 50.3 | Low | 65.7 | Low | 68 Ų | 68 | 151.9 Ų | 151.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -72.2 | 85.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 110 | G7 R11 | G7-G9 PolarHBondContact O-N 2.72Å; G9-R11 PolarHBondContact O-N 3.38Å |
| 10 | L | 59.9 | Low | 66.8 | Low | 155 Ų | 155 | 150.2 Ų | 150.2 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | | | trans | -42.9 | 106.2 | 168 | -62.6 | 173.3 | 0 | 0 | 0 | 107.2 | H8 K12 | H8-L10 VanDerWaalsContact C-N 3.28Å; H8-L10 PolarHBondContact O-N 3.42Å; L10-K12 PolarHBondContact O-N 2.78Å |
| 11 | R | 55.5 | Low | 67.7 | Low | 237 Ų | 237 | 146.5 Ų | 146.5 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | | | trans | -44.6 | 114.7 | 178.5 | -79.1 | 168.8 | 67.1 | 169.9 | 0.8 | 106.6 | G9 K13 | G9-R11 PolarHBondContact O-N 3.38Å; R11-K13 PolarHBondContact O-N 3.21Å |
| 12 | K | 67.4 | Low | 69.1 | Low | 205 Ų | 205 | 144.7 Ų | 144.7 | 89% | 0.891 | 71% | 0.713 | S | S | * | * | | | trans | -47.4 | 104.8 | -179 | -79 | 176.5 | 176.6 | 172.4 | 0 | 107.9 | L10 R14 | L10-K12 PolarHBondContact O-N 2.78Å; K12-R14 PolarHBondContact O-N 3.41Å |
| 13 | K | 72.5 | Confident | 70.2 | Confident | 205 Ų | 205 | 140.1 Ų | 140.1 | 89% | 0.891 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 117.7 | -180 | -168.3 | 172.3 | -176.9 | 176.4 | 0 | 105.8 | R11 R15 | R11-K13 PolarHBondContact O-N 3.21Å; K13-R15 PolarHBondContact O-N 3.33Å |
| 14 | R | 76.7 | Confident | 71 | Confident | 222 Ų | 222 | 146 Ų | 146 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 130.9 | 177.7 | -71.2 | 173.4 | 64.9 | 118.9 | -3.2 | 107.6 | K12 S16 | K12-R14 PolarHBondContact O-N 3.41Å; R14-S16 PolarHBondContact O-N 3.43Å |
| 15 | R | 81.4 | Confident | 71.7 | Confident | 147 Ų | 147 | 148.9 Ų | 148.9 | 56% | 0.555 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -50 | 134 | 176.5 | -69.4 | -173 | 178.6 | 149.4 | 4.4 | 109.6 | K13 R20 E23 | K13-R15 PolarHBondContact O-N 3.33Å; R15-R20 HydrophobicContact CB-CG 4.1Å; R15-E23 IonicContact NH1-OE2 2.76Å; R15-E23 PolarHBondContact NH1-OE2 2.9Å |
| 16 | S | 80.7 | Confident | 72.8 | Confident | 57 Ų | 57 | 145.5 Ų | 145.5 | 40% | 0.399 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 157.9 | 179.8 | 83.2 | 0 | 0 | 0 | 0 | 110.2 | R14 S18 Q19 R20 | R14-S16 PolarHBondContact O-N 3.43Å; S16-S18 PolarHBondContact O-N 2.92Å; S16-S18 PolarHBondContact OG-N 3.33Å; S16-S18 PolarHBondContact OG-OG 3.49Å; S16-Q19 PolarHBondContact O-N 3.01Å; S16-Q19 PolarHBondContact OG-N 3.35Å; S16-R20 PolarHBondContact O-N 3.5Å |
| 17 | R | 83.1 | Confident | 73.4 | Confident | 197 Ų | 197 | 143.3 Ų | 143.3 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -57.2 | -39.3 | 173.3 | -76.1 | 179.8 | 175.2 | 176.6 | -1.6 | 111.3 | R20 D21 | R17-R20 PolarHBondContact O-N 3.41Å; R17-D21 PolarHBondContact O-N 2.86Å |
| 18 | S | 84.2 | Confident | 73.9 | Confident | 78 Ų | 78 | 143.4 Ų | 143.4 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -66.8 | -37.4 | 178.8 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | S16 R20 D21 R22 | S16-S18 PolarHBondContact O-N 2.92Å; S16-S18 PolarHBondContact OG-N 3.33Å; S16-S18 PolarHBondContact OG-OG 3.49Å; S18-R20 VanDerWaalsContact C-N 3.35Å; S18-D21 PolarHBondContact O-N 3.09Å; S18-R22 PolarHBondContact O-N 3.44Å |
| 19 | Q | 83.9 | Confident | 74.4 | Confident | 102 Ų | 102 | 137.8 Ų | 137.8 | 48% | 0.477 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.8 | -39.8 | 176.2 | -165.2 | -178 | 20.3 | 0 | 0 | 111.1 | S16 E23 | S16-Q19 PolarHBondContact O-N 3.01Å; S16-Q19 PolarHBondContact OG-N 3.35Å; Q19-E23 PolarHBondContact O-N 3.1Å; Q19-E23 VanDerWaalsContact O-N 3.11Å |
| 20 | R | 87.4 | Confident | 74.7 | Confident | 117 Ų | 117 | 141.8 Ų | 141.8 | 44% | 0.442 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -66.8 | -36.4 | 174.7 | -71.6 | -172.1 | -73.3 | 149.2 | -1 | 112.3 | R15 S16 R17 S18 R24 | R15-R20 HydrophobicContact CB-CG 4.1Å; S16-R20 PolarHBondContact O-N 3.5Å; R17-R20 PolarHBondContact O-N 3.41Å; S18-R20 VanDerWaalsContact C-N 3.35Å; R20-R24 WeakPolarHBondContact O-CG 3.46Å; R20-R24 PolarHBondContact O-N 3.17Å |
| 21 | D | 85.6 | Confident | 73.9 | Confident | 73 Ų | 73 | 137 Ų | 137 | 39% | 0.39 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69.5 | -41.3 | 177.2 | -161.2 | 55.4 | 0 | 0 | 0 | 112.1 | R17 S18 E23 R24 R25 | R17-D21 PolarHBondContact O-N 2.86Å; S18-D21 PolarHBondContact O-N 3.09Å; D21-E23 PolarHBondContact O-N 3.06Å; D21-R24 PolarHBondContact O-N 3.4Å; D21-R25 WeakPolarHBondContact O-CG 3.48Å; D21-R25 PolarHBondContact O-N 3.33Å; D21-R25 IonicContact OD2-CZ 2.63Å; D21-R25 IonicContact OD2-NE 2.8Å; D21-R25 PolarHBondContact OD2-NE 3.09Å; D21-R25 IonicContact OD2-NH2 3.92Å; D21-R25 PolarHBondContact OD2-NH2 3.22Å |
| 22 | R | 84.8 | Confident | 73.4 | Confident | 195 Ų | 195 | 133 Ų | 133 | 74% | 0.736 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59 | -45.6 | 171.4 | -86.8 | -172.7 | -174.2 | 136.5 | 1.7 | 112.4 | S18 R24 R25 S26 | S18-R22 PolarHBondContact O-N 3.44Å; R22-R24 VanDerWaalsContact C-N 3.29Å; R22-R24 PolarHBondContact O-N 3.42Å; R22-R25 PolarHBondContact O-N 2.95Å; R22-S26 WeakPolarHBondContact O-CB 3.4Å; R22-S26 PolarHBondContact O-N 3.49Å; R22-S26 PolarHBondContact O-OG 2.63Å |
| 23 | E | 84.4 | Confident | 72.1 | Confident | 75 Ų | 75 | 126.6 Ų | 126.6 | 35% | 0.35 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64 | -34.9 | 178.3 | -172.4 | 172.7 | -172.2 | 0 | 0 | 111.8 | R15 Q19 D21 S26 R27 | R15-E23 IonicContact NH1-OE2 2.76Å; R15-E23 PolarHBondContact NH1-OE2 2.9Å; Q19-E23 PolarHBondContact O-N 3.1Å; Q19-E23 VanDerWaalsContact O-N 3.11Å; D21-E23 PolarHBondContact O-N 3.06Å; E23-S26 WeakPolarHBondContact CA-OG 3.39Å; E23-S26 PolarHBondContact O-OG 3.32Å; E23-R27 WeakPolarHBondContact O-CB 3.3Å; E23-R27 VanDerWaalsContact O-CG 3.29Å; E23-R27 WeakPolarHBondContact O-CG 3.3Å; E23-R27 PolarHBondContact O-N 3.35Å; E23-R27 VanDerWaalsContact O-N 3.15Å |
| 24 | R | 80.3 | Confident | 70.6 | Confident | 185 Ų | 185 | 121.7 Ų | 121.7 | 70% | 0.698 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.3 | -45.8 | 171.9 | -79.6 | -177.4 | 178.3 | -85.2 | -0.4 | 112 | R20 D21 R22 R27 A28 | R20-R24 WeakPolarHBondContact O-CG 3.46Å; R20-R24 PolarHBondContact O-N 3.17Å; D21-R24 PolarHBondContact O-N 3.4Å; R22-R24 VanDerWaalsContact C-N 3.29Å; R22-R24 PolarHBondContact O-N 3.42Å; R24-R27 CarbonylContact O-C 3.46Å; R24-R27 PolarHBondContact O-N 2.95Å; R24-A28 WeakPolarHBondContact O-CB 3.3Å; R24-A28 PolarHBondContact O-N 3.09Å |
| 25 | R | 77.1 | Confident | 68.8 | Low | 176 Ų | 176 | 116 Ų | 116 | 66% | 0.664 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.2 | -40.4 | 178.1 | -70.8 | 177 | -172 | -123.1 | 1.8 | 112.3 | D21 R22 R27 A28 G29 | D21-R25 WeakPolarHBondContact O-CG 3.48Å; D21-R25 PolarHBondContact O-N 3.33Å; D21-R25 IonicContact OD2-CZ 2.63Å; D21-R25 IonicContact OD2-NE 2.8Å; D21-R25 PolarHBondContact OD2-NE 3.09Å; D21-R25 IonicContact OD2-NH2 3.92Å; D21-R25 PolarHBondContact OD2-NH2 3.22Å; R22-R25 PolarHBondContact O-N 2.95Å; R25-R27 PolarHBondContact O-N 2.8Å; R25-A28 PolarHBondContact O-N 2.8Å; R25-G29 PolarHBondContact O-N 2.76Å |
| 26 | S | 75.3 | Confident | 66.9 | Low | 77 Ų | 77 | 112.8 Ų | 112.8 | 54% | 0.538 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66 | -27.1 | 175.4 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | R22 E23 | R22-S26 WeakPolarHBondContact O-CB 3.4Å; R22-S26 PolarHBondContact O-N 3.49Å; R22-S26 PolarHBondContact O-OG 2.63Å; E23-S26 WeakPolarHBondContact CA-OG 3.39Å; E23-S26 PolarHBondContact O-OG 3.32Å |
| 27 | R | 71.2 | Confident | 64.8 | Low | 183 Ų | 183 | 113.4 Ų | 113.4 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -87.7 | -28 | 172.3 | -70.3 | -170.4 | -179.4 | -84.3 | 0.4 | 113.4 | E23 R24 R25 L30 | E23-R27 WeakPolarHBondContact O-CB 3.3Å; E23-R27 VanDerWaalsContact O-CG 3.29Å; E23-R27 WeakPolarHBondContact O-CG 3.3Å; E23-R27 PolarHBondContact O-N 3.35Å; E23-R27 VanDerWaalsContact O-N 3.15Å; R24-R27 CarbonylContact O-C 3.46Å; R24-R27 PolarHBondContact O-N 2.95Å; R25-R27 PolarHBondContact O-N 2.8Å; R27-L30 PolarHBondContact O-N 2.77Å |
| 28 | A | 62.4 | Low | 62.6 | Low | 73 Ų | 73 | 112.7 Ų | 112.7 | 60% | 0.603 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -83.4 | -22.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | R24 R25 L30 | R24-A28 WeakPolarHBondContact O-CB 3.3Å; R24-A28 PolarHBondContact O-N 3.09Å; R25-A28 PolarHBondContact O-N 2.8Å; A28-L30 PolarHBondContact O-N 2.99Å |
| 29 | G | 58.4 | Low | 60.4 | Low | 67 Ų | 67 | 112.7 Ų | 112.7 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 1.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R25 | R25-G29 PolarHBondContact O-N 2.76Š|
| 30 | L | 55.8 | Low | 58.2 | Low | 152 Ų | 152 | 113 Ų | 113 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -125.9 | 53.3 | 176.9 | -62.6 | 171.9 | 0 | 0 | 0 | 108.5 | R27 A28 | R27-L30 PolarHBondContact O-N 2.77Å; A28-L30 PolarHBondContact O-N 2.99Å |
| 31 | G | 43.7 | Very low | 55.7 | Low | 55 Ų | 55 | 110.5 Ų | 110.5 | 57% | 0.567 | 71% | 0.71 | S | S | * | * | | | trans | -166 | 27.7 | -163.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 32 | T | 45 | Very low | 53.6 | Low | 151 Ų | 151 | 118 Ų | 118 | 93% | 0.926 | 73% | 0.733 | S | S | * | * | | | trans | -137.6 | 57.3 | 153 | 55 | 0 | 0 | 0 | 0 | 109 | | |
| 33 | G | 39.7 | Very low | 51.5 | Low | 72 Ų | 72 | 115.1 Ų | 115.1 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | | | trans | -108 | 91.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 34 | A | 40.6 | Very low | 49.4 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | trans | -75.3 | 117.7 | 157 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 35 | A | 40.9 | Very low | 47.6 | Very low | 103 Ų | 103 | 118.2 Ų | 118.2 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 80.7 | 122.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 36 | G | 39.6 | Very low | 46.2 | Very low | 79 Ų | 79 | 115.6 Ų | 115.6 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | | | trans | 90.3 | 108 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 37 | G | 38.2 | Very low | 44.7 | Very low | 69 Ų | 69 | 116.9 Ų | 116.9 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | | 87.7 | 90.9 | 71 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 38 | I | 35.9 | Very low | 43.4 | Very low | 183 Ų | 183 | 116.4 Ų | 116.4 | 94% | 0.938 | 79% | 0.79 | S | S | * | * | | | | 27.5 | 110.4 | 106.2 | -40.4 | 179.5 | 0 | 0 | 0 | 112.3 | | |
| 39 | G | 38.2 | Very low | 42.8 | Very low | 77 Ų | 77 | 117.3 Ų | 117.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 151.3 | 117.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 40 | A | 37.2 | Very low | 42 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -71 | 159.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 41 | G | 36.6 | Very low | 41.4 | Very low | 64 Ų | 64 | 117.5 Ų | 117.5 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | trans | 121.5 | 91.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 42 | R | 40.4 | Very low | 41.5 | Very low | 229 Ų | 229 | 120.9 Ų | 120.9 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | | 79.1 | 124.2 | 89.2 | -78.4 | -178.9 | 151.6 | -117.2 | -5 | 113.5 | | |
| 43 | T | 39.9 | Very low | 41.5 | Very low | 136 Ų | 136 | 117.1 Ų | 117.1 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | trans | 77.3 | 139 | 163.7 | 75.1 | 0 | 0 | 0 | 0 | 116 | | |
| 44 | R | 40.5 | Very low | 42.3 | Very low | 233 Ų | 233 | 119.4 Ų | 119.4 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | | | cis | -176.9 | 106.4 | -7.3 | 170.5 | 177.5 | -175.5 | -178.2 | 0.9 | 103.6 | | |
| 45 | A | 42.5 | Very low | 42.8 | Very low | 91 Ų | 91 | 122.4 Ų | 122.4 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | | | | 76.9 | 152.2 | 113.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 46 | P | 48.4 | Very low | 43.7 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | | | trans | -111.9 | 157.1 | -147.2 | 39.9 | -29.6 | 0 | 0 | 0 | 114.5 | | |
| 47 | S | 43.2 | Very low | 44.2 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -169 | 118 | 165.4 | 29.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 48 | L | 44.9 | Very low | 45 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | | | | 92.8 | 136.8 | 88.7 | -71.7 | 169.3 | 0 | 0 | 0 | 113.1 | | |
| 49 | A | 49.3 | Very low | 45.4 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | | | trans | 95.4 | 98.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 50 | S | 41.5 | Very low | 45.7 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | | 18.1 | 145.9 | 115.5 | -48.4 | 0 | 0 | 0 | 0 | 118 | | |
| 51 | S | 42.9 | Very low | 46.9 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | cis | -179 | 143.8 | 10.4 | 42.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 52 | S | 47.2 | Very low | 48 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | 177.6 | 120.8 | 153.9 | -89 | 0 | 0 | 0 | 0 | 106.4 | | |
| 53 | G | 44.1 | Very low | 48.5 | Very low | 72 Ų | 72 | 135.4 Ų | 135.4 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | cis | 105.2 | 91.3 | 35.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 54 | S | 55.5 | Low | 49.1 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | 172.1 | 115.9 | 142.5 | 40.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 55 | D | 51.7 | Low | 49.5 | Very low | 164 Ų | 164 | 127.1 Ų | 127.1 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | -61.6 | 127.4 | 167.4 | -59.7 | -86.7 | 0 | 0 | 0 | 111 | | |
| 56 | K | 61.1 | Low | 50.3 | Low | 203 Ų | 203 | 126.8 Ų | 126.8 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -149.2 | 113.3 | 151.2 | -109 | 177.6 | -179.6 | 177.8 | 0 | 108.6 | D58 | K56-D58 PolarHBondContact O-N 3.02Š|
| 57 | E | 49 | Very low | 50.8 | Low | 188 Ų | 188 | 127.3 Ų | 127.3 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -57.6 | 117.7 | 166.6 | -61.6 | 179.2 | 96.8 | 0 | 0 | 109 | | |
| 58 | D | 54.6 | Low | 51.6 | Low | 148 Ų | 148 | 127.5 Ų | 127.5 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -139.9 | 111.6 | 155.1 | -172.4 | 48.5 | 0 | 0 | 0 | 108.9 | K56 G60 | K56-D58 PolarHBondContact O-N 3.02Å; D58-G60 PolarHBondContact O-N 3.4Å |
| 59 | N | 43.9 | Very low | 52.7 | Low | 162 Ų | 162 | 129.9 Ų | 129.9 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | -71.1 | 71.5 | 175.7 | -84 | -80.8 | 0 | 0 | 0 | 109.5 | | |
| 60 | G | 46.1 | Very low | 53.7 | Low | 53 Ų | 53 | 131.3 Ų | 131.3 | 55% | 0.546 | 79% | 0.79 | S | S | . | * | | | trans | -106.3 | 96.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D58 | D58-G60 PolarHBondContact O-N 3.4Š|
| 61 | K | 61.5 | Low | 55.1 | Low | 194 Ų | 194 | 136.7 Ų | 136.7 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -43.8 | 134.7 | 171.4 | -154.3 | 176.6 | -170.6 | -169.9 | 0 | 110.8 | | |
| 62 | P | 59 | Low | 56.7 | Low | 100 Ų | 100 | 136.8 Ų | 136.8 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | | | trans | -61.5 | 149.2 | -178.3 | 26.6 | -34.3 | 0 | 0 | 0 | 110.3 | S64 | P62-S64 PolarHBondContact O-N 3.44Š|
| 63 | P | 51.2 | Low | 58.1 | Low | 140 Ų | 140 | 136.9 Ų | 136.9 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | -70.5 | 78.5 | 176.3 | 30.3 | -33.6 | 0 | 0 | 0 | 109.1 | | |
| 64 | S | 52.3 | Low | 59.4 | Low | 87 Ų | 87 | 144.8 Ų | 144.8 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | | | trans | -82.5 | 125.2 | 175.1 | 78.6 | 0 | 0 | 0 | 0 | 109.6 | P62 | P62-S64 PolarHBondContact O-N 3.44Š|
| 65 | S | 49.4 | Very low | 60.3 | Low | 108 Ų | 108 | 150.3 Ų | 150.3 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | 76.3 | 122.7 | 144.9 | 65.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 66 | A | 59.9 | Low | 61.2 | Low | 84 Ų | 84 | 152.1 Ų | 152.1 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -32.1 | 152.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115 | S68 | A66-S68 PolarHBondContact O-N 3.07Š|
| 67 | P | 59.5 | Low | 61.6 | Low | 131 Ų | 131 | 152.8 Ų | 152.8 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -60.9 | 104.8 | -177.6 | 25.6 | -33.3 | 0 | 0 | 0 | 110.3 | R69 | P67-R69 PolarHBondContact O-N 3.25Š|
| 68 | S | 59 | Low | 62.6 | Low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | -60.4 | 111.1 | 168.3 | 172 | 0 | 0 | 0 | 0 | 107.7 | A66 | A66-S68 PolarHBondContact O-N 3.07Š|
| 69 | R | 68.9 | Low | 62.7 | Low | 222 Ų | 222 | 153 Ų | 153 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 137.3 | 168.9 | -91.6 | -179.3 | 172.4 | -119.7 | 0.7 | 109.5 | P67 R71 | P67-R69 PolarHBondContact O-N 3.25Å; R69-R71 PolarHBondContact O-N 3.41Å; R69-R71 VanDerWaalsContact O-N 3.14Å |
| 70 | P | 69.3 | Low | 63.3 | Low | 123 Ų | 123 | 149.2 Ų | 149.2 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 122 | 177.1 | 24.7 | -30.7 | 0 | 0 | 0 | 108.4 | | |
| 71 | R | 72.3 | Confident | 63.9 | Low | 228 Ų | 228 | 149.9 Ų | 149.9 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 133.4 | 172.3 | -80 | -177.7 | 179.7 | -116.4 | 2.7 | 107.8 | R69 | R69-R71 PolarHBondContact O-N 3.41Å; R69-R71 VanDerWaalsContact O-N 3.14Å |
| 72 | P | 75.7 | Confident | 64 | Low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -52 | 143.1 | 175.6 | -24 | 31.8 | 0 | 0 | 0 | 110.3 | R74 | P72-R74 PolarHBondContact O-N 3.21Š|
| 73 | P | 76 | Confident | 64.6 | Low | 128 Ų | 128 | 140.4 Ų | 140.4 | 83% | 0.831 | 73% | 0.727 | S | S | * | * | | | trans | -52.6 | 106.2 | 177.3 | -24.6 | 33.1 | 0 | 0 | 0 | 109.5 | R75 | P73-R75 PolarHBondContact O-N 2.84Š|
| 74 | R | 72.2 | Confident | 65.8 | Low | 238 Ų | 238 | 136.3 Ų | 136.3 | 90% | 0.898 | 70% | 0.695 | S | S | * | * | | | trans | -64 | 107.9 | 176.4 | -171.1 | 176.2 | 176.7 | 124.2 | -0.7 | 105.6 | P72 K76 | P72-R74 PolarHBondContact O-N 3.21Å; R74-K76 PolarHBondContact O-N 3.45Å; R74-K76 VanDerWaalsContact O-N 3.16Å |
| 75 | R | 73.4 | Confident | 67.3 | Low | 236 Ų | 236 | 136.9 Ų | 136.9 | 89% | 0.891 | 69% | 0.689 | S | S | * | * | | | trans | -43.5 | 126.2 | 173 | -79.5 | 173.9 | 63.5 | -169.8 | -1 | 107.6 | P73 R77 | P73-R75 PolarHBondContact O-N 2.84Å; R75-R77 PolarHBondContact O-N 3.24Å; R75-R77 VanDerWaalsContact O-N 3.1Å |
| 76 | K | 71 | Confident | 69.1 | Low | 202 Ų | 202 | 135.4 Ų | 135.4 | 88% | 0.878 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 122.3 | 174.2 | -68.4 | -75.5 | -176.2 | 171.2 | 0 | 106.6 | R74 R78 | R74-K76 PolarHBondContact O-N 3.45Å; R74-K76 VanDerWaalsContact O-N 3.16Å; K76-R78 PolarHBondContact O-N 2.84Å; K76-R78 VanDerWaalsContact O-N 3.12Å |
| 77 | R | 70.3 | Confident | 70.6 | Confident | 218 Ų | 218 | 136.8 Ų | 136.8 | 82% | 0.823 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 119.7 | 177 | 177.9 | 176.1 | 147.9 | -172.5 | -6.9 | 106.7 | R75 E79 | R75-R77 PolarHBondContact O-N 3.24Å; R75-R77 VanDerWaalsContact O-N 3.1Å; R77-E79 PolarHBondContact O-N 2.85Å |
| 78 | R | 69 | Low | 71.9 | Confident | 161 Ų | 161 | 134.5 Ų | 134.5 | 61% | 0.608 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 134.1 | 174.7 | -177.1 | 172.8 | 173.1 | -118.6 | -7.2 | 107.6 | K76 S80 T81 E84 | K76-R78 PolarHBondContact O-N 2.84Å; K76-R78 VanDerWaalsContact O-N 3.12Å; R78-S80 PolarHBondContact O-N 3.08Å; R78-S80 VanDerWaalsContact O-N 3.12Å; R78-T81 PolarHBondContact NH2-OG1 2.73Å; R78-T81 VanDerWaalsContact NH2-OG1 3.14Å; R78-E84 IonicContact CZ-OE2 3.48Å; R78-E84 VanDerWaalsContact NH1-CD 3.34Å; R78-E84 IonicContact NH1-OE1 2.83Å; R78-E84 PolarHBondContact NH1-OE1 3.44Å; R78-E84 VanDerWaalsContact NH1-OE1 3.13Å; R78-E84 IonicContact NH1-OE2 3.25Å; R78-E84 PolarHBondContact NH1-OE2 2.87Å |
| 79 | E | 56.2 | Low | 73.4 | Confident | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 119.2 | 171.7 | -67.1 | 174.6 | -178.8 | 0 | 0 | 107.3 | R77 T81 | R77-E79 PolarHBondContact O-N 2.85Å; E79-T81 PolarHBondContact O-N 2.8Å |
| 80 | S | 57.2 | Low | 74.5 | Confident | 83 Ų | 83 | 126.9 Ų | 126.9 | 58% | 0.58 | 62% | 0.618 | S | S | * | * | | | trans | -61.6 | 107.9 | -173.8 | 26 | 0 | 0 | 0 | 0 | 108.8 | R78 | R78-S80 PolarHBondContact O-N 3.08Å; R78-S80 VanDerWaalsContact O-N 3.12Å |
| 81 | T | 59.7 | Low | 75.6 | Confident | 67 Ų | 67 | 125.3 Ų | 125.3 | 41% | 0.411 | 60% | 0.599 | S | S | . | * | | | trans | -80.9 | 131.4 | 178.3 | 13.6 | 0 | 0 | 0 | 0 | 107.5 | R78 E79 A83 E84 | R78-T81 PolarHBondContact NH2-OG1 2.73Å; R78-T81 VanDerWaalsContact NH2-OG1 3.14Å; E79-T81 PolarHBondContact O-N 2.8Å; T81-A83 PolarHBondContact O-N 2.81Å; T81-E84 PolarHBondContact O-N 2.75Å |
| 82 | S | 63.6 | Low | 76.5 | Confident | 58 Ų | 58 | 114.7 Ų | 114.7 | 41% | 0.406 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -59.1 | 122.5 | 176.8 | -170 | 0 | 0 | 0 | 0 | 108.7 | V97 | S82-V97 PolarHBondContact OG-N 2.99Š|
| 83 | A | 70.3 | Confident | 77.1 | Confident | 38 Ų | 38 | 112.4 Ų | 112.4 | 31% | 0.314 | 54% | 0.54 | S | S | . | . | S | Bend | trans | 86.4 | 47.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T81 S95 F96 | T81-A83 PolarHBondContact O-N 2.81Å; A83-S95 WeakPolarHBondContact CA-O 3.49Å; A83-S95 PolarHBondContact N-O 2.82Å; A83-F96 HydrophobicContact CB-CE1 4.25Å |
| 84 | E | 75.8 | Confident | 77.8 | Confident | 54 Ų | 54 | 107.1 Ų | 107.1 | 25% | 0.252 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 126.8 | 163 | -167.3 | 77.3 | 167.1 | 0 | 0 | 109.4 | R78 T81 T94 S95 | R78-E84 IonicContact CZ-OE2 3.48Å; R78-E84 VanDerWaalsContact NH1-CD 3.34Å; R78-E84 IonicContact NH1-OE1 2.83Å; R78-E84 PolarHBondContact NH1-OE1 3.44Å; R78-E84 VanDerWaalsContact NH1-OE1 3.13Å; R78-E84 IonicContact NH1-OE2 3.25Å; R78-E84 PolarHBondContact NH1-OE2 2.87Å; T81-E84 PolarHBondContact O-N 2.75Å; E84-T94 CarbonylContact O-C 3.59Å; E84-T94 VanDerWaalsContact O-CA 3.27Å; E84-T94 WeakPolarHBondContact O-CA 3.29Å; E84-S95 PolarHBondContact O-N 3.28Å; E84-S95 PolarHBondContact O-OG 2.81Å |
| 85 | E | 85.3 | Confident | 78.6 | Confident | 99 Ų | 99 | 97.1 Ų | 97.1 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 121.1 | 177.3 | -177.5 | -176.5 | 171 | 0 | 0 | 109.5 | A92 M93 | E85-A92 HydrophobicContact CG-CB 4.14Å; E85-A92 WeakPolarHBondContact OE1-CB 3.36Å; E85-M93 CarbonylContact C-O 3.53Å; E85-M93 VanDerWaalsContact CA-O 3.29Å; E85-M93 WeakPolarHBondContact CA-O 3.42Å |
| 86 | D | 87.4 | Confident | 79.3 | Confident | 76 Ų | 76 | 86 Ų | 86 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.9 | 179.1 | -73.5 | -35.6 | 0 | 0 | 0 | 110.2 | I88 A92 M93 | D86-I88 HydrophobicContact CB-CG1 4.49Å; D86-A92 CarbonylContact O-C 3.51Å; D86-M93 HydrophobicContact CB-CE 4.26Å; D86-M93 PolarHBondContact N-O 3.14Å; D86-M93 PolarHBondContact O-N 3.13Å |
| 87 | I | 89.9 | Confident | 80 | Confident | 113 Ų | 113 | 80 Ų | 80 | 58% | 0.579 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.7 | 174.5 | -57.9 | 174.5 | 0 | 0 | 0 | 109.9 | F91 A92 | I87-F91 CarbonylContact C-O 3.55Å; I87-F91 VanDerWaalsContact CA-O 3.25Å; I87-F91 WeakPolarHBondContact CA-O 3.36Å; I87-A92 HydrophobicContact CG1-CB 4.39Å |
| 88 | I | 86.9 | Confident | 80.6 | Confident | 83 Ų | 83 | 73 Ų | 73 | 43% | 0.426 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 126.1 | -178.4 | -51.8 | 177.5 | 0 | 0 | 0 | 108.3 | D86 G90 F91 M93 | D86-I88 HydrophobicContact CB-CG1 4.49Å; I88-G90 PolarHBondContact O-N 3.21Å; I88-G90 VanDerWaalsContact O-N 3.08Å; I88-F91 PolarHBondContact N-O 3.35Å; I88-F91 WeakPolarHBondContact O-CB 3Å; I88-F91 PolarHBondContact O-N 2.8Å; I88-M93 HydrophobicContact CD1-CE 3.62Å |
| 89 | D | 92.1 | Very high | 81.4 | Confident | 153 Ų | 153 | 71.2 Ų | 71.2 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 35.7 | 173.8 | -59.4 | -22.9 | 0 | 0 | 0 | 115 | F91 | D89-F91 VanDerWaalsContact O-CD2 3.28Å; D89-F91 WeakPolarHBondContact O-CD2 3.49Å |
| 90 | G | 91.9 | Very high | 82.7 | Confident | 19 Ų | 19 | 67.9 Ų | 67.9 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 14.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I88 V256 | I88-G90 PolarHBondContact O-N 3.21Å; I88-G90 VanDerWaalsContact O-N 3.08Å; G90-V256 PolarHBondContact O-N 3.27Å |
| 91 | F | 91.4 | Very high | 84 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 40% | 0.395 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.8 | 174.9 | -61.3 | -91.6 | 0 | 0 | 0 | 111.2 | I87 I88 D89 L253 V254 P255 | I87-F91 CarbonylContact C-O 3.55Å; I87-F91 VanDerWaalsContact CA-O 3.25Å; I87-F91 WeakPolarHBondContact CA-O 3.36Å; I88-F91 PolarHBondContact N-O 3.35Å; I88-F91 WeakPolarHBondContact O-CB 3Å; I88-F91 PolarHBondContact O-N 2.8Å; D89-F91 VanDerWaalsContact O-CD2 3.28Å; D89-F91 WeakPolarHBondContact O-CD2 3.49Å; F91-L253 HydrophobicContact CB-CD1 3.5Å; F91-L253 HydrophobicContact CB-CD2 4.35Å; F91-L253 HydrophobicContact CB-CG 3.86Å; F91-L253 HydrophobicContact CD1-CD2 4.2Å; F91-L253 HydrophobicContact CD1-CG 4.06Å; F91-L253 HydrophobicContact CG-CD1 4.32Å; F91-L253 HydrophobicContact CG-CD2 4.3Å; F91-L253 HydrophobicContact CG-CG 4.21Å; F91-V254 CarbonylContact C-O 3.49Å; F91-V254 VanDerWaalsContact CA-O 3.3Å; F91-V254 WeakPolarHBondContact CA-O 3.4Å; F91-P255 HydrophobicContact CD1-CB 4.08Å; F91-P255 HydrophobicContact CE1-CB 3.97Å |
| 92 | A | 90.3 | Very high | 85.2 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 121.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | E85 D86 I87 L253 V254 V256 | E85-A92 HydrophobicContact CG-CB 4.14Å; E85-A92 WeakPolarHBondContact OE1-CB 3.36Å; D86-A92 CarbonylContact O-C 3.51Å; I87-A92 HydrophobicContact CG1-CB 4.39Å; A92-L253 CarbonylContact O-C 3.55Å; A92-L253 WeakPolarHBondContact O-CA 3.38Å; A92-V254 PolarHBondContact N-O 3.49Å; A92-V254 PolarHBondContact O-N 3.24Å; A92-V256 HydrophobicContact CB-CG2 3.67Å |
| 93 | M | 89 | Confident | 86.4 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 111.6 | 177.9 | -177.7 | 174.3 | 58 | 0 | 0 | 109.3 | E85 D86 I88 L252 L253 | E85-M93 CarbonylContact C-O 3.53Å; E85-M93 VanDerWaalsContact CA-O 3.29Å; E85-M93 WeakPolarHBondContact CA-O 3.42Å; D86-M93 HydrophobicContact CB-CE 4.26Å; D86-M93 PolarHBondContact N-O 3.14Å; D86-M93 PolarHBondContact O-N 3.13Å; I88-M93 HydrophobicContact CD1-CE 3.62Å; M93-L252 CarbonylContact C-O 3.56Å; M93-L252 WeakPolarHBondContact CA-O 3.12Å; M93-L253 HydrophobicContact CB-CD1 3.76Å; M93-L253 HydrophobicContact CG-CD1 4.33Å |
| 94 | T | 90.2 | Very high | 86.9 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.7 | 176.8 | -50.5 | 0 | 0 | 0 | 0 | 110.7 | E84 F96 C251 L252 | E84-T94 CarbonylContact O-C 3.59Å; E84-T94 VanDerWaalsContact O-CA 3.27Å; E84-T94 WeakPolarHBondContact O-CA 3.29Å; T94-F96 HydrophobicContact CG2-CD2 4.41Å; T94-F96 HydrophobicContact CG2-CE1 4.2Å; T94-F96 HydrophobicContact CG2-CE2 3.56Å; T94-F96 HydrophobicContact CG2-CZ 3.43Å; T94-F96 VanDerWaalsContact CG2-CZ 3.43Å; T94-C251 CarbonylContact O-C 3.52Å; T94-C251 WeakPolarHBondContact O-CA 3.4Å; T94-L252 PolarHBondContact N-O 2.86Å; T94-L252 PolarHBondContact O-N 3.35Å |
| 95 | S | 89.1 | Confident | 87 | Confident | 28 Ų | 28 | 68.2 Ų | 68.2 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 137.6 | 179.9 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | A83 E84 T250 | A83-S95 WeakPolarHBondContact CA-O 3.49Å; A83-S95 PolarHBondContact N-O 2.82Å; E84-S95 PolarHBondContact O-N 3.28Å; E84-S95 PolarHBondContact O-OG 2.81Å; S95-T250 CarbonylContact C-O 3.49Å; S95-T250 WeakPolarHBondContact CA-O 3.46Å |
| 96 | F | 88.8 | Confident | 86.7 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 1% | 0.013 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 137.4 | -178.3 | -56.8 | -89.4 | 0 | 0 | 0 | 111 | A83 T94 T98 A101 L102 D105 V249 T250 L252 | A83-F96 HydrophobicContact CB-CE1 4.25Å; T94-F96 HydrophobicContact CG2-CD2 4.41Å; T94-F96 HydrophobicContact CG2-CE1 4.2Å; T94-F96 HydrophobicContact CG2-CE2 3.56Å; T94-F96 HydrophobicContact CG2-CZ 3.43Å; T94-F96 VanDerWaalsContact CG2-CZ 3.43Å; F96-T98 VanDerWaalsContact C-N 3.34Å; F96-A101 HydrophobicContact CB-CB 4.29Å; F96-A101 HydrophobicContact CD1-CB 3.82Å; F96-A101 HydrophobicContact CG-CB 4.45Å; F96-L102 HydrophobicContact CB-CB 4.38Å; F96-L102 HydrophobicContact CD2-CB 3.88Å; F96-L102 HydrophobicContact CD2-CD1 3.59Å; F96-L102 HydrophobicContact CD2-CG 4.35Å; F96-L102 HydrophobicContact CE2-CB 4.34Å; F96-L102 HydrophobicContact CE2-CD1 3.47Å; F96-L102 VanDerWaalsContact CE2-CD1 3.47Å; F96-L102 HydrophobicContact CG-CB 4.08Å; F96-L102 HydrophobicContact CZ-CD1 4.38Å; F96-D105 HydrophobicContact CE1-CB 3.64Å; F96-D105 HydrophobicContact CE2-CB 4.45Å; F96-D105 HydrophobicContact CZ-CB 3.44Å; F96-D105 VanDerWaalsContact CZ-CB 3.44Å; F96-D105 VanDerWaalsContact CZ-CG 3.47Å; F96-V249 CarbonylContact O-C 3.51Å; F96-V249 WeakPolarHBondContact O-CA 3.4Å; F96-T250 WeakPolarHBondContact CB-OG1 3.29Å; F96-T250 PolarHBondContact N-O 3.25Å; F96-T250 PolarHBondContact O-N 2.82Å; F96-T250 PolarHBondContact O-OG1 3.43Å; F96-L252 HydrophobicContact CE2-CB 4.4Å |
| 97 | V | 85.1 | Confident | 86 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -76.3 | -24.9 | 179.1 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | S82 | S82-V97 PolarHBondContact OG-N 2.99Š|
| 98 | T | 84.3 | Confident | 84.7 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -131.4 | 147.7 | 179.2 | 64 | 0 | 0 | 0 | 0 | 110.7 | F96 E100 A101 L102 | F96-T98 VanDerWaalsContact C-N 3.34Å; T98-E100 VanDerWaalsContact C-N 3.29Å; T98-E100 PolarHBondContact O-N 2.83Å; T98-A101 WeakPolarHBondContact O-CB 3.34Å; T98-A101 PolarHBondContact O-N 3.34Å; T98-A101 WeakPolarHBondContact OG1-CB 3.45Å; T98-A101 PolarHBondContact OG1-N 3.12Å; T98-L102 PolarHBondContact O-N 3.42Å |
| 99 | F | 84.4 | Confident | 83.3 | Confident | 123 Ų | 123 | 69 Ų | 69 | 54% | 0.539 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 176.4 | -178.2 | -108.3 | 0 | 0 | 0 | 112.1 | A101 L102 E103 | F99-A101 PolarHBondContact O-N 3.12Å; F99-L102 HydrophobicContact CD2-CD2 4.11Å; F99-L102 HydrophobicContact CE2-CD2 4.16Å; F99-L102 WeakPolarHBondContact O-CB 3.28Å; F99-L102 PolarHBondContact O-N 3Å; F99-L102 VanDerWaalsContact O-N 3.07Å; F99-E103 HydrophobicContact CD1-CG 4.05Å; F99-E103 HydrophobicContact CE1-CG 3.67Å; F99-E103 WeakPolarHBondContact CE1-OE1 3.25Å; F99-E103 HydrophobicContact CE2-CG 4.46Å; F99-E103 HydrophobicContact CZ-CG 3.88Å; F99-E103 PolarHBondContact O-N 3.16Å |
| 100 | E | 85 | Confident | 81.7 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.6 | -35 | 175.5 | -170.2 | -169.9 | 165.8 | 0 | 0 | 112.2 | T98 K104 | T98-E100 VanDerWaalsContact C-N 3.29Å; T98-E100 PolarHBondContact O-N 2.83Å; E100-K104 HydrophobicContact CG-CD 4.49Å; E100-K104 VanDerWaalsContact O-CG 3.3Å; E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 3.1Å; E100-K104 VanDerWaalsContact OE1-CE 3.3Å; E100-K104 WeakPolarHBondContact OE1-CE 3.27Å; E100-K104 IonicContact OE1-NZ 3.59Å; E100-K104 PolarHBondContact OE1-NZ 3.23Å |
| 101 | A | 83.8 | Confident | 79.9 | Confident | 26 Ų | 26 | 73.6 Ų | 73.6 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F96 T98 F99 D105 | F96-A101 HydrophobicContact CB-CB 4.29Å; F96-A101 HydrophobicContact CD1-CB 3.82Å; F96-A101 HydrophobicContact CG-CB 4.45Å; T98-A101 WeakPolarHBondContact O-CB 3.34Å; T98-A101 PolarHBondContact O-N 3.34Å; T98-A101 WeakPolarHBondContact OG1-CB 3.45Å; T98-A101 PolarHBondContact OG1-N 3.12Å; F99-A101 PolarHBondContact O-N 3.12Å; A101-D105 WeakPolarHBondContact O-CB 3.16Å; A101-D105 PolarHBondContact O-N 3.21Å; A101-D105 VanDerWaalsContact O-N 3.09Å |
| 102 | L | 85.6 | Confident | 78 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 14% | 0.136 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 173.9 | 174.1 | 72.9 | 0 | 0 | 0 | 111.3 | F96 T98 F99 K104 D105 V106 L252 | F96-L102 HydrophobicContact CB-CB 4.38Å; F96-L102 HydrophobicContact CD2-CB 3.88Å; F96-L102 HydrophobicContact CD2-CD1 3.59Å; F96-L102 HydrophobicContact CD2-CG 4.35Å; F96-L102 HydrophobicContact CE2-CB 4.34Å; F96-L102 HydrophobicContact CE2-CD1 3.47Å; F96-L102 VanDerWaalsContact CE2-CD1 3.47Å; F96-L102 HydrophobicContact CG-CB 4.08Å; F96-L102 HydrophobicContact CZ-CD1 4.38Å; T98-L102 PolarHBondContact O-N 3.42Å; F99-L102 HydrophobicContact CD2-CD2 4.11Å; F99-L102 HydrophobicContact CE2-CD2 4.16Å; F99-L102 WeakPolarHBondContact O-CB 3.28Å; F99-L102 PolarHBondContact O-N 3Å; F99-L102 VanDerWaalsContact O-N 3.07Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 3.29Å; L102-D105 WeakPolarHBondContact O-CA 3.48Å; L102-D105 WeakPolarHBondContact O-CB 3.35Å; L102-D105 PolarHBondContact O-N 2.94Å; L102-V106 HydrophobicContact CD1-CG2 4.16Å; L102-V106 HydrophobicContact CG-CG2 4.4Å; L102-V106 WeakPolarHBondContact O-CG2 3.48Å; L102-V106 PolarHBondContact O-N 2.78Å; L102-L252 HydrophobicContact CD1-CB 3.8Å; L102-L252 HydrophobicContact CD1-CD2 4.34Å; L102-L252 HydrophobicContact CD1-CG 4.47Å |
| 103 | E | 86.9 | Confident | 76.3 | Confident | 107 Ų | 107 | 78 Ų | 78 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | -178.9 | -71.4 | -174.4 | 137 | 0 | 0 | 112.1 | F99 D105 V106 A107 | F99-E103 HydrophobicContact CD1-CG 4.05Å; F99-E103 HydrophobicContact CE1-CG 3.67Å; F99-E103 WeakPolarHBondContact CE1-OE1 3.25Å; F99-E103 HydrophobicContact CE2-CG 4.46Å; F99-E103 HydrophobicContact CZ-CG 3.88Å; F99-E103 PolarHBondContact O-N 3.16Å; E103-D105 PolarHBondContact O-N 2.83Å; E103-V106 PolarHBondContact O-N 2.92Å; E103-A107 WeakPolarHBondContact O-CB 3.45Å; E103-A107 PolarHBondContact O-N 3.15Å |
| 104 | K | 82.4 | Confident | 74.6 | Confident | 121 Ų | 121 | 78.6 Ų | 78.6 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -32.1 | 174.7 | -69.9 | 172.1 | -175.3 | 173 | 0 | 112.1 | E100 L102 V108 | E100-K104 HydrophobicContact CG-CD 4.49Å; E100-K104 VanDerWaalsContact O-CG 3.3Å; E100-K104 WeakPolarHBondContact O-CG 3.35Å; E100-K104 PolarHBondContact O-N 3.1Å; E100-K104 VanDerWaalsContact OE1-CE 3.3Å; E100-K104 WeakPolarHBondContact OE1-CE 3.27Å; E100-K104 IonicContact OE1-NZ 3.59Å; E100-K104 PolarHBondContact OE1-NZ 3.23Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 3.29Å; K104-V108 WeakPolarHBondContact O-CG2 3.5Å |
| 105 | D | 77.6 | Confident | 72.8 | Confident | 27 Ų | 27 | 84.5 Ų | 84.5 | 14% | 0.144 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -71.5 | -48.7 | 178.8 | -150.8 | 82.8 | 0 | 0 | 0 | 111.7 | F96 A101 L102 E103 A107 V108 R113 | F96-D105 HydrophobicContact CE1-CB 3.64Å; F96-D105 HydrophobicContact CE2-CB 4.45Å; F96-D105 HydrophobicContact CZ-CB 3.44Å; F96-D105 VanDerWaalsContact CZ-CB 3.44Å; F96-D105 VanDerWaalsContact CZ-CG 3.47Å; A101-D105 WeakPolarHBondContact O-CB 3.16Å; A101-D105 PolarHBondContact O-N 3.21Å; A101-D105 VanDerWaalsContact O-N 3.09Å; L102-D105 WeakPolarHBondContact O-CA 3.48Å; L102-D105 WeakPolarHBondContact O-CB 3.35Å; L102-D105 PolarHBondContact O-N 2.94Å; E103-D105 PolarHBondContact O-N 2.83Å; D105-A107 VanDerWaalsContact C-N 3.28Å; D105-A107 PolarHBondContact O-N 2.91Å; D105-V108 PolarHBondContact O-N 2.93Å; D105-V108 VanDerWaalsContact O-N 3.1Å; D105-R113 VanDerWaalsContact CG-NH1 3.26Å; D105-R113 PolarHBondContact O-NH1 2.83Å; D105-R113 IonicContact OD1-CZ 3.86Å; D105-R113 IonicContact OD1-NE 3.33Å; D105-R113 PolarHBondContact OD1-NE 2.87Å; D105-R113 IonicContact OD1-NH1 2.95Å; D105-R113 PolarHBondContact OD1-NH1 2.79Å; D105-R113 IonicContact OD1-NH2 3.39Å; D105-R113 PolarHBondContact OD1-NH2 2.92Å; D105-R113 IonicContact OD2-CZ 2.78Å; D105-R113 IonicContact OD2-NE 3.09Å; D105-R113 IonicContact OD2-NH1 2.75Å; D105-R113 PolarHBondContact OD2-NH1 2.85Å; D105-R113 VanDerWaalsContact OD2-NH1 3.09Å |
| 106 | V | 77.8 | Confident | 70.9 | Confident | 89 Ų | 89 | 91 Ų | 91 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.6 | -33.8 | 178.2 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | L102 E103 V108 L252 | L102-V106 HydrophobicContact CD1-CG2 4.16Å; L102-V106 HydrophobicContact CG-CG2 4.4Å; L102-V106 WeakPolarHBondContact O-CG2 3.48Å; L102-V106 PolarHBondContact O-N 2.78Å; E103-V106 PolarHBondContact O-N 2.92Å; V106-V108 VanDerWaalsContact C-N 3.27Å; V106-V108 PolarHBondContact O-N 2.68Å; V106-L252 HydrophobicContact CG2-CD2 3.93Å |
| 107 | A | 73.4 | Confident | 69.1 | Low | 83 Ų | 83 | 99.7 Ų | 99.7 | 69% | 0.686 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.5 | -27.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E103 D105 | E103-A107 WeakPolarHBondContact O-CB 3.45Å; E103-A107 PolarHBondContact O-N 3.15Å; D105-A107 VanDerWaalsContact C-N 3.28Å; D105-A107 PolarHBondContact O-N 2.91Å |
| 108 | V | 63.6 | Low | 67.3 | Low | 53 Ų | 53 | 103.5 Ų | 103.5 | 32% | 0.321 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -90.2 | 124 | 175.3 | 175.5 | 0 | 0 | 0 | 0 | 107.9 | K104 D105 V106 E112 R113 | K104-V108 WeakPolarHBondContact O-CG2 3.5Å; D105-V108 PolarHBondContact O-N 2.93Å; D105-V108 VanDerWaalsContact O-N 3.1Å; V106-V108 VanDerWaalsContact C-N 3.27Å; V106-V108 PolarHBondContact O-N 2.68Å; V108-E112 HydrophobicContact CG1-CB 4.41Å; V108-R113 PolarHBondContact O-NH1 2.79Å |
| 109 | K | 56.5 | Low | 65.3 | Low | 163 Ų | 163 | 105.9 Ų | 105.9 | 71% | 0.709 | 53% | 0.534 | S | S | * | . | | | trans | -50.9 | 130.8 | -176.5 | -76.2 | -77.3 | 159.7 | -178.4 | 0 | 110.3 | Q111 E112 | K109-Q111 PolarHBondContact O-N 3.13Å; K109-E112 PolarHBondContact O-N 3.32Å |
| 110 | P | 59.3 | Low | 63.7 | Low | 98 Ų | 98 | 105.2 Ų | 105.2 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -51.4 | -29.9 | -176.3 | -26.3 | 31.3 | 0 | 0 | 0 | 113.4 | E112 R113 | P110-E112 VanDerWaalsContact C-N 3.31Å; P110-E112 PolarHBondContact O-N 3.14Å; P110-R113 PolarHBondContact O-N 3.06Å |
| 111 | Q | 53.2 | Low | 62.3 | Low | 170 Ų | 170 | 108.7 Ų | 108.7 | 79% | 0.794 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -65 | -23.7 | -178.4 | -169.7 | 172.7 | -20.4 | 0 | 0 | 114.7 | K109 | K109-Q111 PolarHBondContact O-N 3.13Š|
| 112 | E | 51.5 | Low | 60.5 | Low | 102 Ų | 102 | 112.7 Ų | 112.7 | 48% | 0.477 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -84.7 | -8.6 | -175.8 | -154.2 | -171.6 | 138.9 | 0 | 0 | 113.5 | V108 K109 P110 K116 | V108-E112 HydrophobicContact CG1-CB 4.41Å; K109-E112 PolarHBondContact O-N 3.32Å; P110-E112 VanDerWaalsContact C-N 3.31Å; P110-E112 PolarHBondContact O-N 3.14Å; E112-K116 IonicContact OE1-NZ 3.13Å |
| 113 | R | 54 | Low | 58.9 | Low | 83 Ų | 83 | 121.8 Ų | 121.8 | 31% | 0.313 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -87.1 | -24.5 | -173.6 | -70.8 | -158.7 | 161.2 | 74.6 | 12.4 | 115 | D105 V108 P110 E115 | D105-R113 VanDerWaalsContact CG-NH1 3.26Å; D105-R113 PolarHBondContact O-NH1 2.83Å; D105-R113 IonicContact OD1-CZ 3.86Å; D105-R113 IonicContact OD1-NE 3.33Å; D105-R113 PolarHBondContact OD1-NE 2.87Å; D105-R113 IonicContact OD1-NH1 2.95Å; D105-R113 PolarHBondContact OD1-NH1 2.79Å; D105-R113 IonicContact OD1-NH2 3.39Å; D105-R113 PolarHBondContact OD1-NH2 2.92Å; D105-R113 IonicContact OD2-CZ 2.78Å; D105-R113 IonicContact OD2-NE 3.09Å; D105-R113 IonicContact OD2-NH1 2.75Å; D105-R113 PolarHBondContact OD2-NH1 2.85Å; D105-R113 VanDerWaalsContact OD2-NH1 3.09Å; V108-R113 PolarHBondContact O-NH1 2.79Å; P110-R113 PolarHBondContact O-N 3.06Å; R113-E115 VanDerWaalsContact C-N 3.29Å; R113-E115 PolarHBondContact O-N 3.35Å |
| 114 | A | 53.8 | Low | 57.6 | Low | 76 Ų | 76 | 126.2 Ų | 126.2 | 63% | 0.628 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -68.3 | -28.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K116 R117 | A114-K116 VanDerWaalsContact C-N 3.3Å; A114-K116 PolarHBondContact O-N 2.78Å; A114-R117 PolarHBondContact O-N 3.06Å |
| 115 | E | 52.2 | Low | 56.4 | Low | 141 Ų | 141 | 128 Ų | 128 | 66% | 0.659 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -72.9 | -21.2 | -174.1 | -62.5 | 179.6 | -178.3 | 0 | 0 | 113 | R113 | R113-E115 VanDerWaalsContact C-N 3.29Å; R113-E115 PolarHBondContact O-N 3.35Å |
| 116 | K | 49.9 | Very low | 55.2 | Low | 165 Ų | 165 | 138.5 Ų | 138.5 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -90.3 | -3.9 | -177.7 | -58.3 | -176.9 | -170.8 | 177.6 | 0 | 114.1 | E112 A114 | E112-K116 IonicContact OE1-NZ 3.13Å; A114-K116 VanDerWaalsContact C-N 3.3Å; A114-K116 PolarHBondContact O-N 2.78Å |
| 117 | R | 51.5 | Low | 53.9 | Low | 185 Ų | 185 | 141.1 Ų | 141.1 | 70% | 0.698 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -98.7 | -4.8 | 177.4 | -63.4 | -118.6 | 176.2 | 176 | 1.3 | 112.8 | A114 T119 | A114-R117 PolarHBondContact O-N 3.06Å; R117-T119 PolarHBondContact O-N 3.41Å |
| 118 | Q | 46.6 | Very low | 52.7 | Low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.724 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -76.6 | 99.6 | 170.2 | -67.5 | -169.4 | -5.8 | 0 | 0 | 110 | | |
| 119 | T | 41.7 | Very low | 52.2 | Low | 123 Ų | 123 | 146 Ų | 146 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | | | trans | 61.7 | 120.5 | 155.7 | 59.7 | 0 | 0 | 0 | 0 | 117.2 | R117 | R117-T119 PolarHBondContact O-N 3.41Š|
| 120 | P | 51.8 | Low | 52 | Low | 108 Ų | 108 | 143.6 Ų | 143.6 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | | -144.2 | 96.2 | 92.2 | 29.8 | -10.3 | 0 | 0 | 0 | 112.1 | T122 | P120-T122 HydrophobicContact CB-CG2 4.24Å; P120-T122 PolarHBondContact O-N 3.35Å |
| 121 | L | 54.3 | Low | 51 | Low | 181 Ų | 181 | 146.4 Ų | 146.4 | 95% | 0.948 | 72% | 0.724 | S | S | * | * | | | trans | -70.1 | 58.5 | 152.5 | -70.3 | 175.6 | 0 | 0 | 0 | 109 | | |
| 122 | T | 47.7 | Very low | 50.5 | Low | 111 Ų | 111 | 141.6 Ų | 141.6 | 68% | 0.681 | 72% | 0.721 | S | S | * | * | | | trans | -105.6 | 99.5 | 170.9 | 57.4 | 0 | 0 | 0 | 0 | 107.8 | P120 K124 | P120-T122 HydrophobicContact CB-CG2 4.24Å; P120-T122 PolarHBondContact O-N 3.35Å; T122-K124 PolarHBondContact O-N 3.01Å; T122-K124 VanDerWaalsContact O-N 3.09Å |
| 123 | K | 52.4 | Low | 50.6 | Low | 217 Ų | 217 | 144.4 Ų | 144.4 | 94% | 0.943 | 74% | 0.738 | S | S | * | * | | | trans | -58.2 | 107.4 | 168.1 | -64 | 174.4 | 176.5 | 174.4 | 0 | 108.5 | | |
| 124 | K | 58.5 | Low | 49.9 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | trans | -147.8 | 129.3 | 161.3 | -157.2 | 177.1 | 175.5 | -176.8 | 0 | 112.2 | T122 | T122-K124 PolarHBondContact O-N 3.01Å; T122-K124 VanDerWaalsContact O-N 3.09Å |
| 125 | K | 57.1 | Low | 49.6 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | -35.5 | 127 | 175.4 | -170.4 | -174.5 | -180 | -136.1 | 0 | 113.8 | E127 | K125-E127 IonicContact NZ-OE1 3.98Å; K125-E127 IonicContact NZ-OE2 3.39Å; K125-E127 PolarHBondContact NZ-OE2 3.06Å; K125-E127 PolarHBondContact O-N 3.26Å |
| 126 | R | 52.1 | Low | 49.5 | Very low | 248 Ų | 248 | 152.3 Ų | 152.3 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | | | trans | -67 | 115.8 | 169.9 | 179 | 178.7 | -177.1 | 156.3 | -0.1 | 108.9 | | |
| 127 | E | 50.1 | Low | 49.6 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | | | trans | -139.8 | 122.6 | 169.4 | -155.9 | 141.5 | -161.7 | 0 | 0 | 109.2 | K125 | K125-E127 IonicContact NZ-OE1 3.98Å; K125-E127 IonicContact NZ-OE2 3.39Å; K125-E127 PolarHBondContact NZ-OE2 3.06Å; K125-E127 PolarHBondContact O-N 3.26Å |
| 128 | A | 48.2 | Very low | 49.9 | Very low | 76 Ų | 76 | 151.1 Ų | 151.1 | 63% | 0.628 | 79% | 0.791 | S | S | * | * | | | trans | 48 | 106.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 129 | L | 53.8 | Low | 49.9 | Very low | 164 Ų | 164 | 153.6 Ų | 153.6 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | | | | 66 | 141.9 | 122.8 | -57.1 | 171 | 0 | 0 | 0 | 121.1 | | |
| 130 | T | 51.3 | Low | 50.1 | Low | 112 Ų | 112 | 152.6 Ų | 152.6 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | | | trans | 74.7 | 102.2 | 148.2 | 178.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 131 | N | 38.3 | Very low | 49.7 | Very low | 156 Ų | 156 | 158.9 Ų | 158.9 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | | 55 | 119 | 128.1 | -54.1 | -43.3 | 0 | 0 | 0 | 121 | | |
| 132 | G | 43.1 | Very low | 49.6 | Very low | 70 Ų | 70 | 157.6 Ų | 157.6 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | 104.4 | 134.3 | 139 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 133 | L | 53.8 | Low | 49.3 | Very low | 160 Ų | 160 | 157.6 Ų | 157.6 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | 98.3 | 106.3 | 156.8 | -46.8 | -177.7 | 0 | 0 | 0 | 117.9 | | |
| 134 | S | 38.9 | Very low | 49 | Very low | 111 Ų | 111 | 156.5 Ų | 156.5 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -79.4 | 144.1 | 166.5 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 135 | F | 49.1 | Very low | 48.3 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | | | trans | -120.4 | 124.6 | 168.5 | -78.8 | -84.6 | 0 | 0 | 0 | 112.7 | | |
| 136 | H | 48.5 | Very low | 47.9 | Very low | 164 Ų | 164 | 151.6 Ų | 151.6 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -65.7 | 146.2 | 166.2 | -94.3 | -82.3 | 0 | 0 | 0 | 111.2 | | |
| 137 | S | 53.3 | Low | 47.8 | Very low | 127 Ų | 127 | 148.8 Ų | 148.8 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -146.1 | 121.4 | 152.9 | -87.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 138 | K | 57.6 | Low | 47.7 | Very low | 197 Ų | 197 | 151.9 Ų | 151.9 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -96.3 | 144.3 | 179.5 | -69.9 | -177.4 | 176.9 | 176.9 | 0 | 109.9 | | |
| 139 | K | 46.8 | Very low | 47.4 | Very low | 208 Ų | 208 | 153.6 Ų | 153.6 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | trans | -33 | 129.3 | 176.6 | -71.9 | 162.9 | 165.7 | 175.5 | 0 | 116.2 | | |
| 140 | S | 45.1 | Very low | 47.4 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | trans | -104.4 | 122.9 | 159.5 | -178.3 | 0 | 0 | 0 | 0 | 110 | L142 | S140-L142 PolarHBondContact O-N 2.82Š|
| 141 | R | 43.7 | Very low | 47.7 | Very low | 240 Ų | 240 | 152.1 Ų | 152.1 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | -83.7 | 98.6 | 175.9 | -68.8 | 174.5 | -73.6 | -141.1 | -3.1 | 108.8 | | |
| 142 | L | 52.8 | Low | 48.9 | Very low | 154 Ų | 154 | 154.9 Ų | 154.9 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | trans | -114.6 | 104.1 | 166.7 | -71.4 | 170.9 | 0 | 0 | 0 | 109.4 | S140 H144 | S140-L142 PolarHBondContact O-N 2.82Å; L142-H144 PolarHBondContact O-N 3.33Å |
| 143 | S | 40.1 | Very low | 50 | Low | 110 Ų | 110 | 160.1 Ų | 160.1 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -53.1 | 122.6 | 157.9 | 56.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 144 | H | 46.8 | Very low | 50.4 | Low | 194 Ų | 194 | 159.3 Ų | 159.3 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -126.5 | 107.2 | 150.3 | -121.2 | 49.4 | 0 | 0 | 0 | 109.2 | L142 | L142-H144 PolarHBondContact O-N 3.33Š|
| 145 | S | 44.4 | Very low | 51.5 | Low | 80 Ų | 80 | 158.5 Ų | 158.5 | 56% | 0.559 | 79% | 0.789 | S | S | * | * | | | trans | -73.1 | 151.6 | 172.7 | -158.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 146 | H | 48.7 | Very low | 52.4 | Low | 175 Ų | 175 | 159.9 Ų | 159.9 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | 66.5 | 93.4 | 161.2 | -52.8 | -62.2 | 0 | 0 | 0 | 118.1 | | |
| 147 | H | 50.2 | Low | 53 | Low | 190 Ų | 190 | 157.4 Ų | 157.4 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | | | trans | -134.4 | 130.5 | 134.4 | -157 | -86.3 | 0 | 0 | 0 | 110.9 | | |
| 148 | Y | 46.2 | Very low | 53.2 | Low | 208 Ų | 208 | 158.1 Ų | 158.1 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | -50.7 | 145.6 | -173.9 | -110.3 | -116.8 | 0 | 0 | 0 | 115.4 | | |
| 149 | S | 42.5 | Very low | 52.8 | Low | 111 Ų | 111 | 154.8 Ų | 154.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -20.4 | 121.8 | 153.2 | -172.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 150 | S | 53.5 | Low | 53.5 | Low | 99 Ų | 99 | 151.8 Ų | 151.8 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | -144.8 | 53 | 159 | 174.7 | 0 | 0 | 0 | 0 | 109 | R152 | S150-R152 PolarHBondContact O-N 3.33Š|
| 151 | D | 59.4 | Low | 53.7 | Low | 147 Ų | 147 | 155.3 Ų | 155.3 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | trans | -91.1 | 49.8 | 174.8 | -156 | -2 | 0 | 0 | 0 | 110.4 | | |
| 152 | R | 63.1 | Low | 54.3 | Low | 213 Ų | 213 | 151.6 Ų | 151.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | -110 | 9.7 | -174 | -97.9 | -161.3 | 174.7 | 144.3 | 1.8 | 115.1 | S150 N154 | S150-R152 PolarHBondContact O-N 3.33Å; R152-N154 VanDerWaalsContact C-N 3.31Å; R152-N154 PolarHBondContact O-N 3.19Å |
| 153 | E | 65.1 | Low | 54.4 | Low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 4.2 | -175 | 44.9 | -175.9 | 92 | 0 | 0 | 115.1 | | |
| 154 | N | 63.7 | Low | 55.3 | Low | 142 Ų | 142 | 152.6 Ų | 152.6 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 25 | 174.3 | -162.4 | 7.8 | 0 | 0 | 0 | 114.2 | R152 R156 | R152-N154 VanDerWaalsContact C-N 3.31Å; R152-N154 PolarHBondContact O-N 3.19Å; N154-R156 PolarHBondContact O-N 3.37Å |
| 155 | D | 61.3 | Low | 55.8 | Low | 94 Ų | 94 | 153.7 Ų | 153.7 | 50% | 0.503 | 77% | 0.767 | S | S | . | * | | | trans | -85.9 | 90.6 | 176.9 | -140.5 | -28.6 | 0 | 0 | 0 | 110.6 | N157 L158 | D155-N157 PolarHBondContact O-N 3.34Å; D155-N157 WeakPolarHBondContact OD1-CB 3.43Å; D155-N157 PolarHBondContact OD1-ND2 2.94Å; D155-L158 PolarHBondContact O-N 3.33Å |
| 156 | R | 67.4 | Low | 56.7 | Low | 221 Ų | 221 | 160 Ų | 160 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -60.3 | 0.6 | 174 | -82.2 | -177.9 | 175.9 | -171.5 | -1.1 | 114 | N154 | N154-R156 PolarHBondContact O-N 3.37Š|
| 157 | N | 60.8 | Low | 57.3 | Low | 112 Ų | 112 | 159.5 Ų | 159.5 | 60% | 0.599 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -89.1 | -2.1 | -178.5 | -58.6 | -58.8 | 0 | 0 | 0 | 114.3 | D155 C159 | D155-N157 PolarHBondContact O-N 3.34Å; D155-N157 WeakPolarHBondContact OD1-CB 3.43Å; D155-N157 PolarHBondContact OD1-ND2 2.94Å; N157-C159 VanDerWaalsContact C-N 3.3Å; N157-C159 PolarHBondContact O-N 2.72Å |
| 158 | L | 57.6 | Low | 57.9 | Low | 143 Ų | 143 | 159.1 Ų | 159.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -76 | -12.6 | 177.8 | -170 | 54.5 | 0 | 0 | 0 | 114.2 | D155 Q160 | D155-L158 PolarHBondContact O-N 3.33Å; L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 3.39Å |
| 159 | C | 50.2 | Low | 58.5 | Low | 126 Ų | 126 | 153.6 Ų | 153.6 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -80.6 | 1.6 | -176.7 | -77.7 | 0 | 0 | 0 | 0 | 115.7 | N157 | N157-C159 VanDerWaalsContact C-N 3.3Å; N157-C159 PolarHBondContact O-N 2.72Å |
| 160 | Q | 60.3 | Low | 59 | Low | 146 Ų | 146 | 157.6 Ų | 157.6 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -98.8 | -6.4 | -171.9 | -71 | -170.3 | 63.5 | 0 | 0 | 116.1 | L158 | L158-Q160 VanDerWaalsContact C-N 3.32Å; L158-Q160 PolarHBondContact O-N 3.39Å |
| 161 | H | 49.8 | Very low | 58.9 | Low | 175 Ų | 175 | 156.8 Ų | 156.8 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -145.5 | 60.3 | -175.1 | -80.4 | -73.2 | 0 | 0 | 0 | 114.5 | | |
| 162 | L | 57.2 | Low | 58.6 | Low | 163 Ų | 163 | 157.5 Ų | 157.5 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -137.8 | 126.8 | 160.6 | -68.5 | 174.5 | 0 | 0 | 0 | 110.3 | | |
| 163 | G | 53.3 | Low | 58.1 | Low | 73 Ų | 73 | 158 Ų | 158 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -52.3 | 166 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 164 | K | 59.8 | Low | 57.7 | Low | 212 Ų | 212 | 156.2 Ų | 156.2 | 92% | 0.922 | 78% | 0.777 | S | S | * | * | | | | -149.8 | 142.6 | 60.9 | -63.7 | -173.8 | -178 | 174.6 | 0 | 112.3 | | |
| 165 | R | 57.7 | Low | 57.3 | Low | 217 Ų | 217 | 155.5 Ų | 155.5 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | | | trans | -61.8 | 135 | 175.6 | -62 | 161 | 53.6 | -168.8 | -5.3 | 111.7 | | |
| 166 | K | 62.5 | Low | 57.2 | Low | 212 Ų | 212 | 159.9 Ų | 159.9 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | | | trans | -141.5 | 121.6 | 142 | -167.8 | 172.3 | 177.7 | 179.3 | 0 | 108.8 | | |
| 167 | K | 62.4 | Low | 56.3 | Low | 164 Ų | 164 | 155.6 Ų | 155.6 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | -83.7 | 140 | -176.6 | -64.4 | -168.1 | 172.6 | -173.9 | 0 | 110.4 | | |
| 168 | M | 61.5 | Low | 56.2 | Low | 183 Ų | 183 | 153.4 Ų | 153.4 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | -135.4 | 113 | 151.2 | -100.7 | -74.5 | -79.5 | 0 | 0 | 106.9 | | |
| 169 | P | 58.6 | Low | 56.1 | Low | 91 Ų | 91 | 155.1 Ų | 155.1 | 59% | 0.591 | 80% | 0.797 | S | S | * | * | | | trans | -102.7 | 151.9 | -177.8 | 36.3 | -28.3 | 0 | 0 | 0 | 112.9 | | |
| 170 | K | 54.2 | Low | 56.5 | Low | 195 Ų | 195 | 156.4 Ų | 156.4 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | 70.9 | 120.9 | 146.3 | -93.5 | 92.9 | 176.3 | -169.9 | 0 | 119.7 | | |
| 171 | G | 50.9 | Low | 56 | Low | 83 Ų | 83 | 154.1 Ų | 154.1 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | -165 | 54.9 | 157 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 172 | L | 53 | Low | 56.1 | Low | 162 Ų | 162 | 151.5 Ų | 151.5 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | -78.6 | 118.5 | 169.6 | -93 | 133.7 | 0 | 0 | 0 | 109.7 | | |
| 173 | R | 53.7 | Low | 56.2 | Low | 224 Ų | 224 | 154 Ų | 154 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -157.6 | 143.9 | 147.2 | -62.9 | -168 | -176.9 | -92.2 | 0 | 108.4 | | |
| 174 | Q | 55 | Low | 56.3 | Low | 142 Ų | 142 | 156.8 Ų | 156.8 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | | | cis | -173 | 133.6 | -20.7 | -91 | -133.1 | 83.8 | 0 | 0 | 105.2 | | |
| 175 | L | 55.7 | Low | 56.7 | Low | 128 Ų | 128 | 152.7 Ų | 152.7 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | 51.2 | 133.1 | 141.2 | -45.4 | 176.7 | 0 | 0 | 0 | 119.2 | | |
| 176 | K | 59.6 | Low | 56.7 | Low | 185 Ų | 185 | 149.9 Ų | 149.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | | -165 | 149.5 | 50.3 | -74.7 | -82 | 179.2 | 163.8 | 0 | 111 | | |
| 177 | P | 49.5 | Very low | 56.5 | Low | 131 Ų | 131 | 145.3 Ų | 145.3 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | | | trans | -107.9 | 147.2 | 164.4 | 18.4 | 0.6 | 0 | 0 | 0 | 113.5 | | |
| 178 | G | 57.1 | Low | 56.2 | Low | 67 Ų | 67 | 145.1 Ų | 145.1 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | | | trans | 176.2 | 98.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 179 | Q | 56.3 | Low | 55.9 | Low | 179 Ų | 179 | 141.6 Ų | 141.6 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | | 71 | 116.5 | 93.3 | -74.5 | -173.6 | -36.3 | 0 | 0 | 115.1 | | |
| 180 | N | 58.2 | Low | 55.7 | Low | 152 Ų | 152 | 141.5 Ų | 141.5 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | 64.3 | 155.1 | 157.2 | 74.4 | 58.3 | 0 | 0 | 0 | 117.9 | | |
| 181 | S | 49.6 | Very low | 55.6 | Low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | cis | -169.9 | 134.3 | -29.6 | 49.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 182 | C | 51.5 | Low | 55.9 | Low | 121 Ų | 121 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 63.8 | 154.1 | 154.3 | -69 | 0 | 0 | 0 | 0 | 121.8 | | |
| 183 | R | 60.3 | Low | 55.8 | Low | 214 Ų | 214 | 138.9 Ų | 138.9 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | 97.4 | 91.7 | 170.9 | -54.6 | -66.8 | 173.8 | 177.9 | -0 | 113.7 | | |
| 184 | D | 56 | Low | 56.1 | Low | 133 Ų | 133 | 133.6 Ų | 133.6 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | | 66.3 | 112 | 85.9 | -76.1 | -42 | 0 | 0 | 0 | 112.2 | | |
| 185 | S | 66.9 | Low | 55.9 | Low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | 163 | 107.3 | 136.4 | -87 | 0 | 0 | 0 | 0 | 110.7 | | |
| 186 | D | 58.7 | Low | 55.7 | Low | 159 Ų | 159 | 133.8 Ų | 133.8 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -66.3 | 146 | 165.1 | -67.2 | -61.1 | 0 | 0 | 0 | 111.1 | | |
| 187 | S | 57.2 | Low | 55.3 | Low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -154.2 | 133.2 | 154.2 | -76.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 188 | E | 56.7 | Low | 55.7 | Low | 161 Ų | 161 | 136.7 Ų | 136.7 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -73.7 | 168.3 | -169.2 | 53.9 | -110.5 | 47 | 0 | 0 | 117.9 | | |
| 189 | S | 55.2 | Low | 55.5 | Low | 108 Ų | 108 | 144.8 Ų | 144.8 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | 94.9 | 115.2 | 140.4 | -64.6 | 0 | 0 | 0 | 0 | 122 | | |
| 190 | A | 54.8 | Low | 55.4 | Low | 89 Ų | 89 | 141.6 Ų | 141.6 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | | | | 94.8 | 124.9 | 116.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 191 | S | 52.6 | Low | 54.7 | Low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | 83.8 | 130.4 | 137.3 | 76.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 192 | G | 57 | Low | 54.9 | Low | 80 Ų | 80 | 141 Ų | 141 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | 167.7 | 52.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 193 | E | 50.6 | Low | 54.9 | Low | 182 Ų | 182 | 146.1 Ų | 146.1 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | | | trans | -74.7 | 140.7 | 167.7 | 52.9 | -176.1 | 94 | 0 | 0 | 111.4 | | |
| 194 | S | 60.4 | Low | 54.9 | Low | 112 Ų | 112 | 145.2 Ų | 145.2 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | | | | 162.9 | 120.5 | 129.2 | 50.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 195 | K | 50.8 | Low | 54.8 | Low | 196 Ų | 196 | 149.1 Ų | 149.1 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | | | trans | 23.1 | 129.2 | 138.3 | -69.4 | 168.7 | 176.7 | 167.7 | 0 | 121.5 | | |
| 196 | G | 50.7 | Low | 54.2 | Low | 78 Ų | 78 | 149.7 Ų | 149.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | -159.9 | 114.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 197 | F | 51.1 | Low | 54 | Low | 185 Ų | 185 | 147.6 Ų | 147.6 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | | | trans | -72 | 154.9 | -174 | -69.7 | -102.7 | 0 | 0 | 0 | 113.8 | | |
| 198 | Q | 57.4 | Low | 53.7 | Low | 193 Ų | 193 | 149.4 Ų | 149.4 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | | -174.6 | 127.1 | 123.7 | -80.7 | -133.1 | 4.1 | 0 | 0 | 111.1 | | |
| 199 | R | 54.4 | Low | 53.3 | Low | 237 Ų | 237 | 146.7 Ų | 146.7 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | | | trans | -105 | 137.3 | 174.1 | -65.7 | 171.1 | 72.3 | -161.9 | 3.8 | 109 | | |
| 200 | S | 52.6 | Low | 53.1 | Low | 112 Ų | 112 | 147.5 Ų | 147.5 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | | | trans | -170.7 | 103.9 | 154.9 | -73.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 201 | S | 44.8 | Very low | 53.2 | Low | 122 Ų | 122 | 147.8 Ų | 147.8 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | | | | 54.5 | 107.2 | 89 | -178.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 202 | S | 52.5 | Low | 53.5 | Low | 114 Ų | 114 | 148.1 Ų | 148.1 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | | | | -156.3 | 155.3 | 82.5 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 203 | R | 53.3 | Low | 53.3 | Low | 230 Ų | 230 | 150.6 Ų | 150.6 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | | | trans | -61.8 | 154.1 | 171.9 | -64.4 | 161.6 | 159.7 | -166.5 | -6 | 110 | | |
| 204 | E | 58.4 | Low | 53.5 | Low | 195 Ų | 195 | 146.8 Ų | 146.8 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | | | | -174.2 | 163.2 | 77.9 | -81.9 | 176.3 | 165.3 | 0 | 0 | 111.8 | | |
| 205 | R | 55.1 | Low | 53.2 | Low | 214 Ų | 214 | 149.4 Ų | 149.4 | 81% | 0.808 | 83% | 0.828 | S | S | * | * | | | trans | -111.8 | 140.6 | -162.6 | -98.1 | -175.1 | 79.8 | 179.7 | 5.4 | 111.3 | | |
| 206 | L | 54 | Low | 53.4 | Low | 138 Ų | 138 | 143.8 Ų | 143.8 | 72% | 0.723 | 83% | 0.825 | S | S | * | * | | | trans | 81.8 | 154.2 | 146.2 | -57.2 | 163.6 | 0 | 0 | 0 | 119.7 | | |
| 207 | S | 55 | Low | 53.7 | Low | 115 Ų | 115 | 146.6 Ų | 146.6 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | trans | 96.6 | 131.9 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 208 | D | 51 | Low | 54.2 | Low | 152 Ų | 152 | 140.8 Ų | 140.8 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | | | cis | -161.6 | 167.4 | 14.8 | -141.6 | -23.9 | 0 | 0 | 0 | 112.7 | | |
| 209 | S | 47.2 | Very low | 54.8 | Low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -88.1 | 161.2 | -170.4 | -54.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 210 | S | 51.6 | Low | 54.9 | Low | 125 Ų | 125 | 140.1 Ų | 140.1 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | 175.8 | 136.4 | 142 | 28.8 | 0 | 0 | 0 | 0 | 110 | | |
| 211 | A | 56.8 | Low | 55.5 | Low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | | | cis | -167.8 | 156.2 | -5.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 212 | P | 59.2 | Low | 56.2 | Low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | -117.9 | 135.4 | 155.6 | 33.7 | -23.3 | 0 | 0 | 0 | 112.5 | | |
| 213 | S | 52.8 | Low | 56.7 | Low | 131 Ų | 131 | 142.5 Ų | 142.5 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | | | trans | -53.2 | 148.4 | -177.9 | -70.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 214 | S | 54.2 | Low | 56.8 | Low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | trans | -74.4 | 169.6 | 178.6 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 215 | L | 55.2 | Low | 56.9 | Low | 167 Ų | 167 | 135.4 Ų | 135.4 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | 103.2 | 61.9 | 165.7 | -54 | 163.9 | 0 | 0 | 0 | 115.7 | | |
| 216 | G | 53.8 | Low | 57.2 | Low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -118.9 | 93.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 217 | T | 56.7 | Low | 57.4 | Low | 137 Ų | 137 | 133.3 Ų | 133.3 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | | | trans | -130.3 | 88.8 | 166.2 | 51.4 | 0 | 0 | 0 | 0 | 108 | | |
| 218 | G | 63.4 | Low | 57.7 | Low | 63 Ų | 63 | 135.5 Ų | 135.5 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | | | trans | -106.6 | 137.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 219 | Y | 68.1 | Low | 58.1 | Low | 231 Ų | 231 | 137.6 Ų | 137.6 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | | | trans | -58.4 | 147 | -170 | -61.2 | -96.6 | 0 | 0 | 0 | 114.8 | | |
| 220 | F | 57 | Low | 58.6 | Low | 185 Ų | 185 | 141.2 Ų | 141.2 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | | | trans | -96.5 | 123.6 | 165.6 | -67 | -92 | 0 | 0 | 0 | 108.5 | | |
| 221 | C | 65.9 | Low | 58.4 | Low | 132 Ų | 132 | 141.9 Ų | 141.9 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | | | trans | -108.5 | 107.2 | 161.8 | -81.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 222 | D | 59.3 | Low | 58.2 | Low | 155 Ų | 155 | 147.4 Ų | 147.4 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | | | trans | -70.5 | 132.8 | 161.6 | -107 | -33.2 | 0 | 0 | 0 | 108.8 | | |
| 223 | S | 63 | Low | 57.5 | Low | 111 Ų | 111 | 152.8 Ų | 152.8 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | | | | 159.4 | 91 | 127.7 | -69.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 224 | D | 54.6 | Low | 57.5 | Low | 152 Ų | 152 | 154.4 Ų | 154.4 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | | | trans | -57.7 | 129.4 | 148.2 | -93.6 | -92.5 | 0 | 0 | 0 | 108.9 | | |
| 225 | S | 61.9 | Low | 57.8 | Low | 124 Ų | 124 | 154.6 Ų | 154.6 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -144.4 | 89.2 | 156 | -81.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 226 | D | 61.1 | Low | 57.8 | Low | 141 Ų | 141 | 154.6 Ų | 154.6 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | trans | -105.8 | 93.6 | 179.5 | -170.4 | 8.9 | 0 | 0 | 0 | 106.8 | | |
| 227 | Q | 57.5 | Low | 57.7 | Low | 167 Ų | 167 | 158.7 Ų | 158.7 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | | | trans | -147 | 116.3 | 160.7 | -62.5 | -167 | 7.2 | 0 | 0 | 110.3 | | |
| 228 | E | 62.2 | Low | 57.5 | Low | 162 Ų | 162 | 157.2 Ų | 157.2 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | | | trans | 70.4 | 115.1 | 141.8 | 73.1 | -164.2 | 88.9 | 0 | 0 | 122.2 | K230 | E228-K230 PolarHBondContact O-N 3.11Å; E228-K230 VanDerWaalsContact O-N 3.15Å |
| 229 | E | 58.4 | Low | 56.7 | Low | 196 Ų | 196 | 163.6 Ų | 163.6 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | trans | -40.5 | 103 | 154.1 | -177.3 | -170.1 | 145 | 0 | 0 | 113.2 | | |
| 230 | K | 57.1 | Low | 56 | Low | 179 Ų | 179 | 161 Ų | 161 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | | | trans | -154.9 | 112.8 | 146.4 | -144.6 | 161.6 | -173.2 | 166.1 | 0 | 112.5 | E228 R232 | E228-K230 PolarHBondContact O-N 3.11Å; E228-K230 VanDerWaalsContact O-N 3.15Å; K230-R232 PolarHBondContact O-N 3.48Å |
| 231 | V | 48.1 | Very low | 55.6 | Low | 140 Ų | 140 | 157.9 Ų | 157.9 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -41.7 | 96.2 | 163.9 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 232 | R | 53.8 | Low | 54.9 | Low | 212 Ų | 212 | 157.5 Ų | 157.5 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | -148.8 | 112.7 | 153.8 | -68.9 | -162.7 | 175.2 | 167.8 | -2.1 | 110 | K230 H234 | K230-R232 PolarHBondContact O-N 3.48Å; R232-H234 PolarHBondContact O-N 2.99Å |
| 233 | R | 43.7 | Very low | 54.3 | Low | 244 Ų | 244 | 158.7 Ų | 158.7 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | | | trans | -58.2 | 115.6 | 169.4 | -56.2 | -164.8 | -169 | -177.9 | 4.9 | 109.1 | | |
| 234 | H | 51.8 | Low | 53.5 | Low | 165 Ų | 165 | 156.1 Ų | 156.1 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | | | trans | -143.7 | 114.5 | 159.2 | -93.7 | -83.1 | 0 | 0 | 0 | 108 | R232 L236 | R232-H234 PolarHBondContact O-N 2.99Å; H234-L236 PolarHBondContact O-N 3.15Å |
| 235 | P | 62.1 | Low | 53.5 | Low | 106 Ų | 106 | 154.9 Ų | 154.9 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | | | trans | -62.9 | 122.9 | 168.1 | 26.1 | -29 | 0 | 0 | 0 | 107 | H237 | P235-H237 PolarHBondContact O-N 3.02Š|
| 236 | L | 53.7 | Low | 53.3 | Low | 167 Ų | 167 | 151.9 Ų | 151.9 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -60 | 92.1 | 169.5 | -70.8 | 171 | 0 | 0 | 0 | 107.8 | H234 C238 | H234-L236 PolarHBondContact O-N 3.15Å; L236-C238 PolarHBondContact O-N 2.85Å |
| 237 | H | 51.8 | Low | 53.6 | Low | 163 Ų | 163 | 150.7 Ų | 150.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -67.6 | 86.7 | 162.1 | -98.4 | -129.1 | 0 | 0 | 0 | 107 | P235 K239 | P235-H237 PolarHBondContact O-N 3.02Å; H237-K239 VanDerWaalsContact C-N 3.26Å; H237-K239 PolarHBondContact O-N 3.21Å |
| 238 | C | 52.5 | Low | 54.3 | Low | 106 Ų | 106 | 148.1 Ų | 148.1 | 72% | 0.716 | 78% | 0.779 | S | S | * | * | | | trans | -60.2 | 99.1 | 154.1 | -76.4 | 0 | 0 | 0 | 0 | 106.6 | L236 H240 | L236-C238 PolarHBondContact O-N 2.85Å; C238-H240 PolarHBondContact O-N 2.71Å |
| 239 | K | 48.2 | Very low | 55.2 | Low | 198 Ų | 198 | 144.3 Ų | 144.3 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | | | trans | -66.4 | 76.3 | 167.3 | -69.3 | -166.8 | 175.7 | -175.8 | 0 | 108.4 | H237 | H237-K239 VanDerWaalsContact C-N 3.26Å; H237-K239 PolarHBondContact O-N 3.21Å |
| 240 | H | 53.2 | Low | 56.5 | Low | 177 Ų | 177 | 136.6 Ų | 136.6 | 82% | 0.819 | 73% | 0.733 | S | S | * | * | | | trans | -78.4 | 122.2 | 163.3 | -108.1 | 76.5 | 0 | 0 | 0 | 108 | C238 | C238-H240 PolarHBondContact O-N 2.71Š|
| 241 | N | 47.4 | Very low | 58 | Low | 118 Ų | 118 | 131.8 Ų | 131.8 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | | | trans | -41.5 | 125.4 | 175.5 | -178.5 | -0.5 | 0 | 0 | 0 | 112.2 | Q243 | N241-Q243 PolarHBondContact O-N 3.24Å; N241-Q243 VanDerWaalsContact O-N 3.13Å; N241-Q243 PolarHBondContact OD1-N 3.25Å |
| 242 | P | 52.3 | Low | 59.9 | Low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 11.6 | -175 | 33.7 | -35 | 0 | 0 | 0 | 114 | | |
| 243 | Q | 46.8 | Very low | 61.7 | Low | 179 Ų | 179 | 122.5 Ų | 122.5 | 84% | 0.836 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 26.2 | -177.1 | -66.2 | -169.6 | 44.5 | 0 | 0 | 114.7 | N241 | N241-Q243 PolarHBondContact O-N 3.24Å; N241-Q243 VanDerWaalsContact O-N 3.13Å; N241-Q243 PolarHBondContact OD1-N 3.25Å |
| 244 | G | 45.4 | Very low | 63.9 | Low | 57 Ų | 57 | 113.6 Ų | 113.6 | 59% | 0.588 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -109.5 | 130.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | G246 | G244-G246 PolarHBondContact O-N 2.83Š|
| 245 | S | 53.9 | Low | 65.6 | Low | 126 Ų | 126 | 110.2 Ų | 110.2 | 88% | 0.881 | 65% | 0.647 | S | S | * | * | | | trans | -64.8 | 74.3 | 168.4 | 60.2 | 0 | 0 | 0 | 0 | 109.3 | C247 | S245-C247 PolarHBondContact O-N 2.86Š|
| 246 | G | 58.4 | Low | 66.7 | Low | 62 Ų | 62 | 107.4 Ų | 107.4 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | | | trans | -73.3 | 111.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | G244 T248 | G244-G246 PolarHBondContact O-N 2.83Å; G246-T248 PolarHBondContact O-N 3.17Å |
| 247 | C | 66.9 | Low | 67.9 | Low | 116 Ų | 116 | 105.4 Ų | 105.4 | 78% | 0.784 | 62% | 0.624 | S | S | * | * | | | trans | -63.7 | 104.3 | 164.7 | -60.6 | 0 | 0 | 0 | 0 | 107.4 | S245 V249 | S245-C247 PolarHBondContact O-N 2.86Å; C247-V249 PolarHBondContact O-N 3Å |
| 248 | T | 72.2 | Confident | 68.6 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 69% | 0.693 | 64% | 0.642 | S | S | * | * | | | trans | -72.8 | 116.2 | 169.6 | 45.7 | 0 | 0 | 0 | 0 | 107.7 | G246 | G246-T248 PolarHBondContact O-N 3.17Š|
| 249 | V | 82.3 | Confident | 69.4 | Low | 82 Ų | 82 | 107.9 Ų | 107.9 | 50% | 0.497 | 64% | 0.638 | S | S | . | * | | | trans | -105.3 | 127.4 | 172 | -178.9 | 0 | 0 | 0 | 0 | 107 | F96 C247 | F96-V249 CarbonylContact O-C 3.51Å; F96-V249 WeakPolarHBondContact O-CA 3.4Å; C247-V249 PolarHBondContact O-N 3Å |
| 250 | T | 84.8 | Confident | 70.6 | Confident | 34 Ų | 34 | 103.2 Ų | 103.2 | 21% | 0.209 | 63% | 0.626 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.5 | 175.9 | 53.7 | 0 | 0 | 0 | 0 | 108.8 | S95 F96 | S95-T250 CarbonylContact C-O 3.49Å; S95-T250 WeakPolarHBondContact CA-O 3.46Å; F96-T250 WeakPolarHBondContact CB-OG1 3.29Å; F96-T250 PolarHBondContact N-O 3.25Å; F96-T250 PolarHBondContact O-N 2.82Å; F96-T250 PolarHBondContact O-OG1 3.43Å |
| 251 | C | 88.8 | Confident | 71.5 | Confident | 77 Ų | 77 | 99.1 Ų | 99.1 | 52% | 0.52 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.7 | -178.2 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | T94 | T94-C251 CarbonylContact O-C 3.52Å; T94-C251 WeakPolarHBondContact O-CA 3.4Å |
| 252 | L | 88.9 | Confident | 73 | Confident | 55 Ų | 55 | 97.9 Ų | 97.9 | 29% | 0.288 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.2 | 173.6 | -176.3 | 64.9 | 0 | 0 | 0 | 109.4 | M93 T94 F96 L102 V106 V254 | M93-L252 CarbonylContact C-O 3.56Å; M93-L252 WeakPolarHBondContact CA-O 3.12Å; T94-L252 PolarHBondContact N-O 2.86Å; T94-L252 PolarHBondContact O-N 3.35Å; F96-L252 HydrophobicContact CE2-CB 4.4Å; L102-L252 HydrophobicContact CD1-CB 3.8Å; L102-L252 HydrophobicContact CD1-CD2 4.34Å; L102-L252 HydrophobicContact CD1-CG 4.47Å; V106-L252 HydrophobicContact CG2-CD2 3.93Å; L252-V254 HydrophobicContact CD2-CG2 4.27Å; L252-V254 HydrophobicContact CG-CG2 4.12Å |
| 253 | L | 90.9 | Very high | 74.2 | Confident | 103 Ų | 103 | 96.3 Ų | 96.3 | 54% | 0.539 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.3 | 178.4 | -165.9 | 67.7 | 0 | 0 | 0 | 110.1 | F91 A92 M93 | F91-L253 HydrophobicContact CB-CD1 3.5Å; F91-L253 HydrophobicContact CB-CD2 4.35Å; F91-L253 HydrophobicContact CB-CG 3.86Å; F91-L253 HydrophobicContact CD1-CD2 4.2Å; F91-L253 HydrophobicContact CD1-CG 4.06Å; F91-L253 HydrophobicContact CG-CD1 4.32Å; F91-L253 HydrophobicContact CG-CD2 4.3Å; F91-L253 HydrophobicContact CG-CG 4.21Å; A92-L253 CarbonylContact O-C 3.55Å; A92-L253 WeakPolarHBondContact O-CA 3.38Å; M93-L253 HydrophobicContact CB-CD1 3.76Å; M93-L253 HydrophobicContact CG-CD1 4.33Å |
| 254 | V | 89.6 | Confident | 76.1 | Confident | 56 Ų | 56 | 90.7 Ų | 90.7 | 34% | 0.339 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.8 | -177.3 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | F91 A92 L252 | F91-V254 CarbonylContact C-O 3.49Å; F91-V254 VanDerWaalsContact CA-O 3.3Å; F91-V254 WeakPolarHBondContact CA-O 3.4Å; A92-V254 PolarHBondContact N-O 3.49Å; A92-V254 PolarHBondContact O-N 3.24Å; L252-V254 HydrophobicContact CD2-CG2 4.27Å; L252-V254 HydrophobicContact CG-CG2 4.12Å |
| 255 | P | 88.3 | Confident | 78.3 | Confident | 94 Ų | 94 | 93.1 Ų | 93.1 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.7 | 134.3 | 174.3 | 27.4 | -32.9 | 0 | 0 | 0 | 110.8 | F91 | F91-P255 HydrophobicContact CD1-CB 4.08Å; F91-P255 HydrophobicContact CE1-CB 3.97Å |
| 256 | V | 84.6 | Confident | 80.1 | Confident | 48 Ų | 48 | 90.6 Ų | 90.6 | 29% | 0.291 | 56% | 0.564 | S | S | . | * | | | trans | -108.2 | 121.2 | 178 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | G90 A92 L258 | G90-V256 PolarHBondContact O-N 3.27Å; A92-V256 HydrophobicContact CB-CG2 3.67Å; V256-L258 PolarHBondContact O-N 3.3Å |
| 257 | P | 78.6 | Confident | 82 | Confident | 124 Ų | 124 | 93 Ų | 93 | 81% | 0.805 | 56% | 0.558 | S | S | * | * | | | trans | -67.2 | 122.2 | 168.6 | 28.2 | -30.9 | 0 | 0 | 0 | 108.9 | | |
| 258 | L | 67.7 | Low | 83.3 | Confident | 214 Ų | 214 | 90.9 Ų | 90.9 | 100% | 1.12 | 54% | 0.538 | S | S | * | . | | | trans | -88.4 | 0 | 170.6 | -69.7 | 175.6 | 0 | 0 | 0 | 111.2 | V256 | V256-L258 PolarHBondContact O-N 3.3Š|