| 1 | M | 50.3 | Low | 62.6 | Low | 234 Ų | 234 | 123.5 Ų | 123.5 | 100% | 1.153 | 68% | 0.682 | S | S | * | * | | | | 0 | 97.3 | 0 | -61.6 | -67.6 | -117.1 | 0 | 0 | 106.1 | E3 | M1-E3 PolarHBondContact O-N 3.49Š|
| 2 | S | 44.5 | Very low | 63.3 | Low | 124 Ų | 124 | 121.5 Ų | 121.5 | 87% | 0.867 | 67% | 0.669 | S | S | * | * | | | trans | -81.1 | 108.9 | -178.7 | -62.1 | 0 | 0 | 0 | 0 | 108.9 | K4 | S2-K4 PolarHBondContact O-N 3.42Å; S2-K4 VanDerWaalsContact O-N 3.15Å |
| 3 | E | 57.9 | Low | 64.2 | Low | 178 Ų | 178 | 119.7 Ų | 119.7 | 83% | 0.832 | 65% | 0.653 | S | S | * | * | | | trans | -68.4 | 105.9 | 170.5 | -70 | 178.1 | 149.7 | 0 | 0 | 108.3 | M1 L5 | M1-E3 PolarHBondContact O-N 3.49Å; E3-L5 PolarHBondContact O-N 3.05Å; E3-L5 VanDerWaalsContact O-N 3.12Å |
| 4 | K | 60.6 | Low | 64.7 | Low | 205 Ų | 205 | 116.9 Ų | 116.9 | 89% | 0.891 | 64% | 0.636 | S | S | * | * | | | trans | -72.1 | 97.5 | 165 | -79.8 | -172.9 | 174.4 | -172.3 | 0 | 106.8 | S2 G6 | S2-K4 PolarHBondContact O-N 3.42Å; S2-K4 VanDerWaalsContact O-N 3.15Å; K4-G6 PolarHBondContact O-N 2.82Å |
| 5 | L | 57.5 | Low | 64.8 | Low | 148 Ų | 148 | 115.7 Ų | 115.7 | 78% | 0.775 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 120.4 | 169 | -65.2 | 169.6 | 0 | 0 | 0 | 107.6 | E3 | E3-L5 PolarHBondContact O-N 3.05Å; E3-L5 VanDerWaalsContact O-N 3.12Å |
| 6 | G | 65.9 | Low | 65.7 | Low | 40 Ų | 40 | 119.3 Ų | 119.3 | 41% | 0.412 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 166.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K4 | K4-G6 PolarHBondContact O-N 2.82Š|
| 7 | T | 67.1 | Low | 66.2 | Low | 80 Ų | 80 | 122.8 Ų | 122.8 | 49% | 0.491 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 154.2 | 175.2 | 59.5 | 0 | 0 | 0 | 0 | 109.8 | A9 D10 E11 | T7-A9 PolarHBondContact O-N 3.3Å; T7-D10 PolarHBondContact N-OD2 3.26Å; T7-D10 WeakPolarHBondContact O-CB 3.33Å; T7-D10 PolarHBondContact O-N 3.27Å; T7-D10 PolarHBondContact OG1-OD2 3.21Å; T7-E11 PolarHBondContact O-N 2.82Å |
| 8 | P | 69.1 | Low | 66.2 | Low | 101 Ų | 101 | 119.5 Ų | 119.5 | 66% | 0.656 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -54.9 | -22.2 | 177.6 | -26.7 | 34.1 | 0 | 0 | 0 | 114.1 | L12 | P8-L12 PolarHBondContact O-N 3.42Å |
| 9 | A | 73.8 | Confident | 66.2 | Low | 60 Ų | 60 | 116.9 Ų | 116.9 | 50% | 0.496 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.1 | -36.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T7 L12 E13 | T7-A9 PolarHBondContact O-N 3.3Å; A9-L12 WeakPolarHBondContact O-CB 3.48Å; A9-L12 PolarHBondContact O-N 2.91Å; A9-E13 PolarHBondContact O-N 2.93Å |
| 10 | D | 71.9 | Confident | 66 | Low | 79 Ų | 79 | 116.4 Ų | 116.4 | 42% | 0.422 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.1 | -38.3 | 178.3 | -58.8 | -46.7 | 0 | 0 | 0 | 110.8 | T7 L12 E13 L14 | T7-D10 PolarHBondContact N-OD2 3.26Å; T7-D10 WeakPolarHBondContact O-CB 3.33Å; T7-D10 PolarHBondContact O-N 3.27Å; T7-D10 PolarHBondContact OG1-OD2 3.21Å; D10-L12 VanDerWaalsContact C-N 3.34Å; D10-E13 PolarHBondContact O-N 3.15Å; D10-L14 VanDerWaalsContact O-CG 3.3Å; D10-L14 WeakPolarHBondContact O-CG 3.45Å; D10-L14 PolarHBondContact O-N 3.4Å |
| 11 | E | 70.1 | Confident | 65.8 | Low | 109 Ų | 109 | 115.7 Ų | 115.7 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64 | -39 | 173.5 | -64.7 | -178.9 | -174.4 | 0 | 0 | 111.8 | T7 L14 L15 | T7-E11 PolarHBondContact O-N 2.82Å; E11-L14 PolarHBondContact O-N 3.17Å; E11-L15 PolarHBondContact O-N 3.03Å |
| 12 | L | 70.5 | Confident | 66.4 | Low | 100 Ų | 100 | 113.1 Ų | 113.1 | 52% | 0.524 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.2 | -38.9 | 174.3 | -99.2 | 157.3 | 0 | 0 | 0 | 112.5 | P8 A9 D10 L15 K16 | P8-L12 PolarHBondContact O-N 3.42Å; A9-L12 WeakPolarHBondContact O-CB 3.48Å; A9-L12 PolarHBondContact O-N 2.91Å; D10-L12 VanDerWaalsContact C-N 3.34Å; L12-L15 WeakPolarHBondContact O-CB 3.23Å; L12-L15 PolarHBondContact O-N 3.24Å; L12-K16 VanDerWaalsContact O-CG 3.32Å; L12-K16 WeakPolarHBondContact O-CG 3.32Å; L12-K16 PolarHBondContact O-N 2.71Å |
| 13 | E | 76.1 | Confident | 67 | Low | 98 Ų | 98 | 115 Ų | 115 | 46% | 0.458 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.5 | -40.5 | 172.4 | -78.6 | -153.8 | -174.7 | 0 | 0 | 112.3 | A9 D10 L15 K16 R17 | A9-E13 PolarHBondContact O-N 2.93Å; D10-E13 PolarHBondContact O-N 3.15Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.08Å; E13-K16 PolarHBondContact O-N 2.99Å; E13-R17 WeakPolarHBondContact O-CB 3.45Å; E13-R17 VanDerWaalsContact O-CG 3.23Å; E13-R17 WeakPolarHBondContact O-CG 3.23Å; E13-R17 PolarHBondContact O-N 3.21Å; E13-R17 IonicContact OE2-CZ 3.6Å; E13-R17 IonicContact OE2-NE 3.61Å; E13-R17 IonicContact OE2-NH2 3.66Å; E13-R17 PolarHBondContact OE2-NH2 2.72Å |
| 14 | L | 70 | Confident | 66.8 | Low | 81 Ų | 81 | 109.8 Ų | 109.8 | 42% | 0.424 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.4 | -39.9 | 174.3 | -70.6 | 168.9 | 0 | 0 | 0 | 111.3 | D10 E11 R17 G18 S19 | D10-L14 VanDerWaalsContact O-CG 3.3Å; D10-L14 WeakPolarHBondContact O-CG 3.45Å; D10-L14 PolarHBondContact O-N 3.4Å; E11-L14 PolarHBondContact O-N 3.17Å; L14-R17 PolarHBondContact O-N 3.44Å; L14-G18 PolarHBondContact O-N 2.81Å; L14-G18 VanDerWaalsContact O-N 3.16Å; L14-S19 PolarHBondContact O-N 3.49Å |
| 15 | L | 67.5 | Low | 66.5 | Low | 99 Ų | 99 | 109 Ų | 109 | 52% | 0.518 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59 | -48.2 | 172.3 | -123.3 | 85 | 0 | 0 | 0 | 111.3 | E11 L12 E13 R17 G18 I20 | E11-L15 PolarHBondContact O-N 3.03Å; L12-L15 WeakPolarHBondContact O-CB 3.23Å; L12-L15 PolarHBondContact O-N 3.24Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.08Å; L15-R17 VanDerWaalsContact C-N 3.34Å; L15-R17 PolarHBondContact O-N 2.77Å; L15-G18 PolarHBondContact O-N 3.23Å; L15-G18 VanDerWaalsContact O-N 3.12Å; L15-I20 HydrophobicContact CD1-CB 4.47Å; L15-I20 HydrophobicContact CD1-CD1 3.95Å; L15-I20 HydrophobicContact CD1-CG1 4.29Å; L15-I20 HydrophobicContact CD1-CG2 3.47Å; L15-I20 VanDerWaalsContact CD1-CG2 3.47Å; L15-I20 HydrophobicContact CG-CD1 4.03Å; L15-I20 HydrophobicContact CG-CG1 4.47Å; L15-I20 HydrophobicContact CG-CG2 4.47Å |
| 16 | K | 78.4 | Confident | 66.6 | Low | 173 Ų | 173 | 106.7 Ų | 106.7 | 75% | 0.752 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.9 | -36.6 | 179 | -74.8 | 175.1 | -179.2 | 179.7 | 0 | 112.7 | L12 E13 G18 | L12-K16 VanDerWaalsContact O-CG 3.32Å; L12-K16 WeakPolarHBondContact O-CG 3.32Å; L12-K16 PolarHBondContact O-N 2.71Å; E13-K16 PolarHBondContact O-N 2.99Å; K16-G18 PolarHBondContact O-N 2.64Å |
| 17 | R | 73.7 | Confident | 66.3 | Low | 179 Ų | 179 | 110.8 Ų | 110.8 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -0 | 176.3 | -67.8 | 175 | -168.6 | -144 | 8.5 | 112.8 | E13 L14 L15 S19 | E13-R17 WeakPolarHBondContact O-CB 3.45Å; E13-R17 VanDerWaalsContact O-CG 3.23Å; E13-R17 WeakPolarHBondContact O-CG 3.23Å; E13-R17 PolarHBondContact O-N 3.21Å; E13-R17 IonicContact OE2-CZ 3.6Å; E13-R17 IonicContact OE2-NE 3.61Å; E13-R17 IonicContact OE2-NH2 3.66Å; E13-R17 PolarHBondContact OE2-NH2 2.72Å; L14-R17 PolarHBondContact O-N 3.44Å; L15-R17 VanDerWaalsContact C-N 3.34Å; L15-R17 PolarHBondContact O-N 2.77Å; R17-S19 PolarHBondContact O-N 3.28Å; R17-S19 PolarHBondContact O-OG 3.1Å |
| 18 | G | 67 | Low | 65.8 | Low | 63 Ų | 63 | 110.6 Ų | 110.6 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.1 | 21.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L14 L15 K16 I20 | L14-G18 PolarHBondContact O-N 2.81Å; L14-G18 VanDerWaalsContact O-N 3.16Å; L15-G18 PolarHBondContact O-N 3.23Å; L15-G18 VanDerWaalsContact O-N 3.12Å; K16-G18 PolarHBondContact O-N 2.64Å; G18-I20 VanDerWaalsContact C-N 3.33Å |
| 19 | S | 66.1 | Low | 65.2 | Low | 70 Ų | 70 | 110.3 Ų | 110.3 | 49% | 0.49 | 61% | 0.606 | S | S | . | * | | | trans | -96.5 | 18.2 | -175.9 | -58.2 | 0 | 0 | 0 | 0 | 112.5 | L14 R17 D21 | L14-S19 PolarHBondContact O-N 3.49Å; R17-S19 PolarHBondContact O-N 3.28Å; R17-S19 PolarHBondContact O-OG 3.1Å; S19-D21 PolarHBondContact O-N 3.38Å |
| 20 | I | 63 | Low | 64 | Low | 106 Ų | 106 | 116.8 Ų | 116.8 | 54% | 0.544 | 63% | 0.626 | S | S | . | * | | | trans | -72.3 | 119.4 | 167.2 | 24.6 | 166.1 | 0 | 0 | 0 | 109.3 | L15 G18 | L15-I20 HydrophobicContact CD1-CB 4.47Å; L15-I20 HydrophobicContact CD1-CD1 3.95Å; L15-I20 HydrophobicContact CD1-CG1 4.29Å; L15-I20 HydrophobicContact CD1-CG2 3.47Å; L15-I20 VanDerWaalsContact CD1-CG2 3.47Å; L15-I20 HydrophobicContact CG-CD1 4.03Å; L15-I20 HydrophobicContact CG-CG1 4.47Å; L15-I20 HydrophobicContact CG-CG2 4.47Å; G18-I20 VanDerWaalsContact C-N 3.33Å |
| 21 | D | 60.5 | Low | 63.2 | Low | 103 Ų | 103 | 115.8 Ų | 115.8 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | | | trans | -56.4 | 138.7 | 170.8 | -158.8 | -10.9 | 0 | 0 | 0 | 110.1 | S19 H23 | S19-D21 PolarHBondContact O-N 3.38Å; D21-H23 PolarHBondContact O-N 3Å; D21-H23 IonicContact OD1-CD2 3.86Å; D21-H23 PolarHBondContact OD1-CD2 2.95Å; D21-H23 IonicContact OD1-CG 2.84Å; D21-H23 IonicContact OD1-NE2 3.33Å; D21-H23 IonicContact OD2-CD2 2.94Å; D21-H23 PolarHBondContact OD2-CD2 3.47Å; D21-H23 IonicContact OD2-NE2 3.52Å |
| 22 | K | 64 | Low | 62.4 | Low | 180 Ų | 180 | 119.5 Ų | 119.5 | 78% | 0.783 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -69.6 | 6.8 | -175.5 | 41.3 | -167.1 | 162.6 | -174.1 | 0 | 113 | G24 R25 | K22-G24 PolarHBondContact O-N 3.3Å; K22-R25 PolarHBondContact O-N 2.69Å |
| 23 | H | 56.2 | Low | 61.3 | Low | 164 Ų | 164 | 124.6 Ų | 124.6 | 76% | 0.759 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -77.3 | -0.2 | -179.8 | -66.7 | -43.8 | 0 | 0 | 0 | 114.9 | D21 | D21-H23 PolarHBondContact O-N 3Å; D21-H23 IonicContact OD1-CD2 3.86Å; D21-H23 PolarHBondContact OD1-CD2 2.95Å; D21-H23 IonicContact OD1-CG 2.84Å; D21-H23 IonicContact OD1-NE2 3.33Å; D21-H23 IonicContact OD2-CD2 2.94Å; D21-H23 PolarHBondContact OD2-CD2 3.47Å; D21-H23 IonicContact OD2-NE2 3.52Å |
| 24 | G | 54.6 | Low | 60.2 | Low | 67 Ų | 67 | 123.5 Ų | 123.5 | 69% | 0.691 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -111.1 | 3.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K22 P26 | K22-G24 PolarHBondContact O-N 3.3Å; G24-P26 VanDerWaalsContact O-CD 3.23Å; G24-P26 WeakPolarHBondContact O-CD 3.36Å |
| 25 | R | 53.6 | Low | 59.3 | Low | 189 Ų | 189 | 126 Ų | 126 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | | | trans | -72.9 | 115.6 | 179.7 | -161.2 | 177.2 | -172.3 | -160 | -0.2 | 108.1 | K22 | K22-R25 PolarHBondContact O-N 2.69Š|
| 26 | P | 60 | Low | 58.3 | Low | 100 Ų | 100 | 127.1 Ų | 127.1 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 144.8 | 167.3 | 24 | -31.5 | 0 | 0 | 0 | 107.9 | G24 S28 | G24-P26 VanDerWaalsContact O-CD 3.23Å; G24-P26 WeakPolarHBondContact O-CD 3.36Å; P26-S28 PolarHBondContact O-N 3.43Å |
| 27 | P | 59.8 | Low | 56.9 | Low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 120 | 178.5 | 21.4 | -31.6 | 0 | 0 | 0 | 107.3 | A29 | P27-A29 PolarHBondContact O-N 2.98Š|
| 28 | S | 55.9 | Low | 55.6 | Low | 77 Ų | 77 | 125 Ų | 125 | 54% | 0.538 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -49.8 | 118.9 | 172 | -156.9 | 0 | 0 | 0 | 0 | 104.9 | P26 E30 | P26-S28 PolarHBondContact O-N 3.43Å; S28-E30 PolarHBondContact O-N 3.47Å |
| 29 | A | 56.5 | Low | 55 | Low | 94 Ų | 94 | 131.3 Ų | 131.3 | 78% | 0.777 | 72% | 0.72 | S | S | * | * | | | trans | -61.3 | 94.2 | 172 | 0 | 0 | 0 | 0 | 0 | 106 | P27 G31 | P27-A29 PolarHBondContact O-N 2.98Å; A29-G31 PolarHBondContact O-N 2.83Å; A29-G31 VanDerWaalsContact O-N 3.1Å |
| 30 | E | 48.8 | Very low | 54.2 | Low | 196 Ų | 196 | 134.3 Ų | 134.3 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | | | trans | -57.4 | 108.9 | 156.3 | -57.8 | -150.5 | 130.7 | 0 | 0 | 104.6 | S28 | S28-E30 PolarHBondContact O-N 3.47Š|
| 31 | G | 54.1 | Low | 53.7 | Low | 59 Ų | 59 | 134.9 Ų | 134.9 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | | | trans | -173.1 | 59.1 | -166 | 0 | 0 | 0 | 0 | 0 | 111.1 | A29 | A29-G31 PolarHBondContact O-N 2.83Å; A29-G31 VanDerWaalsContact O-N 3.1Å |
| 32 | E | 53.1 | Low | 53.3 | Low | 186 Ų | 186 | 137.6 Ų | 137.6 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | | | trans | 61.6 | 87.6 | 147.5 | -52.3 | -175.4 | 125.4 | 0 | 0 | 116.8 | S34 | E32-S34 PolarHBondContact O-N 3.37Å; E32-S34 VanDerWaalsContact O-N 3.08Å |
| 33 | Q | 49 | Very low | 52.4 | Low | 208 Ų | 208 | 134 Ų | 134 | 97% | 0.972 | 75% | 0.75 | S | S | * | * | | | trans | -73.4 | 79.2 | 145.3 | -72 | -175.3 | -38.1 | 0 | 0 | 108.2 | | |
| 34 | S | 52.4 | Low | 52.7 | Low | 74 Ų | 74 | 134.4 Ų | 134.4 | 52% | 0.517 | 76% | 0.757 | S | S | . | * | | | trans | -84.3 | 119.7 | 159.8 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | E32 D36 | E32-S34 PolarHBondContact O-N 3.37Å; E32-S34 VanDerWaalsContact O-N 3.08Å; S34-D36 PolarHBondContact O-N 3.22Å; S34-D36 WeakPolarHBondContact OG-CB 3.45Å; S34-D36 PolarHBondContact OG-N 3.12Å; S34-D36 PolarHBondContact OG-OD2 3.36Å |
| 35 | C | 50.9 | Low | 52.7 | Low | 134 Ų | 134 | 139.7 Ų | 139.7 | 91% | 0.905 | 76% | 0.764 | S | S | * | * | | | trans | -86.2 | 62.4 | 164.8 | -141.5 | 0 | 0 | 0 | 0 | 107.4 | Q37 | C35-Q37 PolarHBondContact O-N 3.16Š|
| 36 | D | 47.6 | Very low | 53.1 | Low | 122 Ų | 122 | 140 Ų | 140 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | | | trans | -78.1 | 107.3 | 175.8 | -110.2 | -56.2 | 0 | 0 | 0 | 109.1 | S34 D38 | S34-D36 PolarHBondContact O-N 3.22Å; S34-D36 WeakPolarHBondContact OG-CB 3.45Å; S34-D36 PolarHBondContact OG-N 3.12Å; S34-D36 PolarHBondContact OG-OD2 3.36Å; D36-D38 PolarHBondContact O-N 3.36Å |
| 37 | Q | 48.5 | Very low | 52.3 | Low | 185 Ų | 185 | 141.6 Ų | 141.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | trans | -70.3 | 75.3 | 164.7 | -78.6 | -168.7 | 1.3 | 0 | 0 | 109.4 | C35 | C35-Q37 PolarHBondContact O-N 3.16Š|
| 38 | D | 45.8 | Very low | 52.1 | Low | 124 Ų | 124 | 140.3 Ų | 140.3 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | | | trans | -91.8 | 108.4 | 164.4 | -87.2 | -41.6 | 0 | 0 | 0 | 110.1 | D36 L40 | D36-D38 PolarHBondContact O-N 3.36Å; D38-L40 PolarHBondContact O-N 3.2Å |
| 39 | K | 54.8 | Low | 51.8 | Low | 194 Ų | 194 | 146 Ų | 146 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -59.8 | 83.2 | 164.6 | -70.9 | 176 | 176.3 | -77.5 | 0 | 109.3 | S41 | K39-S41 PolarHBondContact O-N 2.88Š|
| 40 | L | 49.4 | Very low | 51.5 | Low | 134 Ų | 134 | 145.2 Ų | 145.2 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | trans | -92.1 | 80.7 | 165.1 | -68.3 | 179 | 0 | 0 | 0 | 109.5 | D38 Q42 | D38-L40 PolarHBondContact O-N 3.2Å; L40-Q42 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 2.9Å |
| 41 | S | 51.6 | Low | 51.5 | Low | 117 Ų | 117 | 141.6 Ų | 141.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -58.8 | 96.3 | 151.8 | -60 | 0 | 0 | 0 | 0 | 108.4 | K39 | K39-S41 PolarHBondContact O-N 2.88Š|
| 42 | Q | 53.6 | Low | 51.1 | Low | 161 Ų | 161 | 145.4 Ų | 145.4 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -129 | 91 | 163.8 | -69.1 | -164.9 | 11.2 | 0 | 0 | 110 | L40 | L40-Q42 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 2.9Å |
| 43 | S | 44.3 | Very low | 51 | Low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | -28.4 | 122.6 | 153.4 | 175.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 44 | L | 61.4 | Low | 51.2 | Low | 174 Ų | 174 | 141.3 Ų | 141.3 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | | | trans | -138.7 | 109.9 | 149.8 | -92.2 | 166.9 | 0 | 0 | 0 | 107.5 | | |
| 45 | E | 55.9 | Low | 51.1 | Low | 178 Ų | 178 | 146.7 Ų | 146.7 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | -70.1 | 119.9 | 174.7 | -59.5 | 169.3 | 142.8 | 0 | 0 | 108.9 | | |
| 46 | E | 60.7 | Low | 51.2 | Low | 194 Ų | 194 | 147.9 Ų | 147.9 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | | | trans | -148.9 | 106.5 | 148 | -155.9 | 170.4 | 131.4 | 0 | 0 | 109.6 | A48 | E46-A48 PolarHBondContact O-N 2.87Š|
| 47 | T | 44.9 | Very low | 51.2 | Low | 135 Ų | 135 | 148.9 Ų | 148.9 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | | | trans | -70.1 | 115.9 | -176.4 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 48 | A | 55.8 | Low | 51.3 | Low | 98 Ų | 98 | 147.8 Ų | 147.8 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -130.4 | 116.9 | 157 | 0 | 0 | 0 | 0 | 0 | 108.5 | E46 | E46-A48 PolarHBondContact O-N 2.87Š|
| 49 | E | 49.3 | Very low | 51.4 | Low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | -52.5 | 137.3 | -176.8 | -59.7 | 167.2 | 146.7 | 0 | 0 | 112.9 | | |
| 50 | G | 49.9 | Very low | 51 | Low | 77 Ų | 77 | 149.8 Ų | 149.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 145.9 | 104.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 51 | S | 49.6 | Very low | 50.6 | Low | 120 Ų | 120 | 149.7 Ų | 149.7 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | | | trans | 91.3 | 87.5 | 146 | -142.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 52 | T | 45.1 | Very low | 50.6 | Low | 140 Ų | 140 | 150.1 Ų | 150.1 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | | | trans | -63.6 | 116.8 | 153 | 40.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 53 | E | 50.6 | Low | 50.3 | Low | 175 Ų | 175 | 148.5 Ų | 148.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -156.8 | 133.7 | 149.8 | -151.6 | 161.1 | 113.9 | 0 | 0 | 110.6 | | |
| 54 | L | 53.6 | Low | 50.7 | Low | 133 Ų | 133 | 147.9 Ų | 147.9 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | | | trans | 82.8 | 75.6 | 168.3 | -67.7 | 149.1 | 0 | 0 | 0 | 118.5 | | |
| 55 | Q | 49.5 | Very low | 50.4 | Low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | | | trans | -56.8 | 127 | 130.3 | -78.3 | 177.1 | -15.3 | 0 | 0 | 110.3 | | |
| 56 | Q | 53.3 | Low | 50.3 | Low | 159 Ų | 159 | 146.8 Ų | 146.8 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | 164 | 135 | 152.4 | -94.1 | 167.5 | 99.2 | 0 | 0 | 104.8 | | |
| 57 | Q | 48.2 | Very low | 50.1 | Low | 143 Ų | 143 | 142.2 Ų | 142.2 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | | | cis | 178.3 | 139.8 | 2.7 | 179.4 | 169.7 | 16.6 | 0 | 0 | 104 | | |
| 58 | Q | 50.8 | Low | 50.6 | Low | 163 Ų | 163 | 144.1 Ų | 144.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 62.4 | 104 | 164.6 | -80.2 | 161.2 | 15.3 | 0 | 0 | 117.5 | | |
| 59 | Q | 47.7 | Very low | 51 | Low | 191 Ų | 191 | 147.7 Ų | 147.7 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | | 34.8 | 83.1 | 79.5 | -77.5 | -169.1 | 9.4 | 0 | 0 | 114.2 | | |
| 60 | Q | 45.9 | Very low | 51.9 | Low | 169 Ų | 169 | 148.7 Ų | 148.7 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -149.5 | 101.8 | 145.8 | -136.6 | 175.2 | -18.5 | 0 | 0 | 107.8 | D62 | Q60-D62 PolarHBondContact O-N 2.82Š|
| 61 | T | 42.1 | Very low | 52.9 | Low | 132 Ų | 132 | 147 Ų | 147 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | -94.6 | 87 | 176.4 | -43.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 62 | D | 50.9 | Low | 54.2 | Low | 125 Ų | 125 | 149.1 Ų | 149.1 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | trans | -106 | 104.8 | 167.5 | -78.6 | -46.7 | 0 | 0 | 0 | 108.1 | Q60 S64 | Q60-D62 PolarHBondContact O-N 2.82Å; D62-S64 VanDerWaalsContact C-N 3.28Å; D62-S64 PolarHBondContact O-N 2.95Å |
| 63 | C | 47.3 | Very low | 55.9 | Low | 127 Ų | 127 | 150.9 Ų | 150.9 | 86% | 0.858 | 77% | 0.767 | S | S | * | * | | | trans | -68.8 | 86.1 | 170.9 | -74.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 64 | S | 53 | Low | 57.5 | Low | 91 Ų | 91 | 149.8 Ų | 149.8 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | trans | -92.4 | 107.9 | 172.3 | -170 | 0 | 0 | 0 | 0 | 109.9 | D62 E66 | D62-S64 VanDerWaalsContact C-N 3.28Å; D62-S64 PolarHBondContact O-N 2.95Å; S64-E66 VanDerWaalsContact C-N 3.26Å; S64-E66 PolarHBondContact O-N 3.33Å; S64-E66 VanDerWaalsContact O-N 3.15Å; S64-E66 WeakPolarHBondContact OG-CG 3.3Å |
| 65 | L | 54.1 | Low | 58.9 | Low | 176 Ų | 176 | 150 Ų | 150 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | | | trans | -81 | 67.8 | 170.4 | -71.4 | 164.9 | 0 | 0 | 0 | 109.3 | | |
| 66 | E | 54 | Low | 60.7 | Low | 152 Ų | 152 | 149.5 Ų | 149.5 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | | | trans | -118.7 | 103 | -176.4 | -78.3 | -90.5 | 118.5 | 0 | 0 | 111.7 | S64 | S64-E66 VanDerWaalsContact C-N 3.26Å; S64-E66 PolarHBondContact O-N 3.33Å; S64-E66 VanDerWaalsContact O-N 3.15Å; S64-E66 WeakPolarHBondContact OG-CG 3.3Å |
| 67 | T | 56.8 | Low | 62.4 | Low | 99 Ų | 99 | 148.1 Ų | 148.1 | 61% | 0.607 | 75% | 0.751 | S | S | * | * | | | trans | 63.6 | 112.3 | 163.3 | 63.8 | 0 | 0 | 0 | 0 | 117.8 | K69 | T67-K69 PolarHBondContact O-N 3.33Š|
| 68 | D | 56 | Low | 64.3 | Low | 174 Ų | 174 | 147.6 Ų | 147.6 | 93% | 0.93 | 75% | 0.753 | S | S | * | * | | | trans | -58.5 | 75.7 | 156.4 | -92.7 | -29.3 | 0 | 0 | 0 | 109.4 | K70 | D68-K70 PolarHBondContact O-N 2.71Š|
| 69 | K | 63.5 | Low | 66.1 | Low | 174 Ų | 174 | 146.6 Ų | 146.6 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | | | trans | -64.7 | 118.7 | 159.5 | -69.4 | -178.5 | -177.2 | 174.1 | 0 | 104.5 | T67 G71 | T67-K69 PolarHBondContact O-N 3.33Å; K69-G71 PolarHBondContact O-N 2.84Å |
| 70 | K | 68 | Low | 68.2 | Low | 217 Ų | 217 | 146.7 Ų | 146.7 | 94% | 0.943 | 75% | 0.75 | S | S | * | * | | | trans | -58.1 | 74.3 | 165.5 | -71.6 | -177.3 | 176.3 | -178 | 0 | 108.5 | D68 | D68-K70 PolarHBondContact O-N 2.71Š|
| 71 | G | 70.4 | Confident | 70.2 | Confident | 42 Ų | 42 | 144.2 Ų | 144.2 | 43% | 0.433 | 75% | 0.748 | S | S | . | * | | | trans | -78.5 | 120.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | K69 H73 | K69-G71 PolarHBondContact O-N 2.84Å; G71-H73 PolarHBondContact O-CD2 3.33Å; G71-H73 VanDerWaalsContact O-CD2 3.23Å; G71-H73 PolarHBondContact O-N 2.91Å |
| 72 | E | 77.9 | Confident | 72.4 | Confident | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | -69.1 | 99 | 173.2 | -159.4 | 171.7 | -160.2 | 0 | 0 | 108.2 | H74 | E72-H74 VanDerWaalsContact CD-CE1 3.44Å; E72-H74 VanDerWaalsContact CG-CE1 3.48Å; E72-H74 WeakPolarHBondContact CG-CE1 3.02Å; E72-H74 PolarHBondContact O-N 3Å; E72-H74 PolarHBondContact O-ND1 2.94Å; E72-H74 VanDerWaalsContact O-ND1 3.17Å; E72-H74 IonicContact OE2-CE1 3.4Å; E72-H74 PolarHBondContact OE2-CE1 3.32Å |
| 73 | H | 79.9 | Confident | 74.1 | Confident | 178 Ų | 178 | 146.4 Ų | 146.4 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | trans | -72.5 | 95 | 177.4 | -67.3 | -81.7 | 0 | 0 | 0 | 109.6 | G71 I75 | G71-H73 PolarHBondContact O-CD2 3.33Å; G71-H73 VanDerWaalsContact O-CD2 3.23Å; G71-H73 PolarHBondContact O-N 2.91Å; H73-I75 PolarHBondContact O-N 3.48Å |
| 74 | H | 83.9 | Confident | 76 | Confident | 151 Ų | 151 | 148.4 Ų | 148.4 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | | | trans | -80.5 | 117.3 | 170.9 | -67.7 | 85.1 | 0 | 0 | 0 | 109.8 | E72 | E72-H74 VanDerWaalsContact CD-CE1 3.44Å; E72-H74 VanDerWaalsContact CG-CE1 3.48Å; E72-H74 WeakPolarHBondContact CG-CE1 3.02Å; E72-H74 PolarHBondContact O-N 3Å; E72-H74 PolarHBondContact O-ND1 2.94Å; E72-H74 VanDerWaalsContact O-ND1 3.17Å; E72-H74 IonicContact OE2-CE1 3.4Å; E72-H74 PolarHBondContact OE2-CE1 3.32Å |
| 75 | I | 83.4 | Confident | 77.5 | Confident | 138 Ų | 138 | 152.1 Ų | 152.1 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | | | trans | -94.2 | 114.7 | 172.9 | -57.9 | 175.1 | 0 | 0 | 0 | 108.3 | H73 M77 | H73-I75 PolarHBondContact O-N 3.48Å; I75-M77 HydrophobicContact CG2-CG 4.35Å; I75-M77 HydrophobicContact CG2-SD 3.68Å; I75-M77 PolarHBondContact O-N 3.3Å |
| 76 | K | 88.4 | Confident | 78.8 | Confident | 176 Ų | 176 | 149.9 Ų | 149.9 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | | | trans | -76.9 | 106.3 | 173.3 | -171.7 | 175.7 | -178.6 | 179.5 | 0 | 109.5 | | |
| 77 | M | 89.1 | Confident | 80.1 | Confident | 129 Ų | 129 | 148.1 Ų | 148.1 | 64% | 0.635 | 74% | 0.739 | S | S | * | * | | | trans | -89.2 | 116.7 | 174 | -60.2 | -61.8 | -75.1 | 0 | 0 | 109.8 | I75 L79 | I75-M77 HydrophobicContact CG2-CG 4.35Å; I75-M77 HydrophobicContact CG2-SD 3.68Å; I75-M77 PolarHBondContact O-N 3.3Å; M77-L79 HydrophobicContact CB-CG 4.28Å; M77-L79 HydrophobicContact CE-CD2 4.35Å; M77-L79 PolarHBondContact O-N 3.25Å |
| 78 | N | 87.4 | Confident | 80.9 | Confident | 132 Ų | 132 | 152.9 Ų | 152.9 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | -96.3 | 63.2 | 173.7 | -63.2 | -63.7 | 0 | 0 | 0 | 110.3 | | |
| 79 | L | 89.5 | Confident | 81.3 | Confident | 143 Ų | 143 | 148.4 Ų | 148.4 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 130.5 | 179.4 | -62.7 | 177 | 0 | 0 | 0 | 110.6 | M77 | M77-L79 HydrophobicContact CB-CG 4.28Å; M77-L79 HydrophobicContact CE-CD2 4.35Å; M77-L79 PolarHBondContact O-N 3.25Å |
| 80 | K | 90.3 | Very high | 81.2 | Confident | 192 Ų | 192 | 144.9 Ų | 144.9 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -85 | 140.2 | 168.9 | -67.8 | -178.2 | -179.2 | 176.1 | 0 | 109.1 | Q82 | K80-Q82 PolarHBondContact O-N 3.4Š|
| 81 | P | 87.5 | Confident | 80.8 | Confident | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 133.5 | 176 | 27 | -33.1 | 0 | 0 | 0 | 110.1 | | |
| 82 | Q | 88.4 | Confident | 80.4 | Confident | 148 Ų | 148 | 149.2 Ų | 149.2 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | trans | -98 | 115.2 | 169.3 | -162.9 | 172.1 | 28.2 | 0 | 0 | 108.1 | K80 Y84 | K80-Q82 PolarHBondContact O-N 3.4Å; Q82-Y84 HydrophobicContact CB-CE2 4.21Å; Q82-Y84 HydrophobicContact CG-CD2 4.49Å; Q82-Y84 HydrophobicContact CG-CE2 3.76Å; Q82-Y84 PolarHBondContact NE2-OH 3.36Å; Q82-Y84 PolarHBondContact OE1-OH 2.94Å |
| 83 | I | 87.8 | Confident | 79.6 | Confident | 156 Ų | 156 | 150.3 Ų | 150.3 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 122.3 | -179.7 | -58.1 | 173.3 | 0 | 0 | 0 | 107.9 | | |
| 84 | Y | 86.5 | Confident | 78.8 | Confident | 169 Ų | 169 | 147.3 Ų | 147.3 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 129.9 | 173.7 | -64.2 | -91 | 0 | 0 | 0 | 109.2 | Q82 | Q82-Y84 HydrophobicContact CB-CE2 4.21Å; Q82-Y84 HydrophobicContact CG-CD2 4.49Å; Q82-Y84 HydrophobicContact CG-CE2 3.76Å; Q82-Y84 PolarHBondContact NE2-OH 3.36Å; Q82-Y84 PolarHBondContact OE1-OH 2.94Å |
| 85 | L | 85.2 | Confident | 77.8 | Confident | 169 Ų | 169 | 146.9 Ų | 146.9 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -83 | 119.4 | 172.6 | -172.9 | 64 | 0 | 0 | 0 | 108.8 | | |
| 86 | L | 81.2 | Confident | 76.8 | Confident | 128 Ų | 128 | 147.5 Ų | 147.5 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 128 | 170 | -66.4 | 170.1 | 0 | 0 | 0 | 108.3 | | |
| 87 | T | 81.3 | Confident | 75.1 | Confident | 115 Ų | 115 | 143.1 Ų | 143.1 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143.4 | 172.1 | 49.6 | 0 | 0 | 0 | 0 | 109.9 | G89 S90 | T87-G89 PolarHBondContact O-N 2.93Å; T87-S90 PolarHBondContact O-N 3.16Å |
| 88 | E | 72.5 | Confident | 73.8 | Confident | 200 Ų | 200 | 141 Ų | 141 | 94% | 0.935 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 6.8 | -171 | -62.9 | 179.8 | 157.8 | 0 | 0 | 115.4 | | |
| 89 | G | 64.5 | Low | 72.5 | Confident | 80 Ų | 80 | 140 Ų | 140 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -0.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | T87 | T87-G89 PolarHBondContact O-N 2.93Š|
| 90 | S | 61.3 | Low | 71.1 | Confident | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -115.1 | 6.8 | -174.7 | -159.6 | 0 | 0 | 0 | 0 | 114.2 | T87 | T87-S90 PolarHBondContact O-N 3.16Š|
| 91 | Q | 60.4 | Low | 69.4 | Low | 161 Ų | 161 | 138.6 Ų | 138.6 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -94.8 | 15.6 | -170.7 | -119.7 | -164.2 | 30.8 | 0 | 0 | 115.8 | | |
| 92 | E | 62.8 | Low | 68.1 | Low | 189 Ų | 189 | 137.3 Ų | 137.3 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | | | trans | -111.8 | 60.3 | -177.2 | -55.8 | -158.4 | 155.4 | 0 | 0 | 112.8 | | |
| 93 | K | 59.5 | Low | 66.6 | Low | 187 Ų | 187 | 136.1 Ų | 136.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -139.2 | 81.6 | 149.4 | -73.2 | -169.2 | -178.5 | 178.7 | 0 | 107.9 | L95 | K93-L95 VanDerWaalsContact C-N 3.28Å; K93-L95 PolarHBondContact O-N 2.73Å |
| 94 | S | 63.6 | Low | 65.1 | Low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | -56.5 | 102.3 | 157.3 | -165.9 | 0 | 0 | 0 | 0 | 106.2 | D96 | S94-D96 PolarHBondContact O-N 2.99Š|
| 95 | L | 64.3 | Low | 64 | Low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | -68.5 | 90.3 | 161.8 | -69.5 | 176.2 | 0 | 0 | 0 | 104.3 | K93 S97 | K93-L95 VanDerWaalsContact C-N 3.28Å; K93-L95 PolarHBondContact O-N 2.73Å; L95-S97 PolarHBondContact O-N 2.94Å; L95-S97 PolarHBondContact O-OG 2.97Å |
| 96 | D | 61.3 | Low | 63.1 | Low | 150 Ų | 150 | 131.8 Ų | 131.8 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -60.4 | 81.9 | 160.1 | -160.2 | 7.4 | 0 | 0 | 0 | 105.6 | S94 A98 | S94-D96 PolarHBondContact O-N 2.99Å; D96-A98 PolarHBondContact O-N 2.74Å |
| 97 | S | 53.8 | Low | 62.5 | Low | 84 Ų | 84 | 131.7 Ų | 131.7 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | | | trans | -72.8 | 89.3 | 171.6 | -56.6 | 0 | 0 | 0 | 0 | 102.6 | L95 V99 | L95-S97 PolarHBondContact O-N 2.94Å; L95-S97 PolarHBondContact O-OG 2.97Å; S97-V99 PolarHBondContact O-N 2.93Å |
| 98 | A | 60.5 | Low | 61.8 | Low | 86 Ų | 86 | 133.9 Ų | 133.9 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | -56 | 90 | 155.7 | 0 | 0 | 0 | 0 | 0 | 104.9 | D96 P100 | D96-A98 PolarHBondContact O-N 2.74Å; A98-P100 WeakPolarHBondContact O-CD 3.37Å; A98-P100 VanDerWaalsContact O-N 3.1Å |
| 99 | V | 60.9 | Low | 61.3 | Low | 111 Ų | 111 | 139.7 Ų | 139.7 | 67% | 0.673 | 79% | 0.787 | S | S | * | * | | | trans | -61.9 | 109.7 | 168 | 175.4 | 0 | 0 | 0 | 0 | 103.3 | S97 E101 | S97-V99 PolarHBondContact O-N 2.93Å; V99-E101 PolarHBondContact O-N 2.83Å |
| 100 | P | 58.6 | Low | 61.1 | Low | 106 Ų | 106 | 142.7 Ų | 142.7 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | | | trans | -61.3 | 114.8 | 164.8 | 26.8 | -29.8 | 0 | 0 | 0 | 105.5 | A98 S102 | A98-P100 WeakPolarHBondContact O-CD 3.37Å; A98-P100 VanDerWaalsContact O-N 3.1Å; P100-S102 PolarHBondContact O-N 2.95Å |
| 101 | E | 56.5 | Low | 61.1 | Low | 198 Ų | 198 | 144.9 Ų | 144.9 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | | | trans | -61.6 | 76.7 | 166.1 | -69.8 | -176.8 | 135 | 0 | 0 | 108.4 | V99 | V99-E101 PolarHBondContact O-N 2.83Š|
| 102 | S | 59.5 | Low | 61.2 | Low | 90 Ų | 90 | 144.1 Ų | 144.1 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | | | trans | -173.9 | 98.8 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 105.6 | P100 | P100-S102 PolarHBondContact O-N 2.95Š|
| 103 | T | 56.4 | Low | 61.1 | Low | 123 Ų | 123 | 141.4 Ų | 141.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | | -166.2 | 121.3 | 59.5 | -11.7 | 0 | 0 | 0 | 0 | 105.7 | A105 | T103-A105 PolarHBondContact O-N 3.24Š|
| 104 | T | 57.4 | Low | 61.2 | Low | 141 Ų | 141 | 138.6 Ų | 138.6 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | | | trans | -55.2 | 106.7 | 159.5 | 27 | 0 | 0 | 0 | 0 | 107.6 | Q106 | T104-Q106 VanDerWaalsContact C-N 3.3Å; T104-Q106 PolarHBondContact O-N 3.12Å |
| 105 | A | 62.4 | Low | 61 | Low | 97 Ų | 97 | 140.2 Ų | 140.2 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | -66 | 96.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | T103 C107 | T103-A105 PolarHBondContact O-N 3.24Å; A105-C107 PolarHBondContact O-N 3.15Å |
| 106 | Q | 66.6 | Low | 60.8 | Low | 166 Ų | 166 | 140 Ų | 140 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -63.5 | 103.3 | 167.5 | -110.1 | -166.7 | -17.2 | 0 | 0 | 107.6 | T104 Q108 | T104-Q106 VanDerWaalsContact C-N 3.3Å; T104-Q106 PolarHBondContact O-N 3.12Å; Q106-Q108 PolarHBondContact O-N 3.37Å; Q106-Q108 VanDerWaalsContact O-N 3.16Å |
| 107 | C | 67.7 | Low | 60.7 | Low | 125 Ų | 125 | 139.2 Ų | 139.2 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | -70.9 | 102.4 | 163.2 | -166.8 | 0 | 0 | 0 | 0 | 106.8 | A105 | A105-C107 PolarHBondContact O-N 3.15Š|
| 108 | Q | 67.5 | Low | 61.3 | Low | 162 Ų | 162 | 143.8 Ų | 143.8 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | | | trans | -73.8 | 129.9 | 167.1 | -65.9 | -174.5 | 4.7 | 0 | 0 | 107.5 | Q106 | Q106-Q108 PolarHBondContact O-N 3.37Å; Q106-Q108 VanDerWaalsContact O-N 3.16Å |
| 109 | R | 61.7 | Low | 61.4 | Low | 321 Ų | 321 | 149.1 Ų | 149.1 | 100% | 1.211 | 81% | 0.811 | S | S | * | * | | | trans | -66 | 0 | 169.6 | -74.2 | -171.3 | -178.9 | 178.6 | 0.8 | 111 | | |