| 1 | F | 52.9 | Low | 63.9 | Low | 253 Ų | 253 | 168.3 Ų | 168.3 | 100% | 1.11 | 85% | 0.85 | S | S | * | * | | | | 0 | 109.7 | 0 | -72.1 | -82.4 | 0 | 0 | 0 | 109.2 | | |
| 2 | P | 65.3 | Low | 63.9 | Low | 131 Ų | 131 | 162.3 Ų | 162.3 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 135.9 | 172.3 | 32.6 | -28.4 | 0 | 0 | 0 | 108.9 | | |
| 3 | R | 65.7 | Low | 63.6 | Low | 227 Ų | 227 | 162.7 Ų | 162.7 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 143.4 | 175.9 | -68.4 | -178.6 | 170.9 | -178.6 | -3.3 | 109.4 | L5 | R3-L5 PolarHBondContact O-N 3.41Š|
| 4 | P | 65.5 | Low | 63.6 | Low | 112 Ų | 112 | 157.8 Ų | 157.8 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 124.9 | -179.9 | 27.6 | -29.2 | 0 | 0 | 0 | 110.3 | W6 | P4-W6 PolarHBondContact O-N 2.86Š|
| 5 | L | 67.9 | Low | 62.9 | Low | 164 Ų | 164 | 155.7 Ų | 155.7 | 86% | 0.859 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 122.6 | 165.7 | -74 | 102 | 0 | 0 | 0 | 107.7 | R3 T7 | R3-L5 PolarHBondContact O-N 3.41Å; L5-T7 PolarHBondContact O-N 3.36Å; L5-T7 VanDerWaalsContact O-N 3.11Å |
| 6 | W | 59.8 | Low | 62.4 | Low | 251 Ų | 251 | 156 Ų | 156 | 95% | 0.951 | 84% | 0.843 | S | S | * | * | | | trans | -64.6 | 114.4 | -179.8 | -70.1 | 42.5 | 0 | 0 | 0 | 108.2 | P4 | P4-W6 PolarHBondContact O-N 2.86Š|
| 7 | T | 65.9 | Low | 62.5 | Low | 128 Ų | 128 | 153 Ų | 153 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | | | trans | -72.7 | 137 | 174.5 | 34.7 | 0 | 0 | 0 | 0 | 110.3 | L5 C9 | L5-T7 PolarHBondContact O-N 3.36Å; L5-T7 VanDerWaalsContact O-N 3.11Å; T7-C9 PolarHBondContact O-N 2.85Å |
| 8 | L | 58.6 | Low | 61.7 | Low | 155 Ų | 155 | 155.6 Ų | 155.6 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | | | trans | -54.8 | 121.3 | -179.5 | -168.6 | 74.4 | 0 | 0 | 0 | 112 | T10 | L8-T10 HydrophobicContact CD2-CG2 4.16Å; L8-T10 HydrophobicContact CG-CG2 4.22Å |
| 9 | C | 65.1 | Low | 61.6 | Low | 131 Ų | 131 | 157.6 Ų | 157.6 | 89% | 0.885 | 85% | 0.846 | S | S | * | * | | | trans | -98 | 96.3 | 171.4 | -64.9 | 0 | 0 | 0 | 0 | 110.1 | T7 | T7-C9 PolarHBondContact O-N 2.85Š|
| 10 | T | 67.2 | Low | 61.7 | Low | 120 Ų | 120 | 158.7 Ų | 158.7 | 74% | 0.736 | 85% | 0.85 | S | S | * | * | | | trans | -93.8 | 126 | 165.4 | 51.8 | 0 | 0 | 0 | 0 | 109.3 | L8 | L8-T10 HydrophobicContact CD2-CG2 4.16Å; L8-T10 HydrophobicContact CG-CG2 4.22Å |
| 11 | K | 68.9 | Low | 61.3 | Low | 179 Ų | 179 | 156.5 Ų | 156.5 | 78% | 0.778 | 85% | 0.848 | S | S | * | * | | | trans | -140.1 | 105.8 | 161.8 | -170.1 | 171.3 | 169 | 179.4 | 0 | 108.7 | | |
| 12 | A | 63.6 | Low | 61.2 | Low | 97 Ų | 97 | 149.9 Ų | 149.9 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | | | trans | -71.5 | 136.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 13 | M | 60.3 | Low | 61 | Low | 167 Ų | 167 | 148 Ų | 148 | 82% | 0.823 | 83% | 0.825 | S | S | * | * | | | trans | -123.1 | 111.3 | 166.7 | -62.9 | -70.4 | -89.6 | 0 | 0 | 106.8 | | |
| 14 | A | 63.4 | Low | 60.4 | Low | 94 Ų | 94 | 140.9 Ų | 140.9 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | -107.1 | 125.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 15 | S | 53.8 | Low | 60.2 | Low | 126 Ų | 126 | 140.5 Ų | 140.5 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | | | trans | -177.7 | 109.9 | 158.1 | -71 | 0 | 0 | 0 | 0 | 107.9 | | |
| 16 | D | 53.9 | Low | 59.9 | Low | 161 Ų | 161 | 139 Ų | 139 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -79.6 | 158.2 | 177 | -68.3 | -58.5 | 0 | 0 | 0 | 112.8 | | |
| 17 | S | 64.3 | Low | 59.9 | Low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | 71.6 | 110 | 149.2 | -178 | 0 | 0 | 0 | 0 | 119.4 | | |
| 18 | E | 48.7 | Very low | 59.6 | Low | 199 Ų | 199 | 131.3 Ų | 131.3 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | | | | -159.4 | 144.8 | 127.8 | -109.1 | 175.7 | 157.1 | 0 | 0 | 111.5 | | |
| 19 | Q | 58.9 | Low | 59.7 | Low | 195 Ų | 195 | 126.7 Ų | 126.7 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | | | trans | -83.5 | 164.3 | -160.9 | -74.1 | 171.1 | -33.4 | 0 | 0 | 115.5 | | |
| 20 | L | 64.8 | Low | 59.4 | Low | 178 Ų | 178 | 122.8 Ų | 122.8 | 93% | 0.932 | 72% | 0.724 | S | S | * | * | | | trans | -61 | 140.8 | -172 | -56.7 | 161.4 | 0 | 0 | 0 | 117.4 | | |
| 21 | S | 52.8 | Low | 59.1 | Low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | | | trans | -174.1 | 177.3 | 152.9 | -162.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 22 | P | 51.3 | Low | 58.6 | Low | 113 Ų | 113 | 116.4 Ų | 116.4 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | S | Bend | | -71 | 156.3 | -106.7 | 34.5 | -19.7 | 0 | 0 | 0 | 114.2 | D24 | P22-D24 PolarHBondContact O-N 2.96Å; P22-D24 VanDerWaalsContact O-N 3.17Å |
| 23 | A | 60.6 | Low | 58.4 | Low | 91 Ų | 91 | 120.3 Ų | 120.3 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | | | trans | -37.1 | 118.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 24 | D | 53.9 | Low | 58.3 | Low | 79 Ų | 79 | 119.3 Ų | 119.3 | 42% | 0.422 | 69% | 0.69 | S | S | . | * | | | trans | -55.5 | 128.7 | -172.7 | -174.7 | -6.2 | 0 | 0 | 0 | 111.8 | P22 E26 L27 | P22-D24 PolarHBondContact O-N 2.96Å; P22-D24 VanDerWaalsContact O-N 3.17Å; D24-E26 PolarHBondContact O-N 3.23Å; D24-E26 VanDerWaalsContact O-N 3.08Å; D24-E26 WeakPolarHBondContact OD1-CB 3.41Å; D24-E26 WeakPolarHBondContact OD1-CG 3.3Å; D24-E26 PolarHBondContact OD1-N 3.46Å; D24-L27 HydrophobicContact CB-CD1 4.34Å; D24-L27 HydrophobicContact CB-CG 4.23Å; D24-L27 WeakPolarHBondContact O-CB 3.47Å; D24-L27 PolarHBondContact O-N 3.26Å |
| 25 | P | 60.8 | Low | 58.2 | Low | 103 Ų | 103 | 118 Ų | 118 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -54.5 | -22.7 | 172.1 | 21.5 | -32.7 | 0 | 0 | 0 | 113.4 | L27 T28 S29 | P25-L27 VanDerWaalsContact C-N 3.31Å; P25-L27 PolarHBondContact O-N 3.08Å; P25-T28 PolarHBondContact O-N 2.95Å; P25-S29 PolarHBondContact O-N 3.48Å; P25-S29 PolarHBondContact O-OG 3.14Å |
| 26 | E | 61 | Low | 58.4 | Low | 134 Ų | 134 | 117.8 Ų | 117.8 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -63.4 | -31.8 | 172 | -72.2 | -86.6 | 136 | 0 | 0 | 113.3 | D24 T28 S29 A30 | D24-E26 PolarHBondContact O-N 3.23Å; D24-E26 VanDerWaalsContact O-N 3.08Å; D24-E26 WeakPolarHBondContact OD1-CB 3.41Å; D24-E26 WeakPolarHBondContact OD1-CG 3.3Å; D24-E26 PolarHBondContact OD1-N 3.46Å; E26-T28 VanDerWaalsContact C-N 3.32Å; E26-S29 VanDerWaalsContact CA-OG 3.23Å; E26-S29 WeakPolarHBondContact CA-OG 3.45Å; E26-S29 PolarHBondContact O-OG 3.35Å; E26-A30 VanDerWaalsContact O-CB 3.23Å; E26-A30 WeakPolarHBondContact O-CB 3.23Å; E26-A30 PolarHBondContact O-N 2.83Å |
| 27 | L | 60.6 | Low | 58.5 | Low | 117 Ų | 117 | 113.4 Ų | 113.4 | 61% | 0.613 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73 | -31.2 | 176.6 | -64.4 | 175.2 | 0 | 0 | 0 | 111.2 | D24 P25 A31 | D24-L27 HydrophobicContact CB-CD1 4.34Å; D24-L27 HydrophobicContact CB-CG 4.23Å; D24-L27 WeakPolarHBondContact O-CB 3.47Å; D24-L27 PolarHBondContact O-N 3.26Å; P25-L27 VanDerWaalsContact C-N 3.31Å; P25-L27 PolarHBondContact O-N 3.08Å; L27-A31 PolarHBondContact O-N 3.08Å; L27-A31 VanDerWaalsContact O-N 3.09Å |
| 28 | T | 58.6 | Low | 58.3 | Low | 100 Ų | 100 | 110.9 Ų | 110.9 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.4 | -38.6 | 175.6 | -43.5 | 0 | 0 | 0 | 0 | 111 | P25 E26 A31 L32 | P25-T28 PolarHBondContact O-N 2.95Å; E26-T28 VanDerWaalsContact C-N 3.32Å; T28-A31 PolarHBondContact O-N 2.98Å; T28-L32 PolarHBondContact O-N 3.24Å; T28-L32 VanDerWaalsContact O-N 3.1Å |
| 29 | S | 60.5 | Low | 58.9 | Low | 58 Ų | 58 | 107 Ų | 107 | 41% | 0.406 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.4 | -34.5 | 173.3 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | P25 E26 L32 Y33 | P25-S29 PolarHBondContact O-N 3.48Å; P25-S29 PolarHBondContact O-OG 3.14Å; E26-S29 VanDerWaalsContact CA-OG 3.23Å; E26-S29 WeakPolarHBondContact CA-OG 3.45Å; E26-S29 PolarHBondContact O-OG 3.35Å; S29-L32 PolarHBondContact O-N 3.14Å; S29-Y33 VanDerWaalsContact O-CB 3.3Å; S29-Y33 WeakPolarHBondContact O-CB 3.35Å; S29-Y33 PolarHBondContact O-N 3.36Å |
| 30 | A | 60.1 | Low | 59.1 | Low | 48 Ų | 48 | 104 Ų | 104 | 40% | 0.397 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.5 | -40.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E26 Y33 Q34 | E26-A30 VanDerWaalsContact O-CB 3.23Å; E26-A30 WeakPolarHBondContact O-CB 3.23Å; E26-A30 PolarHBondContact O-N 2.83Å; A30-Y33 PolarHBondContact O-N 3.49Å; A30-Q34 VanDerWaalsContact O-CG 3.3Å; A30-Q34 WeakPolarHBondContact O-CG 3.17Å; A30-Q34 PolarHBondContact O-N 3.44Å |
| 31 | A | 60.9 | Low | 59.1 | Low | 63 Ų | 63 | 102.3 Ų | 102.3 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.4 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L27 T28 Q34 S35 | L27-A31 PolarHBondContact O-N 3.08Å; L27-A31 VanDerWaalsContact O-N 3.09Å; T28-A31 PolarHBondContact O-N 2.98Å; A31-Q34 PolarHBondContact O-N 3.43Å; A31-S35 PolarHBondContact O-N 2.81Å |
| 32 | L | 58.2 | Low | 60.1 | Low | 103 Ų | 103 | 103.3 Ų | 103.3 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.8 | -39.5 | 175.1 | -166.8 | 115.9 | 0 | 0 | 0 | 112 | T28 S29 S35 K36 | T28-L32 PolarHBondContact O-N 3.24Å; T28-L32 VanDerWaalsContact O-N 3.1Å; S29-L32 PolarHBondContact O-N 3.14Å; L32-S35 PolarHBondContact O-N 3.11Å; L32-S35 VanDerWaalsContact O-N 3.16Å; L32-S35 PolarHBondContact O-OG 3.18Å; L32-K36 PolarHBondContact O-N 3.44Å |
| 33 | Y | 59.8 | Low | 61.4 | Low | 179 Ų | 179 | 102.6 Ų | 102.6 | 70% | 0.702 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -40 | 174.5 | -178.7 | -103 | 0 | 0 | 0 | 112.2 | S29 A30 S35 K36 A37 | S29-Y33 VanDerWaalsContact O-CB 3.3Å; S29-Y33 WeakPolarHBondContact O-CB 3.35Å; S29-Y33 PolarHBondContact O-N 3.36Å; A30-Y33 PolarHBondContact O-N 3.49Å; Y33-S35 VanDerWaalsContact C-N 3.32Å; Y33-S35 PolarHBondContact O-N 3.22Å; Y33-K36 PolarHBondContact O-N 3.16Å; Y33-A37 PolarHBondContact O-N 3.41Å |
| 34 | Q | 58.4 | Low | 62.3 | Low | 146 Ų | 146 | 108.2 Ų | 108.2 | 68% | 0.682 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.2 | -38.9 | 171.3 | -74.1 | -111.7 | 6.4 | 0 | 0 | 112.5 | A30 A31 K36 A37 S38 | A30-Q34 VanDerWaalsContact O-CG 3.3Å; A30-Q34 WeakPolarHBondContact O-CG 3.17Å; A30-Q34 PolarHBondContact O-N 3.44Å; A31-Q34 PolarHBondContact O-N 3.43Å; Q34-K36 VanDerWaalsContact C-N 3.3Å; Q34-K36 PolarHBondContact O-N 2.98Å; Q34-A37 WeakPolarHBondContact O-CB 3.18Å; Q34-A37 PolarHBondContact O-N 3.1Å; Q34-A37 VanDerWaalsContact O-N 3.11Å; Q34-S38 PolarHBondContact O-N 3.46Å |
| 35 | S | 59.5 | Low | 63.7 | Low | 67 Ų | 67 | 115 Ų | 115 | 47% | 0.469 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67 | -30.9 | 176.3 | 87.8 | 0 | 0 | 0 | 0 | 112.7 | A31 L32 Y33 A37 S38 E39 | A31-S35 PolarHBondContact O-N 2.81Å; L32-S35 PolarHBondContact O-N 3.11Å; L32-S35 VanDerWaalsContact O-N 3.16Å; L32-S35 PolarHBondContact O-OG 3.18Å; Y33-S35 VanDerWaalsContact C-N 3.32Å; Y33-S35 PolarHBondContact O-N 3.22Å; S35-A37 VanDerWaalsContact C-N 3.26Å; S35-A37 PolarHBondContact O-N 3.43Å; S35-S38 WeakPolarHBondContact O-CA 3.05Å; S35-S38 WeakPolarHBondContact O-CB 3.46Å; S35-S38 PolarHBondContact O-N 3.18Å; S35-E39 PolarHBondContact O-N 3.09Å; S35-E39 VanDerWaalsContact O-N 3.08Å |
| 36 | K | 58 | Low | 64.8 | Low | 121 Ų | 121 | 118.5 Ų | 118.5 | 53% | 0.526 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.3 | -13.7 | 172.7 | -67.1 | -173.1 | 178.5 | -176.7 | 0 | 113.7 | L32 Y33 Q34 S38 E39 | L32-K36 PolarHBondContact O-N 3.44Å; Y33-K36 PolarHBondContact O-N 3.16Å; Q34-K36 VanDerWaalsContact C-N 3.3Å; Q34-K36 PolarHBondContact O-N 2.98Å; K36-S38 VanDerWaalsContact C-N 3.3Å; K36-E39 WeakPolarHBondContact O-CB 3.4Å; K36-E39 VanDerWaalsContact O-O 3.11Å |
| 37 | A | 57.5 | Low | 65.8 | Low | 69 Ų | 69 | 117.8 Ų | 117.8 | 57% | 0.57 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -11.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y33 Q34 S35 E39 | Y33-A37 PolarHBondContact O-N 3.41Å; Q34-A37 WeakPolarHBondContact O-CB 3.18Å; Q34-A37 PolarHBondContact O-N 3.1Å; Q34-A37 VanDerWaalsContact O-N 3.11Å; S35-A37 VanDerWaalsContact C-N 3.26Å; S35-A37 PolarHBondContact O-N 3.43Å; A37-E39 CarbonylContact C-O 3.09Å |
| 38 | S | 59.3 | Low | 66.9 | Low | 52 Ų | 52 | 123.6 Ų | 123.6 | 36% | 0.364 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | -33.7 | 170.1 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | Q34 S35 K36 Q41 | Q34-S38 PolarHBondContact O-N 3.46Å; S35-S38 WeakPolarHBondContact O-CA 3.05Å; S35-S38 WeakPolarHBondContact O-CB 3.46Å; S35-S38 PolarHBondContact O-N 3.18Å; K36-S38 VanDerWaalsContact C-N 3.3Å; S38-Q41 WeakPolarHBondContact O-CA 3.39Å; S38-Q41 WeakPolarHBondContact O-CB 3.46Å; S38-Q41 WeakPolarHBondContact O-CG 3.4Å; S38-Q41 PolarHBondContact O-N 2.88Å; S38-Q41 PolarHBondContact OG-NE2 2.93Å; S38-Q41 VanDerWaalsContact OG-NE2 3.12Å; S38-Q41 PolarHBondContact OG-OE1 3.17Å |
| 39 | E | 62.3 | Low | 67.9 | Low | 116 Ų | 116 | 125.3 Ų | 125.3 | 54% | 0.542 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.5 | 143.7 | 147 | -165.4 | 175.8 | -165.6 | 0 | 0 | 106.8 | S35 K36 A37 Q41 H42 | S35-E39 PolarHBondContact O-N 3.09Å; S35-E39 VanDerWaalsContact O-N 3.08Å; K36-E39 WeakPolarHBondContact O-CB 3.4Å; K36-E39 VanDerWaalsContact O-O 3.11Å; A37-E39 CarbonylContact C-O 3.09Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-H42 VanDerWaalsContact CG-CE1 3.41Å; E39-H42 WeakPolarHBondContact CG-CE1 3.3Å |
| 40 | M | 62.8 | Low | 68.7 | Low | 133 Ų | 133 | 133.4 Ų | 133.4 | 66% | 0.655 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84 | -24.1 | -155.8 | -48.6 | -110.2 | -67.7 | 0 | 0 | 115.9 | H42 L43 | M40-H42 PolarHBondContact N-CE1 3.21Å; M40-H42 PolarHBondContact N-ND1 2.81Å; M40-H42 PolarHBondContact O-N 3.47Å; M40-L43 HydrophobicContact CB-CD1 4.15Å; M40-L43 WeakPolarHBondContact O-CB 3.47Å; M40-L43 WeakPolarHBondContact O-CD1 3.23Å; M40-L43 PolarHBondContact O-N 3.12Å; M40-L43 VanDerWaalsContact O-N 3.14Å; M40-L43 HydrophobicContact SD-CD1 4.43Å |
| 41 | Q | 64.5 | Low | 69.4 | Low | 143 Ų | 143 | 135.8 Ų | 135.8 | 67% | 0.668 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -15.1 | 168.5 | -62.9 | 177 | 13.1 | 0 | 0 | 112.6 | S38 E39 L43 | S38-Q41 WeakPolarHBondContact O-CA 3.39Å; S38-Q41 WeakPolarHBondContact O-CB 3.46Å; S38-Q41 WeakPolarHBondContact O-CG 3.4Å; S38-Q41 PolarHBondContact O-N 2.88Å; S38-Q41 PolarHBondContact OG-NE2 2.93Å; S38-Q41 VanDerWaalsContact OG-NE2 3.12Å; S38-Q41 PolarHBondContact OG-OE1 3.17Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; Q41-L43 PolarHBondContact O-N 3.49Å |
| 42 | H | 73.1 | Confident | 69.5 | Low | 134 Ų | 134 | 139.1 Ų | 139.1 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -5.2 | 170.3 | 58 | -111.2 | 0 | 0 | 0 | 113 | E39 M40 K44 | E39-H42 VanDerWaalsContact CG-CE1 3.41Å; E39-H42 WeakPolarHBondContact CG-CE1 3.3Å; M40-H42 PolarHBondContact N-CE1 3.21Å; M40-H42 PolarHBondContact N-ND1 2.81Å; M40-H42 PolarHBondContact O-N 3.47Å; H42-K44 PolarHBondContact O-N 3.48Å |
| 43 | L | 78.1 | Confident | 69.5 | Low | 99 Ų | 99 | 139.7 Ų | 139.7 | 52% | 0.518 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -67 | 122.9 | 170.5 | -87.9 | 74.6 | 0 | 0 | 0 | 108.3 | M40 Q41 R45 | M40-L43 HydrophobicContact CB-CD1 4.15Å; M40-L43 WeakPolarHBondContact O-CB 3.47Å; M40-L43 WeakPolarHBondContact O-CD1 3.23Å; M40-L43 PolarHBondContact O-N 3.12Å; M40-L43 VanDerWaalsContact O-N 3.14Å; M40-L43 HydrophobicContact SD-CD1 4.43Å; Q41-L43 PolarHBondContact O-N 3.49Å; L43-R45 PolarHBondContact O-N 3.11Å |
| 44 | K | 80.9 | Confident | 69 | Low | 209 Ų | 209 | 140.1 Ų | 140.1 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | | | trans | -54.6 | 99.3 | 176.3 | -172.1 | 179.3 | -176.7 | -179.6 | 0 | 109.2 | H42 M46 | H42-K44 PolarHBondContact O-N 3.48Å; K44-M46 PolarHBondContact O-N 3.38Å |
| 45 | R | 82.3 | Confident | 68.7 | Low | 222 Ų | 222 | 136.8 Ų | 136.8 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 137.5 | 177.4 | -65.4 | 178 | 72.8 | 162.5 | 3.5 | 108.3 | L43 | L43-R45 PolarHBondContact O-N 3.11Š|
| 46 | M | 85 | Confident | 68.1 | Low | 175 Ų | 175 | 144.1 Ų | 144.1 | 86% | 0.862 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135.4 | 171.4 | -80.4 | 178.3 | 60.5 | 0 | 0 | 109.6 | K44 R48 | K44-M46 PolarHBondContact O-N 3.38Å; M46-R48 PolarHBondContact O-N 3.31Å; M46-R48 VanDerWaalsContact O-N 3.12Å |
| 47 | P | 81.1 | Confident | 67.7 | Low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 119.1 | 175.2 | 24.7 | -31.3 | 0 | 0 | 0 | 108.8 | V49 | P47-V49 PolarHBondContact O-N 3.12Š|
| 48 | R | 83.2 | Confident | 67.3 | Low | 238 Ų | 238 | 146.9 Ų | 146.9 | 90% | 0.898 | 74% | 0.735 | S | S | * | * | | | trans | -75.3 | 115 | 176.3 | -165.8 | 175.2 | -177.6 | 102.6 | -3.1 | 107.7 | M46 R50 | M46-R48 PolarHBondContact O-N 3.31Å; M46-R48 VanDerWaalsContact O-N 3.12Å; R48-R50 PolarHBondContact O-N 3.11Å; R48-R50 VanDerWaalsContact O-N 3.11Å |
| 49 | V | 80.7 | Confident | 66.6 | Low | 136 Ų | 136 | 152.3 Ų | 152.3 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 116.7 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | P47 | P47-V49 PolarHBondContact O-N 3.12Š|
| 50 | R | 76.8 | Confident | 65.6 | Low | 229 Ų | 229 | 152.2 Ų | 152.2 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 130.6 | 168.6 | -71.7 | -173.9 | 155.5 | 116.6 | -3 | 107.3 | R48 | R48-R50 PolarHBondContact O-N 3.11Å; R48-R50 VanDerWaalsContact O-N 3.11Å |
| 51 | S | 75.8 | Confident | 64.6 | Low | 97 Ų | 97 | 154.7 Ų | 154.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59 | 143.3 | -177.7 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | V53 | S51-V53 PolarHBondContact O-N 3.1Š|
| 52 | V | 62 | Low | 63.4 | Low | 133 Ų | 133 | 152.8 Ų | 152.8 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -71.2 | 69.7 | 179.9 | -174.9 | 0 | 0 | 0 | 0 | 111 | | |
| 53 | V | 59.1 | Low | 61.9 | Low | 115 Ų | 115 | 154.5 Ų | 154.5 | 70% | 0.697 | 80% | 0.797 | S | S | * | * | | | trans | -128 | 22.4 | 174.5 | -169.3 | 0 | 0 | 0 | 0 | 110.8 | S51 | S51-V53 PolarHBondContact O-N 3.1Š|
| 54 | Q | 49.5 | Very low | 60 | Low | 189 Ų | 189 | 154.6 Ų | 154.6 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -116.1 | 17.5 | 174.5 | -82.6 | -178.9 | -3.2 | 0 | 0 | 113.1 | | |
| 55 | A | 50.4 | Low | 58.1 | Low | 75 Ų | 75 | 153.3 Ų | 153.3 | 62% | 0.62 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -121.6 | 15.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 56 | R | 47.7 | Very low | 56.3 | Low | 222 Ų | 222 | 147.5 Ų | 147.5 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -109.8 | 8.8 | 179.8 | -71.1 | -132 | 179.2 | -167.1 | -1.6 | 114.5 | | |
| 57 | D | 50 | Low | 54 | Low | 161 Ų | 161 | 146.4 Ų | 146.4 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -107 | 20.1 | 175 | -63 | -36.7 | 0 | 0 | 0 | 112.7 | | |
| 58 | A | 48.3 | Very low | 52.8 | Low | 87 Ų | 87 | 144.8 Ų | 144.8 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | | | trans | -142.4 | 73.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 59 | E | 44.1 | Very low | 51.4 | Low | 166 Ų | 166 | 139.7 Ų | 139.7 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -80.2 | 143.6 | 156.3 | -67.9 | -68.4 | 143.4 | 0 | 0 | 108.3 | | |
| 60 | P | 41.5 | Very low | 50.1 | Low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | | -144.8 | 146.2 | 87.1 | 35.5 | -17.4 | 0 | 0 | 0 | 116.5 | | |
| 61 | E | 42.1 | Very low | 48.8 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | 35.8 | 123.6 | 143 | -67 | -178.8 | 158.6 | 0 | 0 | 121.3 | | |
| 62 | A | 39.7 | Very low | 47.6 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | | -170.5 | 137.1 | 126.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 63 | D | 40.8 | Very low | 47.1 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | trans | -54.2 | 130.1 | -174.3 | -58.4 | -77.7 | 0 | 0 | 0 | 116.3 | | |
| 64 | A | 38.3 | Very low | 46.9 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | | | trans | -159.5 | 100.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 65 | E | 41 | Very low | 47.1 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | | | trans | -69.3 | 164 | 171.7 | -82 | -76.5 | 117.5 | 0 | 0 | 112.1 | | |
| 66 | P | 46 | Very low | 47.4 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | trans | -100.3 | 128.7 | -134.7 | 35.9 | -33.5 | 0 | 0 | 0 | 113.9 | A68 | P66-A68 PolarHBondContact O-N 3.1Š|
| 67 | V | 35.4 | Very low | 47.9 | Very low | 152 Ų | 152 | 132 Ų | 132 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | | | trans | -93.9 | 89.2 | 159 | 176 | 0 | 0 | 0 | 0 | 107.6 | | |
| 68 | A | 57.2 | Low | 48.4 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | | | trans | -87.3 | 109 | 166 | 0 | 0 | 0 | 0 | 0 | 108.2 | P66 | P66-A68 PolarHBondContact O-N 3.1Š|
| 69 | D | 53.9 | Low | 49.1 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -170.1 | -5.3 | 147.4 | -125.5 | -12 | 0 | 0 | 0 | 116.5 | | |
| 70 | E | 52.6 | Low | 50.2 | Low | 170 Ų | 170 | 135.9 Ų | 135.9 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -129.9 | 11.1 | -176.7 | -66.6 | -68.3 | 176.9 | 0 | 0 | 113.9 | | |
| 71 | A | 49.8 | Very low | 51.8 | Low | 69 Ų | 69 | 137.2 Ų | 137.2 | 57% | 0.57 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -103.7 | -9.6 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | E75 | A71-E75 PolarHBondContact O-N 3.34Š|
| 72 | D | 50.2 | Low | 53 | Low | 87 Ų | 87 | 140.4 Ų | 140.4 | 47% | 0.465 | 74% | 0.744 | S | S | . | * | H | α-helix | trans | -80.6 | -23.9 | -171.6 | -143.4 | -11.7 | 0 | 0 | 0 | 112.1 | Q76 | D72-Q76 WeakPolarHBondContact O-CB 3.04Å; D72-Q76 WeakPolarHBondContact O-CG 3.21Å; D72-Q76 PolarHBondContact O-N 2.82Å; D72-Q76 PolarHBondContact OD1-NE2 3.15Å; D72-Q76 PolarHBondContact OD2-NE2 2.67Å |
| 73 | E | 51.4 | Low | 54.1 | Low | 145 Ų | 145 | 143.3 Ų | 143.3 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -76.1 | -25.8 | 177.4 | -160.5 | 178.5 | 172 | 0 | 0 | 113.2 | | |
| 74 | V | 54.1 | Low | 55.4 | Low | 113 Ų | 113 | 138.3 Ų | 138.3 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -92.8 | -30.9 | -176.4 | -157.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 75 | E | 54.3 | Low | 56.8 | Low | 144 Ų | 144 | 136.3 Ų | 136.3 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -77.6 | -32.4 | 171.7 | -92 | -168.8 | 143.9 | 0 | 0 | 113.3 | A71 K77 Q78 | A71-E75 PolarHBondContact O-N 3.34Å; E75-K77 PolarHBondContact O-N 2.85Å; E75-K77 VanDerWaalsContact O-N 3.1Å; E75-Q78 PolarHBondContact O-N 2.87Å; E75-Q78 VanDerWaalsContact O-N 3.1Å |
| 76 | Q | 56.2 | Low | 57.8 | Low | 137 Ų | 137 | 135.3 Ų | 135.3 | 64% | 0.64 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -13.2 | 173.5 | -73.7 | 179.9 | 34.1 | 0 | 0 | 113.3 | D72 | D72-Q76 WeakPolarHBondContact O-CB 3.04Å; D72-Q76 WeakPolarHBondContact O-CG 3.21Å; D72-Q76 PolarHBondContact O-N 2.82Å; D72-Q76 PolarHBondContact OD1-NE2 3.15Å; D72-Q76 PolarHBondContact OD2-NE2 2.67Å |
| 77 | K | 58.9 | Low | 58.4 | Low | 170 Ų | 170 | 137.7 Ų | 137.7 | 74% | 0.739 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -5.8 | 175 | -113.5 | 170.5 | -178.7 | 162.2 | 0 | 114.6 | E75 | E75-K77 PolarHBondContact O-N 2.85Å; E75-K77 VanDerWaalsContact O-N 3.1Å |
| 78 | Q | 61.1 | Low | 59.8 | Low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -107.9 | 12.5 | 178.6 | -154.2 | 174.4 | 6.6 | 0 | 0 | 114 | E75 | E75-Q78 PolarHBondContact O-N 2.87Å; E75-Q78 VanDerWaalsContact O-N 3.1Å |
| 79 | L | 62.5 | Low | 60.2 | Low | 141 Ų | 141 | 133.2 Ų | 133.2 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | | | trans | -127.9 | 37.1 | 171.3 | -66.5 | 175.3 | 0 | 0 | 0 | 112.1 | K81 | L79-K81 PolarHBondContact O-N 2.87Š|
| 80 | Q | 66.3 | Low | 60.8 | Low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | | | trans | -68.4 | 80.4 | 156.7 | -157.9 | 170.7 | 50 | 0 | 0 | 107.4 | R82 | Q80-R82 PolarHBondContact O-N 3.45Š|
| 81 | K | 75.8 | Confident | 61.5 | Low | 142 Ų | 142 | 137.3 Ų | 137.3 | 62% | 0.617 | 71% | 0.709 | S | S | * | * | | | trans | -41.7 | 136 | 167.6 | -78 | 177 | 176 | 175 | 0 | 106.6 | L79 F83 | L79-K81 PolarHBondContact O-N 2.87Å; K81-F83 HydrophobicContact CB-CD2 3.44Å; K81-F83 VanDerWaalsContact CB-CD2 3.44Å; K81-F83 HydrophobicContact CB-CE2 3.33Å; K81-F83 HydrophobicContact CB-CG 4.25Å; K81-F83 HydrophobicContact CB-CZ 4.04Å; K81-F83 HydrophobicContact CD-CD2 4.48Å; K81-F83 HydrophobicContact CD-CE2 3.52Å; K81-F83 HydrophobicContact CD-CZ 3.56Å; K81-F83 HydrophobicContact CG-CE2 3.99Å; K81-F83 HydrophobicContact CG-CZ 4.43Å; K81-F83 PolarHBondContact O-N 3.39Å |
| 82 | R | 67.6 | Low | 62.3 | Low | 253 Ų | 253 | 139.7 Ų | 139.7 | 96% | 0.955 | 72% | 0.721 | S | S | * | * | | | trans | -63.9 | 56.3 | 173.4 | -56.8 | 167 | 81.2 | -169 | 7.5 | 109.5 | Q80 G84 | Q80-R82 PolarHBondContact O-N 3.45Å; R82-G84 PolarHBondContact O-N 2.84Å |
| 83 | F | 63.3 | Low | 63.2 | Low | 162 Ų | 162 | 139.9 Ų | 139.9 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | trans | -66.1 | 93.5 | 170.7 | -75.3 | -68.3 | 0 | 0 | 0 | 105.3 | K81 G85 | K81-F83 HydrophobicContact CB-CD2 3.44Å; K81-F83 VanDerWaalsContact CB-CD2 3.44Å; K81-F83 HydrophobicContact CB-CE2 3.33Å; K81-F83 HydrophobicContact CB-CG 4.25Å; K81-F83 HydrophobicContact CB-CZ 4.04Å; K81-F83 HydrophobicContact CD-CD2 4.48Å; K81-F83 HydrophobicContact CD-CE2 3.52Å; K81-F83 HydrophobicContact CD-CZ 3.56Å; K81-F83 HydrophobicContact CG-CE2 3.99Å; K81-F83 HydrophobicContact CG-CZ 4.43Å; K81-F83 PolarHBondContact O-N 3.39Å; F83-G85 PolarHBondContact O-N 3.19Å; F83-G85 VanDerWaalsContact O-N 3.15Å |
| 84 | G | 67.3 | Low | 64.2 | Low | 66 Ų | 66 | 143.1 Ų | 143.1 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | 120.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R82 F86 | R82-G84 PolarHBondContact O-N 2.84Å; G84-F86 PolarHBondContact O-N 2.72Å |
| 85 | G | 67.6 | Low | 65 | Low | 58 Ų | 58 | 147.2 Ų | 147.2 | 60% | 0.598 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.4 | 33.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | F83 | F83-G85 PolarHBondContact O-N 3.19Å; F83-G85 VanDerWaalsContact O-N 3.15Å |
| 86 | F | 62.3 | Low | 65.6 | Low | 162 Ų | 162 | 147.3 Ų | 147.3 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | trans | -127.3 | 28.4 | -180 | -164.2 | -101.7 | 0 | 0 | 0 | 113.2 | G84 | G84-F86 PolarHBondContact O-N 2.72Š|
| 87 | T | 59.5 | Low | 66.1 | Low | 151 Ų | 151 | 144.6 Ų | 144.6 | 93% | 0.926 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -111.1 | 24 | 158.1 | 54.1 | 0 | 0 | 0 | 0 | 111 | | |
| 88 | G | 63.7 | Low | 66.3 | Low | 46 Ų | 46 | 144.8 Ų | 144.8 | 47% | 0.474 | 76% | 0.764 | S | S | . | * | S | Bend | trans | -103.8 | 119.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | R90 | G88-R90 PolarHBondContact O-N 2.64Š|
| 89 | A | 65.5 | Low | 66.6 | Low | 98 Ų | 98 | 145.5 Ų | 145.5 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -50.1 | 78.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | K91 | A89-K91 PolarHBondContact O-N 2.83Š|
| 90 | R | 66.8 | Low | 66.3 | Low | 196 Ų | 196 | 152.1 Ų | 152.1 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | | | trans | -71 | 89.6 | 168.4 | -68.6 | -176.9 | -169.5 | -149.6 | 3.9 | 106.1 | G88 S92 | G88-R90 PolarHBondContact O-N 2.64Å; R90-S92 VanDerWaalsContact C-N 3.27Å; R90-S92 PolarHBondContact O-N 3.13Å |
| 91 | K | 66.8 | Low | 66.3 | Low | 191 Ų | 191 | 150.4 Ų | 150.4 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | -56.2 | 93.5 | 163.2 | -66.2 | -169.6 | 178.6 | -163.6 | 0 | 107.5 | A89 A93 | A89-K91 PolarHBondContact O-N 2.83Å; K91-A93 PolarHBondContact O-N 3.42Å |
| 92 | S | 67.9 | Low | 65.8 | Low | 118 Ų | 118 | 150.8 Ų | 150.8 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -73.7 | 71 | 164.7 | 59.8 | 0 | 0 | 0 | 0 | 108.3 | R90 R94 | R90-S92 VanDerWaalsContact C-N 3.27Å; R90-S92 PolarHBondContact O-N 3.13Å; S92-R94 VanDerWaalsContact C-N 3.3Å; S92-R94 PolarHBondContact O-N 3.46Å; S92-R94 VanDerWaalsContact O-N 3.13Å |
| 93 | A | 67.3 | Low | 65.7 | Low | 91 Ų | 91 | 145.1 Ų | 145.1 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -84.6 | 77.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | K91 K95 | K91-A93 PolarHBondContact O-N 3.42Å; A93-K95 PolarHBondContact O-N 3.49Å |
| 94 | R | 72.9 | Confident | 65.8 | Low | 214 Ų | 214 | 144.1 Ų | 144.1 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | -85.2 | 98 | 162.6 | -176.7 | -176.3 | -74.5 | -133.3 | 0.4 | 107.3 | S92 L96 | S92-R94 VanDerWaalsContact C-N 3.3Å; S92-R94 PolarHBondContact O-N 3.46Å; S92-R94 VanDerWaalsContact O-N 3.13Å; R94-L96 HydrophobicContact CG-CD2 4.25Å; R94-L96 HydrophobicContact CG-CG 4.25Å; R94-L96 PolarHBondContact O-N 2.84Å |
| 95 | K | 71.1 | Confident | 65.7 | Low | 198 Ų | 198 | 149 Ų | 149 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | trans | -84.6 | 104.2 | 171.4 | -170.3 | 168.8 | -179.1 | 175.8 | 0 | 108.5 | A93 | A93-K95 PolarHBondContact O-N 3.49Š|
| 96 | L | 67.8 | Low | 65.6 | Low | 146 Ų | 146 | 155.1 Ų | 155.1 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | | | trans | -88.3 | 119.1 | 165.6 | -62.4 | 174.7 | 0 | 0 | 0 | 107.8 | R94 | R94-L96 HydrophobicContact CG-CD2 4.25Å; R94-L96 HydrophobicContact CG-CG 4.25Å; R94-L96 PolarHBondContact O-N 2.84Å |
| 97 | A | 66.6 | Low | 65.8 | Low | 80 Ų | 80 | 154.6 Ų | 154.6 | 66% | 0.661 | 82% | 0.818 | S | S | * | * | | | trans | -151.4 | 79.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 98 | N | 62.1 | Low | 66.3 | Low | 174 Ų | 174 | 154.8 Ų | 154.8 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | | | trans | -89.9 | 95.7 | 146.8 | -89.6 | -63.8 | 0 | 0 | 0 | 105.6 | | |
| 99 | Q | 67 | Low | 66.5 | Low | 182 Ų | 182 | 163.9 Ų | 163.9 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | | | trans | -114 | 105.1 | 157.8 | -83.3 | -162.4 | 62.8 | 0 | 0 | 106.8 | | |
| 100 | K | 56.3 | Low | 66.6 | Low | 279 Ų | 279 | 169.9 Ų | 169.9 | 100% | 1.213 | 84% | 0.84 | S | S | * | * | | | trans | 39.2 | 0 | 148.7 | -63 | 178.9 | 175.3 | 179 | 0 | 117.9 | | |