| 1 | M | 44.7 | Very low | 55.5 | Low | 217 Ų | 217 | 129.7 Ų | 129.7 | 100% | 1.069 | 70% | 0.699 | S | S | * | * | | | | 0 | 155.3 | 0 | -67.1 | 81.1 | 83.1 | 0 | 0 | 108.4 | D3 | M1-D3 PolarHBondContact O-N 2.68Š|
| 2 | R | 47.5 | Very low | 56.4 | Low | 227 Ų | 227 | 130.5 Ų | 130.5 | 86% | 0.857 | 70% | 0.701 | S | S | * | * | | | trans | -76.2 | 118.5 | 163.3 | -87.7 | -176.1 | 175.2 | 174.1 | -1.1 | 107.3 | N4 | R2-N4 PolarHBondContact O-N 3.09Å; R2-N4 PolarHBondContact O-OD1 3.31Å |
| 3 | D | 52.4 | Low | 56.4 | Low | 133 Ų | 133 | 126.4 Ų | 126.4 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | | | trans | -72 | 100.4 | 174.1 | -58.4 | -39.5 | 0 | 0 | 0 | 107.8 | M1 T5 | M1-D3 PolarHBondContact O-N 2.68Å; D3-T5 PolarHBondContact O-N 3.11Å |
| 4 | N | 51.2 | Low | 56.2 | Low | 146 Ų | 146 | 125.6 Ų | 125.6 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | | | trans | -72.4 | 33.6 | -178.6 | -58.7 | -40 | 0 | 0 | 0 | 112.2 | R2 S6 | R2-N4 PolarHBondContact O-N 3.09Å; R2-N4 PolarHBondContact O-OD1 3.31Å; N4-S6 VanDerWaalsContact C-N 3.33Å; N4-S6 PolarHBondContact O-N 3.26Å |
| 5 | T | 50.3 | Low | 56.8 | Low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | | | trans | -75.9 | 87.8 | 177.7 | 54.7 | 0 | 0 | 0 | 0 | 108.6 | D3 | D3-T5 PolarHBondContact O-N 3.11Š|
| 6 | S | 52.6 | Low | 56.9 | Low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | | | trans | -45.2 | 142.6 | 169.3 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | N4 I8 | N4-S6 VanDerWaalsContact C-N 3.33Å; N4-S6 PolarHBondContact O-N 3.26Å; S6-I8 PolarHBondContact O-N 2.88Å |
| 7 | P | 58.2 | Low | 56.8 | Low | 119 Ų | 119 | 116.9 Ų | 116.9 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | | | trans | -53.4 | 129.6 | -179.8 | 21.9 | -33.1 | 0 | 0 | 0 | 110 | S9 | P7-S9 PolarHBondContact O-N 3.03Š|
| 8 | I | 67.4 | Low | 56.6 | Low | 119 Ų | 119 | 124.9 Ų | 124.9 | 61% | 0.61 | 69% | 0.693 | S | S | * | * | | | trans | -74.8 | 88.7 | -170 | -55.3 | 176.6 | 0 | 0 | 0 | 109.3 | S6 V10 | S6-I8 PolarHBondContact O-N 2.88Å; I8-V10 HydrophobicContact CG2-CG2 4.05Å; I8-V10 PolarHBondContact O-N 3.08Å |
| 9 | S | 60.3 | Low | 56.7 | Low | 70 Ų | 70 | 122.8 Ų | 122.8 | 49% | 0.49 | 70% | 0.702 | S | S | . | * | | | trans | -73.2 | 116.3 | 172.8 | -55.3 | 0 | 0 | 0 | 0 | 110.4 | P7 | P7-S9 PolarHBondContact O-N 3.03Š|
| 10 | V | 63.4 | Low | 56.7 | Low | 73 Ų | 73 | 121.1 Ų | 121.1 | 44% | 0.442 | 69% | 0.69 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117 | 128.8 | 172.1 | -176.3 | 0 | 0 | 0 | 0 | 107.9 | I8 L23 | I8-V10 HydrophobicContact CG2-CG2 4.05Å; I8-V10 PolarHBondContact O-N 3.08Å; V10-L23 HydrophobicContact CG1-CB 4.45Å; V10-L23 HydrophobicContact CG1-CD2 4.39Å |
| 11 | I | 62.3 | Low | 56.8 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 56% | 0.559 | 70% | 0.698 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.9 | 172.7 | -52.7 | 179.1 | 0 | 0 | 0 | 107.8 | V13 F24 | I11-V13 HydrophobicContact CB-CG2 4.28Å; I11-V13 HydrophobicContact CG2-CG2 3.64Å; I11-V13 PolarHBondContact O-N 3.14Å; I11-F24 PolarHBondContact N-O 3.24Å; I11-F24 VanDerWaalsContact N-O 3.14Å |
| 12 | L | 66.9 | Low | 58 | Low | 139 Ų | 139 | 117.6 Ų | 117.6 | 73% | 0.728 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.3 | 104.3 | 170.5 | -62.6 | 177.8 | 0 | 0 | 0 | 108 | L23 | L12-L23 HydrophobicContact CD2-CD2 3.27Å |
| 13 | V | 55.9 | Low | 59.1 | Low | 77 Ų | 77 | 112 Ų | 112 | 47% | 0.467 | 65% | 0.651 | S | S | . | * | | | trans | -114.8 | 112.7 | 174.6 | -165.5 | 0 | 0 | 0 | 0 | 107.7 | I11 S15 F24 | I11-V13 HydrophobicContact CB-CG2 4.28Å; I11-V13 HydrophobicContact CG2-CG2 3.64Å; I11-V13 PolarHBondContact O-N 3.14Å; V13-S15 PolarHBondContact O-N 3.38Å; V13-F24 HydrophobicContact CB-CD2 4.02Å; V13-F24 HydrophobicContact CB-CE2 4.29Å; V13-F24 HydrophobicContact CG2-CD2 4.09Å |
| 14 | S | 54.4 | Low | 59.9 | Low | 115 Ų | 115 | 109.9 Ų | 109.9 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | | | trans | -75.8 | 113.1 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 111 | | |
| 15 | S | 64.4 | Low | 60.8 | Low | 87 Ų | 87 | 108.5 Ų | 108.5 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | | | trans | -107 | 60 | 147.7 | -168.8 | 0 | 0 | 0 | 0 | 107.8 | V13 S17 | V13-S15 PolarHBondContact O-N 3.38Å; S15-S17 PolarHBondContact O-N 3.35Å |
| 16 | G | 58 | Low | 61.3 | Low | 59 Ų | 59 | 111.9 Ų | 111.9 | 61% | 0.608 | 62% | 0.62 | S | S | * | * | | | trans | -81.5 | 77.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 17 | S | 56 | Low | 61.8 | Low | 83 Ų | 83 | 111.3 Ų | 111.3 | 58% | 0.58 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -58.1 | 142.5 | 144.8 | 59.4 | 0 | 0 | 0 | 0 | 107.9 | S15 G19 N20 | S15-S17 PolarHBondContact O-N 3.35Å; S17-G19 PolarHBondContact O-N 2.94Å; S17-N20 PolarHBondContact O-N 3.46Å; S17-N20 VanDerWaalsContact O-N 3.08Å |
| 18 | R | 53.5 | Low | 61.8 | Low | 262 Ų | 262 | 112.3 Ų | 112.3 | 99% | 0.989 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | 108.8 | -174.8 | -58.2 | -170.9 | -50.8 | -179.9 | 6.9 | 109.9 | | |
| 19 | G | 58.3 | Low | 61.6 | Low | 84 Ų | 84 | 113.1 Ų | 113.1 | 87% | 0.866 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.6 | -17.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | S17 | S17-G19 PolarHBondContact O-N 2.94Š|
| 20 | N | 57 | Low | 61.5 | Low | 88 Ų | 88 | 120.2 Ų | 120.2 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | | | trans | -104.9 | 112.5 | -172.3 | -152.9 | -7.6 | 0 | 0 | 0 | 114.5 | S17 | S17-N20 PolarHBondContact O-N 3.46Å; S17-N20 VanDerWaalsContact O-N 3.08Å |
| 21 | K | 59 | Low | 61.2 | Low | 195 Ų | 195 | 121.6 Ų | 121.6 | 85% | 0.848 | 64% | 0.637 | S | S | * | * | | | trans | -101.9 | 85.1 | 175.8 | -68 | -172.7 | -179.6 | -176.7 | 0 | 110.9 | L23 | K21-L23 PolarHBondContact O-N 3Š|
| 22 | L | 68.5 | Low | 60.7 | Low | 71 Ų | 71 | 125 Ų | 125 | 37% | 0.372 | 65% | 0.65 | S | S | . | * | | | trans | -72.1 | 118.6 | 175 | -62.4 | 179.9 | 0 | 0 | 0 | 110.9 | F24 | L22-F24 HydrophobicContact CB-CE2 3.95Å; L22-F24 HydrophobicContact CB-CZ 4.37Å; L22-F24 HydrophobicContact CD1-CE2 4.48Å; L22-F24 HydrophobicContact CD1-CZ 4.31Å |
| 23 | L | 71.6 | Confident | 60 | Low | 109 Ų | 109 | 127.3 Ų | 127.3 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 106.6 | 174.5 | -58.8 | -177.1 | 0 | 0 | 0 | 109.6 | V10 L12 K21 | V10-L23 HydrophobicContact CG1-CB 4.45Å; V10-L23 HydrophobicContact CG1-CD2 4.39Å; L12-L23 HydrophobicContact CD2-CD2 3.27Å; K21-L23 PolarHBondContact O-N 3Å |
| 24 | F | 69.2 | Low | 59.9 | Low | 89 Ų | 89 | 128.9 Ų | 128.9 | 39% | 0.39 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.4 | 172.6 | -66.8 | -81.4 | 0 | 0 | 0 | 110 | I11 V13 L22 F28 | I11-F24 PolarHBondContact N-O 3.24Å; I11-F24 VanDerWaalsContact N-O 3.14Å; V13-F24 HydrophobicContact CB-CD2 4.02Å; V13-F24 HydrophobicContact CB-CE2 4.29Å; V13-F24 HydrophobicContact CG2-CD2 4.09Å; L22-F24 HydrophobicContact CB-CE2 3.95Å; L22-F24 HydrophobicContact CB-CZ 4.37Å; L22-F24 HydrophobicContact CD1-CE2 4.48Å; L22-F24 HydrophobicContact CD1-CZ 4.31Å; F24-F28 HydrophobicContact CD1-CD2 4.39Å; F24-F28 HydrophobicContact CD1-CE2 4.33Å; F24-F28 HydrophobicContact CE1-CE2 4.43Å |
| 25 | R | 70.6 | Confident | 59.7 | Low | 116 Ų | 116 | 128.7 Ų | 128.7 | 44% | 0.438 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.6 | 176.4 | -61.2 | 174.5 | 66.7 | -155.2 | -3.6 | 108.6 | P27 F28 | R25-P27 CarbonylContact O-C 3.38Å; R25-F28 WeakPolarHBondContact O-CA 3.47Å |
| 26 | Y | 60.8 | Low | 59.2 | Low | 190 Ų | 190 | 128.4 Ų | 128.4 | 75% | 0.745 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -102.1 | 141.5 | 174.9 | -174.2 | -88.7 | 0 | 0 | 0 | 111.3 | | |
| 27 | P | 61.5 | Low | 59 | Low | 84 Ų | 84 | 131 Ų | 131 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | S | Bend | cis | -64.8 | 152.6 | -11.3 | 29.6 | -35.4 | 0 | 0 | 0 | 111.2 | R25 Q29 | R25-P27 CarbonylContact O-C 3.38Å; P27-Q29 PolarHBondContact O-N 2.86Å |
| 28 | F | 58.8 | Low | 58.9 | Low | 140 Ų | 140 | 135.2 Ų | 135.2 | 61% | 0.614 | 68% | 0.678 | S | S | * | * | | | trans | -64.5 | 103.5 | -174.1 | 174.5 | -113.6 | 0 | 0 | 0 | 111.7 | F24 R25 R30 | F24-F28 HydrophobicContact CD1-CD2 4.39Å; F24-F28 HydrophobicContact CD1-CE2 4.33Å; F24-F28 HydrophobicContact CE1-CE2 4.43Å; R25-F28 WeakPolarHBondContact O-CA 3.47Å; F28-R30 HydrophobicContact CD1-CG 4.45Å; F28-R30 HydrophobicContact CE1-CG 3.71Å; F28-R30 HydrophobicContact CZ-CG 4.17Å |
| 29 | Q | 64.1 | Low | 58.7 | Low | 136 Ų | 136 | 127 Ų | 127 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | | | trans | -89.3 | 121 | 170.2 | -58.7 | -175.7 | -82.7 | 0 | 0 | 108.5 | P27 S31 | P27-Q29 PolarHBondContact O-N 2.86Å; Q29-S31 PolarHBondContact O-N 3.03Å |
| 30 | R | 56.9 | Low | 58.5 | Low | 218 Ų | 218 | 128.8 Ų | 128.8 | 82% | 0.823 | 66% | 0.657 | S | S | * | * | | | trans | -65.4 | 131.9 | 172.7 | -63.7 | 179.5 | -168.4 | 158.1 | 4 | 108.8 | F28 Q32 | F28-R30 HydrophobicContact CD1-CG 4.45Å; F28-R30 HydrophobicContact CE1-CG 3.71Å; F28-R30 HydrophobicContact CZ-CG 4.17Å; R30-Q32 PolarHBondContact O-N 3.41Å |
| 31 | S | 57.3 | Low | 58.4 | Low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | | | trans | -64.2 | 103.8 | 179.3 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | Q29 | Q29-S31 PolarHBondContact O-N 3.03Š|
| 32 | Q | 51.3 | Low | 58.2 | Low | 179 Ų | 179 | 125.7 Ų | 125.7 | 84% | 0.836 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -68 | 135.2 | 139.9 | -163.3 | 172.3 | 17.3 | 0 | 0 | 106.2 | R30 H34 | R30-Q32 PolarHBondContact O-N 3.41Å; Q32-H34 PolarHBondContact O-N 2.81Å |
| 33 | E | 52.3 | Low | 57.8 | Low | 189 Ų | 189 | 134 Ų | 134 | 88% | 0.883 | 67% | 0.672 | S | S | * | * | | | trans | -37.3 | 108.1 | -166.1 | -69.8 | 174.8 | 112.7 | 0 | 0 | 113.2 | P35 | E33-P35 WeakPolarHBondContact O-CD 3.46Š|
| 34 | H | 53.7 | Low | 57.2 | Low | 110 Ų | 110 | 131.6 Ų | 131.6 | 51% | 0.509 | 66% | 0.664 | S | S | . | * | | | trans | -83.9 | 112 | -174.2 | -126.9 | -71.2 | 0 | 0 | 0 | 108.6 | Q32 A36 | Q32-H34 PolarHBondContact O-N 2.81Å; H34-A36 PolarHBondContact O-N 2.96Å |
| 35 | P | 52.1 | Low | 56.7 | Low | 110 Ų | 110 | 138.8 Ų | 138.8 | 71% | 0.714 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -67 | 1.4 | 177.5 | 29 | -36.7 | 0 | 0 | 0 | 113.2 | E33 S37 Q38 | E33-P35 WeakPolarHBondContact O-CD 3.46Å; P35-S37 PolarHBondContact O-N 2.89Å; P35-S37 VanDerWaalsContact O-N 3.12Å; P35-Q38 PolarHBondContact O-N 3.47Å; P35-Q38 VanDerWaalsContact O-N 3.1Å |
| 36 | A | 52.6 | Low | 56.1 | Low | 82 Ų | 82 | 142.7 Ų | 142.7 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -63 | -11.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | H34 Q38 | H34-A36 PolarHBondContact O-N 2.96Å; A36-Q38 PolarHBondContact O-N 3Å |
| 37 | S | 54 | Low | 56 | Low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -73.5 | -12.3 | 171.3 | -167.3 | 0 | 0 | 0 | 0 | 113.8 | P35 | P35-S37 PolarHBondContact O-N 2.89Å; P35-S37 VanDerWaalsContact O-N 3.12Å |
| 38 | Q | 53.1 | Low | 55.7 | Low | 171 Ų | 171 | 136.1 Ų | 136.1 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -132.7 | 93.9 | -179.3 | -68.1 | -172.2 | 13.9 | 0 | 0 | 112.1 | P35 A36 | P35-Q38 PolarHBondContact O-N 3.47Å; P35-Q38 VanDerWaalsContact O-N 3.1Å; A36-Q38 PolarHBondContact O-N 3Å |
| 39 | T | 49.6 | Very low | 55.5 | Low | 88 Ų | 88 | 133.4 Ų | 133.4 | 54% | 0.54 | 70% | 0.695 | S | S | . | * | | | trans | -179.8 | 142.1 | 135.6 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | K41 | T39-K41 PolarHBondContact O-N 3.12Å; T39-K41 HydrophobicContact CG2-CB 4.08Å |
| 40 | S | 54.4 | Low | 55.1 | Low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -67.3 | 20.7 | 175.4 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 41 | K | 54.5 | Low | 54.8 | Low | 150 Ų | 150 | 130.8 Ų | 130.8 | 65% | 0.652 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -119 | 115.8 | -173.4 | -64.5 | 171.5 | -176.4 | 174.7 | 0 | 108.8 | T39 R43 | T39-K41 PolarHBondContact O-N 3.12Å; T39-K41 HydrophobicContact CG2-CB 4.08Å; K41-R43 PolarHBondContact O-N 3.12Å |
| 42 | P | 55.3 | Low | 54.4 | Low | 67 Ų | 67 | 129.1 Ų | 129.1 | 44% | 0.435 | 71% | 0.706 | S | S | . | * | | | trans | -64.2 | 101.8 | 178.1 | 24.7 | -31.9 | 0 | 0 | 0 | 110.1 | S44 A47 | P42-S44 PolarHBondContact O-N 3.39Å; P42-A47 HydrophobicContact CB-CB 3.77Å; P42-A47 WeakPolarHBondContact CB-O 3.42Å |
| 43 | R | 60 | Low | 54.4 | Low | 245 Ų | 245 | 128.4 Ų | 128.4 | 93% | 0.925 | 71% | 0.709 | S | S | * | * | | | trans | -74.4 | -0 | 178 | -163.7 | 167.3 | 179.7 | 82.9 | -0.2 | 113.2 | K41 | K41-R43 PolarHBondContact O-N 3.12Š|
| 44 | S | 59.3 | Low | 54.1 | Low | 59 Ų | 59 | 128.5 Ų | 128.5 | 41% | 0.413 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -109.7 | 133.3 | 175.4 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | P42 Y46 A47 | P42-S44 PolarHBondContact O-N 3.39Å; S44-Y46 PolarHBondContact O-N 3.06Å; S44-Y46 PolarHBondContact OG-N 3.27Å; S44-A47 VanDerWaalsContact O-N 3.12Å; S44-A47 PolarHBondContact O-N 3.47Å |
| 45 | R | 58.1 | Low | 53.8 | Low | 240 Ų | 240 | 126.9 Ų | 126.9 | 91% | 0.906 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -13.6 | 175.7 | -73.4 | -169.4 | -79.8 | 168.3 | -7.1 | 114.2 | | |
| 46 | Y | 57.9 | Low | 53.8 | Low | 199 Ų | 199 | 129.5 Ų | 129.5 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 0.2 | -179.9 | -52.8 | -70.3 | 0 | 0 | 0 | 113.6 | S44 | S44-Y46 PolarHBondContact O-N 3.06Å; S44-Y46 PolarHBondContact OG-N 3.27Å |
| 47 | A | 60 | Low | 53.8 | Low | 48 Ų | 48 | 134 Ų | 134 | 40% | 0.397 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -89.5 | 118 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P42 S44 | P42-A47 HydrophobicContact CB-CB 3.77Å; P42-A47 WeakPolarHBondContact CB-O 3.42Å; S44-A47 VanDerWaalsContact O-N 3.12Å; S44-A47 PolarHBondContact O-N 3.47Å |
| 48 | A | 55.5 | Low | 53.6 | Low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 142.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 49 | S | 54.2 | Low | 53.2 | Low | 82 Ų | 82 | 136.1 Ų | 136.1 | 57% | 0.573 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 122 | 174.4 | 49 | 0 | 0 | 0 | 0 | 110.6 | T51 | S49-T51 PolarHBondContact O-N 3.1Š|
| 50 | N | 54.6 | Low | 53.3 | Low | 162 Ų | 162 | 134.6 Ų | 134.6 | 87% | 0.866 | 73% | 0.733 | S | S | * | * | | | trans | -75.2 | 108.8 | 171.8 | -66.3 | -15.6 | 0 | 0 | 0 | 109.5 | | |
| 51 | T | 51.3 | Low | 52.8 | Low | 137 Ų | 137 | 135.8 Ų | 135.8 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | | | trans | -118.4 | 94.7 | 171.5 | -46.4 | 0 | 0 | 0 | 0 | 107.7 | S49 | S49-T51 PolarHBondContact O-N 3.1Š|
| 52 | G | 49.6 | Very low | 52.9 | Low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | | | trans | 167.1 | 118.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 53 | D | 50 | Low | 52.8 | Low | 165 Ų | 165 | 140 Ų | 140 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | | | trans | -67.1 | 153.3 | -170.8 | -55.6 | -83 | 0 | 0 | 0 | 114.5 | | |
| 54 | H | 45.7 | Very low | 52.4 | Low | 190 Ų | 190 | 133.5 Ų | 133.5 | 88% | 0.88 | 74% | 0.736 | S | S | * | * | | | trans | -132.3 | 102.2 | 148.5 | -160.6 | -50.5 | 0 | 0 | 0 | 107.4 | | |
| 55 | A | 48.6 | Very low | 51.8 | Low | 76 Ų | 76 | 136 Ų | 136 | 63% | 0.628 | 75% | 0.751 | S | S | * | * | | | trans | -67.2 | 158.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 56 | D | 50.7 | Low | 51.7 | Low | 166 Ų | 166 | 133.7 Ų | 133.7 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | | | trans | -68.9 | 123 | 174.4 | -69.9 | -82.7 | 0 | 0 | 0 | 112.5 | | |
| 57 | E | 52.8 | Low | 51.4 | Low | 176 Ų | 176 | 133.1 Ų | 133.1 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | trans | -132.6 | 115.7 | 155.5 | -69.1 | -172.8 | 129.2 | 0 | 0 | 106.1 | | |
| 58 | Q | 50.6 | Low | 51.4 | Low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | | 59 | 131.6 | 103.9 | -60.3 | -85.3 | 21.6 | 0 | 0 | 112.4 | | |
| 59 | D | 45 | Very low | 50.7 | Low | 152 Ų | 152 | 140.6 Ų | 140.6 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | cis | -168.8 | 173.2 | 9.9 | 168.4 | 36.4 | 0 | 0 | 0 | 106.4 | | |
| 60 | G | 52.4 | Low | 50.5 | Low | 55 Ų | 55 | 142.7 Ų | 142.7 | 57% | 0.567 | 78% | 0.783 | S | S | * | * | | | trans | 93.5 | 115.7 | 141.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 61 | D | 43.8 | Very low | 50.7 | Low | 148 Ų | 148 | 145.6 Ų | 145.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 87.7 | 99.6 | 134.3 | -146.2 | 40.8 | 0 | 0 | 0 | 121.4 | | |
| 62 | S | 55.3 | Low | 50.7 | Low | 74 Ų | 74 | 151.2 Ų | 151.2 | 52% | 0.517 | 79% | 0.787 | S | S | . | * | | | | 67.3 | 132.6 | 123.7 | -73.4 | 0 | 0 | 0 | 0 | 124.2 | | |
| 63 | R | 54.6 | Low | 50.7 | Low | 231 Ų | 231 | 151.5 Ų | 151.5 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | trans | 75.5 | 106.8 | 148.1 | -63.2 | 156.8 | -155.1 | -110.7 | 3.5 | 116.8 | P65 | R63-P65 WeakPolarHBondContact O-CD 3.15Š|
| 64 | S | 51.5 | Low | 50.9 | Low | 110 Ų | 110 | 152.2 Ų | 152.2 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -67.8 | 124.1 | 165.2 | 44.4 | 0 | 0 | 0 | 0 | 111.7 | K66 | S64-K66 PolarHBondContact O-N 3.21Å; S64-K66 VanDerWaalsContact O-N 3.09Å |
| 65 | P | 45.1 | Very low | 51.2 | Low | 110 Ų | 110 | 151.2 Ų | 151.2 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | trans | -78.9 | 94.9 | 172.4 | 30.5 | -32.1 | 0 | 0 | 0 | 110.1 | R63 Q67 | R63-P65 WeakPolarHBondContact O-CD 3.15Å; P65-Q67 PolarHBondContact O-N 2.89Å; P65-Q67 VanDerWaalsContact O-N 3.11Å |
| 66 | K | 55.8 | Low | 51.4 | Low | 192 Ų | 192 | 153.9 Ų | 153.9 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -59.6 | 110.4 | 158.6 | -75.1 | -174.2 | 178.1 | -177.9 | 0 | 108 | S64 | S64-K66 PolarHBondContact O-N 3.21Å; S64-K66 VanDerWaalsContact O-N 3.09Å |
| 67 | Q | 51.7 | Low | 51.8 | Low | 187 Ų | 187 | 157.3 Ų | 157.3 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -103.8 | 135.2 | 169.3 | -66.5 | -145.4 | 53.2 | 0 | 0 | 111.2 | P65 | P65-Q67 PolarHBondContact O-N 2.89Å; P65-Q67 VanDerWaalsContact O-N 3.11Å |
| 68 | I | 60.1 | Low | 51.7 | Low | 154 Ų | 154 | 156.4 Ų | 156.4 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -104.2 | 144.7 | -160.6 | -66.5 | 163.4 | 0 | 0 | 0 | 109.4 | | |
| 69 | L | 42.1 | Very low | 51.8 | Low | 140 Ų | 140 | 155.3 Ų | 155.3 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | trans | -66.3 | 147.8 | 178.5 | -161.4 | 73.7 | 0 | 0 | 0 | 111.3 | R71 | L69-R71 HydrophobicContact CD1-CG 4.42Š|
| 70 | P | 49.5 | Very low | 52.1 | Low | 126 Ų | 126 | 155.4 Ų | 155.4 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | | -140.2 | 143.8 | 109.5 | 34.8 | -22.3 | 0 | 0 | 0 | 114.4 | | |
| 71 | R | 58.5 | Low | 52.1 | Low | 222 Ų | 222 | 161.4 Ų | 161.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -96.5 | 128.3 | 167.3 | -80.2 | -172.4 | 164.1 | -161.4 | -4.1 | 110.9 | L69 | L69-R71 HydrophobicContact CD1-CG 4.42Š|
| 72 | R | 51.7 | Low | 52.6 | Low | 255 Ų | 255 | 162.2 Ų | 162.2 | 96% | 0.962 | 81% | 0.812 | S | S | * | * | | | trans | 178.8 | 156.1 | 159.5 | -108.6 | 168.1 | 168.3 | 165.8 | -3.1 | 109.5 | | |
| 73 | G | 50.4 | Low | 52.5 | Low | 75 Ų | 75 | 168.1 Ų | 168.1 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | | | cis | -112.5 | -128.5 | -12.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 74 | K | 53.3 | Low | 52.3 | Low | 179 Ų | 179 | 163.6 Ų | 163.6 | 78% | 0.778 | 83% | 0.829 | S | S | * | * | | | cis | -163.4 | 145.3 | -10.8 | -171.1 | -118.9 | 173.7 | -160.8 | 0 | 108.9 | L76 | K74-L76 PolarHBondContact NZ-O 2.86Š|
| 75 | H | 52.2 | Low | 52.4 | Low | 169 Ų | 169 | 167.7 Ų | 167.7 | 78% | 0.782 | 83% | 0.834 | S | S | * | * | | | trans | -93.3 | 160.4 | 171.7 | -84.5 | -38.4 | 0 | 0 | 0 | 114.1 | | |
| 76 | L | 53.4 | Low | 53 | Low | 133 Ų | 133 | 172.5 Ų | 172.5 | 70% | 0.696 | 84% | 0.844 | S | S | * | * | | | trans | 56.3 | 121.5 | 154.4 | -105.3 | 67.8 | 0 | 0 | 0 | 118.7 | K74 | K74-L76 PolarHBondContact NZ-O 2.86Š|
| 77 | L | 57.2 | Low | 52.7 | Low | 238 Ų | 238 | 170.7 Ų | 170.7 | 100% | 1.246 | 85% | 0.845 | S | S | * | * | | | | -136.2 | 0 | 91.1 | -138.8 | 81 | 0 | 0 | 0 | 108.8 | | |