| 1 | S | 41.1 | Very low | 51.2 | Low | 164 Ų | 164 | 133.6 Ų | 133.6 | 100% | 1.147 | 80% | 0.795 | S | S | * | * | | | | 0 | 107.4 | 0 | -42.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 2 | P | 44.3 | Very low | 51 | Low | 128 Ų | 128 | 130.6 Ų | 130.6 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | -84.2 | 127 | 169.1 | 31.5 | -24.8 | 0 | 0 | 0 | 109 | L4 | P2-L4 PolarHBondContact O-N 2.93Š|
| 3 | S | 49.6 | Very low | 51.5 | Low | 119 Ų | 119 | 132.4 Ų | 132.4 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -62.1 | 110.9 | -176.6 | -38 | 0 | 0 | 0 | 0 | 110.4 | S5 | S3-S5 VanDerWaalsContact C-N 3.31Å; S3-S5 PolarHBondContact O-N 3.26Å |
| 4 | L | 50.6 | Low | 51.6 | Low | 169 Ų | 169 | 130.9 Ų | 130.9 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | trans | -69.8 | 93.3 | 168.2 | -89.4 | 141.8 | 0 | 0 | 0 | 108.7 | P2 S6 | P2-L4 PolarHBondContact O-N 2.93Å; L4-S6 PolarHBondContact O-N 2.81Å |
| 5 | S | 45.8 | Very low | 51.6 | Low | 95 Ų | 95 | 127.9 Ų | 127.9 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | | | trans | 44.5 | 75.7 | 133.8 | -52.9 | 0 | 0 | 0 | 0 | 115.3 | S3 M7 | S3-S5 VanDerWaalsContact C-N 3.31Å; S3-S5 PolarHBondContact O-N 3.26Å; S5-M7 PolarHBondContact O-N 2.81Å |
| 6 | S | 46.5 | Very low | 51.5 | Low | 118 Ų | 118 | 125.8 Ų | 125.8 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | -69.5 | 81.4 | 148.9 | -173.1 | 0 | 0 | 0 | 0 | 106.7 | L4 A8 | L4-S6 PolarHBondContact O-N 2.81Å; S6-A8 PolarHBondContact O-N 2.86Å |
| 7 | M | 54.5 | Low | 51.6 | Low | 164 Ų | 164 | 126.1 Ų | 126.1 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | | | trans | -70.6 | 80.9 | 170.1 | -147.2 | 163.8 | 107 | 0 | 0 | 105.3 | S5 T9 | S5-M7 PolarHBondContact O-N 2.81Å; M7-T9 PolarHBondContact O-N 3.37Å |
| 8 | A | 57 | Low | 51.5 | Low | 68 Ų | 68 | 124.8 Ų | 124.8 | 56% | 0.562 | 75% | 0.747 | S | S | * | * | | | trans | -63.3 | 94.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | S6 R10 | S6-A8 PolarHBondContact O-N 2.86Å; A8-R10 PolarHBondContact O-N 3.41Å |
| 9 | T | 59.2 | Low | 51.4 | Low | 114 Ų | 114 | 122.6 Ų | 122.6 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | trans | -54.6 | 96.1 | 171.4 | -57 | 0 | 0 | 0 | 0 | 106.7 | M7 V11 | M7-T9 PolarHBondContact O-N 3.37Å; T9-V11 HydrophobicContact CG2-CG2 4.29Å; T9-V11 PolarHBondContact O-N 2.92Å |
| 10 | R | 56.6 | Low | 51.5 | Low | 224 Ų | 224 | 121.3 Ų | 121.3 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | | | trans | -69.4 | 85.7 | 168.9 | -69.6 | -112 | -170.1 | -103.3 | 0.8 | 104.9 | A8 P12 | A8-R10 PolarHBondContact O-N 3.41Å; R10-P12 VanDerWaalsContact O-N 3.08Å; R10-P12 WeakPolarHBondContact O-CD 3.27Å; R10-P12 VanDerWaalsContact O-CD 3.27Å |
| 11 | V | 57.6 | Low | 51.4 | Low | 107 Ų | 107 | 125.9 Ų | 125.9 | 65% | 0.648 | 74% | 0.735 | S | S | * | * | | | trans | -53 | 117.1 | 165.4 | -179.3 | 0 | 0 | 0 | 0 | 104.8 | T9 L13 | T9-V11 HydrophobicContact CG2-CG2 4.29Å; T9-V11 PolarHBondContact O-N 2.92Å; V11-L13 PolarHBondContact O-N 2.82Å |
| 12 | P | 48.7 | Very low | 52 | Low | 97 Ų | 97 | 121 Ų | 121 | 63% | 0.63 | 70% | 0.7 | S | S | * | * | | | trans | -61.7 | 113.2 | 168.4 | 25.5 | -28.1 | 0 | 0 | 0 | 104.3 | R10 T14 | R10-P12 VanDerWaalsContact O-N 3.08Å; R10-P12 WeakPolarHBondContact O-CD 3.27Å; R10-P12 VanDerWaalsContact O-CD 3.27Å; P12-T14 PolarHBondContact O-N 2.76Å; P12-T14 PolarHBondContact O-OG1 3.19Å |
| 13 | L | 58.7 | Low | 52.3 | Low | 154 Ų | 154 | 118.8 Ų | 118.8 | 81% | 0.806 | 69% | 0.685 | S | S | * | * | | | trans | -64.1 | 73.5 | 158.5 | -81.9 | 154.5 | 0 | 0 | 0 | 104.8 | V11 V15 | V11-L13 PolarHBondContact O-N 2.82Å; L13-V15 HydrophobicContact CB-CG2 4.16Å; L13-V15 WeakPolarHBondContact O-CG2 3.45Å; L13-V15 PolarHBondContact O-N 2.8Å |
| 14 | T | 51.6 | Low | 52.5 | Low | 111 Ų | 111 | 122.2 Ų | 122.2 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | | | trans | -69.1 | 76.9 | 160 | -33 | 0 | 0 | 0 | 0 | 103.4 | P12 S16 | P12-T14 PolarHBondContact O-N 2.76Å; P12-T14 PolarHBondContact O-OG1 3.19Å; T14-S16 PolarHBondContact O-OG 2.75Å; T14-S16 PolarHBondContact O-N 3.49Å; T14-S16 VanDerWaalsContact C-N 3.27Å |
| 15 | V | 52 | Low | 52.6 | Low | 86 Ų | 86 | 118.5 Ų | 118.5 | 52% | 0.521 | 67% | 0.667 | S | S | . | * | | | trans | -50.2 | 100.6 | 171 | 164.6 | 0 | 0 | 0 | 0 | 104.8 | L13 I17 | L13-V15 HydrophobicContact CB-CG2 4.16Å; L13-V15 WeakPolarHBondContact O-CG2 3.45Å; L13-V15 PolarHBondContact O-N 2.8Å; V15-I17 HydrophobicContact CB-CD1 4.46Å; V15-I17 HydrophobicContact CG1-CB 3.9Å; V15-I17 HydrophobicContact CG1-CD1 3.03Å; V15-I17 HydrophobicContact CG1-CG1 3.14Å; V15-I17 PolarHBondContact O-N 2.82Å |
| 16 | S | 50 | Low | 53 | Low | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | | | trans | -67.5 | 45.8 | 172.2 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | T14 S18 S19 | T14-S16 PolarHBondContact O-OG 2.75Å; T14-S16 PolarHBondContact O-N 3.49Å; T14-S16 VanDerWaalsContact C-N 3.27Å; S16-S18 PolarHBondContact O-N 2.75Å; S16-S19 PolarHBondContact O-N 2.71Å |
| 17 | I | 54.2 | Low | 53.4 | Low | 132 Ų | 132 | 120.1 Ų | 120.1 | 68% | 0.677 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 69 | 160.5 | -64.6 | 163.8 | 0 | 0 | 0 | 106.5 | V15 | V15-I17 HydrophobicContact CB-CD1 4.46Å; V15-I17 HydrophobicContact CG1-CB 3.9Å; V15-I17 HydrophobicContact CG1-CD1 3.03Å; V15-I17 HydrophobicContact CG1-CG1 3.14Å; V15-I17 PolarHBondContact O-N 2.82Å |
| 18 | S | 48.8 | Very low | 53.4 | Low | 103 Ų | 103 | 119.2 Ų | 119.2 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.1 | -17.8 | 162.5 | -81.1 | 0 | 0 | 0 | 0 | 109.5 | S16 | S16-S18 PolarHBondContact O-N 2.75Š|
| 19 | S | 49.9 | Very low | 53.2 | Low | 83 Ų | 83 | 122.7 Ų | 122.7 | 58% | 0.58 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84.4 | -20.7 | 179.3 | -156.8 | 0 | 0 | 0 | 0 | 114.3 | S16 T23 | S16-S19 PolarHBondContact O-N 2.71Å; S19-T23 PolarHBondContact O-OG1 3.43Å |
| 20 | T | 53 | Low | 52.9 | Low | 95 Ų | 95 | 124.8 Ų | 124.8 | 58% | 0.583 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -87.3 | -22.9 | 179.3 | 43.2 | 0 | 0 | 0 | 0 | 114.3 | T23 | T20-T23 PolarHBondContact O-OG1 3.46Å |
| 21 | R | 49.7 | Very low | 52.8 | Low | 218 Ų | 218 | 118.1 Ų | 118.1 | 82% | 0.823 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -79.9 | -25.9 | 177.5 | -169.9 | 173.4 | 155.6 | -176.8 | -6.7 | 112.5 | | |
| 22 | S | 52.8 | Low | 53 | Low | 61 Ų | 61 | 119.6 Ų | 119.6 | 43% | 0.427 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -77.6 | -33 | 179 | -161 | 0 | 0 | 0 | 0 | 113 | R26 | S22-R26 PolarHBondContact O-N 3.2Å |
| 23 | T | 52.3 | Low | 53.4 | Low | 83 Ų | 83 | 124.7 Ų | 124.7 | 51% | 0.509 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -73.6 | -38.2 | -180 | 39 | 0 | 0 | 0 | 0 | 112.8 | S19 T20 C25 R26 A27 | S19-T23 PolarHBondContact O-OG1 3.43Å; T20-T23 PolarHBondContact O-OG1 3.46Å; T23-C25 VanDerWaalsContact C-N 3.34Å; T23-C25 PolarHBondContact O-N 3Å; T23-R26 PolarHBondContact O-N 3.3Å; T23-A27 WeakPolarHBondContact O-CB 3.49Å; T23-A27 PolarHBondContact O-N 3.32Å |
| 24 | W | 52.4 | Low | 53.1 | Low | 191 Ų | 191 | 123.3 Ų | 123.3 | 72% | 0.723 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.3 | -35.4 | 176.9 | -94.5 | 68.6 | 0 | 0 | 0 | 113.5 | Q28 | W24-Q28 PolarHBondContact O-N 3.35Å |
| 25 | C | 54.3 | Low | 53.1 | Low | 90 Ų | 90 | 122.1 Ų | 122.1 | 61% | 0.608 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.9 | -31.6 | 178.8 | -147.8 | 0 | 0 | 0 | 0 | 111.9 | T23 | T23-C25 VanDerWaalsContact C-N 3.34Å; T23-C25 PolarHBondContact O-N 3Å |
| 26 | R | 52.4 | Low | 53.1 | Low | 180 Ų | 180 | 121.2 Ų | 121.2 | 68% | 0.679 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -79 | -32.9 | 175.2 | -69 | -178.1 | -163.8 | -106.8 | 2.3 | 113.4 | S22 T23 Q28 M29 | S22-R26 PolarHBondContact O-N 3.2Å; T23-R26 PolarHBondContact O-N 3.3Å; R26-Q28 VanDerWaalsContact C-N 3.32Å; R26-Q28 PolarHBondContact O-N 3.45Å; R26-M29 PolarHBondContact O-N 3.44Å |
| 27 | A | 56.1 | Low | 53.3 | Low | 68 Ų | 68 | 121.5 Ų | 121.5 | 56% | 0.562 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -65.7 | -33.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T23 M29 | T23-A27 WeakPolarHBondContact O-CB 3.49Å; T23-A27 PolarHBondContact O-N 3.32Å; A27-M29 VanDerWaalsContact C-N 3.33Å; A27-M29 PolarHBondContact O-N 3.44Å |
| 28 | Q | 54 | Low | 53.2 | Low | 144 Ų | 144 | 120 Ų | 120 | 67% | 0.673 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -73.6 | -19.9 | 178.7 | -71.1 | -157.5 | 72.3 | 0 | 0 | 114.1 | W24 R26 | W24-Q28 PolarHBondContact O-N 3.35Å; R26-Q28 VanDerWaalsContact C-N 3.32Å; R26-Q28 PolarHBondContact O-N 3.45Å |
| 29 | M | 53 | Low | 53.3 | Low | 141 Ų | 141 | 120.2 Ų | 120.2 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -84 | -11.6 | 178.8 | -72.6 | -149.9 | -98.7 | 0 | 0 | 114.4 | R26 A27 | R26-M29 PolarHBondContact O-N 3.44Å; A27-M29 VanDerWaalsContact C-N 3.33Å; A27-M29 PolarHBondContact O-N 3.44Å |
| 30 | M | 52.8 | Low | 53.5 | Low | 159 Ų | 159 | 127.5 Ų | 127.5 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -90.1 | -3.6 | 179.4 | -65.8 | -75.6 | 129 | 0 | 0 | 113.4 | | |
| 31 | A | 54.9 | Low | 53.6 | Low | 83 Ų | 83 | 130.8 Ų | 130.8 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | | | trans | -99.4 | 18.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 32 | L | 61.4 | Low | 53.4 | Low | 138 Ų | 138 | 123.6 Ų | 123.6 | 72% | 0.723 | 70% | 0.696 | S | S | * | * | | | trans | -108.3 | 65.5 | 176.4 | -76.7 | 155.5 | 0 | 0 | 0 | 110.6 | | |
| 33 | W | 56.9 | Low | 53 | Low | 204 Ų | 204 | 129.6 Ų | 129.6 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | | | trans | -144.4 | 107.6 | 159.4 | -71.7 | 112.1 | 0 | 0 | 0 | 110.2 | C35 | W33-C35 VanDerWaalsContact C-N 3.32Å; W33-C35 HydrophobicContact CE3-CB 4.33Å; W33-C35 VanDerWaalsContact CZ3-SG 3.54Å |
| 34 | P | 51.8 | Low | 52.4 | Low | 125 Ų | 125 | 130.3 Ų | 130.3 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | | | | -87.8 | 87.6 | 125 | 31.8 | -16.6 | 0 | 0 | 0 | 105.3 | G36 | P34-G36 PolarHBondContact O-N 2.74Š|
| 35 | C | 52.6 | Low | 52.1 | Low | 87 Ų | 87 | 126.5 Ų | 126.5 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | | | trans | -60 | 100.8 | 154.9 | -93.2 | 0 | 0 | 0 | 0 | 104.3 | W33 A37 | W33-C35 VanDerWaalsContact C-N 3.32Å; W33-C35 HydrophobicContact CE3-CB 4.33Å; W33-C35 VanDerWaalsContact CZ3-SG 3.54Å; C35-A37 PolarHBondContact O-N 2.82Å |
| 36 | G | 52.5 | Low | 51.6 | Low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | | | trans | -44.1 | 117.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | P34 S38 | P34-G36 PolarHBondContact O-N 2.74Å; G36-S38 PolarHBondContact O-N 2.84Å |
| 37 | A | 52.6 | Low | 51.5 | Low | 99 Ų | 99 | 124.1 Ų | 124.1 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | -61.8 | 92.8 | 168 | 0 | 0 | 0 | 0 | 0 | 105.6 | C35 P39 | C35-A37 PolarHBondContact O-N 2.82Å; A37-P39 WeakPolarHBondContact O-CD 3.47Å; A37-P39 VanDerWaalsContact O-N 3.15Å |
| 38 | S | 53.5 | Low | 50.9 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | | | trans | -48.6 | 119.9 | 171.2 | 179.6 | 0 | 0 | 0 | 0 | 106.9 | G36 R40 | G36-S38 PolarHBondContact O-N 2.84Å; S38-R40 VanDerWaalsContact C-N 3.3Å; S38-R40 PolarHBondContact O-N 2.98Å |
| 39 | P | 50.9 | Low | 50.8 | Low | 108 Ų | 108 | 122.2 Ų | 122.2 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | trans | -67.4 | 100.6 | 175.3 | 25.7 | -27.6 | 0 | 0 | 0 | 105.9 | A37 N41 | A37-P39 WeakPolarHBondContact O-CD 3.47Å; A37-P39 VanDerWaalsContact O-N 3.15Å; P39-N41 VanDerWaalsContact C-N 3.28Å; P39-N41 PolarHBondContact O-N 2.91Å |
| 40 | R | 53.6 | Low | 51 | Low | 236 Ų | 236 | 123.8 Ų | 123.8 | 89% | 0.891 | 73% | 0.728 | S | S | * | * | | | trans | -71.4 | 97.1 | 173.8 | -167.2 | 170 | 169.9 | -178.9 | -4.4 | 105.4 | S38 G42 | S38-R40 VanDerWaalsContact C-N 3.3Å; S38-R40 PolarHBondContact O-N 2.98Å; R40-G42 VanDerWaalsContact C-N 3.27Å; R40-G42 PolarHBondContact O-N 2.81Å |
| 41 | N | 55.3 | Low | 50.8 | Low | 163 Ų | 163 | 124.3 Ų | 124.3 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | | | trans | -50.4 | 96.4 | 165.5 | -69.8 | -18.8 | 0 | 0 | 0 | 108 | P39 | P39-N41 VanDerWaalsContact C-N 3.28Å; P39-N41 PolarHBondContact O-N 2.91Å |
| 42 | G | 44.9 | Very low | 50.3 | Low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | | | trans | -134.9 | 87.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | R40 | R40-G42 VanDerWaalsContact C-N 3.27Å; R40-G42 PolarHBondContact O-N 2.81Å |
| 43 | H | 44.8 | Very low | 49.2 | Very low | 187 Ų | 187 | 124.6 Ų | 124.6 | 87% | 0.866 | 72% | 0.724 | S | S | * | * | | | trans | -55.5 | 139.7 | 178 | -144.4 | 136.7 | 0 | 0 | 0 | 111 | | |
| 44 | S | 39.1 | Very low | 48.8 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | | | trans | 115.9 | 147.3 | 145.2 | -52.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 45 | P | 47.7 | Very low | 48.6 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | | | | -114.5 | 144.5 | -58.8 | 31 | -18.2 | 0 | 0 | 0 | 109 | S47 | P45-S47 PolarHBondContact O-N 2.9Š|
| 46 | S | 44.1 | Very low | 48.7 | Very low | 115 Ų | 115 | 120 Ų | 120 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | -68.3 | 85.5 | 161.5 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 47 | S | 48.4 | Very low | 48.6 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | | | | -77.7 | 128.3 | 122.9 | 52.1 | 0 | 0 | 0 | 0 | 103.5 | P45 | P45-S47 PolarHBondContact O-N 2.9Š|
| 48 | A | 45.1 | Very low | 49 | Very low | 22 Ų | 22 | 124 Ų | 124 | 18% | 0.182 | 73% | 0.732 | C | S | . | * | | | trans | 146.4 | 129.3 | 134.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | L50 M51 G52 | A48-L50 CarbonylContact C-O 3.57Å; A48-L50 WeakPolarHBondContact CB-O 2.65Å; A48-L50 WeakPolarHBondContact CA-O 3.44Å; A48-M51 CarbonylContact C-O 3.28Å; A48-M51 VanDerWaalsContact C-O 3.28Å; A48-M51 HydrophobicContact CB-CB 3.16Å; A48-M51 WeakPolarHBondContact CB-O 3.5Å; A48-M51 CarbonylContact O-C 2.6Å; A48-M51 WeakPolarHBondContact O-CA 3.28Å; A48-G52 WeakPolarHBondContact O-CA 2.84Å; A48-G52 PolarHBondContact O-N 2.78Å; A48-G52 VanDerWaalsContact O-CA 3.28Å |
| 49 | K | 51.9 | Low | 48.6 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | S | Bend | | -136 | 31.1 | 122.3 | -149.9 | 124.4 | 169.1 | 167.1 | 0 | 116 | M51 G52 F53 | K49-M51 VanDerWaalsContact N-C 3.32Å; K49-G52 VanDerWaalsContact CB-CA 3.42Å; K49-F53 HydrophobicContact CB-CD2 3.68Å; K49-F53 HydrophobicContact CB-CE2 4.31Å; K49-F53 HydrophobicContact CD-CD2 3.95Å; K49-F53 HydrophobicContact CG-CD2 3.66Å; K49-F53 HydrophobicContact CG-CE2 4.25Å |
| 50 | L | 56 | Low | 49 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | S | Bend | cis | 43.1 | 5.2 | 1.5 | -96.6 | 148.6 | 0 | 0 | 0 | 117.4 | A48 | A48-L50 CarbonylContact C-O 3.57Å; A48-L50 WeakPolarHBondContact CB-O 2.65Å; A48-L50 WeakPolarHBondContact CA-O 3.44Å |
| 51 | M | 49.8 | Very low | 49 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 84% | 0.837 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 78.7 | 59.6 | -148.5 | -137.7 | -172.8 | -62 | 0 | 0 | 130.8 | A48 K49 | A48-M51 CarbonylContact C-O 3.28Å; A48-M51 VanDerWaalsContact C-O 3.28Å; A48-M51 HydrophobicContact CB-CB 3.16Å; A48-M51 WeakPolarHBondContact CB-O 3.5Å; A48-M51 CarbonylContact O-C 2.6Å; A48-M51 WeakPolarHBondContact O-CA 3.28Å; K49-M51 VanDerWaalsContact N-C 3.32Å |
| 52 | G | 43.3 | Very low | 48.6 | Very low | 46 Ų | 46 | 124.1 Ų | 124.1 | 47% | 0.474 | 74% | 0.735 | S | S | . | * | | | trans | 129.7 | 99.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | A48 K49 | A48-G52 WeakPolarHBondContact O-CA 2.84Å; A48-G52 PolarHBondContact O-N 2.78Å; A48-G52 VanDerWaalsContact O-CA 3.28Å; K49-G52 VanDerWaalsContact CB-CA 3.42Å |
| 53 | F | 38.3 | Very low | 49.1 | Very low | 181 Ų | 181 | 126.2 Ų | 126.2 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | | | trans | -68.7 | 141 | -173.4 | -104.3 | -111.9 | 0 | 0 | 0 | 114 | K49 | K49-F53 HydrophobicContact CB-CD2 3.68Å; K49-F53 HydrophobicContact CB-CE2 4.31Å; K49-F53 HydrophobicContact CD-CD2 3.95Å; K49-F53 HydrophobicContact CG-CD2 3.66Å; K49-F53 HydrophobicContact CG-CE2 4.25Å |
| 54 | T | 48.3 | Very low | 49.5 | Very low | 140 Ų | 140 | 121 Ų | 121 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | | | trans | -58.9 | 142.9 | 170.1 | 29.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 55 | G | 48.4 | Very low | 49.5 | Very low | 63 Ų | 63 | 122.8 Ų | 122.8 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | | | trans | 131.6 | 124.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 56 | S | 55.1 | Low | 49.5 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | 85.9 | 134 | 153.9 | -27.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 57 | Q | 49.1 | Very low | 49.9 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | | | cis | -156.8 | 133 | 39.4 | -68.8 | 171.7 | 61.5 | 0 | 0 | 110.4 | | |
| 58 | A | 62.3 | Low | 50 | Low | 99 Ų | 99 | 130.7 Ų | 130.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -60.8 | 127.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 59 | W | 44.4 | Very low | 50.3 | Low | 223 Ų | 223 | 136.4 Ų | 136.4 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -131.3 | 123.6 | 164.2 | -78.1 | 67.5 | 0 | 0 | 0 | 108.7 | | |
| 60 | S | 58.7 | Low | 50.2 | Low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -71.6 | 151.4 | -163.3 | -49.6 | 0 | 0 | 0 | 0 | 114 | | |
| 61 | N | 53.5 | Low | 49.8 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | -37.3 | 147.6 | 171.6 | -119.6 | -21.1 | 0 | 0 | 0 | 115.6 | | |
| 62 | P | 48.3 | Very low | 49.8 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | | | trans | -121.8 | 104.1 | 136.4 | 32.6 | -19.5 | 0 | 0 | 0 | 110.8 | | |
| 63 | S | 55.3 | Low | 50.3 | Low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | | | trans | 39.3 | 100.6 | 132.4 | -42 | 0 | 0 | 0 | 0 | 119.5 | | |
| 64 | G | 53.2 | Low | 51.1 | Low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | | 47.7 | 104.8 | 128.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 65 | C | 38.3 | Very low | 51.3 | Low | 136 Ų | 136 | 133 Ų | 133 | 92% | 0.919 | 83% | 0.827 | S | S | * | * | | | trans | -123.6 | 107.4 | 146.5 | -72.5 | 0 | 0 | 0 | 0 | 108 | | |
| 66 | H | 46.8 | Very low | 51.6 | Low | 181 Ų | 181 | 138.8 Ų | 138.8 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | | | trans | -90.9 | 147.5 | 167.4 | -141.2 | -101.7 | 0 | 0 | 0 | 108 | | |
| 67 | P | 53.8 | Low | 51.3 | Low | 184 Ų | 184 | 141 Ų | 141 | 100% | 1.195 | 85% | 0.845 | S | S | * | * | | | trans | -67.4 | 0 | 173.7 | 29.6 | -36 | 0 | 0 | 0 | 113.3 | | |