| 1 | M | 54.2 | Low | 63.7 | Low | 243 Ų | 243 | 136 Ų | 136 | 100% | 1.197 | 76% | 0.76 | S | S | * | * | | | | 0 | 101.1 | 0 | -59.7 | -63.6 | -167.6 | 0 | 0 | 107.4 | | |
| 2 | H | 59.4 | Low | 63.3 | Low | 197 Ų | 197 | 129.8 Ų | 129.8 | 91% | 0.912 | 73% | 0.733 | S | S | * | * | | | trans | -103.1 | 115.6 | 174.3 | -105.4 | 118.4 | 0 | 0 | 0 | 107.7 | | |
| 3 | T | 68.4 | Low | 63 | Low | 126 Ų | 126 | 127.9 Ų | 127.9 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | | | trans | -81.8 | 123.8 | 174.3 | 5.5 | 0 | 0 | 0 | 0 | 109.1 | T5 | T3-T5 PolarHBondContact O-N 3.49Š|
| 4 | P | 72.7 | Confident | 62.9 | Low | 118 Ų | 118 | 123.1 Ų | 123.1 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | | | trans | -70.6 | 116.8 | 174 | 26.9 | -31.1 | 0 | 0 | 0 | 109.8 | V6 | P4-V6 PolarHBondContact O-N 3.24Š|
| 5 | T | 75.1 | Confident | 62.7 | Low | 139 Ų | 139 | 123.9 Ų | 123.9 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | | | trans | -78.8 | 108.2 | 170.4 | -49.8 | 0 | 0 | 0 | 0 | 108.6 | T3 S7 | T3-T5 PolarHBondContact O-N 3.49Å; T5-S7 PolarHBondContact O-N 3.04Å |
| 6 | V | 65.8 | Low | 62.4 | Low | 119 Ų | 119 | 122.4 Ų | 122.4 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | | | trans | -82.3 | 110.9 | 172.5 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | P4 L8 | P4-V6 PolarHBondContact O-N 3.24Å; V6-L8 PolarHBondContact O-N 2.92Å |
| 7 | S | 66.7 | Low | 62.4 | Low | 76 Ų | 76 | 121.2 Ų | 121.2 | 53% | 0.531 | 69% | 0.693 | S | S | . | * | | | trans | -74.7 | 112.1 | 173.7 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | T5 S9 | T5-S7 PolarHBondContact O-N 3.04Å; S7-S9 PolarHBondContact OG-OG 3.15Å; S7-S9 PolarHBondContact O-N 3.03Å |
| 8 | L | 61.5 | Low | 62.5 | Low | 144 Ų | 144 | 121.8 Ų | 121.8 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -66.8 | 0.5 | 177.3 | -65.5 | 171.6 | 0 | 0 | 0 | 113.7 | V6 H10 V11 | V6-L8 PolarHBondContact O-N 2.92Å; L8-H10 VanDerWaalsContact C-N 3.3Å; L8-H10 PolarHBondContact O-N 2.81Å; L8-V11 PolarHBondContact O-N 3.1Å |
| 9 | S | 61.4 | Low | 62.3 | Low | 74 Ų | 74 | 119.8 Ų | 119.8 | 52% | 0.517 | 69% | 0.686 | S | S | . | * | G | 310 helix | trans | -69.8 | -18.9 | -175.2 | 58.4 | 0 | 0 | 0 | 0 | 114.9 | S7 | S7-S9 PolarHBondContact OG-OG 3.15Å; S7-S9 PolarHBondContact O-N 3.03Å |
| 10 | H | 58.8 | Low | 62 | Low | 168 Ų | 168 | 118.6 Ų | 118.6 | 78% | 0.778 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -97.6 | -0.5 | -178.6 | -69.2 | 132.7 | 0 | 0 | 0 | 114.6 | L8 | L8-H10 VanDerWaalsContact C-N 3.3Å; L8-H10 PolarHBondContact O-N 2.81Å |
| 11 | V | 56.5 | Low | 61.8 | Low | 92 Ų | 92 | 120.6 Ų | 120.6 | 56% | 0.558 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -106 | 43.3 | -177.6 | -160.9 | 0 | 0 | 0 | 0 | 111 | L8 F15 | L8-V11 PolarHBondContact O-N 3.1Å; V11-F15 HydrophobicContact CG1-CD2 3.9Å; V11-F15 HydrophobicContact CG1-CE2 3.78Å |
| 12 | S | 59.7 | Low | 62.1 | Low | 62 Ų | 62 | 114 Ų | 114 | 43% | 0.434 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -125.6 | -43.6 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | A14 F15 T16 | S12-A14 PolarHBondContact O-N 3.43Å; S12-F15 PolarHBondContact O-N 2.96Å; S12-T16 PolarHBondContact O-N 2.99Å; S12-T16 PolarHBondContact O-OG1 3.19Å |
| 13 | T | 59.3 | Low | 62.1 | Low | 105 Ų | 105 | 110.4 Ų | 110.4 | 64% | 0.644 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63.5 | -45.3 | -171.2 | -43.1 | 0 | 0 | 0 | 0 | 113.8 | T16 T17 | T13-T16 PolarHBondContact O-N 2.83Å; T13-T17 PolarHBondContact O-N 3.04Å; T13-T17 VanDerWaalsContact O-N 3.09Å; T13-T17 PolarHBondContact O-OG1 2.77Å |
| 14 | A | 60.6 | Low | 61.7 | Low | 61 Ų | 61 | 113.4 Ų | 113.4 | 50% | 0.504 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68.6 | -36.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S12 T17 L18 | S12-A14 PolarHBondContact O-N 3.43Å; A14-T17 PolarHBondContact O-OG1 2.92Å; A14-T17 PolarHBondContact O-N 3.11Å; A14-T17 WeakPolarHBondContact CA-OG1 3.26Å; A14-L18 WeakPolarHBondContact O-CB 3.3Å; A14-L18 WeakPolarHBondContact O-CD1 3.45Å; A14-L18 WeakPolarHBondContact O-CG 3.3Å; A14-L18 PolarHBondContact O-N 3.09Å |
| 15 | F | 60.4 | Low | 60.9 | Low | 134 Ų | 134 | 116.9 Ų | 116.9 | 59% | 0.588 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.6 | -39 | 176.2 | -90.8 | -86 | 0 | 0 | 0 | 111.9 | V11 S12 T17 L18 C19 | V11-F15 HydrophobicContact CG1-CD2 3.9Å; V11-F15 HydrophobicContact CG1-CE2 3.78Å; S12-F15 PolarHBondContact O-N 2.96Å; F15-T17 VanDerWaalsContact C-N 3.33Å; F15-T17 PolarHBondContact O-N 2.94Å; F15-L18 PolarHBondContact O-N 3.11Å; F15-C19 PolarHBondContact O-N 3.35Å |
| 16 | T | 58.7 | Low | 59.9 | Low | 100 Ų | 100 | 119 Ų | 119 | 61% | 0.613 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.9 | -34 | 174.4 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | S12 T13 C19 | S12-T16 PolarHBondContact O-N 2.99Å; S12-T16 PolarHBondContact O-OG1 3.19Å; T13-T16 PolarHBondContact O-N 2.83Å; T16-C19 CarbonylContact O-C 3.51Å |
| 17 | T | 61.8 | Low | 59.5 | Low | 103 Ų | 103 | 122.5 Ų | 122.5 | 63% | 0.632 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.3 | -29.9 | 174.1 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | T13 A14 F15 | T13-T17 PolarHBondContact O-N 3.04Å; T13-T17 VanDerWaalsContact O-N 3.09Å; T13-T17 PolarHBondContact O-OG1 2.77Å; A14-T17 PolarHBondContact O-OG1 2.92Å; A14-T17 PolarHBondContact O-N 3.11Å; A14-T17 WeakPolarHBondContact CA-OG1 3.26Å; F15-T17 VanDerWaalsContact C-N 3.33Å; F15-T17 PolarHBondContact O-N 2.94Å |
| 18 | L | 63.9 | Low | 59.3 | Low | 132 Ų | 132 | 126.3 Ų | 126.3 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -79.6 | -27.6 | 178.3 | -71.8 | 168.8 | 0 | 0 | 0 | 112.5 | A14 F15 P20 | A14-L18 WeakPolarHBondContact O-CB 3.3Å; A14-L18 WeakPolarHBondContact O-CD1 3.45Å; A14-L18 WeakPolarHBondContact O-CG 3.3Å; A14-L18 PolarHBondContact O-N 3.09Å; F15-L18 PolarHBondContact O-N 3.11Å; L18-P20 VanDerWaalsContact C-CD 3.44Å; L18-P20 WeakPolarHBondContact O-CD 3.33Å |
| 19 | C | 58.8 | Low | 59.2 | Low | 84 Ų | 84 | 124.7 Ų | 124.7 | 57% | 0.568 | 68% | 0.678 | S | S | * | * | | | trans | -117.8 | 77.4 | 174.8 | -86.7 | 0 | 0 | 0 | 0 | 111 | F15 T16 H21 | F15-C19 PolarHBondContact O-N 3.35Å; T16-C19 CarbonylContact O-C 3.51Å; C19-H21 PolarHBondContact O-N 3.18Å |
| 20 | P | 55.7 | Low | 59.2 | Low | 95 Ų | 95 | 129.3 Ų | 129.3 | 62% | 0.617 | 69% | 0.691 | S | S | * | * | | | trans | -70.3 | 7.5 | 168.6 | 30.7 | -33.9 | 0 | 0 | 0 | 112.9 | L18 T22 | L18-P20 VanDerWaalsContact C-CD 3.44Å; L18-P20 WeakPolarHBondContact O-CD 3.33Å; P20-T22 VanDerWaalsContact C-N 3.27Å; P20-T22 PolarHBondContact O-N 2.79Å |
| 21 | H | 57.9 | Low | 59.2 | Low | 161 Ų | 161 | 126.9 Ų | 126.9 | 75% | 0.745 | 69% | 0.688 | S | S | * | * | | | trans | -76.4 | 78.7 | 175.9 | -66.4 | -76.3 | 0 | 0 | 0 | 110.5 | C19 P23 | C19-H21 PolarHBondContact O-N 3.18Å; H21-P23 VanDerWaalsContact O-CD 3.3Å; H21-P23 WeakPolarHBondContact O-CD 3.33Å |
| 22 | T | 61.2 | Low | 59.5 | Low | 105 Ų | 105 | 127.9 Ų | 127.9 | 64% | 0.644 | 70% | 0.696 | S | S | * | * | | | trans | -60.4 | 118.6 | 147.7 | 53 | 0 | 0 | 0 | 0 | 106.3 | P20 K24 | P20-T22 VanDerWaalsContact C-N 3.27Å; P20-T22 PolarHBondContact O-N 2.79Å; T22-K24 PolarHBondContact O-N 2.9Å; T22-K24 VanDerWaalsContact C-N 3.28Å |
| 23 | P | 60.3 | Low | 59.3 | Low | 121 Ų | 121 | 129.9 Ų | 129.9 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | | | trans | -61.9 | 101.1 | 168.3 | 25.3 | -30.4 | 0 | 0 | 0 | 105.9 | H21 Q25 | H21-P23 VanDerWaalsContact O-CD 3.3Å; H21-P23 WeakPolarHBondContact O-CD 3.33Å; P23-Q25 PolarHBondContact O-N 3.04Å |
| 24 | K | 58.4 | Low | 59.1 | Low | 189 Ų | 189 | 129.1 Ų | 129.1 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | | | trans | -60.7 | 111.2 | 170.7 | -76.6 | -150.4 | 174.6 | -174.9 | 0 | 105.3 | T22 Q26 | T22-K24 PolarHBondContact O-N 2.9Å; T22-K24 VanDerWaalsContact C-N 3.28Å; K24-Q26 PolarHBondContact O-N 2.93Å; K24-Q26 VanDerWaalsContact C-N 3.28Å |
| 25 | Q | 55.7 | Low | 58.6 | Low | 190 Ų | 190 | 131.6 Ų | 131.6 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | | | trans | -51.4 | 95.9 | 171.3 | -79 | -178.1 | -21.4 | 0 | 0 | 108.9 | P23 | P23-Q25 PolarHBondContact O-N 3.04Š|
| 26 | Q | 54.4 | Low | 58.4 | Low | 185 Ų | 185 | 130.8 Ų | 130.8 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | | | trans | -137.1 | 60.2 | 149.9 | -75.6 | -165.2 | -19.7 | 0 | 0 | 107 | K24 Q28 | K24-Q26 PolarHBondContact O-N 2.93Å; K24-Q26 VanDerWaalsContact C-N 3.28Å; Q26-Q28 PolarHBondContact O-N 2.79Å; Q26-Q28 VanDerWaalsContact O-N 3.09Å |
| 27 | Q | 58.3 | Low | 58.1 | Low | 191 Ų | 191 | 132.5 Ų | 132.5 | 89% | 0.893 | 73% | 0.73 | S | S | * | * | | | trans | -75 | 83.2 | 147.8 | -72.5 | -173 | -9.8 | 0 | 0 | 105.8 | P29 | Q27-P29 WeakPolarHBondContact O-CD 3.38Š|
| 28 | Q | 62 | Low | 57.2 | Low | 156 Ų | 156 | 130.8 Ų | 130.8 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | | | trans | -62.6 | 124.5 | 159 | -165.1 | 176.1 | 3.4 | 0 | 0 | 105.3 | Q26 H30 | Q26-Q28 PolarHBondContact O-N 2.79Å; Q26-Q28 VanDerWaalsContact O-N 3.09Å; Q28-H30 PolarHBondContact O-N 3.23Å |
| 29 | P | 60.4 | Low | 56.6 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | | | trans | -63.6 | 101.8 | 176.2 | -11.6 | 24.3 | 0 | 0 | 0 | 107.2 | Q27 T31 | Q27-P29 WeakPolarHBondContact O-CD 3.38Å; P29-T31 VanDerWaalsContact C-N 3.27Å; P29-T31 PolarHBondContact O-N 3.33Å |
| 30 | H | 59.5 | Low | 55.7 | Low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | | | trans | -70.6 | 94.4 | 163.4 | -104.6 | -94 | 0 | 0 | 0 | 106.1 | Q28 P32 | Q28-H30 PolarHBondContact O-N 3.23Å; H30-P32 WeakPolarHBondContact O-CD 3.48Å; H30-P32 VanDerWaalsContact O-CD 3.26Å |
| 31 | T | 60.5 | Low | 55.2 | Low | 116 Ų | 116 | 134.1 Ų | 134.1 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | | | trans | -62.5 | 116.2 | 161.9 | 42.2 | 0 | 0 | 0 | 0 | 107.3 | P29 S33 | P29-T31 VanDerWaalsContact C-N 3.27Å; P29-T31 PolarHBondContact O-N 3.33Å; T31-S33 PolarHBondContact O-N 3.49Å |
| 32 | P | 61.5 | Low | 54.4 | Low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | -64.4 | 112.2 | 171.9 | 25.5 | -30.1 | 0 | 0 | 0 | 107.5 | H30 S34 | H30-P32 WeakPolarHBondContact O-CD 3.48Å; H30-P32 VanDerWaalsContact O-CD 3.26Å; P32-S34 PolarHBondContact O-N 3.09Å |
| 33 | S | 57 | Low | 53.6 | Low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | -69.7 | 73.1 | 168.9 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | T31 T35 | T31-S33 PolarHBondContact O-N 3.49Å; S33-T35 PolarHBondContact O-N 3.34Å; S33-T35 VanDerWaalsContact O-N 3.15Å; S33-T35 PolarHBondContact OG-OG1 3.43Å |
| 34 | S | 54.8 | Low | 52.9 | Low | 88 Ų | 88 | 135.9 Ų | 135.9 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | | | trans | -82.1 | 70 | 166.1 | -81.8 | 0 | 0 | 0 | 0 | 109 | P32 L36 | P32-S34 PolarHBondContact O-N 3.09Å; S34-L36 PolarHBondContact O-N 2.95Å; S34-L36 VanDerWaalsContact O-N 3.1Å |
| 35 | T | 49.9 | Very low | 52.5 | Low | 114 Ų | 114 | 131.9 Ų | 131.9 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | | | trans | -80.5 | 64 | 154.9 | 19.5 | 0 | 0 | 0 | 0 | 108.2 | S33 T37 | S33-T35 PolarHBondContact O-N 3.34Å; S33-T35 VanDerWaalsContact O-N 3.15Å; S33-T35 PolarHBondContact OG-OG1 3.43Å; T35-T37 VanDerWaalsContact C-N 3.29Å; T35-T37 PolarHBondContact O-N 2.94Å |
| 36 | L | 55.9 | Low | 52.4 | Low | 116 Ų | 116 | 132.2 Ų | 132.2 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | | | trans | -83 | 78.6 | 163 | -87.6 | 162.8 | 0 | 0 | 0 | 107.5 | S34 S38 | S34-L36 PolarHBondContact O-N 2.95Å; S34-L36 VanDerWaalsContact O-N 3.1Å; L36-S38 PolarHBondContact O-N 2.91Å |
| 37 | T | 51.6 | Low | 52.4 | Low | 137 Ų | 137 | 127.5 Ų | 127.5 | 84% | 0.84 | 71% | 0.707 | S | S | * | * | | | trans | -79.6 | 70.9 | 160.4 | 56.3 | 0 | 0 | 0 | 0 | 107.8 | T35 | T35-T37 VanDerWaalsContact C-N 3.29Å; T35-T37 PolarHBondContact O-N 2.94Å |
| 38 | S | 44.3 | Very low | 52.7 | Low | 67 Ų | 67 | 125.9 Ų | 125.9 | 47% | 0.469 | 70% | 0.704 | S | S | . | * | | | trans | -108 | 104.6 | 167.3 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | L36 H40 | L36-S38 PolarHBondContact O-N 2.91Å; S38-H40 PolarHBondContact O-N 3.25Å; S38-H40 PolarHBondContact OG-N 3.39Å |
| 39 | S | 51.1 | Low | 52.9 | Low | 123 Ų | 123 | 126.3 Ų | 126.3 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | | | trans | -70.9 | 43.7 | 162.5 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 40 | H | 39.9 | Very low | 53.3 | Low | 145 Ų | 145 | 126.9 Ų | 126.9 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | | | trans | -101.7 | 125.1 | 159.3 | -83.4 | 70.7 | 0 | 0 | 0 | 107.9 | S38 Y42 | S38-H40 PolarHBondContact O-N 3.25Å; S38-H40 PolarHBondContact OG-N 3.39Å; H40-Y42 PolarHBondContact O-N 3.49Å |
| 41 | P | 45.5 | Very low | 53.8 | Low | 113 Ų | 113 | 125.4 Ų | 125.4 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -73.4 | 5.7 | -163.3 | 26.9 | -33.6 | 0 | 0 | 0 | 115.6 | | |
| 42 | Y | 40.9 | Very low | 54 | Low | 208 Ų | 208 | 125.9 Ų | 125.9 | 82% | 0.816 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -148.4 | 113.3 | 180 | -66.8 | -84.1 | 0 | 0 | 0 | 109.9 | H40 | H40-Y42 PolarHBondContact O-N 3.49Š|
| 43 | N | 42.8 | Very low | 54.2 | Low | 132 Ų | 132 | 135.4 Ų | 135.4 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | 138.6 | 83.2 | 152.3 | -162.4 | 3.6 | 0 | 0 | 0 | 111.3 | T45 | N43-T45 PolarHBondContact OD1-OG1 3.31Å; N43-T45 VanDerWaalsContact OD1-OG1 3.11Å |
| 44 | T | 47.2 | Very low | 54 | Low | 84 Ų | 84 | 136.9 Ų | 136.9 | 52% | 0.515 | 73% | 0.728 | S | S | . | * | | | trans | -115.1 | 96 | 157.1 | -62.5 | 0 | 0 | 0 | 0 | 106.6 | Y46 | T44-Y46 VanDerWaalsContact O-CD2 3.3Å; T44-Y46 PolarHBondContact O-N 2.82Å; T44-Y46 WeakPolarHBondContact O-CD2 3.17Å; T44-Y46 HydrophobicContact CG2-CE2 3.99Å; T44-Y46 HydrophobicContact CG2-CD2 4.37Å |
| 45 | T | 50.2 | Low | 54 | Low | 104 Ų | 104 | 139.5 Ų | 139.5 | 64% | 0.638 | 73% | 0.734 | S | S | * | * | | | trans | -63.1 | 100.4 | 172.5 | -57.8 | 0 | 0 | 0 | 0 | 108.8 | N43 S47 | N43-T45 PolarHBondContact OD1-OG1 3.31Å; N43-T45 VanDerWaalsContact OD1-OG1 3.11Å; T45-S47 PolarHBondContact O-N 3.33Å |
| 46 | Y | 52.7 | Low | 54.2 | Low | 197 Ų | 197 | 140.9 Ų | 140.9 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | trans | -74.2 | 99.6 | 163.8 | -71.5 | -89.3 | 0 | 0 | 0 | 107.7 | T44 L48 | T44-Y46 VanDerWaalsContact O-CD2 3.3Å; T44-Y46 PolarHBondContact O-N 2.82Å; T44-Y46 WeakPolarHBondContact O-CD2 3.17Å; T44-Y46 HydrophobicContact CG2-CE2 3.99Å; T44-Y46 HydrophobicContact CG2-CD2 4.37Å; Y46-L48 VanDerWaalsContact C-N 3.29Å; Y46-L48 PolarHBondContact O-N 3.04Å |
| 47 | S | 54.6 | Low | 54.1 | Low | 86 Ų | 86 | 142.4 Ų | 142.4 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | | | trans | -68.5 | 91.5 | 165.8 | -65.4 | 0 | 0 | 0 | 0 | 108.7 | T45 H49 | T45-S47 PolarHBondContact O-N 3.33Å; S47-H49 PolarHBondContact O-N 3.38Å; S47-H49 VanDerWaalsContact O-N 3.11Å |
| 48 | L | 64.2 | Low | 54.3 | Low | 158 Ų | 158 | 142.7 Ų | 142.7 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | trans | -64.8 | 101.6 | 161.4 | -89.4 | 152.4 | 0 | 0 | 0 | 107.5 | Y46 T50 | Y46-L48 VanDerWaalsContact C-N 3.29Å; Y46-L48 PolarHBondContact O-N 3.04Å; L48-T50 PolarHBondContact O-N 3.42Å |
| 49 | H | 65.8 | Low | 54.9 | Low | 165 Ų | 165 | 147.7 Ų | 147.7 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | -71.3 | 107.7 | 167.1 | -65.9 | 108.4 | 0 | 0 | 0 | 107.9 | S47 I51 | S47-H49 PolarHBondContact O-N 3.38Å; S47-H49 VanDerWaalsContact O-N 3.11Å; H49-I51 PolarHBondContact O-N 3.25Å |
| 50 | T | 70.6 | Confident | 55.2 | Low | 122 Ų | 122 | 149.5 Ų | 149.5 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -68.7 | 118.2 | 169 | -59.4 | 0 | 0 | 0 | 0 | 108.7 | L48 | L48-T50 PolarHBondContact O-N 3.42Š|
| 51 | I | 69.3 | Low | 56.4 | Low | 141 Ų | 141 | 149.8 Ų | 149.8 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | | | trans | -91.2 | 109.2 | 170.1 | -58.7 | 168.4 | 0 | 0 | 0 | 106.7 | H49 | H49-I51 PolarHBondContact O-N 3.25Š|
| 52 | T | 64.3 | Low | 57.3 | Low | 126 Ų | 126 | 152.9 Ų | 152.9 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -96.3 | 129.8 | 167.7 | 5.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 53 | W | 64.9 | Low | 58.8 | Low | 312 Ų | 312 | 147.9 Ų | 147.9 | 100% | 1.182 | 75% | 0.75 | S | S | * | * | | | trans | -75.8 | 0 | 174.9 | -62.2 | 87.7 | 0 | 0 | 0 | 111.9 | | |