| 1 | M | 38.4 | Very low | 50.2 | Low | 250 Ų | 250 | 139.1 Ų | 139.1 | 100% | 1.232 | 82% | 0.816 | S | S | * | * | | | | 0 | 118.6 | 0 | -65.6 | 176.2 | 172.6 | 0 | 0 | 106.9 | | |
| 2 | N | 55 | Low | 50 | Low | 164 Ų | 164 | 137.3 Ų | 137.3 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -120.9 | 115.9 | -174.4 | -156.7 | 36.4 | 0 | 0 | 0 | 108.5 | P4 | N2-P4 WeakPolarHBondContact O-CD 3.42Š|
| 3 | M | 48.2 | Very low | 50.2 | Low | 177 Ų | 177 | 131.1 Ų | 131.1 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -89.4 | 113.7 | -178.2 | -177.3 | 173.1 | -81.5 | 0 | 0 | 109.2 | S5 | M3-S5 PolarHBondContact O-N 3.33Š|
| 4 | P | 50.4 | Low | 49.9 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -69.5 | 118.4 | 178.4 | 27.5 | -31.1 | 0 | 0 | 0 | 109.4 | N2 T6 | N2-P4 WeakPolarHBondContact O-CD 3.42Å; P4-T6 PolarHBondContact O-N 3.24Å |
| 5 | S | 48.4 | Very low | 49.9 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -79.6 | 108 | 173.9 | -164.9 | 0 | 0 | 0 | 0 | 108.8 | M3 P7 | M3-S5 PolarHBondContact O-N 3.33Å; S5-P7 WeakPolarHBondContact O-CD 3.37Å |
| 6 | T | 50.7 | Low | 49.8 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -70.1 | 118.9 | 172 | -43.1 | 0 | 0 | 0 | 0 | 108.2 | P4 L8 | P4-T6 PolarHBondContact O-N 3.24Å; T6-L8 PolarHBondContact O-N 3.12Å |
| 7 | P | 50.8 | Low | 49.6 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | trans | -68.5 | 108.3 | 172 | 26.6 | -29.5 | 0 | 0 | 0 | 107.5 | S5 A9 | S5-P7 WeakPolarHBondContact O-CD 3.37Å; P7-A9 PolarHBondContact O-N 3.02Å; P7-A9 VanDerWaalsContact O-N 3.12Å |
| 8 | L | 51 | Low | 49.3 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | | | trans | -56.7 | 120.5 | 164.5 | -115.9 | 75.3 | 0 | 0 | 0 | 106.3 | T6 | T6-L8 PolarHBondContact O-N 3.12Š|
| 9 | A | 56.6 | Low | 48.8 | Very low | 74 Ų | 74 | 124.9 Ų | 124.9 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | | | trans | -46.8 | 137.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | P7 T11 | P7-A9 PolarHBondContact O-N 3.02Å; P7-A9 VanDerWaalsContact O-N 3.12Å; A9-T11 VanDerWaalsContact C-N 3.31Å; A9-T11 PolarHBondContact O-N 2.89Å |
| 10 | P | 49.3 | Very low | 48.7 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | | | trans | -57.2 | 105.6 | 171.9 | -6.8 | 17.3 | 0 | 0 | 0 | 105.7 | T12 | P10-T12 PolarHBondContact O-N 2.7Š|
| 11 | T | 52.8 | Low | 48.6 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | | | trans | -72.3 | 88.1 | 166.5 | -57.6 | 0 | 0 | 0 | 0 | 102.7 | A9 G13 | A9-T11 VanDerWaalsContact C-N 3.31Å; A9-T11 PolarHBondContact O-N 2.89Å; T11-G13 PolarHBondContact O-N 2.8Å |
| 12 | T | 48.5 | Very low | 49.1 | Very low | 117 Ų | 117 | 114 Ų | 114 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | | | trans | -61.5 | 81.2 | 165.4 | -56.1 | 0 | 0 | 0 | 0 | 104.8 | P10 T14 | P10-T12 PolarHBondContact O-N 2.7Å; T12-T14 VanDerWaalsContact C-N 3.28Å; T12-T14 PolarHBondContact O-N 2.75Å |
| 13 | G | 52.6 | Low | 48.6 | Very low | 57 Ų | 57 | 110 Ų | 110 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | | | trans | -57.8 | 106.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 104 | T11 A15 | T11-G13 PolarHBondContact O-N 2.8Å; G13-A15 VanDerWaalsContact C-N 3.29Å; G13-A15 PolarHBondContact O-N 2.77Å |
| 14 | T | 45.2 | Very low | 48.6 | Very low | 114 Ų | 114 | 106.8 Ų | 106.8 | 70% | 0.699 | 69% | 0.689 | S | S | * | * | | | trans | -51.4 | 104.2 | 169.2 | -54.7 | 0 | 0 | 0 | 0 | 105.1 | T12 T16 | T12-T14 VanDerWaalsContact C-N 3.28Å; T12-T14 PolarHBondContact O-N 2.75Å; T14-T16 PolarHBondContact O-N 3.31Å; T14-T16 PolarHBondContact O-OG1 2.89Å |
| 15 | A | 50 | Low | 48.2 | Very low | 94 Ų | 94 | 108.2 Ų | 108.2 | 78% | 0.777 | 70% | 0.696 | S | S | * | * | | | trans | -67.4 | 88.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 104.1 | G13 C17 | G13-A15 VanDerWaalsContact C-N 3.29Å; G13-A15 PolarHBondContact O-N 2.77Å; A15-C17 PolarHBondContact O-N 3.14Å |
| 16 | T | 48.1 | Very low | 48.2 | Very low | 105 Ų | 105 | 108.2 Ų | 108.2 | 64% | 0.644 | 69% | 0.691 | S | S | * | * | | | trans | -65.5 | 84.1 | 173 | -51 | 0 | 0 | 0 | 0 | 105.1 | T14 S18 | T14-T16 PolarHBondContact O-N 3.31Å; T14-T16 PolarHBondContact O-OG1 2.89Å; T16-S18 PolarHBondContact O-N 2.72Å; T16-S18 PolarHBondContact O-OG 3.42Å |
| 17 | C | 47 | Very low | 48.1 | Very low | 118 Ų | 118 | 109 Ų | 109 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | | | trans | -69.8 | 71.9 | 169.5 | -169.7 | 0 | 0 | 0 | 0 | 106.4 | A15 W19 | A15-C17 PolarHBondContact O-N 3.14Å; C17-W19 PolarHBondContact O-N 3.05Å |
| 18 | S | 44.6 | Very low | 48.1 | Very low | 42 Ų | 42 | 115 Ų | 115 | 29% | 0.294 | 70% | 0.703 | S | S | . | * | | | trans | -76.5 | 91 | 169 | 30.8 | 0 | 0 | 0 | 0 | 103.9 | T16 S20 A21 S22 | T16-S18 PolarHBondContact O-N 2.72Å; T16-S18 PolarHBondContact O-OG 3.42Å; S18-S20 PolarHBondContact O-N 3.16Å; S18-A21 WeakPolarHBondContact O-CA 3.08Å; S18-A21 PolarHBondContact O-N 2.75Å; S18-A21 WeakPolarHBondContact OG-CB 3.04Å; S18-S22 PolarHBondContact O-N 2.8Å; S18-S22 VanDerWaalsContact O-N 3.1Å |
| 19 | W | 40.1 | Very low | 47.8 | Very low | 197 Ų | 197 | 112.5 Ų | 112.5 | 75% | 0.746 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.4 | -30.4 | 165.9 | -173.3 | -84.1 | 0 | 0 | 0 | 110.8 | C17 W43 | C17-W19 PolarHBondContact O-N 3.05Å; W19-W43 HydrophobicContact CH2-CZ2 4.29Å; W19-W43 HydrophobicContact CZ3-CZ2 4.32Å |
| 20 | S | 46.6 | Very low | 47.6 | Very low | 91 Ų | 91 | 113.9 Ų | 113.9 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -26.3 | 171.7 | 32.1 | 0 | 0 | 0 | 0 | 116.2 | S18 T23 | S18-S20 PolarHBondContact O-N 3.16Å; S20-T23 WeakPolarHBondContact CA-OG1 3.44Å; S20-T23 WeakPolarHBondContact O-CB 3.48Å; S20-T23 PolarHBondContact O-N 3.1Å; S20-T23 PolarHBondContact O-OG1 2.71Å |
| 21 | A | 46.7 | Very low | 47.6 | Very low | 68 Ų | 68 | 111.8 Ų | 111.8 | 56% | 0.562 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -20.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S18 T23 | S18-A21 WeakPolarHBondContact O-CA 3.08Å; S18-A21 PolarHBondContact O-N 2.75Å; S18-A21 WeakPolarHBondContact OG-CB 3.04Å; A21-T23 PolarHBondContact O-N 3.02Å; A21-T23 VanDerWaalsContact O-N 3.16Å |
| 22 | S | 47.7 | Very low | 47.6 | Very low | 111 Ų | 111 | 110.3 Ų | 110.3 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 14 | 163.8 | -148.6 | 0 | 0 | 0 | 0 | 112.3 | S18 | S18-S22 PolarHBondContact O-N 2.8Å; S18-S22 VanDerWaalsContact O-N 3.1Å |
| 23 | T | 45.9 | Very low | 48 | Very low | 81 Ų | 81 | 107.2 Ų | 107.2 | 50% | 0.497 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -91.9 | 106.8 | 172 | -50.2 | 0 | 0 | 0 | 0 | 108 | S20 A21 | S20-T23 WeakPolarHBondContact CA-OG1 3.44Å; S20-T23 WeakPolarHBondContact O-CB 3.48Å; S20-T23 PolarHBondContact O-N 3.1Å; S20-T23 PolarHBondContact O-OG1 2.71Å; A21-T23 PolarHBondContact O-N 3.02Å; A21-T23 VanDerWaalsContact O-N 3.16Å |
| 24 | C | 48.5 | Very low | 47.9 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 73% | 0.73 | 68% | 0.677 | S | S | * | * | | | trans | 65.4 | 59.6 | 140.3 | -55.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 25 | T | 42.2 | Very low | 48.5 | Very low | 142 Ų | 142 | 106.2 Ų | 106.2 | 87% | 0.871 | 67% | 0.671 | S | S | * | * | | | trans | -96.7 | 32.9 | 149.7 | -30.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 26 | T | 47.4 | Very low | 48.9 | Very low | 117 Ų | 117 | 105.1 Ų | 105.1 | 72% | 0.718 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -110.2 | 95.4 | 163.3 | -54.2 | 0 | 0 | 0 | 0 | 106 | R28 | T26-R28 PolarHBondContact O-N 3.02Š|
| 27 | T | 48.5 | Very low | 49.6 | Very low | 132 Ų | 132 | 103 Ų | 103 | 81% | 0.81 | 65% | 0.649 | S | S | * | * | | | trans | -37.1 | 116.2 | 163 | -52.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 28 | R | 50.1 | Low | 50.3 | Low | 239 Ų | 239 | 102 Ų | 102 | 90% | 0.902 | 64% | 0.635 | S | S | * | * | | | trans | -29.9 | 130.8 | -176.9 | -60.7 | 169.6 | 177.1 | -121 | -0.7 | 112.1 | T26 | T26-R28 PolarHBondContact O-N 3.02Š|
| 29 | P | 45.3 | Very low | 50.9 | Low | 107 Ų | 107 | 103.3 Ų | 103.3 | 70% | 0.695 | 64% | 0.643 | S | S | * | * | | | | -128.2 | 141.9 | 95.6 | 33.5 | -24.3 | 0 | 0 | 0 | 112.2 | V31 | P29-V31 PolarHBondContact O-N 3.05Š|
| 30 | A | 51.9 | Low | 51.9 | Low | 103 Ų | 103 | 97.4 Ų | 97.4 | 85% | 0.851 | 63% | 0.632 | S | S | * | * | | | trans | -55.5 | 106.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 31 | V | 50.3 | Low | 52.6 | Low | 73 Ų | 73 | 99.9 Ų | 99.9 | 44% | 0.442 | 63% | 0.627 | S | S | . | * | | | trans | -136.6 | 95.9 | 163.5 | 174.3 | 0 | 0 | 0 | 0 | 106.3 | P29 G33 T34 | P29-V31 PolarHBondContact O-N 3.05Å; V31-G33 PolarHBondContact O-N 2.94Å; V31-T34 WeakPolarHBondContact CB-OG1 3.14Å; V31-T34 HydrophobicContact CG1-CG2 3.98Å; V31-T34 WeakPolarHBondContact CG1-OG1 3.39Å; V31-T34 PolarHBondContact O-N 3.12Å; V31-T34 VanDerWaalsContact O-N 3.13Å; V31-T34 PolarHBondContact O-OG1 3.41Å; V31-T34 VanDerWaalsContact O-OG1 3.12Å |
| 32 | A | 53.6 | Low | 53.3 | Low | 100 Ų | 100 | 101.8 Ų | 101.8 | 83% | 0.826 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -10.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | P36 | A32-P36 VanDerWaalsContact O-CD 3.29Å; A32-P36 WeakPolarHBondContact O-CD 3.29Å; A32-P36 WeakPolarHBondContact O-CG 3.18Å |
| 33 | G | 55.2 | Low | 53.8 | Low | 52 Ų | 52 | 104.6 Ų | 104.6 | 54% | 0.536 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.4 | -16.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | V31 | V31-G33 PolarHBondContact O-N 2.94Š|
| 34 | T | 51.8 | Low | 54.6 | Low | 67 Ų | 67 | 104.2 Ų | 104.2 | 41% | 0.411 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -90 | -29.9 | 178.8 | 30.7 | 0 | 0 | 0 | 0 | 111.8 | V31 A37 L38 | V31-T34 WeakPolarHBondContact CB-OG1 3.14Å; V31-T34 HydrophobicContact CG1-CG2 3.98Å; V31-T34 WeakPolarHBondContact CG1-OG1 3.39Å; V31-T34 PolarHBondContact O-N 3.12Å; V31-T34 VanDerWaalsContact O-N 3.13Å; V31-T34 PolarHBondContact O-OG1 3.41Å; V31-T34 VanDerWaalsContact O-OG1 3.12Å; T34-A37 PolarHBondContact O-N 3.13Å; T34-L38 VanDerWaalsContact O-CB 3.29Å; T34-L38 WeakPolarHBondContact O-CB 3.36Å; T34-L38 WeakPolarHBondContact O-CG 3.16Å; T34-L38 PolarHBondContact O-N 2.88Å |
| 35 | C | 56.9 | Low | 55.1 | Low | 83 Ų | 83 | 107.5 Ų | 107.5 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59.4 | -48.8 | 175.2 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | A37 L38 C39 | C35-A37 PolarHBondContact O-N 2.93Å; C35-L38 PolarHBondContact O-N 3.5Å; C35-C39 VanDerWaalsContact O-CB 3.23Å; C35-C39 WeakPolarHBondContact O-CB 3.36Å; C35-C39 PolarHBondContact O-N 3.41Å; C35-C39 PolarHBondContact O-SG 3.25Å |
| 36 | P | 59.7 | Low | 55.9 | Low | 71 Ų | 71 | 103 Ų | 103 | 46% | 0.461 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.9 | -39 | 178.4 | -19.8 | 31.9 | 0 | 0 | 0 | 113 | A32 S40 | A32-P36 VanDerWaalsContact O-CD 3.29Å; A32-P36 WeakPolarHBondContact O-CD 3.29Å; A32-P36 WeakPolarHBondContact O-CG 3.18Å; P36-S40 VanDerWaalsContact O-CB 3.3Å; P36-S40 WeakPolarHBondContact O-CB 3.4Å; P36-S40 PolarHBondContact O-N 3.17Å; P36-S40 PolarHBondContact O-OG 3.14Å |
| 37 | A | 62.6 | Low | 56 | Low | 60 Ų | 60 | 101.9 Ų | 101.9 | 50% | 0.496 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.7 | -45.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T34 C35 S40 W41 | T34-A37 PolarHBondContact O-N 3.13Å; C35-A37 PolarHBondContact O-N 2.93Å; A37-S40 PolarHBondContact O-N 2.85Å; A37-W41 WeakPolarHBondContact O-CB 3.29Å; A37-W41 PolarHBondContact O-N 2.87Å |
| 38 | L | 60.7 | Low | 56.2 | Low | 98 Ų | 98 | 104.6 Ų | 104.6 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.7 | -41.7 | 176.4 | -75.3 | 169 | 0 | 0 | 0 | 111.8 | T34 C35 W41 I42 | T34-L38 VanDerWaalsContact O-CB 3.29Å; T34-L38 WeakPolarHBondContact O-CB 3.36Å; T34-L38 WeakPolarHBondContact O-CG 3.16Å; T34-L38 PolarHBondContact O-N 2.88Å; C35-L38 PolarHBondContact O-N 3.5Å; L38-W41 PolarHBondContact O-N 2.76Å; L38-I42 WeakPolarHBondContact O-CB 3.23Å; L38-I42 WeakPolarHBondContact O-CD1 3.37Å; L38-I42 WeakPolarHBondContact O-CG1 3.3Å; L38-I42 PolarHBondContact O-N 3.46Å |
| 39 | C | 57.8 | Low | 56.4 | Low | 69 Ų | 69 | 98.2 Ų | 98.2 | 47% | 0.466 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.9 | -49.5 | 174.9 | -72.4 | 0 | 0 | 0 | 0 | 110.8 | C35 W41 I42 W43 | C35-C39 VanDerWaalsContact O-CB 3.23Å; C35-C39 WeakPolarHBondContact O-CB 3.36Å; C35-C39 PolarHBondContact O-N 3.41Å; C35-C39 PolarHBondContact O-SG 3.25Å; C39-W41 VanDerWaalsContact C-N 3.28Å; C39-W41 PolarHBondContact O-N 2.88Å; C39-I42 PolarHBondContact O-N 3.3Å; C39-W43 WeakPolarHBondContact O-CB 3.18Å; C39-W43 PolarHBondContact O-N 3.34Å |
| 40 | S | 60.7 | Low | 56.6 | Low | 73 Ų | 73 | 100.8 Ų | 100.8 | 51% | 0.51 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.9 | -39.4 | 177.7 | -60 | 0 | 0 | 0 | 0 | 112.3 | P36 A37 S44 | P36-S40 VanDerWaalsContact O-CB 3.3Å; P36-S40 WeakPolarHBondContact O-CB 3.4Å; P36-S40 PolarHBondContact O-N 3.17Å; P36-S40 PolarHBondContact O-OG 3.14Å; A37-S40 PolarHBondContact O-N 2.85Å; S40-S44 WeakPolarHBondContact O-CB 3.33Å; S40-S44 PolarHBondContact O-N 3.31Å; S40-S44 PolarHBondContact O-OG 2.96Å |
| 41 | W | 60.6 | Low | 56.6 | Low | 143 Ų | 143 | 101 Ų | 101 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.2 | -41.9 | 178.8 | -178.8 | -101.7 | 0 | 0 | 0 | 112.9 | A37 L38 C39 S44 R45 | A37-W41 WeakPolarHBondContact O-CB 3.29Å; A37-W41 PolarHBondContact O-N 2.87Å; L38-W41 PolarHBondContact O-N 2.76Å; C39-W41 VanDerWaalsContact C-N 3.28Å; C39-W41 PolarHBondContact O-N 2.88Å; W41-S44 PolarHBondContact O-N 2.95Å; W41-R45 VanDerWaalsContact CE2-NE 3.26Å; W41-R45 VanDerWaalsContact CE2-NH2 3.31Å; W41-R45 VanDerWaalsContact CZ2-NH2 3.31Å; W41-R45 WeakPolarHBondContact O-CG 3.48Å; W41-R45 PolarHBondContact O-N 3.32Å |
| 42 | I | 62.9 | Low | 56.6 | Low | 109 Ų | 109 | 101.1 Ų | 101.1 | 56% | 0.559 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.7 | -41.1 | 175.2 | -67 | 161.6 | 0 | 0 | 0 | 110.2 | L38 C39 S44 R45 A46 | L38-I42 WeakPolarHBondContact O-CB 3.23Å; L38-I42 WeakPolarHBondContact O-CD1 3.37Å; L38-I42 WeakPolarHBondContact O-CG1 3.3Å; L38-I42 PolarHBondContact O-N 3.46Å; C39-I42 PolarHBondContact O-N 3.3Å; I42-S44 VanDerWaalsContact C-N 3.31Å; I42-S44 PolarHBondContact O-N 2.73Å; I42-R45 PolarHBondContact O-N 2.91Å; I42-A46 WeakPolarHBondContact O-CB 3.5Å; I42-A46 PolarHBondContact O-N 2.8Å |
| 43 | W | 58.2 | Low | 56.5 | Low | 170 Ų | 170 | 107.2 Ų | 107.2 | 64% | 0.644 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.3 | -36 | 173.9 | -88.1 | 70.7 | 0 | 0 | 0 | 112.7 | W19 C39 | W19-W43 HydrophobicContact CH2-CZ2 4.29Å; W19-W43 HydrophobicContact CZ3-CZ2 4.32Å; C39-W43 WeakPolarHBondContact O-CB 3.18Å; C39-W43 PolarHBondContact O-N 3.34Å |
| 44 | S | 61.7 | Low | 56.6 | Low | 73 Ų | 73 | 106.8 Ų | 106.8 | 51% | 0.51 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.5 | -31.3 | 177.4 | -59.1 | 0 | 0 | 0 | 0 | 113 | S40 W41 I42 | S40-S44 WeakPolarHBondContact O-CB 3.33Å; S40-S44 PolarHBondContact O-N 3.31Å; S40-S44 PolarHBondContact O-OG 2.96Å; W41-S44 PolarHBondContact O-N 2.95Å; I42-S44 VanDerWaalsContact C-N 3.31Å; I42-S44 PolarHBondContact O-N 2.73Å |
| 45 | R | 59.6 | Low | 56.6 | Low | 176 Ų | 176 | 110 Ų | 110 | 66% | 0.664 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -85.2 | -22.7 | 175.3 | -75.2 | -159.2 | -156.7 | 170.8 | 3.8 | 113.7 | W41 I42 | W41-R45 VanDerWaalsContact CE2-NE 3.26Å; W41-R45 VanDerWaalsContact CE2-NH2 3.31Å; W41-R45 VanDerWaalsContact CZ2-NH2 3.31Å; W41-R45 WeakPolarHBondContact O-CG 3.48Å; W41-R45 PolarHBondContact O-N 3.32Å; I42-R45 PolarHBondContact O-N 2.91Å |
| 46 | A | 58.3 | Low | 56.5 | Low | 48 Ų | 48 | 111.6 Ų | 111.6 | 40% | 0.397 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -58.2 | 126 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | I42 W48 | I42-A46 WeakPolarHBondContact O-CB 3.5Å; I42-A46 PolarHBondContact O-N 2.8Å; A46-W48 PolarHBondContact O-N 3.46Å |
| 47 | P | 50 | Low | 56.2 | Low | 93 Ų | 93 | 110.8 Ų | 110.8 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | | | trans | -56.1 | 117.5 | -179.5 | -22.5 | 31.7 | 0 | 0 | 0 | 108.5 | T49 L50 | P47-T49 WeakPolarHBondContact CB-OG1 3.36Å; P47-T49 PolarHBondContact O-N 3.34Å; P47-L50 PolarHBondContact O-N 2.96Å |
| 48 | W | 53.1 | Low | 56 | Low | 190 Ų | 190 | 119.5 Ų | 119.5 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -49.1 | -11.1 | 172.2 | -61.3 | 85.6 | 0 | 0 | 0 | 113.2 | A46 L50 C51 A52 | A46-W48 PolarHBondContact O-N 3.46Å; W48-L50 PolarHBondContact O-N 2.75Å; W48-C51 PolarHBondContact O-N 3.24Å; W48-A52 WeakPolarHBondContact O-CB 3.44Å; W48-A52 PolarHBondContact O-N 3.24Å |
| 49 | T | 52.7 | Low | 55.9 | Low | 104 Ų | 104 | 120.2 Ų | 120.2 | 64% | 0.638 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -48.7 | -33.1 | 169 | -41.6 | 0 | 0 | 0 | 0 | 114.7 | P47 | P47-T49 WeakPolarHBondContact CB-OG1 3.36Å; P47-T49 PolarHBondContact O-N 3.34Å |
| 50 | L | 49.8 | Very low | 55.9 | Low | 161 Ų | 161 | 122 Ų | 122 | 84% | 0.843 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -77.9 | -30.2 | -179.8 | -110.9 | 161.6 | 0 | 0 | 0 | 113.4 | P47 W48 | P47-L50 PolarHBondContact O-N 2.96Å; W48-L50 PolarHBondContact O-N 2.75Å |
| 51 | C | 51.9 | Low | 55.8 | Low | 108 Ų | 108 | 120.9 Ų | 120.9 | 73% | 0.73 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -10.1 | 179.8 | -63.3 | 0 | 0 | 0 | 0 | 113.5 | W48 | W48-C51 PolarHBondContact O-N 3.24Š|
| 52 | A | 51 | Low | 55.5 | Low | 76 Ų | 76 | 122.6 Ų | 122.6 | 63% | 0.628 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -100.1 | 6.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | W48 | W48-A52 WeakPolarHBondContact O-CB 3.44Å; W48-A52 PolarHBondContact O-N 3.24Å |
| 53 | R | 51.2 | Low | 54.9 | Low | 227 Ų | 227 | 123.1 Ų | 123.1 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -115 | 52.8 | 175.1 | -161.7 | 83.4 | 70.1 | 172.7 | 1.6 | 112.4 | | |
| 54 | G | 57.4 | Low | 54.6 | Low | 44 Ų | 44 | 120.6 Ų | 120.6 | 45% | 0.454 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -137.8 | 150.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | S56 | G54-S56 PolarHBondContact O-N 2.71Š|
| 55 | P | 52.3 | Low | 54.1 | Low | 134 Ų | 134 | 122.1 Ų | 122.1 | 87% | 0.87 | 70% | 0.703 | S | S | * | * | | | trans | -58.6 | 100.4 | 161.2 | 23.6 | -22.1 | 0 | 0 | 0 | 104.4 | G57 | P55-G57 PolarHBondContact O-N 2.69Š|
| 56 | S | 54.6 | Low | 53.8 | Low | 116 Ų | 116 | 118 Ų | 118 | 81% | 0.811 | 70% | 0.702 | S | S | * | * | | | trans | -64.6 | 80.8 | 161.6 | -172 | 0 | 0 | 0 | 0 | 102.9 | G54 R58 | G54-S56 PolarHBondContact O-N 2.71Å; S56-R58 PolarHBondContact O-N 2.58Å; S56-R58 VanDerWaalsContact O-N 3.1Å |
| 57 | G | 53.1 | Low | 53.5 | Low | 55 Ų | 55 | 121.2 Ų | 121.2 | 57% | 0.567 | 72% | 0.721 | S | S | * | * | | | trans | -47.4 | 125.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 104.7 | P55 S59 | P55-G57 PolarHBondContact O-N 2.69Å; G57-S59 PolarHBondContact O-N 3.1Å |
| 58 | R | 58.4 | Low | 53.3 | Low | 242 Ų | 242 | 122 Ų | 122 | 91% | 0.913 | 72% | 0.724 | S | S | * | * | | | trans | -51.8 | 83 | 179.5 | -86.3 | 163.3 | 60.1 | -143.7 | 3 | 108.7 | S56 S60 | S56-R58 PolarHBondContact O-N 2.58Å; S56-R58 VanDerWaalsContact O-N 3.1Å; R58-S60 PolarHBondContact O-N 3.06Å |
| 59 | S | 59.4 | Low | 53.5 | Low | 113 Ų | 113 | 118.2 Ų | 118.2 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | | | trans | -97.2 | 52.5 | 158.4 | -161.3 | 0 | 0 | 0 | 0 | 106 | G57 G61 | G57-S59 PolarHBondContact O-N 3.1Å; S59-G61 PolarHBondContact O-N 3.47Å |
| 60 | S | 57.9 | Low | 53.1 | Low | 106 Ų | 106 | 118.9 Ų | 118.9 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | | | trans | -73.1 | 70 | 138.7 | -67.4 | 0 | 0 | 0 | 0 | 105.5 | R58 Q62 | R58-S60 PolarHBondContact O-N 3.06Å; S60-Q62 VanDerWaalsContact C-N 3.27Å; S60-Q62 PolarHBondContact O-N 2.94Å |
| 61 | G | 58.2 | Low | 53.2 | Low | 51 Ų | 51 | 114 Ų | 114 | 53% | 0.526 | 72% | 0.722 | S | S | . | * | | | trans | -53.3 | 109.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 103.8 | S59 T63 | S59-G61 PolarHBondContact O-N 3.47Å; G61-T63 PolarHBondContact O-N 2.71Å |
| 62 | Q | 52.9 | Low | 53.3 | Low | 179 Ų | 179 | 120.8 Ų | 120.8 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | | | trans | -56.9 | 95 | -175.1 | -156.9 | 134.4 | 62.8 | 0 | 0 | 105.7 | S60 T64 | S60-Q62 VanDerWaalsContact C-N 3.27Å; S60-Q62 PolarHBondContact O-N 2.94Å; Q62-T64 PolarHBondContact O-N 2.84Å |
| 63 | T | 51.7 | Low | 53.5 | Low | 119 Ų | 119 | 120.2 Ų | 120.2 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | | | trans | -69.5 | 98 | 170.1 | -59.2 | 0 | 0 | 0 | 0 | 101.7 | G61 S65 | G61-T63 PolarHBondContact O-N 2.71Å; T63-S65 PolarHBondContact O-N 2.69Å |
| 64 | T | 51.3 | Low | 53.6 | Low | 117 Ų | 117 | 118.1 Ų | 118.1 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | | | trans | -56.8 | 89.9 | 164 | -58.3 | 0 | 0 | 0 | 0 | 104.8 | Q62 S66 | Q62-T64 PolarHBondContact O-N 2.84Å; T64-S66 PolarHBondContact O-N 3.38Å |
| 65 | S | 51.3 | Low | 53.2 | Low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -66.8 | 81.5 | 165.4 | -71.9 | 0 | 0 | 0 | 0 | 105.4 | T63 S67 | T63-S65 PolarHBondContact O-N 2.69Å; S65-S67 PolarHBondContact O-N 2.88Å |
| 66 | S | 53.8 | Low | 53.2 | Low | 91 Ų | 91 | 119.9 Ų | 119.9 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | trans | -68.7 | 87.6 | 165.4 | 56.1 | 0 | 0 | 0 | 0 | 106 | T64 V68 | T64-S66 PolarHBondContact O-N 3.38Å; S66-V68 PolarHBondContact O-N 3.5Å |
| 67 | S | 52.3 | Low | 53.3 | Low | 115 Ų | 115 | 117.8 Ų | 117.8 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -66.2 | 94 | 160.6 | -160 | 0 | 0 | 0 | 0 | 105.4 | S65 S69 | S65-S67 PolarHBondContact O-N 2.88Å; S67-S69 PolarHBondContact O-N 2.78Å |
| 68 | V | 45.1 | Very low | 53.4 | Low | 109 Ų | 109 | 120.7 Ų | 120.7 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | | | trans | -67.1 | 85 | 168 | -92.3 | 0 | 0 | 0 | 0 | 106.4 | S66 C70 | S66-V68 PolarHBondContact O-N 3.5Å; V68-C70 VanDerWaalsContact C-N 3.25Å; V68-C70 PolarHBondContact O-N 2.9Å |
| 69 | S | 56.2 | Low | 53.1 | Low | 110 Ų | 110 | 117.8 Ų | 117.8 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -63.1 | 102.7 | 152 | -171.9 | 0 | 0 | 0 | 0 | 104.5 | S67 G71 | S67-S69 PolarHBondContact O-N 2.78Å; S69-G71 PolarHBondContact O-N 3.01Å |
| 70 | C | 45.7 | Very low | 52.6 | Low | 118 Ų | 118 | 116.7 Ų | 116.7 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -67.4 | 66.7 | 169.2 | -68.8 | 0 | 0 | 0 | 0 | 108.4 | V68 R72 | V68-C70 VanDerWaalsContact C-N 3.25Å; V68-C70 PolarHBondContact O-N 2.9Å; C70-R72 PolarHBondContact O-N 3.38Å |
| 71 | G | 51.5 | Low | 52.2 | Low | 58 Ų | 58 | 122.5 Ų | 122.5 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | | | trans | -63 | 117.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | S69 G73 | S69-G71 PolarHBondContact O-N 3.01Å; G71-G73 PolarHBondContact O-N 2.83Å |
| 72 | R | 54.5 | Low | 51.6 | Low | 252 Ų | 252 | 124.8 Ų | 124.8 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -47.3 | 115 | 173.2 | -72.7 | 167.4 | 76 | -108.7 | 8.9 | 108.7 | C70 | C70-R72 PolarHBondContact O-N 3.38Š|
| 73 | G | 54.8 | Low | 51.5 | Low | 63 Ų | 63 | 121 Ų | 121 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 132.6 | 97.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G71 | G71-G73 PolarHBondContact O-N 2.83Š|
| 74 | L | 52.6 | Low | 51.5 | Low | 184 Ų | 184 | 123.3 Ų | 123.3 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 78.5 | 97.6 | 149.3 | -52.6 | 169.5 | 0 | 0 | 0 | 117.7 | | |
| 75 | G | 48.5 | Very low | 51.6 | Low | 85 Ų | 85 | 124.6 Ų | 124.6 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | | | trans | 97.3 | 81.8 | 137.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 76 | C | 53.7 | Low | 51.5 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -94.9 | 131.9 | 155.2 | 83.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 77 | G | 56.3 | Low | 51.8 | Low | 72 Ų | 72 | 123.7 Ų | 123.7 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | 109.8 | 98.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 78 | S | 55.6 | Low | 51.3 | Low | 117 Ų | 117 | 124.5 Ų | 124.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -175.4 | -8.3 | 140.6 | -83.5 | 0 | 0 | 0 | 0 | 115.7 | A80 | S78-A80 PolarHBondContact O-N 3Š|
| 79 | L | 51.8 | Low | 51.2 | Low | 180 Ų | 180 | 129 Ų | 129 | 94% | 0.942 | 83% | 0.827 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 6.5 | -173.4 | -65.3 | 179.3 | 0 | 0 | 0 | 116.7 | | |
| 80 | A | 48.9 | Very low | 51 | Low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 1.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S78 | S78-A80 PolarHBondContact O-N 3Š|
| 81 | R | 48.9 | Very low | 51.3 | Low | 228 Ų | 228 | 130.6 Ų | 130.6 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -95.2 | -10.7 | -177 | -166 | 160.8 | -72.9 | -173.1 | -0.8 | 115 | | |
| 82 | A | 46.8 | Very low | 51.2 | Low | 99 Ų | 99 | 134.6 Ų | 134.6 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -92.4 | -7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 83 | A | 49.9 | Very low | 51.1 | Low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -108 | 10.9 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 84 | Q | 51.7 | Low | 50.8 | Low | 168 Ų | 168 | 131.8 Ų | 131.8 | 79% | 0.785 | 85% | 0.85 | S | S | * | * | | | trans | -102.7 | 25.4 | 178.2 | -67.7 | -165.6 | 105.6 | 0 | 0 | 113.9 | P86 | Q84-P86 VanDerWaalsContact C-CD 3.44Å; Q84-P86 WeakPolarHBondContact O-CD 3.39Å |
| 85 | N | 54 | Low | 50.7 | Low | 145 Ų | 145 | 128.3 Ų | 128.3 | 78% | 0.775 | 84% | 0.842 | S | S | * | * | | | trans | -119.2 | 78 | 176.4 | -142.3 | -22.8 | 0 | 0 | 0 | 111.5 | G87 | N85-G87 PolarHBondContact O-N 2.72Š|
| 86 | P | 49.4 | Very low | 50.9 | Low | 107 Ų | 107 | 131.4 Ų | 131.4 | 70% | 0.695 | 84% | 0.84 | S | S | * | * | | | trans | -78.7 | 109 | 153.1 | 31.9 | -23 | 0 | 0 | 0 | 106.4 | Q84 V88 | Q84-P86 VanDerWaalsContact C-CD 3.44Å; Q84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-V88 PolarHBondContact O-N 3.29Å |
| 87 | G | 59.7 | Low | 50.6 | Low | 69 Ų | 69 | 131.5 Ų | 131.5 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | | | trans | -54.6 | 133.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N85 | N85-G87 PolarHBondContact O-N 2.72Š|
| 88 | V | 40.7 | Very low | 50.2 | Low | 132 Ų | 132 | 136.5 Ų | 136.5 | 80% | 0.8 | 85% | 0.846 | S | S | * | * | | | trans | -147.4 | 119.3 | 161.5 | -152.5 | 0 | 0 | 0 | 0 | 108.8 | P86 | P86-V88 PolarHBondContact O-N 3.29Š|
| 89 | C | 44.4 | Very low | 49.7 | Very low | 204 Ų | 204 | 138.3 Ų | 138.3 | 100% | 1.378 | 85% | 0.848 | S | S | * | * | | | trans | 74 | 0 | 179.5 | -59.3 | 0 | 0 | 0 | 0 | 117.9 | | |