| 1 | M | 45.9 | Very low | 59.5 | Low | 243 Ų | 243 | 156.5 Ų | 156.5 | 100% | 1.197 | 82% | 0.815 | S | S | * | * | | | | 0 | 113.2 | 0 | -87.5 | 178 | 175 | 0 | 0 | 108.8 | | |
| 2 | L | 53.9 | Low | 59.8 | Low | 182 Ų | 182 | 159.6 Ų | 159.6 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | | | trans | -79.1 | 120.1 | 174.1 | -119.5 | 71.2 | 0 | 0 | 0 | 108.7 | K4 | L2-K4 PolarHBondContact O-N 2.98Š|
| 3 | R | 61.5 | Low | 59.7 | Low | 243 Ų | 243 | 160.7 Ų | 160.7 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | | | trans | -72.7 | 118.1 | 172.9 | -71.5 | -165.3 | 175.8 | -165.9 | 0.1 | 108.8 | Q5 | R3-Q5 PolarHBondContact O-N 3.12Š|
| 4 | K | 62.7 | Low | 59 | Low | 207 Ų | 207 | 160.1 Ų | 160.1 | 90% | 0.9 | 79% | 0.788 | S | S | * | * | | | trans | -63.6 | 114.7 | 176 | -142.8 | 177.8 | -174.6 | -176.7 | 0 | 107.9 | L2 A6 | L2-K4 PolarHBondContact O-N 2.98Å; K4-A6 PolarHBondContact O-N 3.44Å |
| 5 | Q | 57.1 | Low | 58.9 | Low | 185 Ų | 185 | 153.9 Ų | 153.9 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -60 | 136.9 | 171 | -93.6 | 176.6 | 15.7 | 0 | 0 | 109 | R3 | R3-Q5 PolarHBondContact O-N 3.12Š|
| 6 | A | 61.6 | Low | 58.8 | Low | 88 Ų | 88 | 156.4 Ų | 156.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | K4 | K4-A6 PolarHBondContact O-N 3.44Š|
| 7 | P | 67.8 | Low | 58.5 | Low | 116 Ų | 116 | 153.3 Ų | 153.3 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 145.5 | 175.9 | 24.9 | -32.3 | 0 | 0 | 0 | 109.9 | N9 | P7-N9 PolarHBondContact O-N 3.02Š|
| 8 | P | 63.5 | Low | 58.1 | Low | 110 Ų | 110 | 152.7 Ų | 152.7 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.3 | 179.7 | 21.6 | -30.8 | 0 | 0 | 0 | 110 | T10 | P8-T10 PolarHBondContact O-N 3.26Å; P8-T10 PolarHBondContact O-OG1 3.06Å |
| 9 | N | 56.9 | Low | 57.6 | Low | 99 Ų | 99 | 156.5 Ų | 156.5 | 53% | 0.529 | 78% | 0.777 | S | S | . | * | P | Polyproline II helix | trans | -52.1 | 128.5 | 175.6 | -178.6 | -28 | 0 | 0 | 0 | 108.5 | P7 D11 W12 | P7-N9 PolarHBondContact O-N 3.02Å; N9-D11 WeakPolarHBondContact OD1-CB 3.47Å; N9-D11 PolarHBondContact OD1-N 3.32Å; N9-D11 PolarHBondContact OD1-OD2 3.18Å; N9-D11 VanDerWaalsContact OD1-OD2 3.07Å; N9-W12 PolarHBondContact O-NE1 3.28Å |
| 10 | T | 56.5 | Low | 57.2 | Low | 102 Ų | 102 | 153.4 Ų | 153.4 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | | | trans | -95 | -7.9 | -175.7 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | P8 W12 R13 | P8-T10 PolarHBondContact O-N 3.26Å; P8-T10 PolarHBondContact O-OG1 3.06Å; T10-W12 VanDerWaalsContact C-N 3.29Å; T10-W12 PolarHBondContact O-N 3.22Å; T10-R13 HydrophobicContact CG2-CG 4.47Å; T10-R13 WeakPolarHBondContact O-CB 3.34Å; T10-R13 PolarHBondContact O-N 2.96Å; T10-R13 VanDerWaalsContact O-N 3.16Å |
| 11 | D | 67.4 | Low | 56.7 | Low | 147 Ų | 147 | 149.3 Ų | 149.3 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -20.2 | -174.5 | -65.2 | -45.8 | 0 | 0 | 0 | 114.2 | N9 R13 | N9-D11 WeakPolarHBondContact OD1-CB 3.47Å; N9-D11 PolarHBondContact OD1-N 3.32Å; N9-D11 PolarHBondContact OD1-OD2 3.18Å; N9-D11 VanDerWaalsContact OD1-OD2 3.07Å; D11-R13 VanDerWaalsContact C-N 3.29Å; D11-R13 PolarHBondContact O-N 2.91Å |
| 12 | W | 63 | Low | 56.8 | Low | 193 Ų | 193 | 143.8 Ų | 143.8 | 73% | 0.731 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -4.6 | 176.6 | 62.6 | -88.9 | 0 | 0 | 0 | 113.5 | N9 T10 F14 | N9-W12 PolarHBondContact O-NE1 3.28Å; T10-W12 VanDerWaalsContact C-N 3.29Å; T10-W12 PolarHBondContact O-N 3.22Å; W12-F14 PolarHBondContact O-N 3.05Å |
| 13 | R | 58.1 | Low | 56.3 | Low | 174 Ų | 174 | 141.2 Ų | 141.2 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -77 | 122 | 178.4 | -63.1 | -153.8 | 74.7 | 155.8 | 4 | 109.6 | T10 D11 S15 | T10-R13 HydrophobicContact CG2-CG 4.47Å; T10-R13 WeakPolarHBondContact O-CB 3.34Å; T10-R13 PolarHBondContact O-N 2.96Å; T10-R13 VanDerWaalsContact O-N 3.16Å; D11-R13 VanDerWaalsContact C-N 3.29Å; D11-R13 PolarHBondContact O-N 2.91Å; R13-S15 PolarHBondContact O-N 3.14Å; R13-S15 VanDerWaalsContact O-N 3.1Å |
| 14 | F | 49.6 | Very low | 55.4 | Low | 153 Ų | 153 | 132.4 Ų | 132.4 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | | | trans | -59.1 | 112.9 | 165.3 | -167.1 | -96.3 | 0 | 0 | 0 | 109.2 | W12 Q16 P20 | W12-F14 PolarHBondContact O-N 3.05Å; F14-Q16 PolarHBondContact O-N 3.09Å; F14-P20 HydrophobicContact CE2-CG 4.07Å; F14-P20 HydrophobicContact CZ-CG 3.6Å |
| 15 | S | 58.1 | Low | 54.6 | Low | 67 Ų | 67 | 127.4 Ų | 127.4 | 47% | 0.469 | 72% | 0.719 | S | S | . | * | | | trans | -61.5 | 106.1 | 174.6 | -89 | 0 | 0 | 0 | 0 | 108.6 | R13 A17 Q18 | R13-S15 PolarHBondContact O-N 3.14Å; R13-S15 VanDerWaalsContact O-N 3.1Å; S15-A17 PolarHBondContact O-N 2.94Å; S15-Q18 PolarHBondContact O-N 3.48Å |
| 16 | Q | 57.2 | Low | 53.8 | Low | 193 Ų | 193 | 126 Ų | 126 | 90% | 0.902 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -16.2 | 179.8 | -158.4 | 179.1 | 45.1 | 0 | 0 | 112.6 | F14 | F14-Q16 PolarHBondContact O-N 3.09Š|
| 17 | A | 54 | Low | 52.8 | Low | 104 Ų | 104 | 127.6 Ų | 127.6 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -15.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S15 | S15-A17 PolarHBondContact O-N 2.94Š|
| 18 | Q | 50.8 | Low | 51.9 | Low | 143 Ų | 143 | 125.5 Ų | 125.5 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | | | trans | -96.1 | 91.8 | 168.8 | -86.3 | 174.5 | -56.2 | 0 | 0 | 108.2 | S15 P20 | S15-Q18 PolarHBondContact O-N 3.48Å; Q18-P20 WeakPolarHBondContact O-CD 3.28Å |
| 19 | R | 48.4 | Very low | 50.9 | Low | 224 Ų | 224 | 126.1 Ų | 126.1 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 125.8 | 156.1 | -82.2 | 176.5 | 148.2 | -131.9 | -2.6 | 106.7 | G21 | R19-G21 PolarHBondContact O-N 3.06Å; R19-G21 VanDerWaalsContact O-N 3.08Å |
| 20 | P | 50.7 | Low | 50.6 | Low | 95 Ų | 95 | 128.9 Ų | 128.9 | 62% | 0.617 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 123.4 | 160.9 | -19.3 | 31.3 | 0 | 0 | 0 | 105.4 | F14 Q18 T22 | F14-P20 HydrophobicContact CE2-CG 4.07Å; F14-P20 HydrophobicContact CZ-CG 3.6Å; Q18-P20 WeakPolarHBondContact O-CD 3.28Å; P20-T22 PolarHBondContact O-N 3.11Å |
| 21 | G | 47.2 | Very low | 49.9 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 144.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | R19 S23 | R19-G21 PolarHBondContact O-N 3.06Å; R19-G21 VanDerWaalsContact O-N 3.08Å; G21-S23 PolarHBondContact O-N 3.37Å |
| 22 | T | 47.5 | Very low | 49.3 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | | | trans | -49.9 | 114.8 | 175.3 | 49.4 | 0 | 0 | 0 | 0 | 108.3 | P20 G24 | P20-T22 PolarHBondContact O-N 3.11Å; T22-G24 VanDerWaalsContact C-N 3.33Å; T22-G24 PolarHBondContact O-N 2.97Å |
| 23 | S | 43.6 | Very low | 48.4 | Very low | 129 Ų | 129 | 120.8 Ų | 120.8 | 90% | 0.902 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -59.9 | 101.5 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | G21 | G21-S23 PolarHBondContact O-N 3.37Š|
| 24 | G | 42.1 | Very low | 47.9 | Very low | 58 Ų | 58 | 123.6 Ų | 123.6 | 60% | 0.598 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 179.8 | 97.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | T22 | T22-G24 VanDerWaalsContact C-N 3.33Å; T22-G24 PolarHBondContact O-N 2.97Å |
| 25 | S | 45.1 | Very low | 47.8 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | | | trans | 82.1 | 54.8 | -172.1 | -136 | 0 | 0 | 0 | 0 | 115.6 | N27 | S25-N27 VanDerWaalsContact C-N 3.31Å; S25-N27 PolarHBondContact O-N 2.69Å |
| 26 | Q | 41.5 | Very low | 47.4 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | | | trans | -77.6 | 95.2 | 150.8 | -167.4 | 168.7 | -4.9 | 0 | 0 | 106.1 | G28 | Q26-G28 PolarHBondContact O-N 3.22Š|
| 27 | N | 39.3 | Very low | 47.6 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 65% | 0.652 | 71% | 0.714 | S | S | * | * | | | trans | -59.3 | 118.9 | 165.7 | -68.5 | -54.4 | 0 | 0 | 0 | 107.2 | S25 D29 | S25-N27 VanDerWaalsContact C-N 3.31Å; S25-N27 PolarHBondContact O-N 2.69Å; N27-D29 VanDerWaalsContact C-N 3.29Å; N27-D29 PolarHBondContact O-N 2.73Å |
| 28 | G | 48.9 | Very low | 47.6 | Very low | 72 Ų | 72 | 120.6 Ų | 120.6 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | S | Bend | | 61.7 | -1.8 | 126.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | Q26 | Q26-G28 PolarHBondContact O-N 3.22Š|
| 29 | D | 42.7 | Very low | 47.7 | Very low | 124 Ų | 124 | 122 Ų | 122 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | | | trans | -129.4 | 109.4 | -170.5 | -19.6 | -34.1 | 0 | 0 | 0 | 111.7 | N27 T31 | N27-D29 VanDerWaalsContact C-N 3.29Å; N27-D29 PolarHBondContact O-N 2.73Å; D29-T31 VanDerWaalsContact C-N 3.3Å; D29-T31 PolarHBondContact O-N 2.93Å |
| 30 | D | 50.3 | Low | 48.6 | Very low | 156 Ų | 156 | 115.5 Ų | 115.5 | 83% | 0.834 | 69% | 0.689 | S | S | * | * | | | trans | -60 | 64.6 | -177.3 | -73 | -76.1 | 0 | 0 | 0 | 115.4 | | |
| 31 | T | 43.6 | Very low | 49.1 | Very low | 111 Ų | 111 | 113.6 Ų | 113.6 | 68% | 0.681 | 68% | 0.676 | S | S | * | * | | | trans | -144.6 | 60.9 | 170.1 | -39.4 | 0 | 0 | 0 | 0 | 112.6 | D29 T33 | D29-T31 VanDerWaalsContact C-N 3.3Å; D29-T31 PolarHBondContact O-N 2.93Å; T31-T33 WeakPolarHBondContact CG2-OG1 3.4Å |
| 32 | G | 53.9 | Low | 50 | Low | 76 Ų | 76 | 115.8 Ų | 115.8 | 78% | 0.784 | 67% | 0.668 | S | S | * | * | | | trans | -93.5 | 34.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 33 | T | 43 | Very low | 51.3 | Low | 86 Ų | 86 | 115.4 Ų | 115.4 | 53% | 0.528 | 66% | 0.659 | S | S | . | * | | | trans | -94 | 132.1 | -174.2 | 51 | 0 | 0 | 0 | 0 | 109.8 | T31 | T31-T33 WeakPolarHBondContact CG2-OG1 3.4Š|
| 34 | W | 48.7 | Very low | 53 | Low | 233 Ų | 233 | 114 Ų | 114 | 88% | 0.883 | 64% | 0.641 | S | S | * | * | | | trans | -33.7 | 142.6 | 154.7 | -74.5 | 71.9 | 0 | 0 | 0 | 110.1 | N36 | W34-N36 VanDerWaalsContact C-N 3.29Å; W34-N36 WeakPolarHBondContact O-CA 3.4Å; W34-N36 PolarHBondContact O-N 2.81Å |
| 35 | P | 47.7 | Very low | 54.4 | Low | 111 Ų | 111 | 117.9 Ų | 117.9 | 72% | 0.721 | 64% | 0.643 | S | S | * | * | | | trans | -53.1 | 99.1 | -179.7 | 21.3 | -31.2 | 0 | 0 | 0 | 108.7 | N37 | P35-N37 PolarHBondContact O-N 3.17Å; P35-N37 VanDerWaalsContact O-N 3.13Å |
| 36 | N | 50.2 | Low | 55.4 | Low | 109 Ų | 109 | 115.8 Ų | 115.8 | 58% | 0.583 | 63% | 0.632 | S | S | * | * | | | trans | -84.8 | 95.3 | -174.1 | -170.8 | -63.7 | 0 | 0 | 0 | 104.3 | W34 Q38 T41 | W34-N36 VanDerWaalsContact C-N 3.29Å; W34-N36 WeakPolarHBondContact O-CA 3.4Å; W34-N36 PolarHBondContact O-N 2.81Å; N36-Q38 VanDerWaalsContact C-N 3.32Å; N36-Q38 PolarHBondContact O-N 3.37Å; N36-T41 PolarHBondContact OD1-OG1 2.94Å; N36-T41 VanDerWaalsContact OD1-OG1 3.05Å |
| 37 | N | 60 | Low | 56.9 | Low | 99 Ų | 99 | 114.8 Ų | 114.8 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | | | trans | -68.3 | 95.7 | 175 | -70.2 | -63.1 | 0 | 0 | 0 | 107.6 | P35 F39 D40 T41 | P35-N37 PolarHBondContact O-N 3.17Å; P35-N37 VanDerWaalsContact O-N 3.13Å; N37-F39 PolarHBondContact O-N 3.49Å; N37-D40 HydrophobicContact CB-CB 4.31Å; N37-D40 PolarHBondContact O-N 3.16Å; N37-T41 PolarHBondContact O-N 2.83Å; N37-T41 PolarHBondContact O-OG1 3.08Å |
| 38 | Q | 54 | Low | 58.6 | Low | 134 Ų | 134 | 114.5 Ų | 114.5 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -51.6 | -32.4 | -175.6 | -171.2 | 168.4 | -18.8 | 0 | 0 | 112.8 | N36 T41 E42 | N36-Q38 VanDerWaalsContact C-N 3.32Å; N36-Q38 PolarHBondContact O-N 3.37Å; Q38-T41 PolarHBondContact O-N 2.97Å; Q38-E42 WeakPolarHBondContact O-CG 3.19Å; Q38-E42 PolarHBondContact O-N 3.47Å; Q38-E42 VanDerWaalsContact O-N 3.14Å |
| 39 | F | 52.7 | Low | 59.7 | Low | 173 Ų | 173 | 117 Ų | 117 | 76% | 0.759 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | 175.5 | -63.2 | -72 | 0 | 0 | 0 | 114.1 | N37 T41 M43 | N37-F39 PolarHBondContact O-N 3.49Å; F39-T41 VanDerWaalsContact C-N 3.33Å; F39-M43 PolarHBondContact O-N 2.85Å; F39-M43 VanDerWaalsContact O-N 3.12Å |
| 40 | D | 67.9 | Low | 60.3 | Low | 88 Ų | 88 | 113.8 Ų | 113.8 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.6 | -36.9 | 177.6 | -78.5 | -26.3 | 0 | 0 | 0 | 110.6 | N37 M43 L44 | N37-D40 HydrophobicContact CB-CB 4.31Å; N37-D40 PolarHBondContact O-N 3.16Å; D40-M43 PolarHBondContact O-N 3.1Å; D40-L44 WeakPolarHBondContact O-CB 3.23Å; D40-L44 VanDerWaalsContact O-CG 3.29Å; D40-L44 WeakPolarHBondContact O-CG 3.49Å; D40-L44 PolarHBondContact O-N 2.97Å |
| 41 | T | 60.5 | Low | 60.4 | Low | 54 Ų | 54 | 109.8 Ų | 109.8 | 33% | 0.331 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65 | -39.7 | 180 | -41.8 | 0 | 0 | 0 | 0 | 111.4 | N36 N37 Q38 F39 Q45 | N36-T41 PolarHBondContact OD1-OG1 2.94Å; N36-T41 VanDerWaalsContact OD1-OG1 3.05Å; N37-T41 PolarHBondContact O-N 2.83Å; N37-T41 PolarHBondContact O-OG1 3.08Å; Q38-T41 PolarHBondContact O-N 2.97Å; F39-T41 VanDerWaalsContact C-N 3.33Å; T41-Q45 WeakPolarHBondContact O-CB 2.85Å; T41-Q45 PolarHBondContact O-N 2.85Å; T41-Q45 VanDerWaalsContact O-N 3.07Å |
| 42 | E | 66.9 | Low | 60.8 | Low | 114 Ų | 114 | 107.8 Ų | 107.8 | 53% | 0.533 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70.8 | -42.4 | 175.5 | -71 | -178.8 | 156.9 | 0 | 0 | 112.4 | Q38 L44 Q45 A46 | Q38-E42 WeakPolarHBondContact O-CG 3.19Å; Q38-E42 PolarHBondContact O-N 3.47Å; Q38-E42 VanDerWaalsContact O-N 3.14Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.36Å; E42-Q45 PolarHBondContact O-N 3.49Å; E42-A46 WeakPolarHBondContact O-CB 3.39Å; E42-A46 PolarHBondContact O-N 3.42Å |
| 43 | M | 73.9 | Confident | 60.7 | Low | 119 Ų | 119 | 108.4 Ų | 108.4 | 59% | 0.586 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.7 | -42.2 | 176.7 | -171.1 | -176 | 78.9 | 0 | 0 | 111.6 | F39 D40 A46 M47 | F39-M43 PolarHBondContact O-N 2.85Å; F39-M43 VanDerWaalsContact O-N 3.12Å; D40-M43 PolarHBondContact O-N 3.1Å; M43-A46 PolarHBondContact O-N 3.22Å; M43-M47 WeakPolarHBondContact O-CB 3.16Å; M43-M47 PolarHBondContact O-N 2.61Å |
| 44 | L | 80.7 | Confident | 61.1 | Low | 100 Ų | 100 | 112.3 Ų | 112.3 | 52% | 0.524 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.3 | -43.8 | 174.6 | -77.6 | 168.7 | 0 | 0 | 0 | 111.5 | D40 E42 A46 M47 I48 | D40-L44 WeakPolarHBondContact O-CB 3.23Å; D40-L44 VanDerWaalsContact O-CG 3.29Å; D40-L44 WeakPolarHBondContact O-CG 3.49Å; D40-L44 PolarHBondContact O-N 2.97Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.36Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 3.23Å; L44-M47 PolarHBondContact O-N 3.41Å; L44-I48 WeakPolarHBondContact O-CD1 3.44Å; L44-I48 VanDerWaalsContact O-CG1 3.25Å; L44-I48 WeakPolarHBondContact O-CG1 3.5Å; L44-I48 PolarHBondContact O-N 3.43Å |
| 45 | Q | 70.3 | Confident | 61.1 | Low | 138 Ų | 138 | 105.5 Ų | 105.5 | 65% | 0.645 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.9 | -41.6 | 177.3 | -134.8 | 162.7 | 105.5 | 0 | 0 | 111.6 | T41 E42 L49 | T41-Q45 WeakPolarHBondContact O-CB 2.85Å; T41-Q45 PolarHBondContact O-N 2.85Å; T41-Q45 VanDerWaalsContact O-N 3.07Å; E42-Q45 PolarHBondContact O-N 3.49Å; Q45-L49 WeakPolarHBondContact O-CB 3.4Å; Q45-L49 PolarHBondContact O-N 3.07Å; Q45-L49 VanDerWaalsContact O-N 3.07Å |
| 46 | A | 66.1 | Low | 61.1 | Low | 58 Ų | 58 | 104 Ų | 104 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.5 | -41.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E42 M43 L44 I48 L49 A50 | E42-A46 WeakPolarHBondContact O-CB 3.39Å; E42-A46 PolarHBondContact O-N 3.42Å; M43-A46 PolarHBondContact O-N 3.22Å; L44-A46 VanDerWaalsContact C-N 3.33Å; L44-A46 PolarHBondContact O-N 3.23Å; A46-I48 PolarHBondContact O-N 3.27Å; A46-L49 PolarHBondContact O-N 2.78Å; A46-A50 VanDerWaalsContact O-CB 3.23Å; A46-A50 WeakPolarHBondContact O-CB 3.43Å; A46-A50 PolarHBondContact O-N 3.39Å |
| 47 | M | 74.2 | Confident | 60.9 | Low | 134 Ų | 134 | 106.5 Ų | 106.5 | 66% | 0.66 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.1 | -39.1 | 178.1 | -173.3 | 175.8 | 177.4 | 0 | 0 | 111.9 | M43 L44 S51 | M43-M47 WeakPolarHBondContact O-CB 3.16Å; M43-M47 PolarHBondContact O-N 2.61Å; L44-M47 PolarHBondContact O-N 3.41Å; M47-S51 WeakPolarHBondContact O-CB 3.25Å; M47-S51 PolarHBondContact O-N 3.33Å; M47-S51 PolarHBondContact O-OG 3.2Å |
| 48 | I | 73.5 | Confident | 60.1 | Low | 116 Ų | 116 | 105 Ų | 105 | 60% | 0.595 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.4 | -48.7 | 173.6 | -68.1 | 163.4 | 0 | 0 | 0 | 110.3 | L44 A46 S51 A52 | L44-I48 WeakPolarHBondContact O-CD1 3.44Å; L44-I48 VanDerWaalsContact O-CG1 3.25Å; L44-I48 WeakPolarHBondContact O-CG1 3.5Å; L44-I48 PolarHBondContact O-N 3.43Å; A46-I48 PolarHBondContact O-N 3.27Å; I48-S51 PolarHBondContact O-N 2.49Å; I48-S51 PolarHBondContact O-OG 3.2Å; I48-A52 PolarHBondContact O-N 2.65Å; I48-A52 VanDerWaalsContact O-N 3.13Å |
| 49 | L | 73.3 | Confident | 60.1 | Low | 125 Ų | 125 | 104.4 Ų | 104.4 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.5 | -37.8 | -178.9 | -172.4 | 62.6 | 0 | 0 | 0 | 112.7 | Q45 A46 A52 S53 | Q45-L49 WeakPolarHBondContact O-CB 3.4Å; Q45-L49 PolarHBondContact O-N 3.07Å; Q45-L49 VanDerWaalsContact O-N 3.07Å; A46-L49 PolarHBondContact O-N 2.78Å; L49-A52 PolarHBondContact O-N 2.82Å; L49-S53 PolarHBondContact O-OG 3.29Å |
| 50 | A | 54.5 | Low | 59.5 | Low | 55 Ų | 55 | 101.9 Ų | 101.9 | 46% | 0.455 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.2 | -47.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A46 A52 S53 | A46-A50 VanDerWaalsContact O-CB 3.23Å; A46-A50 WeakPolarHBondContact O-CB 3.43Å; A46-A50 PolarHBondContact O-N 3.39Å; A50-A52 VanDerWaalsContact C-N 3.27Å; A50-A52 PolarHBondContact O-N 2.85Å; A50-S53 PolarHBondContact O-N 3.22Å |
| 51 | S | 53.7 | Low | 58.5 | Low | 73 Ų | 73 | 102.9 Ų | 102.9 | 51% | 0.51 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.1 | -27 | 179.3 | 71.9 | 0 | 0 | 0 | 0 | 114 | M47 I48 S53 | M47-S51 WeakPolarHBondContact O-CB 3.25Å; M47-S51 PolarHBondContact O-N 3.33Å; M47-S51 PolarHBondContact O-OG 3.2Å; I48-S51 PolarHBondContact O-N 2.49Å; I48-S51 PolarHBondContact O-OG 3.2Å; S51-S53 VanDerWaalsContact C-N 3.29Å; S51-S53 PolarHBondContact O-N 3.25Å |
| 52 | A | 51.7 | Low | 58 | Low | 69 Ų | 69 | 108.5 Ų | 108.5 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -72.2 | -22.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | I48 L49 A50 | I48-A52 PolarHBondContact O-N 2.65Å; I48-A52 VanDerWaalsContact O-N 3.13Å; L49-A52 PolarHBondContact O-N 2.82Å; A50-A52 VanDerWaalsContact C-N 3.27Å; A50-A52 PolarHBondContact O-N 2.85Å |
| 53 | S | 51.3 | Low | 56.7 | Low | 88 Ų | 88 | 106.9 Ų | 106.9 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -88 | -20.5 | -177.1 | -56.8 | 0 | 0 | 0 | 0 | 113 | L49 A50 S51 | L49-S53 PolarHBondContact O-OG 3.29Å; A50-S53 PolarHBondContact O-N 3.22Å; S51-S53 VanDerWaalsContact C-N 3.29Å; S51-S53 PolarHBondContact O-N 3.25Å |
| 54 | E | 51.6 | Low | 55.7 | Low | 169 Ų | 169 | 105.4 Ų | 105.4 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -9.4 | -175.7 | -54 | -174.3 | 135 | 0 | 0 | 113.8 | | |
| 55 | A | 48 | Very low | 54.1 | Low | 89 Ų | 89 | 104.3 Ų | 104.3 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 0.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 56 | A | 47.5 | Very low | 53 | Low | 79 Ų | 79 | 102.8 Ų | 102.8 | 65% | 0.653 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -90.2 | -23.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 57 | D | 47.5 | Very low | 52.4 | Low | 162 Ų | 162 | 102.6 Ų | 102.6 | 87% | 0.866 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -125.8 | 72.9 | -172 | -68.6 | -33.9 | 0 | 0 | 0 | 112.3 | | |
| 58 | G | 42.6 | Very low | 51.4 | Low | 68 Ų | 68 | 102.8 Ų | 102.8 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | trans | 166.9 | 92 | 169 | 0 | 0 | 0 | 0 | 0 | 116.6 | S60 | G58-S60 PolarHBondContact O-N 3.44Š|
| 59 | S | 54 | Low | 50.4 | Low | 122 Ų | 122 | 106.1 Ų | 106.1 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | | | trans | -29.8 | 116.7 | 155.2 | 178.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 60 | S | 40.5 | Very low | 49.3 | Very low | 119 Ų | 119 | 102 Ų | 102 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | | | trans | -152 | 105.7 | 151.8 | -139.1 | 0 | 0 | 0 | 0 | 112.6 | G58 | G58-S60 PolarHBondContact O-N 3.44Š|
| 61 | T | 46.8 | Very low | 49.2 | Very low | 109 Ų | 109 | 104.3 Ų | 104.3 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | | | trans | -69.2 | 128.8 | 165 | 152.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 62 | L | 50.2 | Low | 49.1 | Very low | 172 Ų | 172 | 106 Ų | 106 | 90% | 0.901 | 74% | 0.743 | S | S | * | * | | | trans | 65.9 | 111.6 | 154 | -76.8 | 156.5 | 0 | 0 | 0 | 119 | | |
| 63 | G | 39.8 | Very low | 49 | Very low | 80 Ų | 80 | 106.9 Ų | 106.9 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | | | trans | 177.7 | 97 | 157 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 64 | G | 51.5 | Low | 48.8 | Very low | 89 Ų | 89 | 112.7 Ų | 112.7 | 92% | 0.918 | 76% | 0.76 | S | S | * | * | | | trans | -69.3 | 167.7 | -169 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 65 | G | 47.5 | Very low | 48.4 | Very low | 76 Ų | 76 | 112.4 Ų | 112.4 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | | | trans | 140 | 104.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 66 | A | 48.3 | Very low | 48.6 | Very low | 107 Ų | 107 | 110.5 Ų | 110.5 | 88% | 0.884 | 74% | 0.742 | S | S | * | * | | | trans | 64.4 | 110.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 67 | G | 53.5 | Low | 49 | Very low | 54 Ų | 54 | 112.3 Ų | 112.3 | 56% | 0.557 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 94.2 | 110.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | M69 | G67-M69 VanDerWaalsContact C-N 3.28Å; G67-M69 PolarHBondContact O-N 3.13Å |
| 68 | T | 51.3 | Low | 49.1 | Very low | 138 Ų | 138 | 112.6 Ų | 112.6 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 62.9 | -18.9 | 156.7 | 68.8 | 0 | 0 | 0 | 0 | 120.8 | G70 | T68-G70 PolarHBondContact O-N 3.46Š|
| 69 | M | 52.5 | Low | 49.6 | Very low | 185 Ų | 185 | 115 Ų | 115 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 61.7 | -175.4 | -79.4 | -175 | -79 | 0 | 0 | 114.6 | G67 | G67-M69 VanDerWaalsContact C-N 3.28Å; G67-M69 PolarHBondContact O-N 3.13Å |
| 70 | G | 52.1 | Low | 49.3 | Very low | 40 Ų | 40 | 112.9 Ų | 112.9 | 41% | 0.412 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -169.1 | 0.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | T68 | T68-G70 PolarHBondContact O-N 3.46Š|
| 71 | L | 52.3 | Low | 50.1 | Low | 102 Ų | 102 | 113.8 Ų | 113.8 | 53% | 0.534 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -74.1 | -28.9 | -177.2 | -71 | 166.2 | 0 | 0 | 0 | 112.8 | A73 | L71-A73 VanDerWaalsContact C-N 3.31Å; L71-A73 PolarHBondContact O-N 3.29Å |
| 72 | S | 51.1 | Low | 50.6 | Low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -21.9 | 178.7 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 73 | A | 49.1 | Very low | 51 | Low | 88 Ų | 88 | 113.6 Ų | 113.6 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -13.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L71 | L71-A73 VanDerWaalsContact C-N 3.31Å; L71-A73 PolarHBondContact O-N 3.29Å |
| 74 | R | 48.3 | Very low | 52.2 | Low | 211 Ų | 211 | 115.3 Ų | 115.3 | 80% | 0.796 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | -18.6 | -170.8 | -69.2 | -82.8 | -90.7 | -83.3 | -2.4 | 114.2 | | |
| 75 | Y | 43 | Very low | 52.8 | Low | 162 Ų | 162 | 113.5 Ų | 113.5 | 64% | 0.635 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -130.5 | 135.4 | 169.5 | -63.1 | -83 | 0 | 0 | 0 | 106.5 | | |
| 76 | G | 51.4 | Low | 53.8 | Low | 50 Ų | 50 | 113.8 Ų | 113.8 | 52% | 0.515 | 65% | 0.647 | S | S | . | * | | | trans | -54.9 | -179.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q78 F79 | G76-Q78 PolarHBondContact O-N 2.84Å; G76-F79 PolarHBondContact O-N 3Å |
| 77 | P | 55.6 | Low | 55.1 | Low | 116 Ų | 116 | 115.7 Ų | 115.7 | 75% | 0.753 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 5.1 | -165.1 | 24.9 | -36.4 | 0 | 0 | 0 | 117 | | |
| 78 | Q | 50.8 | Low | 55.8 | Low | 169 Ų | 169 | 119.8 Ų | 119.8 | 79% | 0.79 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -7.9 | -178.6 | -53.7 | -64.4 | -32 | 0 | 0 | 113.8 | G76 T80 | G76-Q78 PolarHBondContact O-N 2.84Å; Q78-T80 PolarHBondContact O-N 3.5Å |
| 79 | F | 51.3 | Low | 56.7 | Low | 117 Ų | 117 | 118.6 Ų | 118.6 | 51% | 0.513 | 62% | 0.616 | S | S | . | * | | | trans | -89.9 | 45 | 171.9 | -143.9 | -88.8 | 0 | 0 | 0 | 111.5 | G76 L81 | G76-F79 PolarHBondContact O-N 3Å; F79-L81 HydrophobicContact CE1-CD1 3.91Å; F79-L81 PolarHBondContact O-N 3.06Å |
| 80 | T | 49.5 | Very low | 57.9 | Low | 79 Ų | 79 | 115.5 Ų | 115.5 | 49% | 0.485 | 60% | 0.604 | S | S | . | * | | | trans | -71.4 | 122.5 | 161.3 | 44.2 | 0 | 0 | 0 | 0 | 106.2 | Q78 Q82 | Q78-T80 PolarHBondContact O-N 3.5Å; T80-Q82 VanDerWaalsContact CB-NE2 3.28Å; T80-Q82 PolarHBondContact O-N 3.07Å; T80-Q82 PolarHBondContact O-OE1 3.24Å; T80-Q82 PolarHBondContact OG1-OE1 3.39Å |
| 81 | L | 56.7 | Low | 59.3 | Low | 138 Ų | 138 | 118 Ų | 118 | 72% | 0.723 | 61% | 0.611 | S | S | * | * | | | trans | -69.7 | 73.4 | -175.6 | -154.4 | 78.7 | 0 | 0 | 0 | 109.5 | F79 H83 | F79-L81 HydrophobicContact CE1-CD1 3.91Å; F79-L81 PolarHBondContact O-N 3.06Å; L81-H83 PolarHBondContact O-N 3.48Å |
| 82 | Q | 57.8 | Low | 60.6 | Low | 134 Ų | 134 | 121.9 Ų | 121.9 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | | | trans | -81.1 | 26.1 | 174.7 | -86 | 72 | 66.3 | 0 | 0 | 112.8 | T80 V84 | T80-Q82 VanDerWaalsContact CB-NE2 3.28Å; T80-Q82 PolarHBondContact O-N 3.07Å; T80-Q82 PolarHBondContact O-OE1 3.24Å; T80-Q82 PolarHBondContact OG1-OE1 3.39Å; Q82-V84 PolarHBondContact O-N 3.42Å |
| 83 | H | 58.4 | Low | 62 | Low | 142 Ų | 142 | 120.9 Ų | 120.9 | 66% | 0.657 | 61% | 0.605 | S | S | * | * | | | trans | -72.6 | 82.6 | 160 | -174 | 55.1 | 0 | 0 | 0 | 108 | L81 P85 | L81-H83 PolarHBondContact O-N 3.48Å; H83-P85 WeakPolarHBondContact O-CD 3.35Å |
| 84 | V | 63.7 | Low | 63.3 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 71% | 0.709 | 60% | 0.602 | S | S | * | * | | | trans | -66.8 | 112.8 | 160.8 | -178.3 | 0 | 0 | 0 | 0 | 104.8 | Q82 D86 | Q82-V84 PolarHBondContact O-N 3.42Å; V84-D86 PolarHBondContact O-N 2.93Å; V84-D86 VanDerWaalsContact O-N 3.11Å |
| 85 | P | 64.9 | Low | 64.8 | Low | 51 Ų | 51 | 115.9 Ų | 115.9 | 33% | 0.331 | 61% | 0.608 | S | S | . | * | | | trans | -60.8 | 123.1 | -177.6 | -20.5 | 33.4 | 0 | 0 | 0 | 108.4 | H83 Y87 | H83-P85 WeakPolarHBondContact O-CD 3.35Å; P85-Y87 VanDerWaalsContact C-N 3.33Å; P85-Y87 HydrophobicContact CB-CD1 4.3Å; P85-Y87 HydrophobicContact CB-CE1 3.77Å; P85-Y87 HydrophobicContact CB-CE2 4.05Å; P85-Y87 HydrophobicContact CG-CE1 4.42Å; P85-Y87 HydrophobicContact CG-CE2 4.4Å; P85-Y87 VanDerWaalsContact O-CD2 3.23Å; P85-Y87 WeakPolarHBondContact O-CD2 3.29Å; P85-Y87 PolarHBondContact O-N 3.05Å |
| 86 | D | 68.1 | Low | 66.2 | Low | 81 Ų | 81 | 110.4 Ų | 110.4 | 43% | 0.433 | 59% | 0.594 | S | S | . | * | | | trans | -76.7 | 90.3 | 176.9 | -170 | 4.6 | 0 | 0 | 0 | 108.8 | V84 R88 | V84-D86 PolarHBondContact O-N 2.93Å; V84-D86 VanDerWaalsContact O-N 3.11Å; D86-R88 PolarHBondContact O-N 3.22Å; D86-R88 WeakPolarHBondContact OD1-CB 3.42Å; D86-R88 WeakPolarHBondContact OD1-CG 3.23Å; D86-R88 PolarHBondContact OD1-N 3.41Å |
| 87 | Y | 75.3 | Confident | 67.6 | Low | 148 Ų | 148 | 115.9 Ų | 115.9 | 58% | 0.58 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -71.5 | 7.1 | -178.2 | -60.3 | -67.5 | 0 | 0 | 0 | 114 | P85 Q89 N90 | P85-Y87 VanDerWaalsContact C-N 3.33Å; P85-Y87 HydrophobicContact CB-CD1 4.3Å; P85-Y87 HydrophobicContact CB-CE1 3.77Å; P85-Y87 HydrophobicContact CB-CE2 4.05Å; P85-Y87 HydrophobicContact CG-CE1 4.42Å; P85-Y87 HydrophobicContact CG-CE2 4.4Å; P85-Y87 VanDerWaalsContact O-CD2 3.23Å; P85-Y87 WeakPolarHBondContact O-CD2 3.29Å; P85-Y87 PolarHBondContact O-N 3.05Å; Y87-Q89 PolarHBondContact O-N 3.28Å; Y87-N90 WeakPolarHBondContact O-CB 3.35Å; Y87-N90 PolarHBondContact O-N 2.92Å |
| 88 | R | 69.9 | Low | 68.2 | Low | 139 Ų | 139 | 113.4 Ų | 113.4 | 53% | 0.525 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -54.4 | -27 | 176.3 | -69.5 | -89.1 | -175.9 | -126.6 | -5.1 | 112.8 | D86 L100 | D86-R88 PolarHBondContact O-N 3.22Å; D86-R88 WeakPolarHBondContact OD1-CB 3.42Å; D86-R88 WeakPolarHBondContact OD1-CG 3.23Å; D86-R88 PolarHBondContact OD1-N 3.41Å; R88-L100 HydrophobicContact CB-CB 3.91Å; R88-L100 VanDerWaalsContact CB-O 3.28Å; R88-L100 WeakPolarHBondContact CB-O 3.45Å |
| 89 | Q | 69.1 | Low | 68.9 | Low | 114 Ų | 114 | 110 Ų | 110 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -83.6 | -15.9 | -179.6 | -61.1 | -79.5 | 56.5 | 0 | 0 | 113.7 | Y87 V91 T99 | Y87-Q89 PolarHBondContact O-N 3.28Å; Q89-V91 PolarHBondContact O-N 3.13Å; Q89-T99 VanDerWaalsContact OE1-CG2 3.31Å |
| 90 | N | 77.6 | Confident | 69.6 | Low | 120 Ų | 120 | 108 Ų | 108 | 64% | 0.642 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -75.9 | -8.9 | -178.8 | -64 | 44.2 | 0 | 0 | 0 | 111.6 | Y87 Y92 | Y87-N90 WeakPolarHBondContact O-CB 3.35Å; Y87-N90 PolarHBondContact O-N 2.92Å; N90-Y92 PolarHBondContact O-N 3.02Å |
| 91 | V | 80.7 | Confident | 70.3 | Confident | 92 Ų | 92 | 109.7 Ų | 109.7 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | | | trans | -90.1 | 100.7 | 175.7 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | Q89 I93 | Q89-V91 PolarHBondContact O-N 3.13Å; V91-I93 HydrophobicContact CG1-CG1 4.29Å |
| 92 | Y | 81.2 | Confident | 70.2 | Confident | 183 Ų | 183 | 108.2 Ų | 108.2 | 72% | 0.718 | 59% | 0.589 | S | S | * | * | | | trans | -82.3 | 125.4 | 170.3 | 178.6 | -110.2 | 0 | 0 | 0 | 111 | N90 P94 | N90-Y92 PolarHBondContact O-N 3.02Å; Y92-P94 HydrophobicContact CD1-CG 4.27Å; Y92-P94 HydrophobicContact CE1-CB 4.28Å; Y92-P94 HydrophobicContact CE1-CG 3.97Å |
| 93 | I | 79.3 | Confident | 70.2 | Confident | 87 Ų | 87 | 106.1 Ų | 106.1 | 45% | 0.446 | 59% | 0.594 | S | S | . | * | | | trans | -108.8 | 109.8 | 175.4 | -59 | 173.8 | 0 | 0 | 0 | 107.9 | V91 G95 S96 | V91-I93 HydrophobicContact CG1-CG1 4.29Å; I93-G95 PolarHBondContact O-N 3.17Å; I93-S96 WeakPolarHBondContact O-CB 3.47Å; I93-S96 PolarHBondContact O-N 3.38Å |
| 94 | P | 76.8 | Confident | 69.8 | Low | 105 Ų | 105 | 104.1 Ų | 104.1 | 68% | 0.682 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 129.8 | 178.8 | -25.6 | 33.7 | 0 | 0 | 0 | 112.2 | Y92 S96 | Y92-P94 HydrophobicContact CD1-CG 4.27Å; Y92-P94 HydrophobicContact CE1-CB 4.28Å; Y92-P94 HydrophobicContact CE1-CG 3.97Å; P94-S96 VanDerWaalsContact C-N 3.31Å |
| 95 | G | 79.9 | Confident | 68.9 | Low | 89 Ų | 89 | 101.3 Ų | 101.3 | 92% | 0.918 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.1 | 2.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I93 | I93-G95 PolarHBondContact O-N 3.17Š|
| 96 | S | 73.4 | Confident | 67.8 | Low | 48 Ų | 48 | 108.4 Ų | 108.4 | 34% | 0.336 | 62% | 0.623 | S | S | . | * | | | trans | -117.4 | 132.8 | 174.9 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | I93 P94 A98 | I93-S96 WeakPolarHBondContact O-CB 3.47Å; I93-S96 PolarHBondContact O-N 3.38Å; P94-S96 VanDerWaalsContact C-N 3.31Å; S96-A98 WeakPolarHBondContact OG-CB 3.33Å; S96-A98 PolarHBondContact OG-N 3.31Å |
| 97 | N | 79.3 | Confident | 66.7 | Low | 164 Ų | 164 | 115.1 Ų | 115.1 | 88% | 0.877 | 64% | 0.642 | S | S | * | * | | | trans | -101.2 | 13.7 | 169.5 | 62.2 | -6.4 | 0 | 0 | 0 | 112 | | |
| 98 | A | 68.1 | Low | 65.3 | Low | 64 Ų | 64 | 115.8 Ų | 115.8 | 53% | 0.529 | 66% | 0.655 | S | S | . | * | | | trans | -72.4 | 131.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S96 | S96-A98 WeakPolarHBondContact OG-CB 3.33Å; S96-A98 PolarHBondContact OG-N 3.31Å |
| 99 | T | 66.2 | Low | 64.3 | Low | 97 Ų | 97 | 113.2 Ų | 113.2 | 60% | 0.595 | 67% | 0.672 | S | S | * | * | | | trans | -92.8 | 119.5 | 174.7 | -44.6 | 0 | 0 | 0 | 0 | 109.6 | Q89 T101 | Q89-T99 VanDerWaalsContact OE1-CG2 3.31Å; T99-T101 PolarHBondContact O-N 2.81Å |
| 100 | L | 65.9 | Low | 63 | Low | 75 Ų | 75 | 116.9 Ų | 116.9 | 39% | 0.393 | 69% | 0.686 | S | S | . | * | | | trans | -84 | 91.6 | -178.9 | -65 | -180 | 0 | 0 | 0 | 109.7 | R88 | R88-L100 HydrophobicContact CB-CB 3.91Å; R88-L100 VanDerWaalsContact CB-O 3.28Å; R88-L100 WeakPolarHBondContact CB-O 3.45Å |
| 101 | T | 63.6 | Low | 61.1 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | | | trans | -91.1 | 147.8 | 174.4 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | T99 A103 | T99-T101 PolarHBondContact O-N 2.81Å; T101-A103 PolarHBondContact O-N 3.31Å; T101-A103 VanDerWaalsContact O-N 3.09Å |
| 102 | N | 55.8 | Low | 59.3 | Low | 107 Ų | 107 | 117 Ų | 117 | 57% | 0.572 | 70% | 0.704 | S | S | * | * | | | trans | -61 | 112.3 | 172 | -121.4 | 29.1 | 0 | 0 | 0 | 109.4 | A104 | N102-A104 PolarHBondContact O-N 3.07Š|
| 103 | A | 57.8 | Low | 57.8 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | | | trans | -75.5 | 81.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | T101 G105 | T101-A103 PolarHBondContact O-N 3.31Å; T101-A103 VanDerWaalsContact O-N 3.09Å; A103-G105 PolarHBondContact O-N 2.86Å; A103-G105 VanDerWaalsContact O-N 3.14Å |
| 104 | A | 48.4 | Very low | 55.9 | Low | 100 Ų | 100 | 112.5 Ų | 112.5 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | | | trans | -65.4 | 110.2 | 168 | 0 | 0 | 0 | 0 | 0 | 108.8 | N102 | N102-A104 PolarHBondContact O-N 3.07Š|
| 105 | G | 46.2 | Very low | 54.6 | Low | 58 Ų | 58 | 111.2 Ų | 111.2 | 60% | 0.598 | 73% | 0.729 | S | S | * | * | | | trans | 93.3 | 89.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A103 R107 | A103-G105 PolarHBondContact O-N 2.86Å; A103-G105 VanDerWaalsContact O-N 3.14Å; G105-R107 PolarHBondContact O-N 3.36Å |
| 106 | K | 41.9 | Very low | 53 | Low | 201 Ų | 201 | 115.2 Ų | 115.2 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | | | trans | -66.2 | 90.2 | 142.3 | -64.1 | -66.6 | -170.9 | -167 | 0 | 106.4 | | |
| 107 | R | 44.4 | Very low | 51.4 | Low | 222 Ų | 222 | 116.3 Ų | 116.3 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | | | trans | -53.2 | 144.1 | 142 | -80.7 | 176.4 | -89.5 | 136.3 | -6 | 107.6 | G105 | G105-R107 PolarHBondContact O-N 3.36Š|
| 108 | D | 45.5 | Very low | 50.1 | Low | 161 Ų | 161 | 115.2 Ų | 115.2 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -41.6 | 149 | 179.6 | -59 | -82 | 0 | 0 | 0 | 113.7 | K110 | D108-K110 PolarHBondContact O-N 2.84Š|
| 109 | G | 50.2 | Low | 49.2 | Very low | 85 Ų | 85 | 121.9 Ų | 121.9 | 88% | 0.876 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -42.7 | 116.1 | -163.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 110 | K | 40.7 | Very low | 48.4 | Very low | 191 Ų | 191 | 126 Ų | 126 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | | | trans | -157.9 | 123.2 | 140.3 | -155.3 | 161.4 | -176 | -77.3 | 0 | 108.8 | D108 | D108-K110 PolarHBondContact O-N 2.84Š|
| 111 | A | 37.3 | Very low | 47.6 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -51.5 | 134.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | A113 | A111-A113 PolarHBondContact O-N 3.47Š|
| 112 | P | 42.7 | Very low | 46.8 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | | | trans | -70.9 | 109.7 | 170 | 28.6 | -29.2 | 0 | 0 | 0 | 107.3 | G114 | P112-G114 VanDerWaalsContact C-N 3.31Å; P112-G114 PolarHBondContact O-N 3.12Å |
| 113 | A | 50.9 | Low | 46.8 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -61.8 | 97.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | A111 | A111-A113 PolarHBondContact O-N 3.47Š|
| 114 | G | 39.9 | Very low | 46.2 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -113.7 | 83.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | P112 N116 | P112-G114 VanDerWaalsContact C-N 3.31Å; P112-G114 PolarHBondContact O-N 3.12Å; G114-N116 PolarHBondContact O-N 3.14Å |
| 115 | G | 48.8 | Very low | 46.4 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | -63.7 | 127.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 116 | N | 46.5 | Very low | 46.7 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | | | trans | -155.1 | 110.9 | 147.9 | -139.2 | 17.4 | 0 | 0 | 0 | 109.4 | G114 | G114-N116 PolarHBondContact O-N 3.14Š|
| 117 | G | 39.4 | Very low | 47.1 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | -161.2 | 62.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K119 | G117-K119 PolarHBondContact O-N 2.94Å; G117-K119 VanDerWaalsContact O-N 3.12Å |
| 118 | N | 51.5 | Low | 47.7 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 75% | 0.749 | 83% | 0.828 | S | S | * | * | | | trans | -46.2 | 111.4 | 164.4 | -175.3 | 30.8 | 0 | 0 | 0 | 110.7 | | |
| 119 | K | 49.6 | Very low | 47.8 | Very low | 205 Ų | 205 | 145.1 Ų | 145.1 | 89% | 0.891 | 83% | 0.827 | S | S | * | * | | | trans | -130.9 | 105.9 | 163.5 | -95.1 | 177.9 | -177.6 | 161.9 | 0 | 110.2 | G117 | G117-K119 PolarHBondContact O-N 2.94Å; G117-K119 VanDerWaalsContact O-N 3.12Å |
| 120 | K | 49.5 | Very low | 47.7 | Very low | 183 Ų | 183 | 148.3 Ų | 148.3 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | | | trans | -53.2 | 137.1 | 167.4 | -67.1 | 174.5 | 174.3 | 175.5 | 0 | 111.4 | | |
| 121 | K | 49 | Very low | 48.1 | Very low | 204 Ų | 204 | 145.9 Ų | 145.9 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | | | trans | 56.2 | 111.7 | 131.2 | -152 | 178.3 | -167.7 | 179.1 | 0 | 119.4 | | |
| 122 | S | 46 | Very low | 48.7 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | | | | 172.8 | 109.1 | 129 | -170.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 123 | G | 56.8 | Low | 49.1 | Very low | 66 Ų | 66 | 150.6 Ų | 150.6 | 68% | 0.68 | 83% | 0.829 | S | S | * | * | | | | 67.4 | 105.4 | 69.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 124 | K | 45.2 | Very low | 48.9 | Very low | 189 Ų | 189 | 153.9 Ų | 153.9 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | | | trans | 152.1 | 124.7 | 134.1 | -168.9 | 162.4 | -176.6 | 174.7 | 0 | 115.3 | | |
| 125 | K | 52.1 | Low | 49.6 | Very low | 166 Ų | 166 | 159.6 Ų | 159.6 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | | | trans | 74.2 | 110.9 | 148 | -88.7 | -176.5 | 167.3 | -174.1 | 0 | 123 | | |
| 126 | E | 53.5 | Low | 49.6 | Very low | 175 Ų | 175 | 166 Ų | 166 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | | | | 13.6 | 135.9 | 123.3 | -57.5 | 176.9 | 100.7 | 0 | 0 | 120.4 | | |
| 127 | K | 50.4 | Low | 49.9 | Very low | 196 Ų | 196 | 165.3 Ų | 165.3 | 85% | 0.852 | 83% | 0.829 | S | S | * | * | | | | -177.6 | 114 | 111.2 | -129.2 | 173.1 | 170.8 | 178.7 | 0 | 108.4 | | |
| 128 | K | 56 | Low | 50.9 | Low | 272 Ų | 272 | 173.9 Ų | 173.9 | 100% | 1.183 | 84% | 0.838 | S | S | * | * | | | | 63.4 | 0 | 107.9 | -156.1 | -176.3 | -175.2 | -175.8 | 0 | 114.4 | | |