| 1 | M | 46 | Very low | 55.8 | Low | 224 Ų | 224 | 153.6 Ų | 153.6 | 100% | 1.103 | 73% | 0.729 | S | S | * | * | | | | 0 | 91.4 | 0 | -158.3 | 170.4 | -121.7 | 0 | 0 | 105.7 | | |
| 2 | E | 56.9 | Low | 55.9 | Low | 175 Ų | 175 | 154.8 Ų | 154.8 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | -75.3 | 136 | -179.3 | 54.1 | -120.5 | 108.1 | 0 | 0 | 110.6 | T4 | E2-T4 PolarHBondContact O-N 3.37Š|
| 3 | Q | 57 | Low | 56.1 | Low | 150 Ų | 150 | 152.8 Ų | 152.8 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | trans | -79.4 | 108.1 | -173.5 | -67 | -77.9 | 94.7 | 0 | 0 | 109 | W5 | Q3-W5 VanDerWaalsContact C-N 3.34Å; Q3-W5 PolarHBondContact O-N 3.42Å |
| 4 | T | 60.6 | Low | 56.3 | Low | 106 Ų | 106 | 153.1 Ų | 153.1 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -79.3 | -2.9 | -172.9 | 40.9 | 0 | 0 | 0 | 0 | 115.6 | E2 T6 R7 | E2-T4 PolarHBondContact O-N 3.37Å; T4-T6 VanDerWaalsContact C-N 3.27Å; T4-T6 PolarHBondContact O-N 2.9Å; T4-T6 VanDerWaalsContact O-N 3.16Å; T4-R7 PolarHBondContact O-N 3.24Å |
| 5 | W | 55.7 | Low | 56.8 | Low | 184 Ų | 184 | 145.1 Ų | 145.1 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -68.5 | -16.5 | -170.6 | 65.7 | -92.1 | 0 | 0 | 0 | 115.6 | Q3 | Q3-W5 VanDerWaalsContact C-N 3.34Å; Q3-W5 PolarHBondContact O-N 3.42Å |
| 6 | T | 55.7 | Low | 57.3 | Low | 76 Ų | 76 | 146.9 Ų | 146.9 | 47% | 0.466 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -85.5 | -20.7 | -176 | -48.4 | 0 | 0 | 0 | 0 | 113 | T4 | T4-T6 VanDerWaalsContact C-N 3.27Å; T4-T6 PolarHBondContact O-N 2.9Å; T4-T6 VanDerWaalsContact O-N 3.16Å |
| 7 | R | 55.1 | Low | 57.7 | Low | 210 Ų | 210 | 148.2 Ų | 148.2 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -18.3 | -174 | -81 | 175 | 67.9 | 99 | -2.5 | 114.4 | T4 | T4-R7 PolarHBondContact O-N 3.24Š|
| 8 | D | 56.3 | Low | 57.8 | Low | 127 Ų | 127 | 145.8 Ų | 145.8 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -98 | -7.2 | -175 | -55.7 | -25.8 | 0 | 0 | 0 | 113 | | |
| 9 | Y | 55.4 | Low | 57.7 | Low | 193 Ų | 193 | 142.8 Ų | 142.8 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -85 | -19.7 | -177.9 | -156.8 | -92.8 | 0 | 0 | 0 | 113.8 | | |
| 10 | F | 57.1 | Low | 57.8 | Low | 174 Ų | 174 | 147.4 Ų | 147.4 | 76% | 0.763 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -122.7 | 3 | -171.1 | -72.1 | -77.5 | 0 | 0 | 0 | 114.2 | | |
| 11 | A | 57.9 | Low | 57.7 | Low | 71 Ų | 71 | 145.2 Ų | 145.2 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -101.7 | -5.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 12 | E | 57.2 | Low | 58.1 | Low | 167 Ų | 167 | 138.7 Ų | 138.7 | 78% | 0.78 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -126.8 | 24.4 | -169.2 | -63.2 | -80 | 168.6 | 0 | 0 | 113.5 | | |
| 13 | D | 58.9 | Low | 58 | Low | 129 Ų | 129 | 136.7 Ų | 136.7 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | | | trans | -130 | 68.5 | 167.5 | -158.1 | 26.5 | 0 | 0 | 0 | 109.7 | G15 | D13-G15 PolarHBondContact O-N 3.01Å; D13-G15 WeakPolarHBondContact OD1-CA 3.16Å; D13-G15 PolarHBondContact OD1-N 3.2Å |
| 14 | D | 58.8 | Low | 57.7 | Low | 157 Ų | 157 | 134.3 Ų | 134.3 | 84% | 0.84 | 68% | 0.679 | S | S | * | * | | | trans | -71 | 9.7 | 154.8 | 62.2 | -38.5 | 0 | 0 | 0 | 112.1 | E16 | D14-E16 PolarHBondContact O-N 3.07Š|
| 15 | G | 63.9 | Low | 57.3 | Low | 34 Ų | 34 | 133.1 Ų | 133.1 | 35% | 0.351 | 68% | 0.68 | S | S | . | * | | | trans | -59.6 | 107.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | D13 M17 | D13-G15 PolarHBondContact O-N 3.01Å; D13-G15 WeakPolarHBondContact OD1-CA 3.16Å; D13-G15 PolarHBondContact OD1-N 3.2Å; G15-M17 PolarHBondContact O-N 2.91Å |
| 16 | E | 64.5 | Low | 57.1 | Low | 174 Ų | 174 | 127.2 Ų | 127.2 | 81% | 0.813 | 67% | 0.67 | S | S | * | * | | | trans | -36.2 | 110.8 | 168.3 | -166.8 | -174.2 | -149.3 | 0 | 0 | 109.5 | D14 V18 | D14-E16 PolarHBondContact O-N 3.07Å; E16-V18 PolarHBondContact O-N 3.14Å |
| 17 | M | 64.7 | Low | 57 | Low | 169 Ų | 169 | 131.4 Ų | 131.4 | 83% | 0.833 | 68% | 0.682 | S | S | * | * | | | trans | -66.7 | 86.8 | -179.5 | -74.4 | -75.5 | -77.1 | 0 | 0 | 108.1 | G15 P19 | G15-M17 PolarHBondContact O-N 2.91Å; M17-P19 WeakPolarHBondContact O-CD 3.19Å |
| 18 | V | 58.5 | Low | 56.9 | Low | 105 Ų | 105 | 128.9 Ų | 128.9 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | | | trans | -56 | 125 | 177.4 | -175.1 | 0 | 0 | 0 | 0 | 106.8 | E16 R20 | E16-V18 PolarHBondContact O-N 3.14Å; V18-R20 PolarHBondContact O-N 3.47Å |
| 19 | P | 56.3 | Low | 56.8 | Low | 88 Ų | 88 | 125.7 Ų | 125.7 | 57% | 0.571 | 67% | 0.672 | S | S | * | * | | | trans | -52.4 | 115.6 | 177 | -26 | 33.2 | 0 | 0 | 0 | 109.1 | M17 T21 | M17-P19 WeakPolarHBondContact O-CD 3.19Å; P19-T21 PolarHBondContact O-N 3.47Å |
| 20 | R | 59.3 | Low | 56.8 | Low | 234 Ų | 234 | 122.8 Ų | 122.8 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 35.9 | 173.1 | -164.5 | 176.9 | 173.1 | 165.3 | -1 | 111.1 | V18 | V18-R20 PolarHBondContact O-N 3.47Š|
| 21 | T | 57 | Low | 56.6 | Low | 102 Ų | 102 | 119.9 Ų | 119.9 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | -3.7 | 177.9 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | P19 H23 | P19-T21 PolarHBondContact O-N 3.47Å; T21-H23 PolarHBondContact O-N 3.37Å |
| 22 | S | 54.1 | Low | 56.7 | Low | 88 Ų | 88 | 125.2 Ų | 125.2 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -9.4 | 175.5 | -58.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 23 | H | 54.6 | Low | 57.1 | Low | 133 Ų | 133 | 124.8 Ų | 124.8 | 62% | 0.616 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -8.5 | -177.7 | -64.1 | -51.1 | 0 | 0 | 0 | 114.8 | T21 F27 | T21-H23 PolarHBondContact O-N 3.37Å; H23-F27 WeakPolarHBondContact O-CD2 3.34Å; H23-F27 WeakPolarHBondContact O-CE2 3.47Å |
| 24 | T | 49.2 | Very low | 57.1 | Low | 99 Ų | 99 | 127.9 Ų | 127.9 | 61% | 0.607 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -76.6 | -27.7 | -174.3 | -42.7 | 0 | 0 | 0 | 0 | 112.5 | A26 | T24-A26 PolarHBondContact O-N 3.37Š|
| 25 | A | 52.6 | Low | 57.3 | Low | 81 Ų | 81 | 123.1 Ų | 123.1 | 67% | 0.669 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -76.3 | -19.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F27 L28 | A25-F27 VanDerWaalsContact C-N 3.27Å; A25-F27 PolarHBondContact O-N 3.04Å; A25-L28 PolarHBondContact O-N 2.94Å |
| 26 | A | 52.4 | Low | 57 | Low | 61 Ų | 61 | 127.3 Ų | 127.3 | 50% | 0.504 | 69% | 0.69 | S | S | . | * | G | 310 helix | trans | -75.1 | -13.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T24 | T24-A26 PolarHBondContact O-N 3.37Š|
| 27 | F | 54 | Low | 56.7 | Low | 164 Ų | 164 | 124.8 Ų | 124.8 | 72% | 0.719 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -84.8 | -10.3 | 178.3 | -62.4 | -75.8 | 0 | 0 | 0 | 113.8 | H23 A25 | H23-F27 WeakPolarHBondContact O-CD2 3.34Å; H23-F27 WeakPolarHBondContact O-CE2 3.47Å; A25-F27 VanDerWaalsContact C-N 3.27Å; A25-F27 PolarHBondContact O-N 3.04Å |
| 28 | L | 52.1 | Low | 56.3 | Low | 157 Ų | 157 | 123.1 Ų | 123.1 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -103.2 | 8.2 | 177.6 | -63.8 | 175.1 | 0 | 0 | 0 | 112.6 | A25 D30 | A25-L28 PolarHBondContact O-N 2.94Å; L28-D30 PolarHBondContact O-N 2.71Å |
| 29 | S | 54.3 | Low | 56.3 | Low | 60 Ų | 60 | 125.3 Ų | 125.3 | 42% | 0.42 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -68.7 | 118.1 | 169.3 | 73.5 | 0 | 0 | 0 | 0 | 108.4 | T31 | S29-T31 PolarHBondContact O-N 3.34Š|
| 30 | D | 54.6 | Low | 56.4 | Low | 132 Ų | 132 | 126.3 Ų | 126.3 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | | | trans | -24.3 | 104.7 | 174.3 | -176.3 | -116 | 0 | 0 | 0 | 112.2 | L28 K32 | L28-D30 PolarHBondContact O-N 2.71Å; D30-K32 PolarHBondContact O-N 2.91Å; D30-K32 WeakPolarHBondContact OD1-CB 3.44Å |
| 31 | T | 54.5 | Low | 56.4 | Low | 112 Ų | 112 | 123.4 Ų | 123.4 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 19.1 | -172.5 | 56 | 0 | 0 | 0 | 0 | 112.7 | S29 D33 | S29-T31 PolarHBondContact O-N 3.34Å; T31-D33 VanDerWaalsContact C-N 3.29Å; T31-D33 PolarHBondContact O-N 2.75Å |
| 32 | K | 58.7 | Low | 56.7 | Low | 183 Ų | 183 | 124.6 Ų | 124.6 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -20.7 | -172.1 | -158.5 | 175.1 | 177.5 | 178.3 | 0 | 112.9 | D30 | D30-K32 PolarHBondContact O-N 2.91Å; D30-K32 WeakPolarHBondContact OD1-CB 3.44Å |
| 33 | D | 65.6 | Low | 56.4 | Low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -119.8 | -11.6 | -178.4 | -162.8 | 51 | 0 | 0 | 0 | 114.4 | T31 G35 | T31-D33 VanDerWaalsContact C-N 3.29Å; T31-D33 PolarHBondContact O-N 2.75Å; D33-G35 PolarHBondContact O-N 2.91Å |
| 34 | R | 60.2 | Low | 56.8 | Low | 194 Ų | 194 | 135.4 Ų | 135.4 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -90.1 | 105.4 | 174.8 | -105.1 | 177.1 | 175.2 | 162.5 | -1.3 | 109.3 | | |
| 35 | G | 62.5 | Low | 57.4 | Low | 57 Ų | 57 | 136.8 Ų | 136.8 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 163 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112 | D33 | D33-G35 PolarHBondContact O-N 2.91Š|
| 36 | P | 56.8 | Low | 57.6 | Low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -51.3 | 136.8 | -163.7 | 17.7 | -29.7 | 0 | 0 | 0 | 111.6 | V38 | P36-V38 PolarHBondContact O-N 2.95Å; P36-V38 VanDerWaalsContact O-N 3.14Å |
| 37 | P | 57.7 | Low | 58 | Low | 122 Ų | 122 | 141.6 Ų | 141.6 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 125 | -173.5 | 21.7 | -32 | 0 | 0 | 0 | 109.2 | Q39 | P37-Q39 PolarHBondContact O-N 2.7Š|
| 38 | V | 57.6 | Low | 58.3 | Low | 134 Ų | 134 | 144 Ų | 144 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -51.2 | 111.4 | 174.6 | 165.9 | 0 | 0 | 0 | 0 | 107.2 | P36 S40 | P36-V38 PolarHBondContact O-N 2.95Å; P36-V38 VanDerWaalsContact O-N 3.14Å; V38-S40 PolarHBondContact O-N 3.41Å; V38-S40 VanDerWaalsContact O-N 3.07Å |
| 39 | Q | 58.9 | Low | 58.6 | Low | 151 Ų | 151 | 141.4 Ų | 141.4 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -49.3 | 113.8 | -172.5 | -172.4 | -171.4 | -39.4 | 0 | 0 | 109.5 | P37 Q41 | P37-Q39 PolarHBondContact O-N 2.7Å; Q39-Q41 PolarHBondContact O-N 2.82Å |
| 40 | S | 58.2 | Low | 58.6 | Low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -40.6 | 109.4 | 179.3 | -69.8 | 0 | 0 | 0 | 0 | 111 | V38 I42 | V38-S40 PolarHBondContact O-N 3.41Å; V38-S40 VanDerWaalsContact O-N 3.07Å; S40-I42 PolarHBondContact O-N 2.84Å |
| 41 | Q | 59.6 | Low | 58.7 | Low | 174 Ų | 174 | 146.1 Ų | 146.1 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -82.4 | 63.8 | -172.3 | -163 | 173.8 | -16.1 | 0 | 0 | 109.6 | Q39 | Q39-Q41 PolarHBondContact O-N 2.82Š|
| 42 | I | 63.1 | Low | 58.7 | Low | 126 Ų | 126 | 145.3 Ų | 145.3 | 65% | 0.646 | 76% | 0.762 | S | S | * | * | | | trans | -137.8 | 132 | 174.3 | -57.8 | 167.4 | 0 | 0 | 0 | 104.2 | S40 | S40-I42 PolarHBondContact O-N 2.84Š|
| 43 | W | 47.5 | Very low | 58.6 | Low | 238 Ų | 238 | 144.7 Ų | 144.7 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 93.3 | 14.6 | -170.4 | -45.7 | 109.8 | 0 | 0 | 0 | 118 | | |
| 44 | R | 63.2 | Low | 58.3 | Low | 210 Ų | 210 | 142.9 Ų | 142.9 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | trans | -114.4 | 54.7 | 169.9 | -56.3 | -55.6 | -139.1 | -158.5 | 5.9 | 112.5 | | |
| 45 | S | 60.6 | Low | 57.9 | Low | 129 Ų | 129 | 143.4 Ų | 143.4 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | | | trans | -114.2 | 56.4 | 155.5 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 46 | G | 58 | Low | 57.8 | Low | 61 Ų | 61 | 143.6 Ų | 143.6 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -116.8 | 119.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 104.6 | K48 | G46-K48 PolarHBondContact O-N 2.8Š|
| 47 | E | 59.4 | Low | 57.8 | Low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | -30.7 | 132.9 | 170.1 | -146.3 | 166.4 | 115.3 | 0 | 0 | 111.2 | V49 | E47-V49 HydrophobicContact CB-CG2 4.4Å; E47-V49 PolarHBondContact O-N 2.77Å |
| 48 | K | 60.7 | Low | 58 | Low | 213 Ų | 213 | 148.4 Ų | 148.4 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | | | trans | -71.8 | 66.8 | -175.4 | -148.9 | -175.9 | -164.7 | -114.3 | 0 | 109.5 | G46 | G46-K48 PolarHBondContact O-N 2.8Š|
| 49 | V | 59.5 | Low | 58.2 | Low | 103 Ų | 103 | 145.5 Ų | 145.5 | 62% | 0.624 | 74% | 0.74 | S | S | * | * | | | trans | -70.5 | 127.8 | 173.1 | -174.1 | 0 | 0 | 0 | 0 | 106.5 | E47 F51 | E47-V49 HydrophobicContact CB-CG2 4.4Å; E47-V49 PolarHBondContact O-N 2.77Å; V49-F51 VanDerWaalsContact C-N 3.35Å; V49-F51 PolarHBondContact O-N 3.46Å |
| 50 | P | 54.5 | Low | 58.3 | Low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | | | trans | -59.4 | 105 | 172.3 | 23.1 | -29.4 | 0 | 0 | 0 | 107.3 | V52 | P50-V52 VanDerWaalsContact C-N 3.29Å; P50-V52 PolarHBondContact O-N 3.16Å |
| 51 | F | 56.4 | Low | 58.9 | Low | 180 Ų | 180 | 147.3 Ų | 147.3 | 79% | 0.789 | 73% | 0.734 | S | S | * | * | | | trans | -64.7 | 95.8 | 176.7 | -150.9 | -95.8 | 0 | 0 | 0 | 105.6 | V49 Q53 | V49-F51 VanDerWaalsContact C-N 3.35Å; V49-F51 PolarHBondContact O-N 3.46Å; F51-Q53 HydrophobicContact CD1-CG 4.36Å; F51-Q53 PolarHBondContact O-N 2.95Å |
| 52 | V | 53.1 | Low | 59.4 | Low | 96 Ų | 96 | 147.7 Ų | 147.7 | 58% | 0.582 | 73% | 0.733 | S | S | * | * | | | trans | -62.5 | 95.5 | 166.3 | 176.5 | 0 | 0 | 0 | 0 | 104.9 | P50 T54 Y55 | P50-V52 VanDerWaalsContact C-N 3.29Å; P50-V52 PolarHBondContact O-N 3.16Å; V52-T54 PolarHBondContact O-N 3.43Å; V52-Y55 HydrophobicContact CG1-CD2 4.25Å; V52-Y55 HydrophobicContact CG1-CE2 4.35Å |
| 53 | Q | 57.5 | Low | 59.5 | Low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 69.2 | 178.1 | -69.7 | 173.1 | 2.2 | 0 | 0 | 109 | F51 | F51-Q53 HydrophobicContact CD1-CG 4.36Å; F51-Q53 PolarHBondContact O-N 2.95Å |
| 54 | T | 58.3 | Low | 60.4 | Low | 119 Ų | 119 | 139.6 Ų | 139.6 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.8 | 23.3 | 170.5 | 21.2 | 0 | 0 | 0 | 0 | 114 | V52 | V52-T54 PolarHBondContact O-N 3.43Š|
| 55 | Y | 53 | Low | 60.8 | Low | 205 Ų | 205 | 138.7 Ų | 138.7 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -117 | 80.1 | 159.1 | -71.2 | -84.2 | 0 | 0 | 0 | 107.4 | V52 | V52-Y55 HydrophobicContact CG1-CD2 4.25Å; V52-Y55 HydrophobicContact CG1-CE2 4.35Å |
| 56 | S | 60.4 | Low | 61.2 | Low | 62 Ų | 62 | 136.9 Ų | 136.9 | 43% | 0.434 | 71% | 0.707 | S | S | . | * | | | | 91.2 | 85.4 | 94.7 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | R58 A59 | S56-R58 PolarHBondContact O-N 3.11Å; S56-R58 WeakPolarHBondContact OG-CB 3.36Å; S56-R58 PolarHBondContact OG-N 3.31Å; S56-A59 PolarHBondContact O-N 3.43Å; S56-A59 VanDerWaalsContact O-N 3.11Å |
| 57 | L | 57.1 | Low | 61.7 | Low | 158 Ų | 158 | 141.1 Ų | 141.1 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -54.5 | -10.5 | 164 | -65.2 | 172.7 | 0 | 0 | 0 | 112.7 | A59 F60 | L57-A59 PolarHBondContact O-N 2.97Å; L57-F60 PolarHBondContact O-N 3.04Å |
| 58 | R | 61.2 | Low | 62.8 | Low | 186 Ų | 186 | 135.6 Ų | 135.6 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -62.7 | -14.1 | 170.4 | -70.3 | -157.1 | -77.8 | -133.9 | 3.3 | 114.7 | S56 F60 E61 | S56-R58 PolarHBondContact O-N 3.11Å; S56-R58 WeakPolarHBondContact OG-CB 3.36Å; S56-R58 PolarHBondContact OG-N 3.31Å; R58-F60 PolarHBondContact O-N 3.2Å; R58-E61 HydrophobicContact CB-CB 4.39Å; R58-E61 WeakPolarHBondContact CD-OE2 3.27Å; R58-E61 VanDerWaalsContact CG-OE2 3.27Å; R58-E61 WeakPolarHBondContact CG-OE2 2.97Å; R58-E61 VanDerWaalsContact O-CB 3.29Å; R58-E61 WeakPolarHBondContact O-CB 3.29Å; R58-E61 PolarHBondContact O-N 3.19Å |
| 59 | A | 61.5 | Low | 63.6 | Low | 73 Ų | 73 | 130.3 Ų | 130.3 | 60% | 0.603 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -58.8 | -17.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S56 L57 | S56-A59 PolarHBondContact O-N 3.43Å; S56-A59 VanDerWaalsContact O-N 3.11Å; L57-A59 PolarHBondContact O-N 2.97Å |
| 60 | F | 60.5 | Low | 64.5 | Low | 161 Ų | 161 | 128.8 Ų | 128.8 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -105.5 | 0.3 | 175.7 | -59.8 | -79.8 | 0 | 0 | 0 | 114 | L57 R58 K62 | L57-F60 PolarHBondContact O-N 3.04Å; R58-F60 PolarHBondContact O-N 3.2Å; F60-K62 PolarHBondContact O-N 2.76Å |
| 61 | E | 70.8 | Confident | 65.7 | Low | 137 Ų | 137 | 128.3 Ų | 128.3 | 64% | 0.64 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -28.6 | 177.8 | -172.3 | 176 | 178.9 | 0 | 0 | 111.4 | R58 | R58-E61 HydrophobicContact CB-CB 4.39Å; R58-E61 WeakPolarHBondContact CD-OE2 3.27Å; R58-E61 VanDerWaalsContact CG-OE2 3.27Å; R58-E61 WeakPolarHBondContact CG-OE2 2.97Å; R58-E61 VanDerWaalsContact O-CB 3.29Å; R58-E61 WeakPolarHBondContact O-CB 3.29Å; R58-E61 PolarHBondContact O-N 3.19Å |
| 62 | K | 71.4 | Confident | 66.8 | Low | 182 Ų | 182 | 124.8 Ų | 124.8 | 79% | 0.791 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -122.7 | 91.9 | 166.4 | -69.2 | -178.4 | -178.8 | 178 | 0 | 108.2 | F60 | F60-K62 PolarHBondContact O-N 2.76Š|
| 63 | P | 65.4 | Low | 68.2 | Low | 89 Ų | 89 | 123.8 Ų | 123.8 | 58% | 0.578 | 63% | 0.63 | S | S | * | * | | | trans | -58.8 | 136.8 | 174.7 | 25 | -32.2 | 0 | 0 | 0 | 108.3 | Q65 | P63-Q65 PolarHBondContact O-N 3.07Å; P63-Q65 VanDerWaalsContact O-N 3.07Å |
| 64 | P | 66.8 | Low | 69.2 | Low | 105 Ų | 105 | 122.8 Ų | 122.8 | 68% | 0.682 | 62% | 0.623 | S | S | * | * | | | trans | -56.4 | 121.8 | 176.3 | 21.9 | -30.6 | 0 | 0 | 0 | 108.1 | V66 | P64-V66 HydrophobicContact CB-CG2 3.97Å; P64-V66 HydrophobicContact CG-CG2 4.33Å; P64-V66 PolarHBondContact O-N 3.31Å |
| 65 | Q | 71.4 | Confident | 70.1 | Confident | 191 Ų | 191 | 122.6 Ų | 122.6 | 89% | 0.893 | 61% | 0.614 | S | S | * | * | | | trans | -73 | 70.8 | 177.6 | -71.4 | 170.4 | -19.3 | 0 | 0 | 108.7 | P63 Q67 | P63-Q65 PolarHBondContact O-N 3.07Å; P63-Q65 VanDerWaalsContact O-N 3.07Å; Q65-Q67 PolarHBondContact O-N 3.31Å; Q65-Q67 VanDerWaalsContact O-N 3.12Å |
| 66 | V | 68.4 | Low | 71.1 | Confident | 90 Ų | 90 | 120 Ų | 120 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | | | trans | -79.7 | 97.5 | 175.5 | -167.2 | 0 | 0 | 0 | 0 | 106.9 | P64 T68 | P64-V66 HydrophobicContact CB-CG2 3.97Å; P64-V66 HydrophobicContact CG-CG2 4.33Å; P64-V66 PolarHBondContact O-N 3.31Å; V66-T68 HydrophobicContact CB-CG2 4.29Å; V66-T68 HydrophobicContact CG1-CG2 3.47Å; V66-T68 VanDerWaalsContact CG1-CG2 3.47Å; V66-T68 PolarHBondContact O-N 3.44Å |
| 67 | Q | 68.7 | Low | 71.1 | Confident | 150 Ų | 150 | 121.6 Ų | 121.6 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | | | trans | -75.5 | 77.6 | 170.1 | -69.6 | -172.7 | -9 | 0 | 0 | 109.5 | Q65 R72 | Q65-Q67 PolarHBondContact O-N 3.31Å; Q65-Q67 VanDerWaalsContact O-N 3.12Å; Q67-R72 PolarHBondContact O-NH1 3.49Å |
| 68 | T | 81.6 | Confident | 71.3 | Confident | 67 Ų | 67 | 117.3 Ų | 117.3 | 41% | 0.411 | 60% | 0.598 | S | S | . | * | | | trans | -72.7 | 152.6 | 172.4 | 65.8 | 0 | 0 | 0 | 0 | 110.2 | V66 A70 L71 R72 | V66-T68 HydrophobicContact CB-CG2 4.29Å; V66-T68 HydrophobicContact CG1-CG2 3.47Å; V66-T68 VanDerWaalsContact CG1-CG2 3.47Å; V66-T68 PolarHBondContact O-N 3.44Å; T68-A70 PolarHBondContact O-N 3.15Å; T68-L71 PolarHBondContact O-N 2.93Å; T68-L71 VanDerWaalsContact O-N 3.13Å; T68-L71 PolarHBondContact OG1-N 3.14Å; T68-R72 PolarHBondContact O-N 3.12Å |
| 69 | Q | 78 | Confident | 71.2 | Confident | 102 Ų | 102 | 115.3 Ų | 115.3 | 48% | 0.477 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -56.6 | -39.8 | 176.8 | -175.3 | 56.8 | 46.8 | 0 | 0 | 111.7 | L71 R72 D73 | Q69-L71 VanDerWaalsContact C-N 3.3Å; Q69-L71 PolarHBondContact O-N 3.47Å; Q69-R72 PolarHBondContact O-N 3.43Å; Q69-R72 VanDerWaalsContact O-N 3.15Å; Q69-D73 PolarHBondContact NE2-OD1 3.35Å; Q69-D73 PolarHBondContact NE2-OD2 3.07Å; Q69-D73 VanDerWaalsContact O-CG 3.24Å; Q69-D73 PolarHBondContact O-N 2.8Å |
| 70 | A | 78.8 | Confident | 71.1 | Confident | 71 Ų | 71 | 117.3 Ų | 117.3 | 59% | 0.587 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59 | -37.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T68 D73 F74 | T68-A70 PolarHBondContact O-N 3.15Å; A70-D73 PolarHBondContact O-N 3.32Å; A70-F74 PolarHBondContact O-N 2.97Å; A70-F74 VanDerWaalsContact O-N 3.14Å |
| 71 | L | 78.9 | Confident | 71 | Confident | 101 Ų | 101 | 114.5 Ų | 114.5 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.7 | -39.3 | 177.6 | -174.1 | 62.3 | 0 | 0 | 0 | 111.7 | T68 Q69 F74 E75 | T68-L71 PolarHBondContact O-N 2.93Å; T68-L71 VanDerWaalsContact O-N 3.13Å; T68-L71 PolarHBondContact OG1-N 3.14Å; Q69-L71 VanDerWaalsContact C-N 3.3Å; Q69-L71 PolarHBondContact O-N 3.47Å; L71-F74 PolarHBondContact O-N 3.37Å; L71-E75 PolarHBondContact O-N 3.37Å |
| 72 | R | 80.6 | Confident | 70 | Confident | 105 Ų | 105 | 114.4 Ų | 114.4 | 40% | 0.396 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.3 | -40.7 | 175.6 | -68.8 | -170.7 | -72.4 | -89.9 | 0.4 | 112.3 | Q67 T68 Q69 F74 E75 K76 | Q67-R72 PolarHBondContact O-NH1 3.49Å; T68-R72 PolarHBondContact O-N 3.12Å; Q69-R72 PolarHBondContact O-N 3.43Å; Q69-R72 VanDerWaalsContact O-N 3.15Å; R72-F74 VanDerWaalsContact C-N 3.32Å; R72-F74 PolarHBondContact O-N 3.31Å; R72-E75 PolarHBondContact O-N 3.13Å; R72-K76 PolarHBondContact O-N 2.86Å |
| 73 | D | 81.1 | Confident | 69.9 | Low | 76 Ų | 76 | 111.1 Ų | 111.1 | 41% | 0.406 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.6 | -38.3 | -180 | -64.3 | -28.4 | 0 | 0 | 0 | 111.1 | Q69 A70 K76 V77 | Q69-D73 PolarHBondContact NE2-OD1 3.35Å; Q69-D73 PolarHBondContact NE2-OD2 3.07Å; Q69-D73 VanDerWaalsContact O-CG 3.24Å; Q69-D73 PolarHBondContact O-N 2.8Å; A70-D73 PolarHBondContact O-N 3.32Å; D73-K76 PolarHBondContact O-N 3.5Å; D73-V77 VanDerWaalsContact O-CG2 3.32Å; D73-V77 WeakPolarHBondContact O-CG2 3.32Å; D73-V77 PolarHBondContact O-N 3.09Å; D73-V77 VanDerWaalsContact O-N 3.09Å |
| 74 | F | 79.1 | Confident | 70.2 | Confident | 148 Ų | 148 | 112.2 Ų | 112.2 | 65% | 0.649 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.1 | -43 | 175.4 | -169.8 | -93.6 | 0 | 0 | 0 | 113 | A70 L71 R72 V77 S78 | A70-F74 PolarHBondContact O-N 2.97Å; A70-F74 VanDerWaalsContact O-N 3.14Å; L71-F74 PolarHBondContact O-N 3.37Å; R72-F74 VanDerWaalsContact C-N 3.32Å; R72-F74 PolarHBondContact O-N 3.31Å; F74-V77 PolarHBondContact O-N 2.83Å; F74-S78 PolarHBondContact O-N 3.17Å; F74-S78 VanDerWaalsContact O-N 3.17Å; F74-S78 PolarHBondContact O-OG 2.9Å |
| 75 | E | 78.5 | Confident | 70.4 | Confident | 115 Ų | 115 | 112.6 Ų | 112.6 | 54% | 0.537 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.5 | -38.6 | 176.9 | -174.6 | 175.2 | -172.3 | 0 | 0 | 112.3 | L71 R72 S78 H79 | L71-E75 PolarHBondContact O-N 3.37Å; R72-E75 PolarHBondContact O-N 3.13Å; E75-S78 WeakPolarHBondContact O-CB 3.44Å; E75-S78 PolarHBondContact O-N 3.44Å; E75-H79 PolarHBondContact O-N 3.09Å; E75-H79 PolarHBondContact O-ND1 3.46Å; E75-H79 IonicContact OE1-CE1 3.9Å |
| 76 | K | 73.9 | Confident | 70.3 | Confident | 150 Ų | 150 | 108 Ų | 108 | 65% | 0.652 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.4 | -41.4 | 176.4 | -173.5 | -175.3 | 177 | -174.6 | 0 | 112.1 | R72 D73 S78 H79 V80 | R72-K76 PolarHBondContact O-N 2.86Å; D73-K76 PolarHBondContact O-N 3.5Å; K76-S78 VanDerWaalsContact C-N 3.25Å; K76-S78 PolarHBondContact O-N 3.45Å; K76-H79 PolarHBondContact O-N 3.17Å; K76-V80 VanDerWaalsContact O-CG2 3.29Å; K76-V80 WeakPolarHBondContact O-CG2 3.29Å; K76-V80 PolarHBondContact O-N 3.35Å |
| 77 | V | 60.5 | Low | 70.4 | Confident | 96 Ų | 96 | 109.1 Ų | 109.1 | 58% | 0.582 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.8 | -33.9 | 176 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | D73 F74 V80 S81 | D73-V77 VanDerWaalsContact O-CG2 3.32Å; D73-V77 WeakPolarHBondContact O-CG2 3.32Å; D73-V77 PolarHBondContact O-N 3.09Å; D73-V77 VanDerWaalsContact O-N 3.09Å; F74-V77 PolarHBondContact O-N 2.83Å; V77-V80 PolarHBondContact O-N 3.2Å; V77-S81 PolarHBondContact O-OG 3.42Å; V77-S81 VanDerWaalsContact O-OG 3.09Å |
| 78 | S | 60.9 | Low | 70.6 | Confident | 69 Ų | 69 | 106.4 Ų | 106.4 | 48% | 0.483 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70 | -33.5 | -179.8 | -55.9 | 0 | 0 | 0 | 0 | 112.8 | F74 E75 K76 | F74-S78 PolarHBondContact O-N 3.17Å; F74-S78 VanDerWaalsContact O-N 3.17Å; F74-S78 PolarHBondContact O-OG 2.9Å; E75-S78 WeakPolarHBondContact O-CB 3.44Å; E75-S78 PolarHBondContact O-N 3.44Å; K76-S78 VanDerWaalsContact C-N 3.25Å; K76-S78 PolarHBondContact O-N 3.45Å |
| 79 | H | 58.4 | Low | 69.8 | Low | 144 Ų | 144 | 109.2 Ų | 109.2 | 67% | 0.667 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80.5 | -20.5 | 177.4 | -75 | 83.2 | 0 | 0 | 0 | 114.3 | E75 K76 | E75-H79 PolarHBondContact O-N 3.09Å; E75-H79 PolarHBondContact O-ND1 3.46Å; E75-H79 IonicContact OE1-CE1 3.9Å; K76-H79 PolarHBondContact O-N 3.17Å |
| 80 | V | 59.8 | Low | 69.1 | Low | 115 Ų | 115 | 109.8 Ų | 109.8 | 70% | 0.697 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -86.4 | -11.4 | -179.2 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | K76 V77 | K76-V80 VanDerWaalsContact O-CG2 3.29Å; K76-V80 WeakPolarHBondContact O-CG2 3.29Å; K76-V80 PolarHBondContact O-N 3.35Å; V77-V80 PolarHBondContact O-N 3.2Å |
| 81 | S | 58.2 | Low | 68.3 | Low | 101 Ų | 101 | 113 Ų | 113 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 16.9 | -178.9 | -53 | 0 | 0 | 0 | 0 | 113.9 | V77 | V77-S81 PolarHBondContact O-OG 3.42Å; V77-S81 VanDerWaalsContact O-OG 3.09Å |
| 82 | G | 50.2 | Low | 67.4 | Low | 136 Ų | 136 | 114.1 Ų | 114.1 | 100% | 1.402 | 65% | 0.653 | S | S | * | * | | | trans | -100.4 | 0 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |