| 1 | M | 33.9 | Very low | 42.5 | Very low | 210 Ų | 210 | 111 Ų | 111 | 100% | 1.034 | 66% | 0.659 | S | S | * | * | | | | 0 | 104.6 | 0 | -171.1 | 106.8 | 88.5 | 0 | 0 | 107.2 | S3 K33 | M1-S3 PolarHBondContact O-N 3.21Å; M1-K33 PolarHBondContact SD-NZ 2.98Å |
| 2 | A | 29.8 | Very low | 43.2 | Very low | 86 Ų | 86 | 113.3 Ų | 113.3 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | | | trans | -59.2 | 132.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L4 | A2-L4 PolarHBondContact O-N 2.96Š|
| 3 | S | 37.5 | Very low | 43.5 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 85% | 0.846 | 68% | 0.68 | S | S | * | * | | | trans | -58 | 99.3 | 176.7 | -169.4 | 0 | 0 | 0 | 0 | 109.3 | M1 K5 | M1-S3 PolarHBondContact O-N 3.21Å; S3-K5 PolarHBondContact O-N 3.42Å |
| 4 | L | 43.1 | Very low | 43.8 | Very low | 118 Ų | 118 | 110.9 Ų | 110.9 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | | | trans | -81.5 | 101.7 | 175.4 | -70.7 | 172 | 0 | 0 | 0 | 107 | A2 C6 K33 | A2-L4 PolarHBondContact O-N 2.96Å; L4-C6 PolarHBondContact O-N 2.73Å; L4-C6 VanDerWaalsContact O-N 3.08Å; L4-K33 VanDerWaalsContact CD1-CE 3.49Å |
| 5 | K | 37.8 | Very low | 44.4 | Very low | 187 Ų | 187 | 113.1 Ų | 113.1 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | | | trans | -20.4 | 109.2 | 162.9 | -62.8 | 166.3 | -178.6 | -179 | 0 | 110.1 | S3 S7 | S3-K5 PolarHBondContact O-N 3.42Å; K5-S7 PolarHBondContact O-N 3.08Å |
| 6 | C | 42.4 | Very low | 44.7 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 89% | 0.885 | 67% | 0.665 | S | S | * | * | | | trans | -68.6 | 60.2 | 175.2 | -66 | 0 | 0 | 0 | 0 | 110.4 | L4 T8 | L4-C6 PolarHBondContact O-N 2.73Å; L4-C6 VanDerWaalsContact O-N 3.08Å; C6-T8 PolarHBondContact O-N 3.29Å |
| 7 | S | 46.9 | Very low | 45 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | | | trans | -68.1 | 117.4 | 161.1 | -64.7 | 0 | 0 | 0 | 0 | 105.7 | K5 V9 | K5-S7 PolarHBondContact O-N 3.08Å; S7-V9 PolarHBondContact O-N 2.86Å |
| 8 | T | 45.9 | Very low | 45.3 | Very low | 94 Ų | 94 | 113.9 Ų | 113.9 | 58% | 0.577 | 64% | 0.643 | S | S | * | * | | | trans | -53.8 | 103.5 | 178.1 | -23.3 | 0 | 0 | 0 | 0 | 107.5 | C6 V10 | C6-T8 PolarHBondContact O-N 3.29Å; T8-V10 VanDerWaalsContact C-N 3.27Å; T8-V10 PolarHBondContact O-N 3.33Å |
| 9 | V | 52.2 | Low | 45.6 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 53% | 0.527 | 65% | 0.651 | S | S | . | * | | | trans | -71.6 | 90.4 | -179.5 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | S7 | S7-V9 PolarHBondContact O-N 2.86Š|
| 10 | V | 50.4 | Low | 45.9 | Very low | 64 Ų | 64 | 122.3 Ų | 122.3 | 39% | 0.388 | 66% | 0.66 | S | S | . | * | | | trans | -73.8 | 130.6 | 170.9 | -176.8 | 0 | 0 | 0 | 0 | 106.9 | T8 V12 | T8-V10 VanDerWaalsContact C-N 3.27Å; T8-V10 PolarHBondContact O-N 3.33Å; V10-V12 PolarHBondContact O-N 2.85Å |
| 11 | C | 47.9 | Very low | 46 | Very low | 31 Ų | 31 | 125.5 Ų | 125.5 | 21% | 0.209 | 66% | 0.663 | C | S | . | * | | | trans | -64.4 | 118.6 | 171 | -69.9 | 0 | 0 | 0 | 0 | 108 | I13 C14 L15 | C11-I13 PolarHBondContact O-N 3.4Å; C11-C14 HydrophobicContact CB-CB 4.05Å; C11-C14 PolarHBondContact O-N 3.26Å; C11-L15 PolarHBondContact O-N 3.32Å |
| 12 | V | 50.9 | Low | 46.6 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 84% | 0.836 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -14.8 | 177.9 | -65.4 | 0 | 0 | 0 | 0 | 113.6 | V10 | V10-V12 PolarHBondContact O-N 2.85Š|
| 13 | I | 46.6 | Very low | 47.5 | Very low | 146 Ų | 146 | 118 Ų | 118 | 75% | 0.749 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -37.6 | 176.2 | -57.6 | 178.2 | 0 | 0 | 0 | 111.7 | C11 | C11-I13 PolarHBondContact O-N 3.4Š|
| 14 | C | 48.3 | Very low | 47.8 | Very low | 47 Ų | 47 | 116.1 Ų | 116.1 | 32% | 0.318 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.2 | -22.7 | -170 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | C11 E16 | C11-C14 HydrophobicContact CB-CB 4.05Å; C11-C14 PolarHBondContact O-N 3.26Å; C14-E16 PolarHBondContact O-N 3.17Å |
| 15 | L | 51.9 | Low | 48.2 | Very low | 144 Ų | 144 | 113.2 Ų | 113.2 | 75% | 0.754 | 60% | 0.603 | S | S | * | * | | | trans | 49.8 | -8.4 | -173.4 | -89 | 99.2 | 0 | 0 | 0 | 116.9 | C11 | C11-L15 PolarHBondContact O-N 3.32Š|
| 16 | E | 50.2 | Low | 48.8 | Very low | 157 Ų | 157 | 115.3 Ų | 115.3 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -87.2 | 144.5 | 179 | -71.8 | -170.9 | 96.7 | 0 | 0 | 111.4 | C14 P18 | C14-E16 PolarHBondContact O-N 3.17Å; E16-P18 WeakPolarHBondContact O-CD 3.33Å |
| 17 | K | 49.2 | Very low | 49 | Very low | 166 Ų | 166 | 111.4 Ų | 111.4 | 72% | 0.722 | 58% | 0.578 | S | S | * | * | | | trans | -65.3 | 114.6 | -177.3 | -163.7 | 152.6 | -179.4 | 179 | 0 | 109.2 | K19 | K17-K19 PolarHBondContact O-N 3.48Š|
| 18 | P | 51.6 | Low | 48.9 | Very low | 31 Ų | 31 | 109.8 Ų | 109.8 | 20% | 0.201 | 57% | 0.565 | C | S | . | * | | | trans | -72.5 | 102.1 | -171 | 27.8 | -32.9 | 0 | 0 | 0 | 109.1 | E16 | E16-P18 WeakPolarHBondContact O-CD 3.33Š|
| 19 | K | 50.5 | Low | 49.1 | Very low | 187 Ų | 187 | 111.2 Ų | 111.2 | 81% | 0.813 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -72.4 | -30.6 | -174.6 | -127.5 | 162.2 | -175.5 | 175.2 | 0 | 112.6 | K17 | K17-K19 PolarHBondContact O-N 3.48Š|
| 20 | Y | 51 | Low | 48.8 | Very low | 209 Ų | 209 | 111.3 Ų | 111.3 | 82% | 0.82 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -153.9 | -22.9 | 168.4 | -88 | -73.4 | 0 | 0 | 0 | 117.7 | | |
| 21 | R | 49 | Very low | 48.6 | Very low | 190 Ų | 190 | 111.6 Ų | 111.6 | 72% | 0.717 | 57% | 0.573 | S | S | * | * | | | trans | -167.2 | 140.5 | 175.5 | -99.8 | 151.6 | -168.6 | -179.4 | 3.4 | 107.9 | P23 | R21-P23 VanDerWaalsContact O-CD 3.31Å; R21-P23 WeakPolarHBondContact O-CD 3.31Å |
| 22 | C | 45.1 | Very low | 48.7 | Very low | 21 Ų | 21 | 112.7 Ų | 112.7 | 14% | 0.142 | 58% | 0.576 | C | S | . | * | | | trans | -78.8 | 115.5 | 174 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | A24 C25 R26 | C22-A24 PolarHBondContact O-N 3.24Å; C22-C25 HydrophobicContact CB-CB 3.98Å; C22-C25 PolarHBondContact O-N 3.43Å; C22-R26 PolarHBondContact O-N 3.49Å; C22-R26 VanDerWaalsContact O-N 3.15Å |
| 23 | P | 48.3 | Very low | 48.4 | Very low | 118 Ų | 118 | 111.7 Ų | 111.7 | 77% | 0.766 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -22.3 | -177.3 | 26.8 | -33.6 | 0 | 0 | 0 | 112.9 | R21 | R21-P23 VanDerWaalsContact O-CD 3.31Å; R21-P23 WeakPolarHBondContact O-CD 3.31Å |
| 24 | A | 44.4 | Very low | 48.1 | Very low | 80 Ų | 80 | 110.5 Ų | 110.5 | 66% | 0.661 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -34.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C22 | C22-A24 PolarHBondContact O-N 3.24Š|
| 25 | C | 52.4 | Low | 47.7 | Very low | 58 Ų | 58 | 112.8 Ų | 112.8 | 39% | 0.392 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -22.6 | -176.7 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | C22 V27 | C22-C25 HydrophobicContact CB-CB 3.98Å; C22-C25 PolarHBondContact O-N 3.43Å; C25-V27 WeakPolarHBondContact O-CG2 3.05Å; C25-V27 PolarHBondContact O-N 3.02Å |
| 26 | R | 50.3 | Low | 47.4 | Very low | 231 Ų | 231 | 111.9 Ų | 111.9 | 87% | 0.872 | 56% | 0.563 | S | S | * | * | | | trans | 45 | 21 | -175.7 | -65.5 | -169.7 | -174.2 | -171.5 | 3.1 | 114.7 | C22 | C22-R26 PolarHBondContact O-N 3.49Å; C22-R26 VanDerWaalsContact O-N 3.15Å |
| 27 | V | 45.4 | Very low | 46.8 | Very low | 48 Ų | 48 | 111.6 Ų | 111.6 | 29% | 0.291 | 57% | 0.566 | S | S | . | * | | | trans | -101 | 122.1 | -178.3 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | C25 L32 | C25-V27 WeakPolarHBondContact O-CG2 3.05Å; C25-V27 PolarHBondContact O-N 3.02Å; V27-L32 HydrophobicContact CB-CD2 4.15Å; V27-L32 HydrophobicContact CG1-CD2 3.8Å; V27-L32 HydrophobicContact CG1-CG 3.95Å |
| 28 | P | 46.6 | Very low | 46.4 | Very low | 58 Ų | 58 | 113.7 Ų | 113.7 | 38% | 0.377 | 57% | 0.569 | S | S | . | * | | | trans | -67.4 | 137.9 | 166.9 | 26.5 | -29.6 | 0 | 0 | 0 | 109.2 | A30 T31 | P28-A30 PolarHBondContact O-N 2.93Å; P28-T31 PolarHBondContact O-N 3.2Å; P28-T31 PolarHBondContact O-OG1 2.79Å |
| 29 | Y | 50.1 | Low | 45.9 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 49% | 0.486 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -45 | -24.7 | -178.2 | -81.8 | -89 | 0 | 0 | 0 | 115.3 | T31 L32 | Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 3.48Å; Y29-L32 HydrophobicContact CD1-CD1 4.16Å |
| 30 | A | 45.4 | Very low | 45.5 | Very low | 90 Ų | 90 | 125 Ų | 125 | 74% | 0.744 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -32.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P28 | P28-A30 PolarHBondContact O-N 2.93Š|
| 31 | T | 45.3 | Very low | 45.2 | Very low | 69 Ų | 69 | 120.9 Ų | 120.9 | 42% | 0.423 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | -18.1 | -175 | -26.3 | 0 | 0 | 0 | 0 | 113 | P28 Y29 K33 L34 V35 | P28-T31 PolarHBondContact O-N 3.2Å; P28-T31 PolarHBondContact O-OG1 2.79Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 3.48Å; T31-K33 PolarHBondContact O-N 2.92Å; T31-K33 VanDerWaalsContact O-N 3.17Å; T31-L34 PolarHBondContact O-N 2.98Å; T31-V35 PolarHBondContact O-N 3.23Å |
| 32 | L | 51.3 | Low | 45 | Very low | 55 Ų | 55 | 117.2 Ų | 117.2 | 29% | 0.288 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.7 | -25.2 | 179 | -67.1 | 176.3 | 0 | 0 | 0 | 112.6 | V27 Y29 L34 V35 L36 | V27-L32 HydrophobicContact CB-CD2 4.15Å; V27-L32 HydrophobicContact CG1-CD2 3.8Å; V27-L32 HydrophobicContact CG1-CG 3.95Å; Y29-L32 HydrophobicContact CD1-CD1 4.16Å; L32-L34 PolarHBondContact O-N 2.68Å; L32-V35 PolarHBondContact O-N 3.03Å; L32-L36 PolarHBondContact O-N 3.15Å |
| 33 | K | 44.3 | Very low | 45 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 50% | 0.504 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.7 | -22.4 | 174.7 | -121.7 | -180 | -175.2 | 173.5 | 0 | 113.6 | M1 L4 T31 | M1-K33 PolarHBondContact SD-NZ 2.98Å; L4-K33 VanDerWaalsContact CD1-CE 3.49Å; T31-K33 PolarHBondContact O-N 2.92Å; T31-K33 VanDerWaalsContact O-N 3.17Å |
| 34 | L | 39.9 | Very low | 44.8 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -101.1 | -26.6 | -176.3 | -139.4 | 147.6 | 0 | 0 | 0 | 112.3 | T31 L32 | T31-L34 PolarHBondContact O-N 2.98Å; L32-L34 PolarHBondContact O-N 2.68Å |
| 35 | V | 39.3 | Very low | 44.9 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -84.4 | -35.2 | -179.3 | 178.5 | 0 | 0 | 0 | 0 | 112.5 | T31 L32 L37 R38 | T31-V35 PolarHBondContact O-N 3.23Å; L32-V35 PolarHBondContact O-N 3.03Å; V35-L37 VanDerWaalsContact C-N 3.3Å; V35-L37 PolarHBondContact O-N 2.8Å; V35-R38 PolarHBondContact O-N 3.3Å |
| 36 | L | 46.3 | Very low | 44.4 | Very low | 126 Ų | 126 | 130 Ų | 130 | 66% | 0.66 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -73.8 | -17.4 | 178.1 | -95.4 | 142.2 | 0 | 0 | 0 | 114.1 | L32 R38 | L32-L36 PolarHBondContact O-N 3.15Å; L36-R38 VanDerWaalsContact C-N 3.3Å |
| 37 | L | 37.1 | Very low | 43.9 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 79% | 0.791 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -84.2 | -3.2 | 175.2 | -141.3 | 99.1 | 0 | 0 | 0 | 113.4 | V35 | V35-L37 VanDerWaalsContact C-N 3.3Å; V35-L37 PolarHBondContact O-N 2.8Å |
| 38 | R | 41.2 | Very low | 43.8 | Very low | 209 Ų | 209 | 128.5 Ų | 128.5 | 79% | 0.789 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -110.6 | 10.6 | -179 | -69.8 | -72.3 | -176.4 | 138.3 | -0.6 | 113.4 | V35 L36 K40 | V35-R38 PolarHBondContact O-N 3.3Å; L36-R38 VanDerWaalsContact C-N 3.3Å; R38-K40 VanDerWaalsContact C-N 3.29Å |
| 39 | K | 39.8 | Very low | 43.6 | Very low | 197 Ų | 197 | 134.4 Ų | 134.4 | 86% | 0.857 | 66% | 0.657 | S | S | * | * | | | trans | -97.8 | 47.5 | 170.1 | -105 | -95.8 | -178.8 | 169 | 0 | 110.3 | | |
| 40 | K | 43.1 | Very low | 43 | Very low | 260 Ų | 260 | 135.4 Ų | 135.4 | 100% | 1.13 | 67% | 0.672 | S | S | * | * | | | trans | -124.9 | 0 | 158.9 | -172.6 | 164.9 | -174.9 | 171.7 | 0 | 107.9 | R38 | R38-K40 VanDerWaalsContact C-N 3.29Š|