| 1 | M | 52.4 | Low | 72.7 | Confident | 251 Ų | 251 | 162.8 Ų | 162.8 | 100% | 1.236 | 86% | 0.856 | S | S | * | * | | | | 0 | 114.4 | 0 | -74.5 | 175.2 | -76.4 | 0 | 0 | 108.1 | | |
| 2 | G | 55.2 | Low | 74 | Confident | 71 Ų | 71 | 159.8 Ų | 159.8 | 73% | 0.732 | 85% | 0.853 | S | S | * | * | | | cis | -164 | 136.5 | -7.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | K4 | G2-K4 PolarHBondContact O-N 3.15Å; G2-K4 VanDerWaalsContact O-N 3.15Å |
| 3 | S | 65.8 | Low | 75 | Confident | 127 Ų | 127 | 157.6 Ų | 157.6 | 89% | 0.888 | 85% | 0.85 | S | S | * | * | | | trans | -70.4 | 108.4 | 180 | -58 | 0 | 0 | 0 | 0 | 109.1 | A5 | S3-A5 PolarHBondContact O-N 2.95Š|
| 4 | K | 66.6 | Low | 76.2 | Confident | 208 Ų | 208 | 162.1 Ų | 162.1 | 90% | 0.904 | 85% | 0.848 | S | S | * | * | | | trans | -64.4 | 101.4 | 170.4 | -86.8 | -171.4 | 163 | 119.5 | 0 | 108.5 | G2 K6 | G2-K4 PolarHBondContact O-N 3.15Å; G2-K4 VanDerWaalsContact O-N 3.15Å; K4-K6 PolarHBondContact O-N 3.07Å |
| 5 | A | 71.9 | Confident | 77.2 | Confident | 98 Ų | 98 | 158.3 Ų | 158.3 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | | | trans | -61.9 | 119.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S3 K7 | S3-A5 PolarHBondContact O-N 2.95Å; A5-K7 PolarHBondContact O-N 3.25Å; A5-K7 VanDerWaalsContact O-N 3.07Å |
| 6 | K | 73.5 | Confident | 78.1 | Confident | 203 Ų | 203 | 154.1 Ų | 154.1 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | | | trans | -78.1 | 96.6 | 178.3 | -153.1 | 145.9 | 87 | 142.2 | 0 | 108.3 | K4 R8 | K4-K6 PolarHBondContact O-N 3.07Å; K6-R8 PolarHBondContact O-N 3.31Å |
| 7 | K | 78.2 | Confident | 79 | Confident | 197 Ų | 197 | 150.9 Ų | 150.9 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | | | trans | -61.4 | 107.3 | 179.1 | -156.7 | 176 | -176.4 | 178.9 | 0 | 108.1 | A5 V9 | A5-K7 PolarHBondContact O-N 3.25Å; A5-K7 VanDerWaalsContact O-N 3.07Å; K7-V9 PolarHBondContact O-N 3.46Å; K7-V9 VanDerWaalsContact O-N 3.14Å |
| 8 | R | 80.8 | Confident | 79.9 | Confident | 220 Ų | 220 | 147.4 Ų | 147.4 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | | | trans | -66.5 | 111.9 | 174.6 | -68.6 | -179.7 | 66.7 | -173.8 | -0.1 | 107.3 | K6 L10 | K6-R8 PolarHBondContact O-N 3.31Å; R8-L10 PolarHBondContact O-N 3.02Å |
| 9 | V | 82.8 | Confident | 80.8 | Confident | 124 Ų | 124 | 143.7 Ų | 143.7 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | -71 | 115.9 | 168.4 | 175.8 | 0 | 0 | 0 | 0 | 106.3 | K7 L11 | K7-V9 PolarHBondContact O-N 3.46Å; K7-V9 VanDerWaalsContact O-N 3.14Å; V9-L11 PolarHBondContact O-N 3.14Å |
| 10 | L | 84.4 | Confident | 81.6 | Confident | 151 Ų | 151 | 141.9 Ų | 141.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 116.6 | 171.1 | -65.5 | 178.9 | 0 | 0 | 0 | 107.4 | R8 | R8-L10 PolarHBondContact O-N 3.02Š|
| 11 | L | 88 | Confident | 82.3 | Confident | 141 Ų | 141 | 140.1 Ų | 140.1 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 150.4 | 171.5 | -64.8 | 178.4 | 0 | 0 | 0 | 109.3 | V9 T13 | V9-L11 PolarHBondContact O-N 3.14Å; L11-T13 PolarHBondContact O-N 3.42Å |
| 12 | P | 88.1 | Confident | 84.4 | Confident | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 137.9 | 167.7 | -23.5 | 33.6 | 0 | 0 | 0 | 110.4 | | |
| 13 | T | 87.8 | Confident | 86.3 | Confident | 132 Ų | 132 | 133.2 Ų | 133.2 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 146.4 | 173.9 | 51 | 0 | 0 | 0 | 0 | 110.2 | L11 | L11-T13 PolarHBondContact O-N 3.42Š|
| 14 | R | 91.4 | Very high | 87.7 | Confident | 220 Ų | 220 | 131 Ų | 131 | 83% | 0.83 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -61 | 138.9 | 169.4 | -172.3 | -173.2 | 174.7 | 177 | -0.7 | 109.2 | | |
| 15 | P | 90.6 | Very high | 89.1 | Confident | 106 Ų | 106 | 126.2 Ų | 126.2 | 69% | 0.688 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 155.5 | 170.1 | 26 | -34.6 | 0 | 0 | 0 | 110.7 | | |
| 16 | A | 91.8 | Very high | 90.1 | Very high | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 144.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 17 | P | 94.6 | Very high | 90.9 | Very high | 101 Ų | 101 | 121.1 Ų | 121.1 | 66% | 0.656 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -60 | 152 | 171.6 | 27.9 | -34 | 0 | 0 | 0 | 110.1 | | |
| 18 | P | 94.9 | Very high | 91.6 | Very high | 88 Ų | 88 | 119.8 Ų | 119.8 | 57% | 0.571 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 150.6 | 176.5 | 27.4 | -34.5 | 0 | 0 | 0 | 110.9 | | |
| 19 | T | 96.1 | Very high | 92 | Very high | 77 Ų | 77 | 112.5 Ų | 112.5 | 47% | 0.472 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -79.1 | 160.6 | 174.3 | 63.3 | 0 | 0 | 0 | 0 | 111 | E21 Q22 I23 | T19-E21 PolarHBondContact O-N 2.91Å; T19-Q22 PolarHBondContact O-N 3.38Å; T19-Q22 WeakPolarHBondContact OG1-CG 3.37Å; T19-Q22 PolarHBondContact OG1-OE1 2.76Å; T19-I23 WeakPolarHBondContact O-CG1 3.35Å; T19-I23 PolarHBondContact O-N 3.04Å |
| 20 | V | 96.8 | Very high | 92.4 | Very high | 107 Ų | 107 | 107.8 Ų | 107.8 | 65% | 0.648 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -58.2 | -39.5 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | Q22 I23 L24 | V20-Q22 VanDerWaalsContact C-N 3.34Å; V20-Q22 PolarHBondContact O-N 3.3Å; V20-I23 PolarHBondContact O-N 3.47Å; V20-L24 HydrophobicContact CG1-CD1 4.05Å; V20-L24 HydrophobicContact CG1-CG 4.31Å; V20-L24 WeakPolarHBondContact O-CG 3.23Å; V20-L24 PolarHBondContact O-N 3.33Å |
| 21 | E | 97 | Very high | 92.7 | Very high | 105 Ų | 105 | 104.5 Ų | 104.5 | 49% | 0.491 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.4 | -46 | -179.5 | -168 | 62 | -156.4 | 0 | 0 | 111.4 | T19 I23 L24 E25 R28 | T19-E21 PolarHBondContact O-N 2.91Å; E21-I23 VanDerWaalsContact C-N 3.3Å; E21-I23 PolarHBondContact O-N 2.91Å; E21-L24 PolarHBondContact O-N 3.3Å; E21-L24 VanDerWaalsContact O-N 3.08Å; E21-E25 WeakPolarHBondContact O-CG 3.24Å; E21-E25 PolarHBondContact O-N 3.49Å; E21-R28 IonicContact OE1-NH2 3.58Å |
| 22 | Q | 95.9 | Very high | 92.4 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 43% | 0.425 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.8 | -39 | 178.3 | -68.4 | 170.3 | -79.5 | 0 | 0 | 112.2 | T19 V20 L24 E25 D26 | T19-Q22 PolarHBondContact O-N 3.38Å; T19-Q22 WeakPolarHBondContact OG1-CG 3.37Å; T19-Q22 PolarHBondContact OG1-OE1 2.76Å; V20-Q22 VanDerWaalsContact C-N 3.34Å; V20-Q22 PolarHBondContact O-N 3.3Å; Q22-L24 VanDerWaalsContact C-N 3.32Å; Q22-L24 PolarHBondContact O-N 3.01Å; Q22-E25 PolarHBondContact O-N 2.85Å; Q22-D26 PolarHBondContact O-N 3.31Å |
| 23 | I | 95.5 | Very high | 92.3 | Very high | 85 Ų | 85 | 103 Ų | 103 | 44% | 0.436 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.4 | -41.6 | 176.3 | -63.2 | 166.4 | 0 | 0 | 0 | 110.1 | T19 V20 E21 D26 V27 | T19-I23 WeakPolarHBondContact O-CG1 3.35Å; T19-I23 PolarHBondContact O-N 3.04Å; V20-I23 PolarHBondContact O-N 3.47Å; E21-I23 VanDerWaalsContact C-N 3.3Å; E21-I23 PolarHBondContact O-N 2.91Å; I23-D26 PolarHBondContact O-N 2.88Å; I23-V27 HydrophobicContact CG2-CG2 4.44Å; I23-V27 VanDerWaalsContact O-CG2 3.29Å; I23-V27 WeakPolarHBondContact O-CG2 3.45Å; I23-V27 PolarHBondContact O-N 3.29Å |
| 24 | L | 95.1 | Very high | 92.1 | Very high | 82 Ų | 82 | 98.8 Ų | 98.8 | 43% | 0.429 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.7 | -33.6 | 178.4 | -66.6 | 175.7 | 0 | 0 | 0 | 112.4 | V20 E21 Q22 R28 | V20-L24 HydrophobicContact CG1-CD1 4.05Å; V20-L24 HydrophobicContact CG1-CG 4.31Å; V20-L24 WeakPolarHBondContact O-CG 3.23Å; V20-L24 PolarHBondContact O-N 3.33Å; E21-L24 PolarHBondContact O-N 3.3Å; E21-L24 VanDerWaalsContact O-N 3.08Å; Q22-L24 VanDerWaalsContact C-N 3.32Å; Q22-L24 PolarHBondContact O-N 3.01Å; L24-R28 WeakPolarHBondContact O-CB 3.37Å; L24-R28 WeakPolarHBondContact O-CG 3.21Å; L24-R28 PolarHBondContact O-N 2.98Å; L24-R28 PolarHBondContact O-NE 3.36Å |
| 25 | E | 95.7 | Very high | 91.6 | Very high | 107 Ų | 107 | 92.4 Ų | 92.4 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 169.4 | -70.5 | 178.8 | 102.2 | 0 | 0 | 111.1 | E21 Q22 V27 R28 G29 | E21-E25 WeakPolarHBondContact O-CG 3.24Å; E21-E25 PolarHBondContact O-N 3.49Å; Q22-E25 PolarHBondContact O-N 2.85Å; E25-V27 PolarHBondContact O-N 2.82Å; E25-R28 PolarHBondContact O-N 3.24Å; E25-G29 PolarHBondContact O-N 2.86Å |
| 26 | D | 92.4 | Very high | 91.2 | Very high | 123 Ų | 123 | 92.4 Ų | 92.4 | 66% | 0.658 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.5 | -44.5 | 178.6 | -73.1 | -12 | 0 | 0 | 0 | 112 | Q22 I23 R28 G29 A30 | Q22-D26 PolarHBondContact O-N 3.31Å; I23-D26 PolarHBondContact O-N 2.88Å; D26-R28 PolarHBondContact O-N 3.05Å; D26-G29 PolarHBondContact O-N 3.05Å; D26-A30 PolarHBondContact O-N 3.47Å |
| 27 | V | 92 | Very high | 90.7 | Very high | 71 Ų | 71 | 93 Ų | 93 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 177.9 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | I23 E25 A30 F37 | I23-V27 HydrophobicContact CG2-CG2 4.44Å; I23-V27 VanDerWaalsContact O-CG2 3.29Å; I23-V27 WeakPolarHBondContact O-CG2 3.45Å; I23-V27 PolarHBondContact O-N 3.29Å; E25-V27 PolarHBondContact O-N 2.82Å; V27-A30 PolarHBondContact O-N 3.08Å; V27-F37 HydrophobicContact CG2-CE1 4.23Å; V27-F37 HydrophobicContact CG2-CZ 4.31Å |
| 28 | R | 91.2 | Very high | 89.8 | Confident | 169 Ų | 169 | 90.9 Ų | 90.9 | 64% | 0.638 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.9 | -29.8 | 178.7 | -72 | 178.8 | -63.1 | -170.9 | -0.1 | 112.7 | E21 L24 E25 D26 A30 | E21-R28 IonicContact OE1-NH2 3.58Å; L24-R28 WeakPolarHBondContact O-CB 3.37Å; L24-R28 WeakPolarHBondContact O-CG 3.21Å; L24-R28 PolarHBondContact O-N 2.98Å; L24-R28 PolarHBondContact O-NE 3.36Å; E25-R28 PolarHBondContact O-N 3.24Å; D26-R28 PolarHBondContact O-N 3.05Å; R28-A30 VanDerWaalsContact C-N 3.34Å |
| 29 | G | 90.6 | Very high | 88.6 | Confident | 66 Ų | 66 | 93.3 Ų | 93.3 | 68% | 0.68 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -80.5 | -13.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E25 D26 | E25-G29 PolarHBondContact O-N 2.86Å; D26-G29 PolarHBondContact O-N 3.05Å |
| 30 | A | 91.4 | Very high | 87.1 | Confident | 26 Ų | 26 | 96.7 Ų | 96.7 | 22% | 0.215 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -66.4 | 143 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D26 V27 R28 F37 | D26-A30 PolarHBondContact O-N 3.47Å; V27-A30 PolarHBondContact O-N 3.08Å; R28-A30 VanDerWaalsContact C-N 3.34Å; A30-F37 HydrophobicContact CB-CD2 3.87Å; A30-F37 HydrophobicContact CB-CE2 3.57Å |
| 31 | P | 89.4 | Confident | 85.3 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | | | trans | -56.8 | 143.8 | 169.7 | -21.8 | 32.7 | 0 | 0 | 0 | 111.2 | E33 D34 | P31-E33 PolarHBondContact O-N 2.94Å; P31-D34 HydrophobicContact CB-CB 4.47Å; P31-D34 VanDerWaalsContact O-CB 3.26Å; P31-D34 WeakPolarHBondContact O-CB 3.22Å; P31-D34 PolarHBondContact O-N 3.35Å |
| 32 | A | 82.8 | Confident | 83.4 | Confident | 85 Ų | 85 | 94.8 Ų | 94.8 | 70% | 0.702 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | T38 | A32-T38 PolarHBondContact O-OG1 3.23Š|
| 33 | E | 85.8 | Confident | 81.4 | Confident | 151 Ų | 151 | 99.6 Ų | 99.6 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 7.3 | 176.1 | -49.9 | 89.6 | 95.4 | 0 | 0 | 113.2 | P31 P35 | P31-E33 PolarHBondContact O-N 2.94Å; E33-P35 VanDerWaalsContact O-CD 3.23Å; E33-P35 WeakPolarHBondContact O-CD 3.42Å |
| 34 | D | 84.3 | Confident | 79.5 | Confident | 44 Ų | 44 | 99.1 Ų | 99.1 | 24% | 0.235 | 58% | 0.575 | C | S | . | * | | | trans | -63.2 | 117.5 | 177 | -173.8 | -40.8 | 0 | 0 | 0 | 109.6 | P31 V36 F37 T38 | P31-D34 HydrophobicContact CB-CB 4.47Å; P31-D34 VanDerWaalsContact O-CB 3.26Å; P31-D34 WeakPolarHBondContact O-CB 3.22Å; P31-D34 PolarHBondContact O-N 3.35Å; D34-V36 PolarHBondContact O-N 3.07Å; D34-V36 WeakPolarHBondContact OD1-CB 3.26Å; D34-V36 WeakPolarHBondContact OD1-CG2 3.29Å; D34-V36 PolarHBondContact OD1-N 3.49Å; D34-F37 HydrophobicContact CB-CD2 3.91Å; D34-F37 PolarHBondContact O-N 2.93Å; D34-T38 PolarHBondContact O-N 3.18Å; D34-T38 PolarHBondContact O-OG1 3.27Å |
| 35 | P | 79.6 | Confident | 77.4 | Confident | 85 Ų | 85 | 102.4 Ų | 102.4 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -56.1 | -30.4 | -177.1 | -25.2 | 34.7 | 0 | 0 | 0 | 113.4 | E33 F37 I39 | E33-P35 VanDerWaalsContact O-CD 3.23Å; E33-P35 WeakPolarHBondContact O-CD 3.42Å; P35-F37 PolarHBondContact O-N 3Å; P35-I39 HydrophobicContact CB-CD1 4.31Å; P35-I39 WeakPolarHBondContact O-CB 3.41Å; P35-I39 WeakPolarHBondContact O-CD1 3.1Å; P35-I39 WeakPolarHBondContact O-CG1 3.46Å; P35-I39 PolarHBondContact O-N 3.41Å; P35-I39 VanDerWaalsContact O-N 3.13Å |
| 36 | V | 82.8 | Confident | 75.2 | Confident | 107 Ų | 107 | 103.7 Ų | 103.7 | 65% | 0.648 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.9 | -31.5 | 177.3 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | D34 | D34-V36 PolarHBondContact O-N 3.07Å; D34-V36 WeakPolarHBondContact OD1-CB 3.26Å; D34-V36 WeakPolarHBondContact OD1-CG2 3.29Å; D34-V36 PolarHBondContact OD1-N 3.49Å |
| 37 | F | 80.8 | Confident | 72.8 | Confident | 102 Ų | 102 | 108.6 Ų | 108.6 | 45% | 0.447 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -104.7 | -29.1 | -179 | -58.2 | -68.8 | 0 | 0 | 0 | 113.1 | V27 A30 D34 P35 | V27-F37 HydrophobicContact CG2-CE1 4.23Å; V27-F37 HydrophobicContact CG2-CZ 4.31Å; A30-F37 HydrophobicContact CB-CD2 3.87Å; A30-F37 HydrophobicContact CB-CE2 3.57Å; D34-F37 HydrophobicContact CB-CD2 3.91Å; D34-F37 PolarHBondContact O-N 2.93Å; P35-F37 PolarHBondContact O-N 3Å |
| 38 | T | 75.3 | Confident | 70.9 | Confident | 57 Ų | 57 | 108.9 Ų | 108.9 | 35% | 0.35 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -82.8 | -23.3 | -178.1 | -41.6 | 0 | 0 | 0 | 0 | 113.9 | A32 D34 L40 A41 | A32-T38 PolarHBondContact O-OG1 3.23Å; D34-T38 PolarHBondContact O-N 3.18Å; D34-T38 PolarHBondContact O-OG1 3.27Å; T38-L40 PolarHBondContact O-N 3.31Å; T38-L40 VanDerWaalsContact O-N 3.08Å; T38-A41 HydrophobicContact CG2-CB 4.35Å; T38-A41 VanDerWaalsContact O-CB 3.27Å; T38-A41 WeakPolarHBondContact O-CB 3.42Å; T38-A41 PolarHBondContact O-N 3.35Å |
| 39 | I | 71.1 | Confident | 69.2 | Low | 138 Ų | 138 | 107.5 Ų | 107.5 | 71% | 0.708 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -25.6 | 177.4 | -71.1 | 162.3 | 0 | 0 | 0 | 112.3 | P35 | P35-I39 HydrophobicContact CB-CD1 4.31Å; P35-I39 WeakPolarHBondContact O-CB 3.41Å; P35-I39 WeakPolarHBondContact O-CD1 3.1Å; P35-I39 WeakPolarHBondContact O-CG1 3.46Å; P35-I39 PolarHBondContact O-N 3.41Å; P35-I39 VanDerWaalsContact O-N 3.13Å |
| 40 | L | 63.3 | Low | 67.3 | Low | 149 Ų | 149 | 111.8 Ų | 111.8 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -6.3 | 178.3 | -59.9 | 178.3 | 0 | 0 | 0 | 113.2 | T38 P42 | T38-L40 PolarHBondContact O-N 3.31Å; T38-L40 VanDerWaalsContact O-N 3.08Å; L40-P42 VanDerWaalsContact O-CD 3.24Å; L40-P42 WeakPolarHBondContact O-CD 3.02Å |
| 41 | A | 60.6 | Low | 65.4 | Low | 53 Ų | 53 | 118.6 Ų | 118.6 | 44% | 0.438 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -71.3 | 115.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | T38 E43 | T38-A41 HydrophobicContact CG2-CB 4.35Å; T38-A41 VanDerWaalsContact O-CB 3.27Å; T38-A41 WeakPolarHBondContact O-CB 3.42Å; T38-A41 PolarHBondContact O-N 3.35Å; A41-E43 PolarHBondContact O-N 3Å |
| 42 | P | 56 | Low | 63.5 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | | | trans | -63.2 | 112.3 | 173.1 | 25.7 | -30.4 | 0 | 0 | 0 | 107 | L40 G44 | L40-P42 VanDerWaalsContact O-CD 3.24Å; L40-P42 WeakPolarHBondContact O-CD 3.02Å; P42-G44 PolarHBondContact O-N 2.89Å |
| 43 | E | 53.7 | Low | 61.9 | Low | 192 Ų | 192 | 120.2 Ų | 120.2 | 90% | 0.897 | 68% | 0.679 | S | S | * | * | | | trans | -54.5 | 117.5 | 168.6 | -61.6 | -176.4 | 99.4 | 0 | 0 | 106.6 | A41 D45 | A41-E43 PolarHBondContact O-N 3Å; E43-D45 PolarHBondContact O-N 2.87Å |
| 44 | G | 55 | Low | 60.2 | Low | 74 Ų | 74 | 119 Ų | 119 | 76% | 0.763 | 68% | 0.677 | S | S | * | * | | | trans | -60.8 | 121 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P42 | P42-G44 PolarHBondContact O-N 2.89Š|
| 45 | D | 51.6 | Low | 58.6 | Low | 151 Ų | 151 | 123.1 Ų | 123.1 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | | | trans | 63.3 | 93.3 | 149.3 | -141.2 | -115.7 | 0 | 0 | 0 | 117.1 | E43 | E43-D45 PolarHBondContact O-N 2.87Š|
| 46 | D | 49.3 | Very low | 57.3 | Low | 135 Ų | 135 | 123.7 Ų | 123.7 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | S | Bend | | -172.1 | 129.9 | 114.9 | -122.7 | -75.4 | 0 | 0 | 0 | 109.5 | | |
| 47 | R | 43 | Very low | 55.5 | Low | 225 Ų | 225 | 121.8 Ų | 121.8 | 85% | 0.849 | 71% | 0.713 | S | S | * | * | | | trans | 79.7 | 86.9 | 175.5 | -51.1 | 175.9 | 178.6 | -125.6 | -5 | 114.7 | D49 | R47-D49 PolarHBondContact O-N 3.2Š|
| 48 | G | 50.7 | Low | 54.3 | Low | 77 Ų | 77 | 121.5 Ų | 121.5 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | | | trans | -53.4 | 109 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 49 | D | 55.8 | Low | 53.1 | Low | 141 Ų | 141 | 127.6 Ų | 127.6 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | trans | -167.3 | 110.6 | 154.1 | -106.5 | -52.4 | 0 | 0 | 0 | 108.1 | R47 | R47-D49 PolarHBondContact O-N 3.2Š|
| 50 | L | 51.1 | Low | 52.5 | Low | 155 Ų | 155 | 126.3 Ų | 126.3 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 78 | 45 | 161.9 | -64 | 117.9 | 0 | 0 | 0 | 120.4 | | |
| 51 | I | 51.1 | Low | 52 | Low | 170 Ų | 170 | 123.2 Ų | 123.2 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | | | trans | -105.9 | 63.6 | 137.3 | 0.6 | 167 | 0 | 0 | 0 | 108.3 | P53 | I51-P53 WeakPolarHBondContact O-CD 3.27Š|
| 52 | S | 50.4 | Low | 52 | Low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 121.5 | 157.9 | -175.6 | 0 | 0 | 0 | 0 | 105.8 | D54 | S52-D54 PolarHBondContact O-N 3.06Å; S52-D54 VanDerWaalsContact O-N 3.15Å |
| 53 | P | 49.6 | Very low | 51.9 | Low | 108 Ų | 108 | 128.9 Ų | 128.9 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 128.8 | 162 | 23.4 | -29.6 | 0 | 0 | 0 | 106.1 | I51 P55 | I51-P53 WeakPolarHBondContact O-CD 3.27Å; P53-P55 VanDerWaalsContact O-N 3.13Å |
| 54 | D | 50.1 | Low | 52.1 | Low | 125 Ų | 125 | 128.7 Ų | 128.7 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 124.6 | 170.7 | -151.3 | -65.1 | 0 | 0 | 0 | 106.7 | S52 C56 G57 | S52-D54 PolarHBondContact O-N 3.06Å; S52-D54 VanDerWaalsContact O-N 3.15Å; D54-C56 PolarHBondContact O-N 3.13Å; D54-G57 PolarHBondContact O-N 2.81Å; D54-G57 VanDerWaalsContact O-N 3.14Å |
| 55 | P | 49.4 | Very low | 51.8 | Low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -4.8 | -173.3 | 23.5 | -32.8 | 0 | 0 | 0 | 112.9 | P53 | P53-P55 VanDerWaalsContact O-N 3.13Š|
| 56 | C | 51.9 | Low | 51.8 | Low | 96 Ų | 96 | 127.1 Ų | 127.1 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -1.2 | 178.5 | -120.7 | 0 | 0 | 0 | 0 | 115.4 | D54 T58 | D54-C56 PolarHBondContact O-N 3.13Å; C56-T58 PolarHBondContact O-N 2.96Å; C56-T58 PolarHBondContact O-OG1 3.17Å |
| 57 | G | 46.8 | Very low | 51.9 | Low | 67 Ų | 67 | 126.3 Ų | 126.3 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | | | trans | 51.5 | 25.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | D54 W59 | D54-G57 PolarHBondContact O-N 2.81Å; D54-G57 VanDerWaalsContact O-N 3.14Å; G57-W59 PolarHBondContact O-N 3.06Å |
| 58 | T | 53.8 | Low | 52.5 | Low | 96 Ų | 96 | 122.6 Ų | 122.6 | 59% | 0.589 | 70% | 0.696 | S | S | * | * | | | trans | -85.8 | 90.4 | -174.6 | -48.8 | 0 | 0 | 0 | 0 | 106.6 | C56 S60 | C56-T58 PolarHBondContact O-N 2.96Å; C56-T58 PolarHBondContact O-OG1 3.17Å; T58-S60 PolarHBondContact O-N 2.99Å |
| 59 | W | 51.1 | Low | 52.4 | Low | 185 Ų | 185 | 124.4 Ų | 124.4 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | | | trans | -43.5 | 112.7 | 157.3 | 60.1 | -59.8 | 0 | 0 | 0 | 107.3 | G57 L61 | G57-W59 PolarHBondContact O-N 3.06Å; W59-L61 VanDerWaalsContact C-N 3.32Å; W59-L61 HydrophobicContact CD2-CD2 4.16Å; W59-L61 HydrophobicContact CE3-CD2 3.88Å; W59-L61 HydrophobicContact CH2-CD2 3.31Å; W59-L61 HydrophobicContact CZ2-CD2 3.6Å; W59-L61 HydrophobicContact CZ2-CG 4.47Å; W59-L61 HydrophobicContact CZ3-CD2 3.46Å; W59-L61 VanDerWaalsContact CZ3-CD2 3.46Å; W59-L61 PolarHBondContact O-N 2.91Å |
| 60 | S | 58.6 | Low | 52.5 | Low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 71% | 0.705 | S | S | * | * | | | trans | -63.7 | 98.9 | -179.7 | -79.6 | 0 | 0 | 0 | 0 | 107.9 | T58 R62 | T58-S60 PolarHBondContact O-N 2.99Å; S60-R62 PolarHBondContact O-N 3.08Å |
| 61 | L | 52.3 | Low | 52.9 | Low | 84 Ų | 84 | 125.6 Ų | 125.6 | 44% | 0.44 | 70% | 0.697 | S | S | . | * | | | trans | -51.3 | 124.3 | 167.1 | -69 | 167.2 | 0 | 0 | 0 | 107.1 | W59 E65 | W59-L61 VanDerWaalsContact C-N 3.32Å; W59-L61 HydrophobicContact CD2-CD2 4.16Å; W59-L61 HydrophobicContact CE3-CD2 3.88Å; W59-L61 HydrophobicContact CH2-CD2 3.31Å; W59-L61 HydrophobicContact CZ2-CD2 3.6Å; W59-L61 HydrophobicContact CZ2-CG 4.47Å; W59-L61 HydrophobicContact CZ3-CD2 3.46Å; W59-L61 VanDerWaalsContact CZ3-CD2 3.46Å; W59-L61 PolarHBondContact O-N 2.91Å; L61-E65 HydrophobicContact CB-CB 4.31Å; L61-E65 WeakPolarHBondContact CD2-OE1 3.24Å; L61-E65 VanDerWaalsContact CD2-OE2 3.24Å; L61-E65 WeakPolarHBondContact CD2-OE2 3.36Å |
| 62 | R | 61.6 | Low | 53.1 | Low | 175 Ų | 175 | 127.6 Ų | 127.6 | 66% | 0.66 | 69% | 0.693 | S | S | * | * | | | trans | -62.1 | 157.5 | -173.6 | -70.8 | -160.5 | 150.6 | -122 | -7.1 | 110.3 | S60 W64 E65 | S60-R62 PolarHBondContact O-N 3.08Å; R62-W64 HydrophobicContact CB-CG 4.47Å; R62-W64 PolarHBondContact O-N 2.82Å; R62-E65 PolarHBondContact O-N 3.07Å |
| 63 | P | 54.1 | Low | 53.3 | Low | 116 Ų | 116 | 129.1 Ų | 129.1 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -52.8 | -26.1 | -178.5 | -27.6 | 34.3 | 0 | 0 | 0 | 114.6 | T66 | P63-T66 PolarHBondContact O-N 3.04Š|
| 64 | W | 56.3 | Low | 53.8 | Low | 187 Ų | 187 | 131.4 Ų | 131.4 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -76 | -15 | 179.1 | 74.7 | -88.1 | 0 | 0 | 0 | 114.4 | R62 T67 | R62-W64 HydrophobicContact CB-CG 4.47Å; R62-W64 PolarHBondContact O-N 2.82Å; W64-T67 PolarHBondContact O-OG1 3.04Å |
| 65 | E | 49.8 | Very low | 54 | Low | 80 Ų | 80 | 129.4 Ų | 129.4 | 37% | 0.374 | 70% | 0.696 | S | S | . | * | G | 310 helix | trans | -84.6 | -11.8 | 172.6 | -70.7 | -176.6 | 92.4 | 0 | 0 | 112.8 | L61 R62 T67 | L61-E65 HydrophobicContact CB-CB 4.31Å; L61-E65 WeakPolarHBondContact CD2-OE1 3.24Å; L61-E65 VanDerWaalsContact CD2-OE2 3.24Å; L61-E65 WeakPolarHBondContact CD2-OE2 3.36Å; R62-E65 PolarHBondContact O-N 3.07Å; E65-T67 PolarHBondContact O-N 3.18Å |
| 66 | T | 50.5 | Low | 54.5 | Low | 113 Ų | 113 | 134.9 Ų | 134.9 | 69% | 0.693 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -84.3 | 13.8 | 179.2 | -67.4 | 0 | 0 | 0 | 0 | 113.2 | P63 | P63-T66 PolarHBondContact O-N 3.04Š|
| 67 | T | 52.5 | Low | 55.3 | Low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -110.7 | 23.1 | 172.7 | 34.6 | 0 | 0 | 0 | 0 | 113.8 | W64 E65 | W64-T67 PolarHBondContact O-OG1 3.04Å; E65-T67 PolarHBondContact O-N 3.18Å |
| 68 | L | 54.6 | Low | 55.8 | Low | 146 Ų | 146 | 140 Ų | 140 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -84.8 | 119.3 | 157.3 | -71.1 | 177.4 | 0 | 0 | 0 | 109 | R70 | L68-R70 PolarHBondContact O-N 3.15Š|
| 69 | P | 49.6 | Very low | 55.9 | Low | 115 Ų | 115 | 142.2 Ų | 142.2 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | | | trans | -61.3 | 116.6 | 173.7 | 24.8 | -30.7 | 0 | 0 | 0 | 107.8 | G71 | P69-G71 PolarHBondContact O-N 3.14Š|
| 70 | R | 57.5 | Low | 56.1 | Low | 260 Ų | 260 | 139.9 Ų | 139.9 | 98% | 0.981 | 74% | 0.74 | S | S | * | * | | | trans | -60.5 | 88.2 | 163 | -74.1 | -132.3 | -83.8 | -175.4 | -9 | 107.6 | L68 | L68-R70 PolarHBondContact O-N 3.15Š|
| 71 | G | 58.4 | Low | 56 | Low | 62 Ų | 62 | 141.5 Ų | 141.5 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | | | trans | -155.4 | 58 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P69 | P69-G71 PolarHBondContact O-N 3.14Š|
| 72 | R | 56.3 | Low | 56.2 | Low | 211 Ų | 211 | 144.9 Ų | 144.9 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | | | trans | -144.3 | 92.2 | 157 | -160.1 | -178.5 | -162.4 | -133.3 | 3.6 | 110.2 | | |
| 73 | P | 55.1 | Low | 55.9 | Low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | | | trans | -64.4 | 134.1 | 156.1 | 26 | -28.2 | 0 | 0 | 0 | 108.9 | | |
| 74 | E | 59 | Low | 56 | Low | 156 Ų | 156 | 144.8 Ų | 144.8 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | | | trans | -56.5 | 138.5 | -176.9 | -135.9 | -105.1 | 118.2 | 0 | 0 | 111.8 | R76 | E74-R76 PolarHBondContact O-N 2.84Š|
| 75 | P | 54.9 | Low | 55.9 | Low | 83 Ų | 83 | 141.8 Ų | 141.8 | 54% | 0.539 | 77% | 0.766 | S | S | . | * | | | trans | -72.4 | 101 | 174.4 | 29.8 | -31.4 | 0 | 0 | 0 | 109.6 | G77 | P75-G77 PolarHBondContact O-N 3Å; P75-G77 VanDerWaalsContact O-N 3.17Å |
| 76 | R | 59.8 | Low | 56.4 | Low | 246 Ų | 246 | 146.5 Ų | 146.5 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | | | trans | -62.9 | 115.4 | 162.1 | -72.7 | -175 | -110.3 | -103.5 | 1.7 | 108.2 | E74 | E74-R76 PolarHBondContact O-N 2.84Š|
| 77 | G | 68.5 | Low | 56.9 | Low | 63 Ų | 63 | 149.3 Ų | 149.3 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | trans | -132.7 | -175.5 | 160 | 0 | 0 | 0 | 0 | 0 | 109.6 | P75 | P75-G77 PolarHBondContact O-N 3Å; P75-G77 VanDerWaalsContact O-N 3.17Å |
| 78 | P | 56.7 | Low | 57.3 | Low | 208 Ų | 208 | 152.2 Ų | 152.2 | 100% | 1.351 | 81% | 0.812 | S | S | * | * | | | cis | -73.2 | 0 | -45.8 | 33.9 | -31 | 0 | 0 | 0 | 112.8 | | |