| 1 | M | 41 | Very low | 57.6 | Low | 243 Ų | 243 | 147.6 Ų | 147.6 | 100% | 1.197 | 79% | 0.791 | S | S | * | * | | | | 0 | 87.7 | 0 | 17.7 | 178.5 | 81 | 0 | 0 | 105.8 | | |
| 2 | E | 44.8 | Very low | 60.3 | Low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -78.8 | 117.3 | -176.1 | -165.9 | 169.6 | 119.7 | 0 | 0 | 107.5 | V4 | E2-V4 PolarHBondContact O-N 3.21Š|
| 3 | S | 53.2 | Low | 62.8 | Low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -69.4 | 99.8 | 179.9 | 48.3 | 0 | 0 | 0 | 0 | 108.8 | P5 | S3-P5 WeakPolarHBondContact O-CD 2.92Š|
| 4 | V | 52.4 | Low | 65.1 | Low | 122 Ų | 122 | 148.3 Ų | 148.3 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | | | trans | -53.1 | 119.6 | 171.5 | 174.1 | 0 | 0 | 0 | 0 | 107.7 | E2 G6 | E2-V4 PolarHBondContact O-N 3.21Å; V4-G6 PolarHBondContact O-N 3.38Å |
| 5 | P | 57 | Low | 67.1 | Low | 122 Ų | 122 | 141.2 Ų | 141.2 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | trans | -64.4 | 108.6 | 174.6 | 24.2 | -28.6 | 0 | 0 | 0 | 106.9 | S3 D7 | S3-P5 WeakPolarHBondContact O-CD 2.92Å; P5-D7 PolarHBondContact O-N 3.09Å |
| 6 | G | 52.9 | Low | 68.9 | Low | 63 Ų | 63 | 141.4 Ų | 141.4 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | | | trans | -49.1 | 129.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111 | V4 H8 | V4-G6 PolarHBondContact O-N 3.38Å; G6-H8 PolarHBondContact O-N 2.75Å |
| 7 | D | 50.3 | Low | 70.5 | Confident | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | trans | -45.6 | 108 | 168.9 | -82.8 | -61.9 | 0 | 0 | 0 | 108.5 | P5 S9 | P5-D7 PolarHBondContact O-N 3.09Å; D7-S9 PolarHBondContact O-N 3.28Å |
| 8 | H | 61 | Low | 72 | Confident | 146 Ų | 146 | 140.9 Ų | 140.9 | 68% | 0.676 | 75% | 0.747 | S | S | * | * | | | trans | -67.5 | 89.1 | 173.7 | 51.3 | -82 | 0 | 0 | 0 | 106 | G6 K10 | G6-H8 PolarHBondContact O-N 2.75Å; H8-K10 PolarHBondContact O-N 3.05Å |
| 9 | S | 59.7 | Low | 73.3 | Confident | 82 Ų | 82 | 142.7 Ų | 142.7 | 57% | 0.573 | 75% | 0.748 | S | S | * | * | | | trans | -45.7 | 110.2 | 172.6 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | D7 R11 | D7-S9 PolarHBondContact O-N 3.28Å; S9-R11 PolarHBondContact O-N 3.41Å |
| 10 | K | 75.8 | Confident | 74.5 | Confident | 181 Ų | 181 | 141.1 Ų | 141.1 | 79% | 0.787 | 74% | 0.736 | S | S | * | * | | | trans | -70.1 | 71.4 | -178.7 | -62.6 | -165.3 | -177.2 | -170.6 | 0 | 108.7 | H8 V12 | H8-K10 PolarHBondContact O-N 3.05Å; K10-V12 PolarHBondContact O-N 2.99Å; K10-V12 VanDerWaalsContact O-N 3.17Å |
| 11 | R | 85.5 | Confident | 75.6 | Confident | 207 Ų | 207 | 136.6 Ų | 136.6 | 78% | 0.781 | 71% | 0.714 | S | S | * | * | | | trans | -67.5 | 115.8 | 171.3 | -71.8 | -165.7 | -66.8 | -86.9 | 3.2 | 107 | S9 Y13 | S9-R11 PolarHBondContact O-N 3.41Å; R11-Y13 PolarHBondContact O-N 3.36Å |
| 12 | V | 89.9 | Confident | 78.3 | Confident | 119 Ų | 119 | 130.7 Ų | 130.7 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | | | trans | -56.4 | 124 | 168.3 | 176.7 | 0 | 0 | 0 | 0 | 106.9 | K10 Q14 | K10-V12 PolarHBondContact O-N 2.99Å; K10-V12 VanDerWaalsContact O-N 3.17Å; V12-Q14 PolarHBondContact O-N 3.07Å |
| 13 | Y | 93.1 | Very high | 80.9 | Confident | 148 Ų | 148 | 129.4 Ų | 129.4 | 58% | 0.58 | 68% | 0.683 | S | S | * | * | | | trans | -67 | 108.7 | 176.8 | 180 | -97.4 | 0 | 0 | 0 | 109.1 | R11 G15 | R11-Y13 PolarHBondContact O-N 3.36Å; Y13-G15 VanDerWaalsContact CE1-CA 3.48Å; Y13-G15 WeakPolarHBondContact CE1-O 3.04Å; Y13-G15 PolarHBondContact O-N 3.28Å |
| 14 | Q | 94.1 | Very high | 82.9 | Confident | 185 Ų | 185 | 127.5 Ų | 127.5 | 86% | 0.864 | 66% | 0.664 | S | S | * | * | | | trans | -89.4 | 93.3 | 173.4 | -62.1 | -177.2 | 13.3 | 0 | 0 | 107.8 | V12 | V12-Q14 PolarHBondContact O-N 3.07Š|
| 15 | G | 95.9 | Very high | 85.1 | Confident | 42 Ų | 42 | 125.9 Ų | 125.9 | 43% | 0.433 | 65% | 0.651 | S | S | . | * | S | Bend | trans | 176.6 | 158.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y13 | Y13-G15 VanDerWaalsContact CE1-CA 3.48Å; Y13-G15 WeakPolarHBondContact CE1-O 3.04Å; Y13-G15 PolarHBondContact O-N 3.28Å |
| 16 | V | 96.3 | Very high | 87 | Confident | 145 Ų | 145 | 123 Ų | 123 | 88% | 0.879 | 63% | 0.629 | S | S | * | * | | | trans | -72.8 | 132.9 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 17 | R | 95.8 | Very high | 89 | Confident | 170 Ų | 170 | 122.6 Ų | 122.6 | 64% | 0.642 | 62% | 0.619 | S | S | * | * | | | trans | -123.1 | 144 | 175.5 | 66.7 | -172.4 | 75.8 | 167.6 | 6.8 | 110 | | |
| 18 | V | 97.3 | Very high | 91 | Very high | 104 Ų | 104 | 118.9 Ų | 118.9 | 63% | 0.63 | 60% | 0.597 | S | S | * | * | | | trans | -72.4 | 131.1 | 171.2 | -179 | 0 | 0 | 0 | 0 | 108 | T21 | V18-T21 HydrophobicContact CB-CG2 3.83Å; V18-T21 HydrophobicContact CG1-CG2 3.95Å |
| 19 | K | 97.3 | Very high | 92.7 | Very high | 174 Ų | 174 | 118.2 Ų | 118.2 | 76% | 0.757 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -67.8 | -42.5 | -176.3 | -171.8 | 173.1 | 68.1 | 168.3 | 0 | 112.7 | | |
| 20 | H | 97.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 121.1 Ų | 121.1 | 51% | 0.514 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -134.9 | 103.9 | 177 | -55.2 | 117.2 | 0 | 0 | 0 | 108.4 | L25 | H20-L25 HydrophobicContact CB-CD2 4.25Å; H20-L25 HydrophobicContact CB-CG 4.36Å |
| 21 | T | 97.2 | Very high | 95 | Very high | 46 Ų | 46 | 115.6 Ų | 115.6 | 28% | 0.282 | 58% | 0.575 | S | S | . | * | | | trans | -80.9 | 158.5 | 170.7 | 66.2 | 0 | 0 | 0 | 0 | 109.9 | V18 K23 D24 L25 | V18-T21 HydrophobicContact CB-CG2 3.83Å; V18-T21 HydrophobicContact CG1-CG2 3.95Å; T21-K23 PolarHBondContact O-N 3.38Å; T21-K23 VanDerWaalsContact O-N 3.17Å; T21-K23 PolarHBondContact OG1-N 2.79Å; T21-D24 WeakPolarHBondContact CB-OD2 3.44Å; T21-D24 PolarHBondContact N-OD2 2.97Å; T21-D24 PolarHBondContact O-N 3.02Å; T21-D24 PolarHBondContact OG1-N 3.48Å; T21-D24 VanDerWaalsContact OG1-N 3.09Å; T21-D24 PolarHBondContact OG1-OD1 2.93Å; T21-D24 PolarHBondContact OG1-OD2 3.02Å; T21-L25 WeakPolarHBondContact O-CG 3.3Å; T21-L25 PolarHBondContact O-N 2.84Å |
| 22 | V | 97.8 | Very high | 95.2 | Very high | 119 Ų | 119 | 111.7 Ų | 111.7 | 72% | 0.721 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -55.5 | -33.1 | 171.1 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | L25 L26 | V22-L25 PolarHBondContact O-N 3.02Å; V22-L26 VanDerWaalsContact O-CB 3.24Å; V22-L26 WeakPolarHBondContact O-CB 3.43Å; V22-L26 PolarHBondContact O-N 3.2Å |
| 23 | K | 98 | Very high | 94.7 | Very high | 165 Ų | 165 | 112.9 Ų | 112.9 | 72% | 0.717 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.3 | -47.9 | 173.3 | 177.7 | -172.6 | 168.8 | -171.8 | 0 | 111.6 | T21 L26 A27 | T21-K23 PolarHBondContact O-N 3.38Å; T21-K23 VanDerWaalsContact O-N 3.17Å; T21-K23 PolarHBondContact OG1-N 2.79Å; K23-L26 PolarHBondContact O-N 3.31Å; K23-A27 WeakPolarHBondContact O-CB 3.42Å; K23-A27 PolarHBondContact O-N 3.23Å |
| 24 | D | 96.6 | Very high | 93.6 | Very high | 72 Ų | 72 | 111.4 Ų | 111.4 | 39% | 0.385 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.2 | -44.5 | 178.6 | -54.3 | -38.7 | 0 | 0 | 0 | 110.8 | T21 L26 A27 E28 | T21-D24 WeakPolarHBondContact CB-OD2 3.44Å; T21-D24 PolarHBondContact N-OD2 2.97Å; T21-D24 PolarHBondContact O-N 3.02Å; T21-D24 PolarHBondContact OG1-N 3.48Å; T21-D24 VanDerWaalsContact OG1-N 3.09Å; T21-D24 PolarHBondContact OG1-OD1 2.93Å; T21-D24 PolarHBondContact OG1-OD2 3.02Å; D24-L26 VanDerWaalsContact C-N 3.35Å; D24-L26 PolarHBondContact O-N 3.23Å; D24-A27 PolarHBondContact O-N 3.13Å; D24-E28 VanDerWaalsContact O-CB 3.3Å; D24-E28 WeakPolarHBondContact O-CB 3.39Å; D24-E28 PolarHBondContact O-N 3.21Å |
| 25 | L | 97.3 | Very high | 92 | Very high | 87 Ų | 87 | 105.5 Ų | 105.5 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.8 | -66.1 | 175.2 | 0 | 0 | 0 | 112.2 | H20 T21 V22 E28 K29 | H20-L25 HydrophobicContact CB-CD2 4.25Å; H20-L25 HydrophobicContact CB-CG 4.36Å; T21-L25 WeakPolarHBondContact O-CG 3.3Å; T21-L25 PolarHBondContact O-N 2.84Å; V22-L25 PolarHBondContact O-N 3.02Å; L25-E28 PolarHBondContact O-N 3.16Å; L25-K29 VanDerWaalsContact O-CB 3.25Å; L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 PolarHBondContact O-N 3.11Å |
| 26 | L | 96.8 | Very high | 90.2 | Very high | 62 Ų | 62 | 109.2 Ų | 109.2 | 33% | 0.325 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.2 | -36.3 | 179.4 | -162.6 | 71.2 | 0 | 0 | 0 | 111.5 | V22 K23 D24 R30 | V22-L26 VanDerWaalsContact O-CB 3.24Å; V22-L26 WeakPolarHBondContact O-CB 3.43Å; V22-L26 PolarHBondContact O-N 3.2Å; K23-L26 PolarHBondContact O-N 3.31Å; D24-L26 VanDerWaalsContact C-N 3.35Å; D24-L26 PolarHBondContact O-N 3.23Å; L26-R30 VanDerWaalsContact CD2-NH1 3.28Å; L26-R30 VanDerWaalsContact CG-NH1 3.32Å; L26-R30 WeakPolarHBondContact O-CG 3.37Å; L26-R30 PolarHBondContact O-N 2.82Å; L26-R30 VanDerWaalsContact O-N 3.09Å |
| 27 | A | 95.3 | Very high | 88.2 | Confident | 55 Ų | 55 | 107.5 Ų | 107.5 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | K23 D24 K29 R30 S31 | K23-A27 WeakPolarHBondContact O-CB 3.42Å; K23-A27 PolarHBondContact O-N 3.23Å; D24-A27 PolarHBondContact O-N 3.13Å; A27-K29 PolarHBondContact O-N 3.02Å; A27-R30 PolarHBondContact O-N 3.43Å; A27-S31 WeakPolarHBondContact O-CB 3.24Å; A27-S31 PolarHBondContact O-N 2.65Å |
| 28 | E | 93.9 | Very high | 86.4 | Confident | 77 Ų | 77 | 109.2 Ų | 109.2 | 36% | 0.36 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.8 | -44.9 | 175.6 | -176.2 | -178.7 | -171.4 | 0 | 0 | 111.3 | D24 L25 R30 S31 R32 | D24-E28 VanDerWaalsContact O-CB 3.3Å; D24-E28 WeakPolarHBondContact O-CB 3.39Å; D24-E28 PolarHBondContact O-N 3.21Å; L25-E28 PolarHBondContact O-N 3.16Å; E28-R30 PolarHBondContact O-N 3.39Å; E28-S31 CarbonylContact O-C 3.59Å; E28-S31 WeakPolarHBondContact O-CB 3.35Å; E28-S31 PolarHBondContact O-N 3.49Å; E28-R32 HydrophobicContact CG-CG 4.26Å; E28-R32 WeakPolarHBondContact O-CB 3.36Å; E28-R32 VanDerWaalsContact O-CG 3.29Å; E28-R32 WeakPolarHBondContact O-CG 3.47Å; E28-R32 PolarHBondContact O-N 2.95Å; E28-R32 IonicContact OE1-CZ 3.03Å; E28-R32 IonicContact OE1-NE 3.76Å; E28-R32 PolarHBondContact OE1-NE 2.84Å; E28-R32 IonicContact OE1-NH2 2.69Å; E28-R32 PolarHBondContact OE1-NH2 3.15Å |
| 29 | K | 95.4 | Very high | 84.3 | Confident | 131 Ų | 131 | 112.5 Ų | 112.5 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.2 | -45.7 | 177.2 | -171 | -175.5 | 75.7 | 175.7 | 0 | 111.8 | L25 A27 R32 Q33 | L25-K29 VanDerWaalsContact O-CB 3.25Å; L25-K29 WeakPolarHBondContact O-CB 3.45Å; L25-K29 PolarHBondContact O-N 3.11Å; A27-K29 PolarHBondContact O-N 3.02Å; K29-R32 PolarHBondContact O-N 2.99Å; K29-Q33 WeakPolarHBondContact O-CB 3.25Å; K29-Q33 PolarHBondContact O-N 3.03Å |
| 30 | R | 94.6 | Very high | 82 | Confident | 144 Ų | 144 | 111.9 Ų | 111.9 | 54% | 0.543 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.5 | -41.3 | 175.9 | -71.8 | -176.5 | -172.9 | 112.1 | -3.2 | 111.7 | L26 A27 E28 Q33 T34 | L26-R30 VanDerWaalsContact CD2-NH1 3.28Å; L26-R30 VanDerWaalsContact CG-NH1 3.32Å; L26-R30 WeakPolarHBondContact O-CG 3.37Å; L26-R30 PolarHBondContact O-N 2.82Å; L26-R30 VanDerWaalsContact O-N 3.09Å; A27-R30 PolarHBondContact O-N 3.43Å; E28-R30 PolarHBondContact O-N 3.39Å; R30-Q33 WeakPolarHBondContact O-CB 3.4Å; R30-Q33 PolarHBondContact O-N 2.69Å; R30-T34 PolarHBondContact O-N 2.83Å; R30-T34 VanDerWaalsContact O-N 3.13Å; R30-T34 PolarHBondContact O-OG1 3.1Å |
| 31 | S | 90.2 | Very high | 79.7 | Confident | 65 Ų | 65 | 110 Ų | 110 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.7 | -43.9 | 176.2 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | A27 E28 T34 S35 | A27-S31 WeakPolarHBondContact O-CB 3.24Å; A27-S31 PolarHBondContact O-N 2.65Å; E28-S31 CarbonylContact O-C 3.59Å; E28-S31 WeakPolarHBondContact O-CB 3.35Å; E28-S31 PolarHBondContact O-N 3.49Å; S31-T34 PolarHBondContact O-N 3.09Å; S31-T34 PolarHBondContact O-OG1 3.26Å; S31-S35 WeakPolarHBondContact O-CB 3.29Å; S31-S35 PolarHBondContact O-N 2.89Å; S31-S35 PolarHBondContact O-OG 3.13Å |
| 32 | R | 88.3 | Confident | 76.8 | Confident | 124 Ų | 124 | 113.3 Ų | 113.3 | 47% | 0.468 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.6 | -48.7 | 174.7 | -73.4 | 177.8 | -179.7 | -77.3 | -0.4 | 109.2 | E28 K29 T34 S35 N36 | E28-R32 HydrophobicContact CG-CG 4.26Å; E28-R32 WeakPolarHBondContact O-CB 3.36Å; E28-R32 VanDerWaalsContact O-CG 3.29Å; E28-R32 WeakPolarHBondContact O-CG 3.47Å; E28-R32 PolarHBondContact O-N 2.95Å; E28-R32 IonicContact OE1-CZ 3.03Å; E28-R32 IonicContact OE1-NE 3.76Å; E28-R32 PolarHBondContact OE1-NE 2.84Å; E28-R32 IonicContact OE1-NH2 2.69Å; E28-R32 PolarHBondContact OE1-NH2 3.15Å; K29-R32 PolarHBondContact O-N 2.99Å; R32-T34 PolarHBondContact O-N 3.15Å; R32-S35 CarbonylContact O-C 3.48Å; R32-S35 PolarHBondContact O-N 3.17Å; R32-N36 VanDerWaalsContact C-OD1 3.28Å; R32-N36 VanDerWaalsContact O-CB 3.28Å; R32-N36 WeakPolarHBondContact O-CB 3.28Å; R32-N36 PolarHBondContact O-N 3.11Å; R32-N36 PolarHBondContact O-ND2 3.32Å; R32-N36 VanDerWaalsContact O-ND2 3.13Å; R32-N36 PolarHBondContact O-OD1 2.94Å |
| 33 | Q | 80.4 | Confident | 74.4 | Confident | 145 Ų | 145 | 113.9 Ų | 113.9 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -52.6 | -36.2 | 177.6 | -169.8 | 173.6 | 16.2 | 0 | 0 | 113.9 | K29 R30 | K29-Q33 WeakPolarHBondContact O-CB 3.25Å; K29-Q33 PolarHBondContact O-N 3.03Å; R30-Q33 WeakPolarHBondContact O-CB 3.4Å; R30-Q33 PolarHBondContact O-N 2.69Å |
| 34 | T | 68.8 | Low | 71.8 | Confident | 116 Ų | 116 | 111.2 Ų | 111.2 | 71% | 0.712 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -88 | -22.2 | 175.6 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | R30 S31 R32 | R30-T34 PolarHBondContact O-N 2.83Å; R30-T34 VanDerWaalsContact O-N 3.13Å; R30-T34 PolarHBondContact O-OG1 3.1Å; S31-T34 PolarHBondContact O-N 3.09Å; S31-T34 PolarHBondContact O-OG1 3.26Å; R32-T34 PolarHBondContact O-N 3.15Å |
| 35 | S | 61.8 | Low | 69.1 | Low | 61 Ų | 61 | 113.5 Ų | 113.5 | 43% | 0.427 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -99.2 | -10 | -177.2 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | S31 R32 S37 R38 | S31-S35 WeakPolarHBondContact O-CB 3.29Å; S31-S35 PolarHBondContact O-N 2.89Å; S31-S35 PolarHBondContact O-OG 3.13Å; R32-S35 CarbonylContact O-C 3.48Å; R32-S35 PolarHBondContact O-N 3.17Å; S35-S37 PolarHBondContact O-N 3.21Å; S35-R38 PolarHBondContact O-N 3.17Å |
| 36 | N | 58.2 | Low | 67 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 65% | 0.647 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -8.3 | -176.6 | -73.1 | -18.1 | 0 | 0 | 0 | 113.6 | R32 | R32-N36 VanDerWaalsContact C-OD1 3.28Å; R32-N36 VanDerWaalsContact O-CB 3.28Å; R32-N36 WeakPolarHBondContact O-CB 3.28Å; R32-N36 PolarHBondContact O-N 3.11Å; R32-N36 PolarHBondContact O-ND2 3.32Å; R32-N36 VanDerWaalsContact O-ND2 3.13Å; R32-N36 PolarHBondContact O-OD1 2.94Å |
| 37 | S | 53.6 | Low | 64.4 | Low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -13.2 | 171.7 | -180 | 0 | 0 | 0 | 0 | 113.5 | S35 | S35-S37 PolarHBondContact O-N 3.21Š|
| 38 | R | 58.8 | Low | 61.9 | Low | 205 Ų | 205 | 122.8 Ų | 122.8 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -136.4 | 107.5 | -178.4 | -69.4 | -174.6 | -161.8 | -139.1 | 1.9 | 110.1 | S35 | S35-R38 PolarHBondContact O-N 3.17Š|
| 39 | L | 53 | Low | 59.5 | Low | 173 Ų | 173 | 125 Ų | 125 | 91% | 0.906 | 71% | 0.709 | S | S | * | * | | | trans | 77.9 | 88.1 | 153.7 | -40.3 | 160.2 | 0 | 0 | 0 | 115 | | |
| 40 | N | 48.1 | Very low | 57 | Low | 161 Ų | 161 | 128.1 Ų | 128.1 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | | | trans | -95.2 | 112.5 | 157 | -162.9 | 32.5 | 0 | 0 | 0 | 108.8 | | |
| 41 | G | 50.4 | Low | 54.6 | Low | 72 Ų | 72 | 127.1 Ų | 127.1 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | | | trans | 74.3 | 94.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 42 | S | 35.7 | Very low | 52.6 | Low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -153.3 | 125.6 | 140.1 | -159 | 0 | 0 | 0 | 0 | 111.3 | | |
| 43 | V | 46.6 | Very low | 50.4 | Low | 131 Ų | 131 | 134.4 Ų | 134.4 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | trans | -62.1 | 146.6 | 154.8 | -71.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 44 | S | 43.8 | Very low | 49.1 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 62.7 | 130.4 | 166.2 | -72.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 45 | S | 40.1 | Very low | 47.6 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | 73.3 | 129.4 | 155.9 | 74.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 46 | S | 53.3 | Low | 46.6 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | -42.6 | 131.7 | 166.7 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 47 | Q | 41.6 | Very low | 46.5 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -167.5 | 132.9 | 133.4 | -105.2 | 171.8 | 35.2 | 0 | 0 | 111.1 | | |
| 48 | S | 43 | Very low | 45.9 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | | | trans | -82.9 | 133.8 | 178.7 | 128.4 | 0 | 0 | 0 | 0 | 109.9 | F50 | S48-F50 PolarHBondContact O-N 3.44Š|
| 49 | P | 43.9 | Very low | 45.4 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | trans | -95.1 | 66.5 | 174.9 | 37.7 | -30.5 | 0 | 0 | 0 | 110.1 | | |
| 50 | F | 43.5 | Very low | 45 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -98.6 | 81.1 | 156.9 | -75.2 | -71.1 | 0 | 0 | 0 | 107.5 | S48 Q52 | S48-F50 PolarHBondContact O-N 3.44Å; F50-Q52 PolarHBondContact O-N 3.36Å |
| 51 | V | 42.5 | Very low | 44.8 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -81.3 | 105.2 | 161.3 | 177.9 | 0 | 0 | 0 | 0 | 106.7 | M53 | V51-M53 PolarHBondContact O-N 2.88Š|
| 52 | Q | 48.3 | Very low | 44.9 | Very low | 180 Ų | 180 | 131 Ų | 131 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | trans | -57.3 | 112.3 | 170.3 | -173.9 | 174.1 | 13.3 | 0 | 0 | 109.4 | F50 P54 | F50-Q52 PolarHBondContact O-N 3.36Å; Q52-P54 WeakPolarHBondContact O-CD 3.32Å |
| 53 | M | 42.3 | Very low | 45.7 | Very low | 161 Ų | 161 | 136 Ų | 136 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | | | trans | -92.5 | 114.2 | 168 | -72.2 | -61.5 | -65.3 | 0 | 0 | 109 | V51 G55 | V51-M53 PolarHBondContact O-N 2.88Å; M53-G55 PolarHBondContact O-N 3.48Å |
| 54 | P | 52.6 | Low | 45.9 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -78.6 | 98.9 | 169 | 30.3 | -28 | 0 | 0 | 0 | 108.5 | Q52 | Q52-P54 WeakPolarHBondContact O-CD 3.32Š|
| 55 | G | 38.6 | Very low | 46.3 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | -140.6 | 117 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | M53 | M53-G55 PolarHBondContact O-N 3.48Š|
| 56 | S | 41.4 | Very low | 47.3 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -57.9 | 161.8 | -172.8 | -145.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 57 | P | 54.3 | Low | 47.5 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -87.5 | 139 | -167.3 | 35.2 | -27.9 | 0 | 0 | 0 | 111.9 | | |
| 58 | V | 42.2 | Very low | 47.7 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -123.9 | 107 | 170.5 | 165.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 59 | T | 48.8 | Very low | 48.1 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 78 | 122.9 | 148.4 | 65.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 60 | S | 43.9 | Very low | 48.3 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 92% | 0.923 | 79% | 0.788 | S | S | * | * | | | trans | 86.1 | 104.7 | 142.6 | -148.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 61 | G | 43.9 | Very low | 48.6 | Very low | 70 Ų | 70 | 138.6 Ų | 138.6 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -174.3 | 52.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y63 | G61-Y63 PolarHBondContact O-N 2.8Š|
| 62 | Y | 52.3 | Low | 48.5 | Very low | 210 Ų | 210 | 140.1 Ų | 140.1 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -62.6 | 124.8 | 174.2 | -125.2 | -105.4 | 0 | 0 | 0 | 108.5 | | |
| 63 | Y | 52.8 | Low | 48.5 | Very low | 219 Ų | 219 | 135.7 Ų | 135.7 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 75.2 | 81.8 | -175.5 | -57.6 | -78.7 | 0 | 0 | 0 | 117 | G61 | G61-Y63 PolarHBondContact O-N 2.8Š|
| 64 | G | 50.9 | Low | 48.5 | Very low | 61 Ų | 61 | 133.5 Ų | 133.5 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | | | trans | -155.2 | 58.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112 | R66 | G64-R66 PolarHBondContact O-N 2.81Š|
| 65 | V | 52.3 | Low | 48.2 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 92% | 0.915 | 77% | 0.771 | S | S | * | * | | | trans | -66.6 | 83.1 | 163.5 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 66 | R | 60.2 | Low | 48.6 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 68% | 0.683 | 77% | 0.77 | S | S | * | * | | | trans | -139.9 | 87.5 | 169 | -67.3 | -65.8 | -55.8 | -129.2 | -2.6 | 107.2 | G64 S68 | G64-R66 PolarHBondContact O-N 2.81Å; R66-S68 PolarHBondContact O-N 3.49Å |
| 67 | R | 57.8 | Low | 48.5 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 63% | 0.634 | 77% | 0.767 | S | S | * | * | | | trans | -8.1 | 118 | 157.5 | 70.9 | -160.4 | -172.7 | -91.5 | -2.4 | 114.5 | F69 | R67-F69 HydrophobicContact CB-CD2 3.56Å; R67-F69 HydrophobicContact CB-CE2 3.74Å; R67-F69 HydrophobicContact CG-CD2 3.83Å; R67-F69 HydrophobicContact CG-CE2 4.31Å; R67-F69 PolarHBondContact O-N 3.5Å |
| 68 | S | 46.4 | Very low | 48.3 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | | | trans | -92.6 | 87.2 | 155.8 | -65.4 | 0 | 0 | 0 | 0 | 107.2 | R66 | R66-S68 PolarHBondContact O-N 3.49Š|
| 69 | F | 52.2 | Low | 48.5 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | | | trans | -99.5 | 104.2 | 162.1 | -74.5 | -72.7 | 0 | 0 | 0 | 107.4 | R67 | R67-F69 HydrophobicContact CB-CD2 3.56Å; R67-F69 HydrophobicContact CB-CE2 3.74Å; R67-F69 HydrophobicContact CG-CD2 3.83Å; R67-F69 HydrophobicContact CG-CE2 4.31Å; R67-F69 PolarHBondContact O-N 3.5Å |
| 70 | L | 46.5 | Very low | 48.5 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | -159.7 | 102.1 | 145.9 | -72.2 | -175.1 | 0 | 0 | 0 | 103.8 | | |
| 71 | S | 50.2 | Low | 48.3 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | | 54 | 103 | 80.3 | -72.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 72 | D | 41.4 | Very low | 48.1 | Very low | 157 Ų | 157 | 150 Ų | 150 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | | | trans | -162 | 104 | 134.7 | -143.3 | -107.1 | 0 | 0 | 0 | 106.3 | | |
| 73 | S | 48.3 | Very low | 47.3 | Very low | 87 Ų | 87 | 146.5 Ų | 146.5 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | | | | 88 | 91.3 | 99.9 | -155.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 74 | D | 42.2 | Very low | 46.8 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | | | trans | -129.4 | 85.2 | 159 | -159.6 | 2.6 | 0 | 0 | 0 | 108.2 | H76 | D74-H76 VanDerWaalsContact C-N 3.25Å; D74-H76 PolarHBondContact O-N 2.74Å; D74-H76 VanDerWaalsContact O-N 3.11Å; D74-H76 IonicContact OD1-CE1 4Å; D74-H76 PolarHBondContact OD1-CE1 3.09Å; D74-H76 IonicContact OD1-CG 4Å; D74-H76 IonicContact OD1-ND1 2.83Å; D74-H76 PolarHBondContact OD1-ND1 3.47Å; D74-H76 IonicContact OD1-NE2 3.22Å; D74-H76 IonicContact OD2-CD2 3.73Å; D74-H76 IonicContact OD2-CE1 2.85Å; D74-H76 PolarHBondContact OD2-CE1 3.33Å; D74-H76 IonicContact OD2-CG 3.49Å; D74-H76 IonicContact OD2-ND1 3.19Å; D74-H76 PolarHBondContact OD2-ND1 2.9Å; D74-H76 IonicContact OD2-NE2 3.05Å; D74-H76 PolarHBondContact OD2-NE2 3.43Å |
| 75 | F | 46 | Very low | 46.4 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | trans | -76 | 86.1 | 162.1 | -86.5 | -84.9 | 0 | 0 | 0 | 107.9 | N77 | F75-N77 PolarHBondContact O-N 3.33Š|
| 76 | H | 47.1 | Very low | 45.6 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | | | trans | -68.2 | 82.9 | 157.7 | -70.2 | -30.8 | 0 | 0 | 0 | 109.5 | D74 S78 | D74-H76 VanDerWaalsContact C-N 3.25Å; D74-H76 PolarHBondContact O-N 2.74Å; D74-H76 VanDerWaalsContact O-N 3.11Å; D74-H76 IonicContact OD1-CE1 4Å; D74-H76 PolarHBondContact OD1-CE1 3.09Å; D74-H76 IonicContact OD1-CG 4Å; D74-H76 IonicContact OD1-ND1 2.83Å; D74-H76 PolarHBondContact OD1-ND1 3.47Å; D74-H76 IonicContact OD1-NE2 3.22Å; D74-H76 IonicContact OD2-CD2 3.73Å; D74-H76 IonicContact OD2-CE1 2.85Å; D74-H76 PolarHBondContact OD2-CE1 3.33Å; D74-H76 IonicContact OD2-CG 3.49Å; D74-H76 IonicContact OD2-ND1 3.19Å; D74-H76 PolarHBondContact OD2-ND1 2.9Å; D74-H76 IonicContact OD2-NE2 3.05Å; D74-H76 PolarHBondContact OD2-NE2 3.43Å; H76-S78 VanDerWaalsContact C-N 3.29Å; H76-S78 PolarHBondContact O-N 2.83Å |
| 77 | N | 39 | Very low | 44.4 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | | | trans | -88.4 | 75.9 | 158 | -164.5 | -31.9 | 0 | 0 | 0 | 108.8 | F75 | F75-N77 PolarHBondContact O-N 3.33Š|
| 78 | S | 49.2 | Very low | 43.6 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | -100.5 | 77.6 | 166 | 60 | 0 | 0 | 0 | 0 | 108.8 | H76 | H76-S78 VanDerWaalsContact C-N 3.29Å; H76-S78 PolarHBondContact O-N 2.83Å |
| 79 | K | 46.5 | Very low | 43 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | trans | -132.7 | 86.4 | 161 | -69.9 | -170.9 | -179.6 | -174.8 | 0 | 110 | F81 | K79-F81 PolarHBondContact O-N 3.13Š|
| 80 | Q | 48.8 | Very low | 42.7 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -4.2 | 111.9 | 135.9 | -178.5 | 177.6 | -11.7 | 0 | 0 | 113.9 | | |
| 81 | F | 40 | Very low | 42.4 | Very low | 194 Ų | 194 | 137 Ų | 137 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | trans | -120.6 | 128.9 | 153.4 | -80.1 | -75.5 | 0 | 0 | 0 | 110 | K79 | K79-F81 PolarHBondContact O-N 3.13Š|
| 82 | S | 39.3 | Very low | 41.9 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | -68.2 | 150.8 | -169.6 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 83 | N | 37.3 | Very low | 42.1 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -46.9 | 143.4 | 158.2 | -134.7 | -89.7 | 0 | 0 | 0 | 111 | | |
| 84 | D | 40.6 | Very low | 41.6 | Very low | 149 Ų | 149 | 145 Ų | 145 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -165.6 | 109.3 | 134.2 | -86.6 | -35.1 | 0 | 0 | 0 | 112.5 | | |
| 85 | V | 42.8 | Very low | 41.8 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 56% | 0.564 | 79% | 0.786 | S | S | * | * | | | trans | 51.1 | 136.6 | 130.4 | -144.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 86 | Y | 35.3 | Very low | 41.2 | Very low | 213 Ų | 213 | 142 Ų | 142 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | 85.2 | 124 | 165.1 | -66.3 | -79.2 | 0 | 0 | 0 | 115.5 | | |
| 87 | T | 36.8 | Very low | 40.8 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | cis | -155.2 | 146.6 | 30.1 | 35.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 88 | S | 39.1 | Very low | 40.6 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -55.9 | 138.4 | 162.6 | 173.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 89 | S | 35.5 | Very low | 40.2 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | | -176.4 | 120.8 | 128 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 90 | V | 45.4 | Very low | 39.6 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | | | trans | 45.6 | 114.2 | 139.5 | 152.5 | 0 | 0 | 0 | 0 | 120 | | |
| 91 | G | 40.4 | Very low | 39 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | 179.9 | 71.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 92 | K | 39.8 | Very low | 38.7 | Very low | 197 Ų | 197 | 135.3 Ų | 135.3 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | 10.9 | 115.8 | 162.7 | -71.1 | 159.3 | 174.5 | 171.8 | 0 | 118.8 | | |
| 93 | P | 44.3 | Very low | 38.5 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 130.4 | 156.1 | 31 | -27.5 | 0 | 0 | 0 | 111.3 | | |
| 94 | F | 39.1 | Very low | 38.4 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 145.7 | 166.1 | -82.5 | -95.3 | 0 | 0 | 0 | 110.2 | C96 | F94-C96 PolarHBondContact O-N 3.41Š|
| 95 | P | 46.5 | Very low | 38.3 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 116.7 | -170.1 | 27.3 | -31.5 | 0 | 0 | 0 | 111.6 | | |
| 96 | C | 32.4 | Very low | 37.9 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 145.4 | 163.5 | -164.2 | 0 | 0 | 0 | 0 | 109.7 | F94 | F94-C96 PolarHBondContact O-N 3.41Š|
| 97 | E | 39.9 | Very low | 38.6 | Very low | 188 Ų | 188 | 131.5 Ų | 131.5 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -40.9 | 132.8 | 180 | -79.9 | 167.1 | 93.4 | 0 | 0 | 114.2 | | |
| 98 | S | 33.5 | Very low | 39.1 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | | | trans | -77.8 | 128.8 | 171.9 | -69.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 99 | S | 40.1 | Very low | 39.1 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | -81.9 | 157 | 171.9 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 100 | A | 35.3 | Very low | 39.6 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | | | trans | 97.8 | 98 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 101 | G | 36.3 | Very low | 39.3 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | | 39.3 | 117.1 | 129.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 102 | Q | 33.4 | Very low | 39.5 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | | -172.2 | 139.3 | 118.5 | -109.3 | 177.5 | -21.8 | 0 | 0 | 111.4 | | |
| 103 | S | 34.9 | Very low | 40 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 57% | 0.566 | 80% | 0.797 | S | S | * | * | | | trans | -40.3 | 138.3 | 158.9 | 42.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 104 | H | 34.2 | Very low | 40.4 | Very low | 184 Ų | 184 | 137 Ų | 137 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | | | | 154.5 | 136.7 | 122.4 | -76.7 | -64.8 | 0 | 0 | 0 | 111.7 | | |
| 105 | A | 39.9 | Very low | 40.4 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -72.7 | 146 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 106 | A | 33.8 | Very low | 40.7 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | | | trans | 176.3 | 129.1 | 132.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 107 | L | 49.7 | Very low | 41 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | 46 | 117.6 | 134.3 | -67.4 | 164.3 | 0 | 0 | 0 | 118.7 | | |
| 108 | L | 47.3 | Very low | 41 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | | | | -175.3 | 93.2 | 126.8 | -84.3 | -170 | 0 | 0 | 0 | 107.1 | | |
| 109 | E | 40.1 | Very low | 41.4 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 57% | 0.57 | 78% | 0.776 | S | S | * | * | | | | 69.4 | 101.4 | 100.1 | -118.1 | -87.7 | 157.8 | 0 | 0 | 114.4 | Y111 | E109-Y111 HydrophobicContact CB-CE2 4.34Å; E109-Y111 WeakPolarHBondContact OE2-CD2 3.07Å; E109-Y111 WeakPolarHBondContact OE2-CE2 3.49Å |
| 110 | P | 45.8 | Very low | 41.4 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -79.4 | 111.4 | 166.6 | -5.3 | 23.2 | 0 | 0 | 0 | 110.6 | | |
| 111 | Y | 39.5 | Very low | 41.8 | Very low | 177 Ų | 177 | 146 Ų | 146 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | | | trans | -86.3 | 132.3 | 176.3 | -92.5 | -91.9 | 0 | 0 | 0 | 112.3 | E109 | E109-Y111 HydrophobicContact CB-CE2 4.34Å; E109-Y111 WeakPolarHBondContact OE2-CD2 3.07Å; E109-Y111 WeakPolarHBondContact OE2-CE2 3.49Å |
| 112 | F | 43.1 | Very low | 42.1 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | 109.7 | 143 | 156.9 | -67.8 | -66.7 | 0 | 0 | 0 | 119.4 | | |
| 113 | P | 51.9 | Low | 42.6 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | | | | -114 | 174.9 | -112.6 | 43.7 | -36.8 | 0 | 0 | 0 | 115.2 | | |
| 114 | P | 52.4 | Low | 42.6 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -93.5 | 143.7 | -160.8 | 35.1 | -30.7 | 0 | 0 | 0 | 114.9 | | |
| 115 | E | 38.7 | Very low | 42.9 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -71.1 | 137.7 | 165.8 | -105.5 | -173.9 | 146.1 | 0 | 0 | 110.8 | Y117 | E115-Y117 PolarHBondContact O-N 3.3Š|
| 116 | P | 51.5 | Low | 42.8 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | trans | -91.9 | 100.9 | -171.8 | 34.7 | -30.4 | 0 | 0 | 0 | 111.8 | | |
| 117 | Y | 39.8 | Very low | 43.2 | Very low | 224 Ų | 224 | 146.3 Ų | 146.3 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | | | trans | -160.9 | 94.9 | 150.5 | -138.2 | -99 | 0 | 0 | 0 | 106.9 | E115 | E115-Y117 PolarHBondContact O-N 3.3Š|
| 118 | G | 40.6 | Very low | 42.7 | Very low | 55 Ų | 55 | 145.9 Ų | 145.9 | 57% | 0.567 | 78% | 0.779 | S | S | * | * | | | | 58.9 | 109.8 | 100.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 119 | D | 40.9 | Very low | 42.9 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | cis | -174.5 | 167.7 | 31.8 | -88 | -61.3 | 0 | 0 | 0 | 110 | | |
| 120 | Y | 39.6 | Very low | 43.1 | Very low | 211 Ų | 211 | 140 Ų | 140 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | 90.6 | 85 | 157.4 | -52.6 | -71.3 | 0 | 0 | 0 | 120.9 | | |
| 121 | R | 45.4 | Very low | 43 | Very low | 228 Ų | 228 | 139.3 Ų | 139.3 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | | 52.6 | 153.5 | 123 | -92.2 | -77.8 | -135.1 | 163.3 | 6.1 | 121.2 | | |
| 122 | P | 42.3 | Very low | 43.6 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 57% | 0.571 | 79% | 0.789 | S | S | * | * | | | | -128.7 | -162.3 | -59.9 | 48.6 | -31.6 | 0 | 0 | 0 | 111.8 | | |
| 123 | P | 42.7 | Very low | 43.9 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 143.9 | -137.2 | 16.6 | 8.3 | 0 | 0 | 0 | 115 | L125 | P123-L125 PolarHBondContact O-N 3.15Š|
| 124 | A | 35.6 | Very low | 43.4 | Very low | 109 Ų | 109 | 139 Ų | 139 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 117.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 125 | L | 39.9 | Very low | 43.1 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 135.1 | 166.6 | -67.7 | 166.9 | 0 | 0 | 0 | 109.5 | P123 | P123-L125 PolarHBondContact O-N 3.15Š|
| 126 | T | 38.6 | Very low | 43.3 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | | | trans | 8.3 | 147 | 156.1 | 59.8 | 0 | 0 | 0 | 0 | 120.7 | N128 | T126-N128 PolarHBondContact O-N 2.71Å; T126-N128 VanDerWaalsContact O-N 3.09Å |
| 127 | P | 42.6 | Very low | 43.3 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | | | trans | -71 | 111.2 | -178.1 | 32.1 | -32 | 0 | 0 | 0 | 110.2 | | |
| 128 | N | 38.8 | Very low | 44 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -100.1 | 122.2 | 165.5 | -167.4 | 23.2 | 0 | 0 | 0 | 108.5 | T126 G130 | T126-N128 PolarHBondContact O-N 2.71Å; T126-N128 VanDerWaalsContact O-N 3.09Å; N128-G130 PolarHBondContact O-N 2.88Å |
| 129 | A | 50.6 | Low | 44.7 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | -64.1 | 124.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 130 | G | 44.8 | Very low | 45.5 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 163.2 | 117.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | N128 | N128-G130 PolarHBondContact O-N 2.88Š|
| 131 | S | 44 | Very low | 46.4 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | 90.4 | 114.1 | 153.3 | -149.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 132 | L | 52.5 | Low | 47.5 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | trans | -95.2 | 27.1 | -173.5 | -75.9 | 167.8 | 0 | 0 | 0 | 114.4 | | |
| 133 | F | 48.8 | Very low | 48.8 | Very low | 185 Ų | 185 | 125.9 Ų | 125.9 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -125.7 | 98.9 | 174.3 | -63.3 | -72.4 | 0 | 0 | 0 | 109.8 | A135 | F133-A135 PolarHBondContact O-N 2.84Š|
| 134 | S | 40.8 | Very low | 50.1 | Low | 122 Ų | 122 | 125.9 Ų | 125.9 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -56.3 | 104.6 | 169.2 | -167.5 | 0 | 0 | 0 | 0 | 108.9 | S136 | S134-S136 PolarHBondContact O-N 3.21Š|
| 135 | A | 45.9 | Very low | 51.7 | Low | 89 Ų | 89 | 126.2 Ų | 126.2 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -68.4 | 99.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | F133 T137 | F133-A135 PolarHBondContact O-N 2.84Å; A135-T137 PolarHBondContact O-N 3.07Å |
| 136 | S | 43.8 | Very low | 52.8 | Low | 87 Ų | 87 | 127.6 Ų | 127.6 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | | | trans | -52.2 | 123.3 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | S134 L138 | S134-S136 PolarHBondContact O-N 3.21Å; S136-L138 PolarHBondContact O-N 2.67Å |
| 137 | T | 51.9 | Low | 53.6 | Low | 143 Ų | 143 | 128.7 Ų | 128.7 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | trans | -87.2 | 26.5 | 174.9 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | A135 | A135-T137 PolarHBondContact O-N 3.07Š|
| 138 | L | 52.9 | Low | 54.1 | Low | 137 Ų | 137 | 125.5 Ų | 125.5 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | trans | -89.4 | 131.1 | 176.8 | -66.9 | 175.5 | 0 | 0 | 0 | 110.7 | S136 | S136-L138 PolarHBondContact O-N 2.67Š|
| 139 | P | 55.7 | Low | 54.5 | Low | 99 Ų | 99 | 124.6 Ų | 124.6 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | trans | -64.2 | 137.6 | 172 | 27.9 | -31.9 | 0 | 0 | 0 | 109 | L141 | P139-L141 PolarHBondContact O-N 3.38Š|
| 140 | P | 59.2 | Low | 54.6 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -64.1 | 113.5 | 176.5 | 25.2 | -31.2 | 0 | 0 | 0 | 109 | L142 | P140-L142 PolarHBondContact O-N 3.04Š|
| 141 | L | 58 | Low | 55.1 | Low | 168 Ų | 168 | 127.4 Ų | 127.4 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | | | trans | -72.7 | 21 | 176.5 | -78.1 | 168.4 | 0 | 0 | 0 | 113.3 | P139 | P139-L141 PolarHBondContact O-N 3.38Š|
| 142 | L | 68.2 | Low | 55.5 | Low | 145 Ų | 145 | 129.2 Ų | 129.2 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -122.5 | 130.3 | -179.2 | -65.4 | 174.1 | 0 | 0 | 0 | 109.5 | P140 | P140-L142 PolarHBondContact O-N 3.04Š|
| 143 | P | 69.4 | Low | 55.3 | Low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 143.1 | 175.6 | 25.6 | -32.3 | 0 | 0 | 0 | 109.7 | | |
| 144 | P | 70 | Confident | 55.3 | Low | 114 Ų | 114 | 130.3 Ų | 130.3 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 135.8 | 175.7 | 24.2 | -31.6 | 0 | 0 | 0 | 109.3 | | |
| 145 | P | 68.2 | Low | 55.8 | Low | 115 Ų | 115 | 134.8 Ų | 134.8 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 143 | 176.6 | 24.5 | -32.3 | 0 | 0 | 0 | 109.9 | | |
| 146 | F | 63.4 | Low | 55.7 | Low | 187 Ų | 187 | 139.6 Ų | 139.6 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.1 | -179.6 | -69.6 | -82.6 | 0 | 0 | 0 | 110.9 | G148 | F146-G148 PolarHBondContact O-N 2.83Š|
| 147 | P | 55.6 | Low | 55.6 | Low | 141 Ų | 141 | 143 Ų | 143 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 61.5 | -172.8 | 31.4 | -35.5 | 0 | 0 | 0 | 112.3 | | |
| 148 | G | 53.5 | Low | 55.7 | Low | 69 Ų | 69 | 141 Ų | 141 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.9 | 5.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | F146 | F146-G148 PolarHBondContact O-N 2.83Š|
| 149 | D | 47.6 | Very low | 55.9 | Low | 135 Ų | 135 | 146.4 Ų | 146.4 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | -100 | 117.6 | -178.8 | -151.9 | 7.4 | 0 | 0 | 0 | 111.6 | T151 | D149-T151 PolarHBondContact O-N 3.35Š|
| 150 | P | 52.7 | Low | 55.8 | Low | 98 Ų | 98 | 150.4 Ų | 150.4 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | | | trans | -68.9 | 117.6 | 179.3 | -14.8 | 28.6 | 0 | 0 | 0 | 111.3 | H152 | P150-H152 VanDerWaalsContact C-N 3.3Å; P150-H152 PolarHBondContact O-N 3.13Å |
| 151 | T | 53.9 | Low | 54.9 | Low | 131 Ų | 131 | 152.1 Ų | 152.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -67.9 | 80.5 | 173.1 | 52.1 | 0 | 0 | 0 | 0 | 111.5 | D149 | D149-T151 PolarHBondContact O-N 3.35Š|
| 152 | H | 54.4 | Low | 54.1 | Low | 152 Ų | 152 | 150.5 Ų | 150.5 | 70% | 0.704 | 79% | 0.792 | S | S | * | * | | | trans | -142.4 | 51.6 | 172.5 | -70.4 | -67.6 | 0 | 0 | 0 | 113.6 | P150 | P150-H152 VanDerWaalsContact C-N 3.3Å; P150-H152 PolarHBondContact O-N 3.13Å |
| 153 | F | 47.5 | Very low | 52.7 | Low | 211 Ų | 211 | 150.5 Ų | 150.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -143.6 | 80.6 | 154.1 | -86 | -75.3 | 0 | 0 | 0 | 110.2 | F155 | F153-F155 PolarHBondContact O-N 3.06Š|
| 154 | L | 48.6 | Very low | 51.5 | Low | 162 Ų | 162 | 151.4 Ų | 151.4 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -55.8 | 132 | 151.1 | -75.4 | 165.7 | 0 | 0 | 0 | 107.8 | R156 | L154-R156 PolarHBondContact O-N 3.32Š|
| 155 | F | 52 | Low | 50.1 | Low | 217 Ų | 217 | 153.9 Ų | 153.9 | 95% | 0.952 | 81% | 0.805 | S | S | * | * | | | trans | -29.6 | 101.5 | 164.5 | -85.5 | -105.3 | 0 | 0 | 0 | 111.5 | F153 | F153-F155 PolarHBondContact O-N 3.06Š|
| 156 | R | 43.3 | Very low | 48.9 | Very low | 190 Ų | 190 | 151.6 Ų | 151.6 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | | | trans | -125.4 | 117.9 | 167.6 | -172.2 | 175.1 | 175.2 | -158.5 | -5 | 106.7 | L154 S158 | L154-R156 PolarHBondContact O-N 3.32Å; R156-S158 PolarHBondContact O-N 2.72Å |
| 157 | D | 41 | Very low | 47.7 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -47.4 | 104 | -174 | -57.5 | -73.6 | 0 | 0 | 0 | 112 | W159 | D157-W159 VanDerWaalsContact C-N 3.31Å; D157-W159 PolarHBondContact O-N 2.93Å |
| 158 | S | 55 | Low | 46.8 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 75.5 | 178.6 | 169.7 | 0 | 0 | 0 | 0 | 109.4 | R156 | R156-S158 PolarHBondContact O-N 2.72Š|
| 159 | W | 55.8 | Low | 46 | Very low | 249 Ų | 249 | 153 Ų | 153 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.1 | -0.8 | 158.4 | -107.6 | -67.5 | 0 | 0 | 0 | 117.9 | D157 | D157-W159 VanDerWaalsContact C-N 3.31Å; D157-W159 PolarHBondContact O-N 2.93Å |
| 160 | E | 53.8 | Low | 46.1 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -139.1 | 92 | 170 | -64.3 | -159.1 | 116.6 | 0 | 0 | 110.7 | | |
| 161 | Q | 40.8 | Very low | 45.2 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | | | trans | -166.2 | 88.9 | 150.4 | -81.8 | -140.1 | 95.7 | 0 | 0 | 109.8 | | |
| 162 | T | 40.9 | Very low | 44.8 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | trans | -93.1 | 121.7 | 154.3 | -65.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 163 | L | 39.2 | Very low | 44 | Very low | 145 Ų | 145 | 151 Ų | 151 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | 134.2 | 107.7 | 156.2 | -72.3 | 176.7 | 0 | 0 | 0 | 111.5 | | |
| 164 | P | 44.5 | Very low | 43 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | | | trans | -89.3 | 99.4 | 157 | 32.1 | -20.8 | 0 | 0 | 0 | 107.9 | | |
| 165 | D | 41.3 | Very low | 42.2 | Very low | 167 Ų | 167 | 143 Ų | 143 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | | | trans | -117.5 | 103.2 | 157 | -158.7 | 64.4 | 0 | 0 | 0 | 107.3 | | |
| 166 | G | 42.1 | Very low | 41.4 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -174.3 | 48 | -170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 167 | L | 39 | Very low | 41.1 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -103.5 | 72.9 | 168.7 | -126.5 | 118.2 | 0 | 0 | 0 | 108.6 | Q169 | L167-Q169 PolarHBondContact O-N 2.93Š|
| 168 | S | 36.6 | Very low | 41.1 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -71.5 | 85.1 | 160 | 32 | 0 | 0 | 0 | 0 | 108.5 | | |
| 169 | Q | 36.7 | Very low | 40.3 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 127 | 167.9 | -166.4 | -167.2 | -45.7 | 0 | 0 | 109.1 | L167 | L167-Q169 PolarHBondContact O-N 2.93Š|
| 170 | P | 48.4 | Very low | 39.2 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 135.4 | 166 | 28.8 | -29.8 | 0 | 0 | 0 | 110.6 | P172 | P170-P172 WeakPolarHBondContact O-CD 3.15Š|
| 171 | D | 35 | Very low | 38.5 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 137.4 | 172.7 | -170.7 | -68 | 0 | 0 | 0 | 112 | V173 | D171-V173 PolarHBondContact OD1-N 2.91Š|
| 172 | P | 44 | Very low | 38.8 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -135.3 | 107.9 | 135.7 | 33 | -19.6 | 0 | 0 | 0 | 113.6 | P170 | P170-P172 WeakPolarHBondContact O-CD 3.15Š|
| 173 | V | 37.8 | Very low | 39 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | | | trans | 17.6 | 126.5 | 131.5 | 165 | 0 | 0 | 0 | 0 | 118.8 | D171 | D171-V173 PolarHBondContact OD1-N 2.91Š|
| 174 | S | 28.2 | Very low | 38.9 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 101.3 | 115.5 | 140.7 | -78 | 0 | 0 | 0 | 0 | 122.4 | | |
| 175 | A | 31.2 | Very low | 38.4 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | | 96.8 | 116.4 | 128.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 176 | D | 34.8 | Very low | 38.2 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | 90.1 | 108.3 | 134 | -142.5 | 34 | 0 | 0 | 0 | 119.5 | | |
| 177 | A | 36.3 | Very low | 37.7 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | | 173.3 | 124.2 | 121.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 178 | L | 42.3 | Very low | 37.9 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | trans | -72.4 | 170.7 | -178 | -67.1 | 158.8 | 0 | 0 | 0 | 113.9 | | |
| 179 | Q | 37.3 | Very low | 38 | Very low | 181 Ų | 181 | 126.7 Ų | 126.7 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | 94.7 | 129.4 | 154.9 | -57.3 | -137.7 | 71.4 | 0 | 0 | 115.5 | | |
| 180 | T | 33.1 | Very low | 38.3 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | cis | -165.6 | 146.9 | 17.1 | -77.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 181 | L | 39.5 | Very low | 38.1 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -92.3 | 157.9 | 167.7 | -109.5 | 138.7 | 0 | 0 | 0 | 110.6 | | |
| 182 | P | 47.6 | Very low | 38.4 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | | -143.6 | 167.3 | 103.5 | 37.4 | -22.4 | 0 | 0 | 0 | 115.5 | | |
| 183 | P | 43.2 | Very low | 38.2 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | | | trans | -102.6 | 167.8 | -178.5 | 38.4 | -30.7 | 0 | 0 | 0 | 114.4 | | |
| 184 | S | 38.4 | Very low | 37.9 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | 86.6 | 139.2 | 163.8 | -27 | 0 | 0 | 0 | 0 | 115.3 | | |
| 185 | T | 34.6 | Very low | 38 | Very low | 137 Ų | 137 | 131 Ų | 131 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | | | cis | -156.5 | 150 | 47.1 | 44.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 186 | S | 35.6 | Very low | 38.2 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | -54 | 147.5 | 161.1 | 169.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 187 | C | 32.8 | Very low | 38.2 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | | | trans | -166.1 | 110.7 | 140.2 | -88.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 188 | L | 43.5 | Very low | 38.4 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | | | trans | -57.1 | 137.1 | 160 | -70.3 | 160.7 | 0 | 0 | 0 | 109.9 | | |
| 189 | S | 38.8 | Very low | 38.1 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -141.1 | 95 | 160.6 | -70.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 190 | Q | 42.7 | Very low | 38.3 | Very low | 187 Ų | 187 | 137.7 Ų | 137.7 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -49.1 | 128.8 | 151.5 | -83.5 | 167.8 | -97.5 | 0 | 0 | 109.4 | | |
| 191 | L | 44.1 | Very low | 38.7 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -141.6 | 104 | 142.9 | -162 | 65.7 | 0 | 0 | 0 | 109 | | |
| 192 | E | 41.4 | Very low | 38.4 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -63.9 | 135.4 | 160.9 | -106 | -166.9 | 101 | 0 | 0 | 109.7 | | |
| 193 | S | 38.6 | Very low | 38.2 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -148.2 | 112.1 | 145.7 | -93.1 | 0 | 0 | 0 | 0 | 108 | | |
| 194 | G | 31.8 | Very low | 38.2 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | | | trans | -76.4 | 165.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 195 | S | 31 | Very low | 38.3 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | | 178.1 | 121.4 | 113.1 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 196 | T | 34 | Very low | 38.3 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | 58.2 | 93.8 | 145.5 | 60.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 197 | A | 36.7 | Very low | 38.9 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | | -177.9 | 119.6 | 101.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 198 | Q | 38.9 | Very low | 39.4 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -62.2 | 139.9 | 174.1 | -63.1 | 175.9 | -40.7 | 0 | 0 | 109.5 | | |
| 199 | H | 36.6 | Very low | 39.6 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | | | | -170.9 | 104.6 | 120.7 | -81.4 | -53.6 | 0 | 0 | 0 | 111 | | |
| 200 | R | 42.3 | Very low | 40.2 | Very low | 239 Ų | 239 | 136.1 Ų | 136.1 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | 66.8 | 86.5 | 141.7 | -154.1 | 179.1 | -80.3 | -168.2 | -3.5 | 117.1 | | |
| 201 | G | 40.2 | Very low | 40.1 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | | | trans | -67.4 | 156.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 202 | S | 34.6 | Very low | 40.2 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | | | trans | -145 | 100.1 | 146.2 | -166.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 203 | S | 43 | Very low | 40.4 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | | | trans | -79.7 | 116.8 | 167.7 | 63.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 204 | W | 43.6 | Very low | 40.7 | Very low | 237 Ų | 237 | 133.4 Ų | 133.4 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | | | trans | -118.9 | 107.3 | 150 | -78.1 | 69.2 | 0 | 0 | 0 | 105.6 | | |
| 205 | G | 39.1 | Very low | 41.7 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | | | trans | -67.9 | 148 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 206 | T | 36.2 | Very low | 42.6 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | | | | -140.1 | 99.6 | 129.7 | -8.9 | 0 | 0 | 0 | 0 | 105.3 | L208 | T206-L208 PolarHBondContact O-N 3.28Š|
| 207 | S | 46.7 | Very low | 43.3 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | -63.1 | 106 | 164.8 | -78.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 208 | L | 44 | Very low | 44 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | | | trans | -85.5 | 117 | 158.7 | -171 | 62.5 | 0 | 0 | 0 | 107.1 | T206 G210 | T206-L208 PolarHBondContact O-N 3.28Å; L208-G210 PolarHBondContact O-N 3.15Å |
| 209 | A | 47.6 | Very low | 44.8 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 125.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 210 | G | 50.4 | Low | 45.8 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.2 | -0.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | L208 Q212 | L208-G210 PolarHBondContact O-N 3.15Å; G210-Q212 PolarHBondContact O-N 2.86Å; G210-Q212 VanDerWaalsContact O-N 3.15Å |
| 211 | A | 41.6 | Very low | 46.4 | Very low | 91 Ų | 91 | 131 Ų | 131 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -82.5 | 92.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S213 | A211-S213 PolarHBondContact O-N 3Å; A211-S213 VanDerWaalsContact O-N 3.11Å |
| 212 | Q | 46.2 | Very low | 46.7 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -57.9 | 113.8 | 161.3 | -72.4 | -73.4 | -41.8 | 0 | 0 | 107.5 | G210 Y214 | G210-Q212 PolarHBondContact O-N 2.86Å; G210-Q212 VanDerWaalsContact O-N 3.15Å; Q212-Y214 PolarHBondContact O-N 2.88Å; Q212-Y214 VanDerWaalsContact O-N 3.13Å |
| 213 | S | 46.1 | Very low | 47.5 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -70.5 | 106.3 | 169.3 | -63.2 | 0 | 0 | 0 | 0 | 106.9 | A211 S215 | A211-S213 PolarHBondContact O-N 3Å; A211-S213 VanDerWaalsContact O-N 3.11Å; S213-S215 PolarHBondContact O-N 3.33Å |
| 214 | Y | 43.7 | Very low | 47.7 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -59.8 | 125.4 | 172.2 | -80.3 | -90.5 | 0 | 0 | 0 | 108.7 | Q212 L216 | Q212-Y214 PolarHBondContact O-N 2.88Å; Q212-Y214 VanDerWaalsContact O-N 3.13Å; Y214-L216 PolarHBondContact O-N 2.75Å; Y214-L216 VanDerWaalsContact O-N 3.1Å |
| 215 | S | 53.3 | Low | 47.7 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | | | trans | -60.2 | 112 | 164 | 172.5 | 0 | 0 | 0 | 0 | 107.2 | S213 H217 | S213-S215 PolarHBondContact O-N 3.33Å; S215-H217 VanDerWaalsContact C-N 3.34Å; S215-H217 PolarHBondContact O-N 2.88Å |
| 216 | L | 50 | Low | 48.3 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | | | trans | -67.3 | 101.5 | 163.8 | -73.7 | 177.3 | 0 | 0 | 0 | 106.3 | Y214 A218 | Y214-L216 PolarHBondContact O-N 2.75Å; Y214-L216 VanDerWaalsContact O-N 3.1Å; L216-A218 PolarHBondContact O-N 3.28Å; L216-A218 VanDerWaalsContact O-N 3.15Å |
| 217 | H | 48.9 | Very low | 48.7 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -53.8 | 120.5 | 163.2 | -83 | -81.9 | 0 | 0 | 0 | 107.6 | S215 L219 | S215-H217 VanDerWaalsContact C-N 3.34Å; S215-H217 PolarHBondContact O-N 2.88Å; H217-L219 PolarHBondContact O-N 3.35Å; H217-L219 VanDerWaalsContact O-N 3.11Å |
| 218 | A | 51.1 | Low | 49 | Very low | 69 Ų | 69 | 139 Ų | 139 | 57% | 0.57 | 78% | 0.781 | S | S | * | * | | | trans | -55.6 | 119.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107 | L216 E220 | L216-A218 PolarHBondContact O-N 3.28Å; L216-A218 VanDerWaalsContact O-N 3.15Å; A218-E220 HydrophobicContact CB-CG 4.01Å; A218-E220 PolarHBondContact O-N 3.06Å |
| 219 | L | 54.9 | Low | 49.6 | Very low | 164 Ų | 164 | 137 Ų | 137 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | -77.7 | 62.8 | 176.9 | -132.3 | 152.1 | 0 | 0 | 0 | 107.5 | H217 | H217-L219 PolarHBondContact O-N 3.35Å; H217-L219 VanDerWaalsContact O-N 3.11Å |
| 220 | E | 57.7 | Low | 50 | Low | 161 Ų | 161 | 138.5 Ų | 138.5 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | -107.4 | 46.2 | 177.9 | 62.7 | 176.6 | 130.5 | 0 | 0 | 110.7 | A218 | A218-E220 HydrophobicContact CB-CG 4.01Å; A218-E220 PolarHBondContact O-N 3.06Å |
| 221 | D | 55.7 | Low | 50.4 | Low | 126 Ų | 126 | 140.1 Ų | 140.1 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | | | trans | -160.6 | 79.8 | 158.7 | -119.7 | -21.5 | 0 | 0 | 0 | 111.2 | H223 | D221-H223 IonicContact OD1-CE1 3.69Å; D221-H223 IonicContact OD1-NE2 3.62Å |
| 222 | L | 46.4 | Very low | 51.4 | Low | 150 Ų | 150 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -137.2 | 92.9 | 151.5 | -162.8 | 64 | 0 | 0 | 0 | 107.9 | H224 | L222-H224 PolarHBondContact O-N 2.86Å; L222-H224 VanDerWaalsContact O-N 3.16Å |
| 223 | H | 51.3 | Low | 52.2 | Low | 153 Ų | 153 | 139.2 Ų | 139.2 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | | | trans | -37 | 116.7 | 175.8 | -60.8 | -80.8 | 0 | 0 | 0 | 112.4 | D221 T225 | D221-H223 IonicContact OD1-CE1 3.69Å; D221-H223 IonicContact OD1-NE2 3.62Å; H223-T225 PolarHBondContact O-N 3.14Å; H223-T225 VanDerWaalsContact O-N 3.13Å |
| 224 | H | 47 | Very low | 52.1 | Low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -61.6 | 111.4 | 164.9 | -65.1 | -70.3 | 0 | 0 | 0 | 109.1 | L222 | L222-H224 PolarHBondContact O-N 2.86Å; L222-H224 VanDerWaalsContact O-N 3.16Å |
| 225 | T | 43.4 | Very low | 52.4 | Low | 130 Ų | 130 | 138.2 Ų | 138.2 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | | | trans | -98.2 | 113.5 | 153.6 | 38.1 | 0 | 0 | 0 | 0 | 107.6 | H223 G227 | H223-T225 PolarHBondContact O-N 3.14Å; H223-T225 VanDerWaalsContact O-N 3.13Å; T225-G227 PolarHBondContact O-N 2.95Å |
| 226 | P | 52.8 | Low | 52 | Low | 135 Ų | 135 | 142.6 Ų | 142.6 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | | | trans | -76.2 | 105.2 | 171.7 | -4.3 | 21.1 | 0 | 0 | 0 | 107.8 | | |
| 227 | G | 43.5 | Very low | 51.9 | Low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | -162.7 | 95.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T225 | T225-G227 PolarHBondContact O-N 2.95Š|
| 228 | Y | 53.5 | Low | 51.9 | Low | 222 Ų | 222 | 137.5 Ų | 137.5 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 141.7 | 166.6 | -83.8 | -97.5 | 0 | 0 | 0 | 111.1 | T230 | Y228-T230 PolarHBondContact O-N 3.28Š|
| 229 | P | 57.6 | Low | 51.8 | Low | 120 Ų | 120 | 142.2 Ų | 142.2 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123 | 164.2 | 27.9 | -30.1 | 0 | 0 | 0 | 109.4 | | |
| 230 | T | 55.4 | Low | 52.1 | Low | 131 Ų | 131 | 142.4 Ų | 142.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 125.8 | 168.3 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | Y228 | Y228-T230 PolarHBondContact O-N 3.28Š|
| 231 | P | 58 | Low | 51.5 | Low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -73 | 145 | 171.2 | 27.7 | -30.2 | 0 | 0 | 0 | 111 | | |
| 232 | P | 62.3 | Low | 51.2 | Low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 147.4 | -177.1 | 27 | -33.9 | 0 | 0 | 0 | 112.2 | Y234 | P232-Y234 PolarHBondContact O-N 3.2Š|
| 233 | P | 63.3 | Low | 50.8 | Low | 124 Ų | 124 | 140.9 Ų | 140.9 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -86.4 | 90.9 | -178.7 | 33.8 | -29.5 | 0 | 0 | 0 | 109.7 | | |
| 234 | Y | 43.9 | Very low | 50.7 | Low | 208 Ų | 208 | 141 Ų | 141 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | | | trans | -157 | 141.4 | 155.9 | -133.3 | -102.3 | 0 | 0 | 0 | 111.6 | P232 F236 | P232-Y234 PolarHBondContact O-N 3.2Å; Y234-F236 PolarHBondContact O-N 2.83Å |
| 235 | P | 50.9 | Low | 50.3 | Low | 103 Ų | 103 | 139.6 Ų | 139.6 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | trans | -92.2 | 105.2 | -162.5 | 33.2 | -22.5 | 0 | 0 | 0 | 110 | | |
| 236 | F | 44.8 | Very low | 50.3 | Low | 186 Ų | 186 | 140.7 Ų | 140.7 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | -111.5 | 110 | 157 | -86 | -84 | 0 | 0 | 0 | 108 | Y234 P238 | Y234-F236 PolarHBondContact O-N 2.83Å; F236-P238 WeakPolarHBondContact O-CD 3.41Å |
| 237 | N | 47.4 | Very low | 50.1 | Low | 107 Ų | 107 | 139.4 Ų | 139.4 | 57% | 0.572 | 78% | 0.78 | S | S | * | * | | | trans | -72.1 | 119 | 176 | 44.7 | -7.1 | 0 | 0 | 0 | 110 | F239 | N237-F239 PolarHBondContact O-N 3.1Š|
| 238 | P | 48.7 | Very low | 50.3 | Low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -69 | 114.2 | 170.8 | -12.3 | 27.8 | 0 | 0 | 0 | 108.5 | F236 M240 | F236-P238 WeakPolarHBondContact O-CD 3.41Å; P238-M240 PolarHBondContact O-N 2.96Å |
| 239 | F | 49.6 | Very low | 49.5 | Very low | 169 Ų | 169 | 140 Ų | 140 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | -71.5 | 74.7 | 174.9 | -73.5 | -84.5 | 0 | 0 | 0 | 110.7 | N237 | N237-F239 PolarHBondContact O-N 3.1Š|
| 240 | M | 61.5 | Low | 48.5 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | trans | -145.4 | 82.4 | 164.1 | -73.7 | -66.8 | 130.8 | 0 | 0 | 107.9 | P238 | P238-M240 PolarHBondContact O-N 2.96Š|
| 241 | T | 44.1 | Very low | 47.5 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | -171.7 | 124.3 | 149.4 | -75.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 242 | V | 50.8 | Low | 46.7 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -64.1 | 134.9 | 175.1 | -68.4 | 0 | 0 | 0 | 0 | 111 | | |
| 243 | S | 37.7 | Very low | 45.5 | Very low | 123 Ų | 123 | 141 Ų | 141 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -143.2 | 119.6 | 159.2 | -157.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 244 | N | 48.9 | Very low | 43.8 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -91.1 | 116.3 | -179 | -164.3 | -60.4 | 0 | 0 | 0 | 106.6 | | |
| 245 | D | 37.5 | Very low | 43.5 | Very low | 156 Ų | 156 | 136 Ų | 136 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | trans | -169.5 | 110.2 | 151.7 | -118.6 | -16.8 | 0 | 0 | 0 | 110.3 | | |
| 246 | L | 44.8 | Very low | 42.7 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | -78 | 170 | 150.1 | -104.2 | 95.7 | 0 | 0 | 0 | 107.9 | | |
| 247 | P | 47.5 | Very low | 42.2 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | cis | -142.1 | -142.2 | 12.4 | 37.9 | -13.3 | 0 | 0 | 0 | 110.6 | | |
| 248 | P | 48.7 | Very low | 41.7 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | | | cis | -120.5 | 177.2 | -40.2 | 25.9 | -5.4 | 0 | 0 | 0 | 111.5 | | |
| 249 | K | 35.7 | Very low | 41 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | 150.4 | 100.3 | 131.3 | -160.4 | 90.4 | 168.2 | -165.1 | 0 | 113.2 | | |
| 250 | V | 36.7 | Very low | 40.3 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | 57.7 | 105.6 | 133.2 | -162.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 251 | G | 34.5 | Very low | 39 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | | 121.2 | 175 | 62.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 252 | P | 41.7 | Very low | 38.5 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | cis | -130.9 | 147.8 | -23 | 36.9 | -18.6 | 0 | 0 | 0 | 115.6 | | |
| 253 | L | 37 | Very low | 38 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | | | trans | 47.7 | 119.4 | 139.5 | -52.8 | 174.9 | 0 | 0 | 0 | 123.2 | | |
| 254 | S | 28.4 | Very low | 38.1 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | | -149.2 | 132.3 | 126.2 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 255 | P | 37.2 | Very low | 37.7 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | trans | -102.4 | -179.2 | -176.3 | 40.3 | -32.6 | 0 | 0 | 0 | 113.7 | | |
| 256 | D | 32.8 | Very low | 37.4 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 83.3 | 115.6 | 179.9 | -101.4 | -117.7 | 0 | 0 | 0 | 114.7 | | |
| 257 | E | 36.3 | Very low | 37.3 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | | | cis | -145.2 | 130.4 | 43.3 | -143.2 | 169.2 | 94.5 | 0 | 0 | 110.8 | | |
| 258 | E | 36 | Very low | 36.8 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | trans | -101.6 | 122.3 | 176 | 175.4 | -176 | 159 | 0 | 0 | 108.9 | | |
| 259 | A | 34.7 | Very low | 36.7 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | 173.7 | 131.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 260 | D | 33.5 | Very low | 37.1 | Very low | 132 Ų | 132 | 134 Ų | 134 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | cis | -170.1 | 144.8 | 6.8 | -112.1 | -47.5 | 0 | 0 | 0 | 106 | | |
| 261 | T | 35 | Very low | 37.2 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | 55.9 | 104.8 | 151 | 68.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 262 | C | 32.9 | Very low | 38 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | | 172.6 | 105.5 | 99.9 | -154.6 | 0 | 0 | 0 | 0 | 108.9 | L264 | C262-L264 PolarHBondContact O-N 3.4Š|
| 263 | S | 41.7 | Very low | 38.3 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -73.4 | 117.2 | 162.4 | 85.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 264 | L | 38.4 | Very low | 39 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -147.6 | 92.3 | 153 | -136.6 | 153.8 | 0 | 0 | 0 | 108.2 | C262 D266 | C262-L264 PolarHBondContact O-N 3.4Å; L264-D266 PolarHBondContact O-N 3.49Å |
| 265 | H | 41.5 | Very low | 39.9 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | | | trans | -51.8 | 118.1 | 161.6 | -113.7 | -91.4 | 0 | 0 | 0 | 109 | | |
| 266 | D | 29.7 | Very low | 40.3 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | -134.6 | 89.1 | 149.3 | -170.9 | 56.7 | 0 | 0 | 0 | 108.6 | L264 S268 | L264-D266 PolarHBondContact O-N 3.49Å; D266-S268 VanDerWaalsContact C-N 3.31Å; D266-S268 PolarHBondContact O-N 3.03Å; D266-S268 VanDerWaalsContact O-N 3.15Å |
| 267 | P | 43.1 | Very low | 41.1 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | | | trans | -77.6 | 91.5 | 163.4 | 30.9 | -25.8 | 0 | 0 | 0 | 106.6 | P269 | P267-P269 WeakPolarHBondContact O-CD 3Š|
| 268 | S | 38.2 | Very low | 42 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | | | trans | -47.6 | 108.9 | 169.6 | 166.7 | 0 | 0 | 0 | 0 | 109.4 | D266 W270 | D266-S268 VanDerWaalsContact C-N 3.31Å; D266-S268 PolarHBondContact O-N 3.03Å; D266-S268 VanDerWaalsContact O-N 3.15Å; S268-W270 PolarHBondContact O-N 2.87Å; S268-W270 VanDerWaalsContact O-N 3.15Å |
| 269 | P | 45.2 | Very low | 43 | Very low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -79 | 109.1 | -179.3 | 30.1 | -26.3 | 0 | 0 | 0 | 106.6 | P267 A271 | P267-P269 WeakPolarHBondContact O-CD 3Å; P269-A271 VanDerWaalsContact C-N 3.28Å; P269-A271 PolarHBondContact O-N 3.22Å |
| 270 | W | 43.8 | Very low | 43.8 | Very low | 237 Ų | 237 | 132.4 Ų | 132.4 | 90% | 0.898 | 74% | 0.741 | S | S | * | * | | | trans | -56.8 | 103.5 | 157.6 | -78.7 | 49 | 0 | 0 | 0 | 106.1 | S268 K272 | S268-W270 PolarHBondContact O-N 2.87Å; S268-W270 VanDerWaalsContact O-N 3.15Å; W270-K272 PolarHBondContact O-N 3.08Å |
| 271 | A | 40.4 | Very low | 44.5 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | | | trans | -57.4 | 114.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | P269 E273 | P269-A271 VanDerWaalsContact C-N 3.28Å; P269-A271 PolarHBondContact O-N 3.22Å; A271-E273 VanDerWaalsContact C-N 3.25Å; A271-E273 PolarHBondContact O-N 3.02Å |
| 272 | K | 50.2 | Low | 45.2 | Very low | 199 Ų | 199 | 136.5 Ų | 136.5 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | | | trans | -54.6 | 97.4 | 157.7 | -80.4 | -173.6 | 170.7 | -172.3 | 0 | 107 | W270 D274 | W270-K272 PolarHBondContact O-N 3.08Å; K272-D274 PolarHBondContact O-N 2.93Å |
| 273 | E | 49.2 | Very low | 46.4 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | trans | -79 | 73.7 | 159.2 | -165.7 | -178.8 | 124.8 | 0 | 0 | 106.8 | A271 G275 | A271-E273 VanDerWaalsContact C-N 3.25Å; A271-E273 PolarHBondContact O-N 3.02Å; E273-G275 VanDerWaalsContact C-N 3.31Å; E273-G275 PolarHBondContact O-N 2.91Å |
| 274 | D | 51.2 | Low | 46.8 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | trans | -78.7 | 95.1 | 153.2 | -175.3 | 44.4 | 0 | 0 | 0 | 105.4 | K272 | K272-D274 PolarHBondContact O-N 2.93Š|
| 275 | G | 46.3 | Very low | 47.9 | Very low | 37 Ų | 37 | 141.5 Ų | 141.5 | 38% | 0.381 | 75% | 0.749 | S | S | . | * | | | trans | -159.5 | 76.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | E273 I277 | E273-G275 VanDerWaalsContact C-N 3.31Å; E273-G275 PolarHBondContact O-N 2.91Å; G275-I277 PolarHBondContact O-N 3.33Å |
| 276 | S | 45.7 | Very low | 48.7 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | trans | -32.8 | 101.1 | 158 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | P278 | S276-P278 WeakPolarHBondContact O-CD 3.42Š|
| 277 | I | 51.2 | Low | 49.9 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | trans | -89.2 | 97.8 | 167.3 | -69 | 149.6 | 0 | 0 | 0 | 105.3 | G275 W279 | G275-I277 PolarHBondContact O-N 3.33Å; I277-W279 PolarHBondContact O-N 3.11Å; I277-W279 VanDerWaalsContact O-N 3.14Å |
| 278 | P | 55.2 | Low | 50.1 | Low | 110 Ų | 110 | 151.5 Ų | 151.5 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | trans | -62.7 | 120.5 | 164.8 | 27.7 | -31.6 | 0 | 0 | 0 | 106 | S276 G280 | S276-P278 WeakPolarHBondContact O-CD 3.42Å; P278-G280 PolarHBondContact O-N 2.85Å |
| 279 | W | 56.3 | Low | 50.7 | Low | 245 Ų | 245 | 155.1 Ų | 155.1 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | | | trans | -43.9 | 105.4 | 171 | -65.8 | 77.3 | 0 | 0 | 0 | 108.4 | I277 S281 | I277-W279 PolarHBondContact O-N 3.11Å; I277-W279 VanDerWaalsContact O-N 3.14Å; W279-S281 PolarHBondContact O-N 3.05Å; W279-S281 VanDerWaalsContact O-N 3.1Å |
| 280 | G | 51.8 | Low | 51 | Low | 67 Ų | 67 | 157.3 Ų | 157.3 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | -57.5 | 120.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | P278 Y282 | P278-G280 PolarHBondContact O-N 2.85Å; G280-Y282 PolarHBondContact O-N 3.31Å |
| 281 | S | 47.4 | Very low | 51.4 | Low | 119 Ų | 119 | 152.9 Ų | 152.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -45.2 | 110.7 | 171.9 | -60.5 | 0 | 0 | 0 | 0 | 109 | W279 E283 | W279-S281 PolarHBondContact O-N 3.05Å; W279-S281 VanDerWaalsContact O-N 3.1Å; S281-E283 VanDerWaalsContact C-N 3.32Å; S281-E283 PolarHBondContact O-N 3.44Å |
| 282 | Y | 50.3 | Low | 52.1 | Low | 225 Ų | 225 | 156.5 Ų | 156.5 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | trans | -71.5 | 93.2 | 179.9 | -155.1 | -94.5 | 0 | 0 | 0 | 107.8 | G280 C284 | G280-Y282 PolarHBondContact O-N 3.31Å; Y282-C284 PolarHBondContact O-N 3.49Å; Y282-C284 VanDerWaalsContact O-N 3.08Å |
| 283 | E | 56.7 | Low | 52.2 | Low | 160 Ų | 160 | 153.8 Ų | 153.8 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -66.1 | 109 | 173.5 | -172.8 | 163.1 | -168 | 0 | 0 | 108.7 | S281 R285 | S281-E283 VanDerWaalsContact C-N 3.32Å; S281-E283 PolarHBondContact O-N 3.44Å; E283-R285 PolarHBondContact O-N 3.43Å |
| 284 | C | 50.2 | Low | 52.4 | Low | 115 Ų | 115 | 153.5 Ų | 153.5 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | | | trans | -64.3 | 91.6 | 176.3 | -175 | 0 | 0 | 0 | 0 | 109.7 | Y282 R286 | Y282-C284 PolarHBondContact O-N 3.49Å; Y282-C284 VanDerWaalsContact O-N 3.08Å; C284-R286 PolarHBondContact O-N 2.81Å |
| 285 | R | 61.7 | Low | 52.5 | Low | 219 Ų | 219 | 153.4 Ų | 153.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | -82.6 | 104 | 167.1 | -71.3 | -148.3 | -70.6 | -107.2 | 1.7 | 110.1 | E283 | E283-R285 PolarHBondContact O-N 3.43Š|
| 286 | R | 59.9 | Low | 53 | Low | 222 Ų | 222 | 162.3 Ų | 162.3 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -48.7 | 130.3 | 162.2 | -169.5 | -177.5 | -61 | -158.4 | 0.7 | 110.1 | C284 | C284-R286 PolarHBondContact O-N 2.81Š|
| 287 | A | 53.1 | Low | 53.6 | Low | 93 Ų | 93 | 166.2 Ų | 166.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -111.4 | 134.9 | 161 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 288 | Y | 48.9 | Very low | 53.8 | Low | 295 Ų | 295 | 170 Ų | 170 | 100% | 1.157 | 83% | 0.833 | S | S | * | * | | | trans | -62.2 | 0 | -176.7 | -73 | -94.6 | 0 | 0 | 0 | 113.4 | | |