| 1 | M | 84.8 | Confident | 89 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 28% | 0.281 | 40% | 0.401 | S | S | . | . | | | | 0 | 131.4 | 0 | 175.6 | 166.7 | 134.4 | 0 | 0 | 109.6 | V3 Y11 W12 I14 | M1-V3 HydrophobicContact CE-CG2 3.47Å; M1-V3 VanDerWaalsContact CE-CG2 3.47Å; M1-V3 HydrophobicContact CG-CG2 4.15Å; M1-Y11 CarbonylContact O-C 3.57Å; M1-Y11 WeakPolarHBondContact O-CA 3.3Å; M1-W12 HydrophobicContact CB-CB 4.42Å; M1-W12 HydrophobicContact CE-CE3 3.6Å; M1-W12 HydrophobicContact CE-CZ3 3.99Å; M1-W12 PolarHBondContact N-O 2.93Å; M1-W12 PolarHBondContact O-N 3.29Å; M1-W12 HydrophobicContact SD-CE3 3.83Å; M1-W12 HydrophobicContact SD-CZ3 4.27Å; M1-I14 HydrophobicContact CB-CD1 4.3Å; M1-I14 HydrophobicContact CB-CG1 4.42Å |
| 2 | R | 88.3 | Confident | 89 | Confident | 107 Ų | 107 | 77.3 Ų | 77.3 | 40% | 0.404 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 133 | 173.8 | 177.7 | -178.1 | 164.4 | -170.8 | -5 | 109.4 | T9 Y11 | R2-T9 HydrophobicContact CG-CG2 3.6Å; R2-T9 VanDerWaalsContact NE-CG2 3.25Å; R2-Y11 HydrophobicContact CB-CD1 3.97Å; R2-Y11 HydrophobicContact CB-CE1 3.97Å; R2-Y11 HydrophobicContact CG-CD1 4.14Å; R2-Y11 HydrophobicContact CG-CE1 3.78Å |
| 3 | V | 89 | Confident | 88.9 | Confident | 34 Ų | 34 | 78.2 Ų | 78.2 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 141.9 | 175 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | M1 T9 Y10 | M1-V3 HydrophobicContact CE-CG2 3.47Å; M1-V3 VanDerWaalsContact CE-CG2 3.47Å; M1-V3 HydrophobicContact CG-CG2 4.15Å; V3-T9 WeakPolarHBondContact O-CA 3.39Å; V3-Y10 HydrophobicContact CB-CD1 4.09Å; V3-Y10 HydrophobicContact CB-CD2 4.09Å; V3-Y10 HydrophobicContact CB-CE1 3.57Å; V3-Y10 HydrophobicContact CB-CE2 3.57Å; V3-Y10 HydrophobicContact CB-CG 4.34Å; V3-Y10 HydrophobicContact CG1-CD1 4.46Å; V3-Y10 HydrophobicContact CG1-CE1 3.56Å; V3-Y10 HydrophobicContact CG1-CE2 4.18Å; V3-Y10 VanDerWaalsContact CG1-CZ 3.41Å; V3-Y10 VanDerWaalsContact CG1-OH 3.23Å; V3-Y10 WeakPolarHBondContact CG1-OH 3.3Å; V3-Y10 HydrophobicContact CG2-CD2 4.41Å; V3-Y10 HydrophobicContact CG2-CE2 3.71Å; V3-Y10 PolarHBondContact N-O 2.93Å; V3-Y10 PolarHBondContact O-N 2.99Å |
| 4 | Q | 90.7 | Very high | 88.9 | Confident | 129 Ų | 129 | 78.7 Ų | 78.7 | 60% | 0.603 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127 | -177.7 | -161 | 159.5 | 62.8 | 0 | 0 | 109.1 | G8 T9 | Q4-G8 WeakPolarHBondContact CA-O 3.48Å; Q4-T9 PolarHBondContact NE2-OG1 3.42Å |
| 5 | D | 88.9 | Confident | 88.9 | Confident | 95 Ų | 95 | 80.9 Ų | 80.9 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 179 | -174.9 | -172.6 | 15.8 | 0 | 0 | 0 | 109.8 | S7 G8 | D5-S7 PolarHBondContact O-N 3.19Å; D5-S7 VanDerWaalsContact O-N 3.11Å; D5-G8 PolarHBondContact N-O 3.06Å; D5-G8 PolarHBondContact O-N 3.21Å |
| 6 | T | 90.9 | Very high | 88.7 | Confident | 144 Ų | 144 | 81.6 Ų | 81.6 | 88% | 0.883 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -26.4 | 175.4 | 57 | 0 | 0 | 0 | 0 | 113.6 | | |
| 7 | S | 86.6 | Confident | 88.8 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 57% | 0.566 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10.5 | 177.5 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | D5 | D5-S7 PolarHBondContact O-N 3.19Å; D5-S7 VanDerWaalsContact O-N 3.11Å |
| 8 | G | 88.3 | Confident | 88.6 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.4 | -149.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q4 D5 | Q4-G8 WeakPolarHBondContact CA-O 3.48Å; D5-G8 PolarHBondContact N-O 3.06Å; D5-G8 PolarHBondContact O-N 3.21Å |
| 9 | T | 91.2 | Very high | 88.7 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 22% | 0.215 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 131.1 | -175.2 | -47.7 | 0 | 0 | 0 | 0 | 110.1 | R2 V3 Q4 Y11 | R2-T9 HydrophobicContact CG-CG2 3.6Å; R2-T9 VanDerWaalsContact NE-CG2 3.25Å; V3-T9 WeakPolarHBondContact O-CA 3.39Å; Q4-T9 PolarHBondContact NE2-OG1 3.42Å; T9-Y11 HydrophobicContact CG2-CE2 4.03Å |
| 10 | Y | 89.5 | Confident | 88.6 | Confident | 73 Ų | 73 | 79.8 Ų | 79.8 | 29% | 0.286 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 154.5 | 171.5 | 65.6 | -88.4 | 0 | 0 | 0 | 110.9 | V3 | V3-Y10 HydrophobicContact CB-CD1 4.09Å; V3-Y10 HydrophobicContact CB-CD2 4.09Å; V3-Y10 HydrophobicContact CB-CE1 3.57Å; V3-Y10 HydrophobicContact CB-CE2 3.57Å; V3-Y10 HydrophobicContact CB-CG 4.34Å; V3-Y10 HydrophobicContact CG1-CD1 4.46Å; V3-Y10 HydrophobicContact CG1-CE1 3.56Å; V3-Y10 HydrophobicContact CG1-CE2 4.18Å; V3-Y10 VanDerWaalsContact CG1-CZ 3.41Å; V3-Y10 VanDerWaalsContact CG1-OH 3.23Å; V3-Y10 WeakPolarHBondContact CG1-OH 3.3Å; V3-Y10 HydrophobicContact CG2-CD2 4.41Å; V3-Y10 HydrophobicContact CG2-CE2 3.71Å; V3-Y10 PolarHBondContact N-O 2.93Å; V3-Y10 PolarHBondContact O-N 2.99Å |
| 11 | Y | 90.9 | Very high | 88.6 | Confident | 43 Ų | 43 | 83.6 Ų | 83.6 | 17% | 0.169 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.6 | -179.4 | -57.7 | -97.9 | 0 | 0 | 0 | 108.3 | M1 R2 T9 T19 Q20 E22 P23 P24 | M1-Y11 CarbonylContact O-C 3.57Å; M1-Y11 WeakPolarHBondContact O-CA 3.3Å; R2-Y11 HydrophobicContact CB-CD1 3.97Å; R2-Y11 HydrophobicContact CB-CE1 3.97Å; R2-Y11 HydrophobicContact CG-CD1 4.14Å; R2-Y11 HydrophobicContact CG-CE1 3.78Å; T9-Y11 HydrophobicContact CG2-CE2 4.03Å; Y11-T19 CarbonylContact O-C 3.52Å; Y11-T19 WeakPolarHBondContact O-CA 3.36Å; Y11-Q20 PolarHBondContact N-O 3.04Å; Y11-Q20 PolarHBondContact O-N 3.13Å; Y11-E22 VanDerWaalsContact CD2-O 3.26Å; Y11-E22 WeakPolarHBondContact CD2-O 3.34Å; Y11-P23 HydrophobicContact CE1-CB 4.42Å; Y11-P23 VanDerWaalsContact CE2-CA 3.49Å; Y11-P23 HydrophobicContact CE2-CB 4.03Å; Y11-P23 HydrophobicContact CE2-CG 4.09Å; Y11-P24 VanDerWaalsContact CD1-CD 3.48Å; Y11-P24 HydrophobicContact CD1-CG 4.19Å |
| 12 | W | 88.6 | Confident | 88.7 | Confident | 101 Ų | 101 | 87 Ų | 87 | 38% | 0.383 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.2 | 178 | -172.5 | 34.5 | 0 | 0 | 0 | 110.4 | M1 I14 T19 | M1-W12 HydrophobicContact CB-CB 4.42Å; M1-W12 HydrophobicContact CE-CE3 3.6Å; M1-W12 HydrophobicContact CE-CZ3 3.99Å; M1-W12 PolarHBondContact N-O 2.93Å; M1-W12 PolarHBondContact O-N 3.29Å; M1-W12 HydrophobicContact SD-CE3 3.83Å; M1-W12 HydrophobicContact SD-CZ3 4.27Å; W12-I14 HydrophobicContact CE3-CG1 4.44Å; W12-T19 HydrophobicContact CG-CG2 4.36Å |
| 13 | H | 88.1 | Confident | 88.3 | Confident | 89 Ų | 89 | 84.2 Ų | 84.2 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 96.2 | 175.4 | -170.7 | -117.8 | 0 | 0 | 0 | 109.7 | P15 T16 G17 T18 | H13-P15 VanDerWaalsContact C-CD 3.46Å; H13-T16 PolarHBondContact CE1-OG1 3.19Å; H13-T16 VanDerWaalsContact ND1-CB 3.33Å; H13-T16 WeakPolarHBondContact ND1-CB 3.23Å; H13-T16 PolarHBondContact ND1-OG1 2.9Å; H13-T16 PolarHBondContact O-N 2.92Å; H13-G17 WeakPolarHBondContact O-CA 3.45Å; H13-G17 PolarHBondContact O-N 3.09Å; H13-T18 PolarHBondContact N-O 2.92Å |
| 14 | I | 88.7 | Confident | 87.6 | Confident | 86 Ų | 86 | 86.5 Ų | 86.5 | 44% | 0.441 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -45 | -174.3 | -57.5 | 170.3 | 0 | 0 | 0 | 112.7 | M1 W12 T16 L41 | M1-I14 HydrophobicContact CB-CD1 4.3Å; M1-I14 HydrophobicContact CB-CG1 4.42Å; W12-I14 HydrophobicContact CE3-CG1 4.44Å; I14-T16 VanDerWaalsContact C-N 3.29Å; I14-T16 PolarHBondContact O-N 3.41Å; I14-L41 HydrophobicContact CD1-CD1 3.7Å |
| 15 | P | 89.9 | Confident | 86.5 | Confident | 111 Ų | 111 | 83.8 Ų | 83.8 | 72% | 0.721 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30.1 | -177 | -22.9 | 34.4 | 0 | 0 | 0 | 114.4 | H13 | H13-P15 VanDerWaalsContact C-CD 3.46Š|
| 16 | T | 84.7 | Confident | 85 | Confident | 93 Ų | 93 | 89.2 Ų | 89.2 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -9.7 | -175.1 | -43.9 | 0 | 0 | 0 | 0 | 112.2 | H13 I14 T18 | H13-T16 PolarHBondContact CE1-OG1 3.19Å; H13-T16 VanDerWaalsContact ND1-CB 3.33Å; H13-T16 WeakPolarHBondContact ND1-CB 3.23Å; H13-T16 PolarHBondContact ND1-OG1 2.9Å; H13-T16 PolarHBondContact O-N 2.92Å; I14-T16 VanDerWaalsContact C-N 3.29Å; I14-T16 PolarHBondContact O-N 3.41Å; T16-T18 HydrophobicContact CG2-CG2 3.81Å; T16-T18 PolarHBondContact O-N 3.41Å |
| 17 | G | 90.3 | Very high | 83.2 | Confident | 48 Ų | 48 | 86.4 Ų | 86.4 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 11.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H13 | H13-G17 WeakPolarHBondContact O-CA 3.45Å; H13-G17 PolarHBondContact O-N 3.09Å |
| 18 | T | 85.4 | Confident | 81.4 | Confident | 72 Ų | 72 | 86.5 Ų | 86.5 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 143 | -177 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | H13 T16 | H13-T18 PolarHBondContact N-O 2.92Å; T16-T18 HydrophobicContact CG2-CG2 3.81Å; T16-T18 PolarHBondContact O-N 3.41Å |
| 19 | T | 90.2 | Very high | 79.6 | Confident | 95 Ų | 95 | 92.2 Ų | 92.2 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140.5 | 175.1 | 54.1 | 0 | 0 | 0 | 0 | 110.6 | Y11 W12 | Y11-T19 CarbonylContact O-C 3.52Å; Y11-T19 WeakPolarHBondContact O-CA 3.36Å; W12-T19 HydrophobicContact CG-CG2 4.36Å |
| 20 | Q | 87.7 | Confident | 77.6 | Confident | 74 Ų | 74 | 95.1 Ų | 95.1 | 35% | 0.346 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 149.9 | 173.4 | 65.3 | -177 | 76 | 0 | 0 | 110.6 | Y11 E22 | Y11-Q20 PolarHBondContact N-O 3.04Å; Y11-Q20 PolarHBondContact O-N 3.13Å; Q20-E22 WeakPolarHBondContact CG-O 3.33Å; Q20-E22 PolarHBondContact NE2-O 2.78Å |
| 21 | W | 88.7 | Confident | 75.5 | Confident | 160 Ų | 160 | 99.9 Ų | 99.9 | 61% | 0.606 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -89.9 | -29.2 | 178 | -67.3 | 102.5 | 0 | 0 | 0 | 111.5 | | |
| 22 | E | 85.8 | Confident | 73.4 | Confident | 129 Ų | 129 | 101.7 Ų | 101.7 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -79.3 | 147.5 | 178.1 | -59.4 | 82 | 178.9 | 0 | 0 | 111.5 | Y11 Q20 | Y11-E22 VanDerWaalsContact CD2-O 3.26Å; Y11-E22 WeakPolarHBondContact CD2-O 3.34Å; Q20-E22 WeakPolarHBondContact CG-O 3.33Å; Q20-E22 PolarHBondContact NE2-O 2.78Å |
| 23 | P | 81.4 | Confident | 71.2 | Confident | 49 Ų | 49 | 102.1 Ų | 102.1 | 32% | 0.318 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 129.6 | 172.4 | -14.4 | 27.4 | 0 | 0 | 0 | 110.7 | Y11 G25 R26 | Y11-P23 HydrophobicContact CE1-CB 4.42Å; Y11-P23 VanDerWaalsContact CE2-CA 3.49Å; Y11-P23 HydrophobicContact CE2-CB 4.03Å; Y11-P23 HydrophobicContact CE2-CG 4.09Å; P23-G25 PolarHBondContact O-N 2.85Å; P23-R26 PolarHBondContact O-N 2.82Å |
| 24 | P | 72.6 | Confident | 68.9 | Low | 81 Ų | 81 | 103.6 Ų | 103.6 | 53% | 0.526 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | 126.5 | 169 | 24.5 | -30.1 | 0 | 0 | 0 | 108.4 | Y11 | Y11-P24 VanDerWaalsContact CD1-CD 3.48Å; Y11-P24 HydrophobicContact CD1-CG 4.19Å |
| 25 | G | 67.6 | Low | 67.1 | Low | 72 Ų | 72 | 104.2 Ų | 104.2 | 74% | 0.742 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.5 | -0.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | P23 A27 | P23-G25 PolarHBondContact O-N 2.85Å; G25-A27 PolarHBondContact O-N 3.47Å |
| 26 | R | 58.6 | Low | 65 | Low | 210 Ų | 210 | 107.5 Ų | 107.5 | 79% | 0.792 | 65% | 0.651 | S | S | * | * | | | trans | -85 | 19.7 | 170.6 | -149.6 | 177.7 | -173.7 | 179.2 | 2.1 | 114 | P23 S28 | P23-R26 PolarHBondContact O-N 2.82Å; R26-S28 VanDerWaalsContact C-N 3.28Å; R26-S28 PolarHBondContact O-N 3.02Å |
| 27 | A | 51.9 | Low | 63.3 | Low | 84 Ų | 84 | 111.8 Ų | 111.8 | 69% | 0.694 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -73.9 | 82.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G25 | G25-A27 PolarHBondContact O-N 3.47Š|
| 28 | S | 49.5 | Very low | 61.5 | Low | 84 Ų | 84 | 117 Ų | 117 | 59% | 0.587 | 68% | 0.676 | S | S | * | * | | | trans | 60.1 | 137.5 | 173.2 | -60.2 | 0 | 0 | 0 | 0 | 115.7 | R26 S30 | R26-S28 VanDerWaalsContact C-N 3.28Å; R26-S28 PolarHBondContact O-N 3.02Å; S28-S30 PolarHBondContact O-N 2.88Å |
| 29 | P | 51.2 | Low | 60 | Low | 148 Ų | 148 | 118.4 Ų | 118.4 | 96% | 0.961 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 17.2 | 178 | 29.8 | -35.7 | 0 | 0 | 0 | 114.6 | | |
| 30 | S | 47.9 | Very low | 58.3 | Low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -7.6 | -170 | 73 | 0 | 0 | 0 | 0 | 116.4 | S28 | S28-S30 PolarHBondContact O-N 2.88Š|
| 31 | Q | 46.8 | Very low | 56.7 | Low | 172 Ų | 172 | 121.1 Ų | 121.1 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -124.7 | 103.4 | 179.4 | -61.4 | -134.3 | -69.7 | 0 | 0 | 110.9 | S33 | Q31-S33 PolarHBondContact O-N 3.14Å; Q31-S33 VanDerWaalsContact O-N 3.13Å |
| 32 | G | 45.9 | Very low | 54.9 | Low | 82 Ų | 82 | 117.7 Ų | 117.7 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | | | trans | -57.5 | 113 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 33 | S | 42.8 | Very low | 53 | Low | 109 Ų | 109 | 121.8 Ų | 121.8 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | | | trans | -160.5 | 92.4 | 157.2 | -73.4 | 0 | 0 | 0 | 0 | 104.8 | Q31 P35 | Q31-S33 PolarHBondContact O-N 3.14Å; Q31-S33 VanDerWaalsContact O-N 3.13Å; S33-P35 WeakPolarHBondContact O-CD 3.4Å |
| 34 | S | 39.3 | Very low | 51.8 | Low | 120 Ų | 120 | 123.6 Ų | 123.6 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | | | trans | -56.4 | 118.1 | 170.9 | -52.5 | 0 | 0 | 0 | 0 | 107.9 | Q36 | S34-Q36 PolarHBondContact O-N 2.9Š|
| 35 | P | 50.9 | Low | 50.8 | Low | 100 Ų | 100 | 122.5 Ų | 122.5 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | | | trans | -69 | 107.5 | 164 | 27.3 | -27.7 | 0 | 0 | 0 | 105.7 | S33 E37 | S33-P35 WeakPolarHBondContact O-CD 3.4Å; P35-E37 PolarHBondContact O-N 3.3Å |
| 36 | Q | 45 | Very low | 49.7 | Very low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | | | trans | -46.5 | 123.8 | 164.1 | -178.1 | 179.5 | -70.3 | 0 | 0 | 106.7 | S34 E38 | S34-Q36 PolarHBondContact O-N 2.9Å; Q36-E38 VanDerWaalsContact C-N 3.27Å; Q36-E38 PolarHBondContact O-N 3.01Å |
| 37 | E | 49.9 | Very low | 49.2 | Very low | 184 Ų | 184 | 121.8 Ų | 121.8 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | | | trans | -40.8 | 88.7 | 176.6 | -173.7 | 179.5 | 92.1 | 0 | 0 | 110.3 | P35 S39 | P35-E37 PolarHBondContact O-N 3.3Å; E37-S39 PolarHBondContact O-N 2.86Å |
| 38 | E | 52.1 | Low | 48.9 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 73% | 0.729 | 72% | 0.724 | S | S | * | * | | | trans | -73.4 | 121.1 | 174.3 | 62.3 | -179.1 | 95.9 | 0 | 0 | 105.9 | Q36 Q40 | Q36-E38 VanDerWaalsContact C-N 3.27Å; Q36-E38 PolarHBondContact O-N 3.01Å; E38-Q40 PolarHBondContact O-N 2.7Å |
| 39 | S | 53.6 | Low | 48.5 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | | | trans | -47.1 | 115.4 | -174.6 | -50.6 | 0 | 0 | 0 | 0 | 109.1 | E37 L41 | E37-S39 PolarHBondContact O-N 2.86Å; S39-L41 PolarHBondContact O-N 2.82Å |
| 40 | Q | 54.2 | Low | 48.3 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 51% | 0.505 | 72% | 0.721 | S | S | . | * | | | trans | -53.1 | 106 | 174.2 | -64.8 | -82.2 | 20.8 | 0 | 0 | 106.9 | E38 T42 | E38-Q40 PolarHBondContact O-N 2.7Å; Q40-T42 HydrophobicContact CB-CG2 4.35Å; Q40-T42 PolarHBondContact O-N 3.19Å |
| 41 | L | 56 | Low | 48.6 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 62% | 0.618 | 73% | 0.726 | S | S | * | * | | | trans | -68.1 | 84.8 | 169.7 | -64.7 | 169.2 | 0 | 0 | 0 | 106.1 | I14 S39 W43 | I14-L41 HydrophobicContact CD1-CD1 3.7Å; S39-L41 PolarHBondContact O-N 2.82Å; L41-W43 PolarHBondContact O-N 3.28Å |
| 42 | T | 50.3 | Low | 48.3 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 54% | 0.54 | 73% | 0.727 | S | S | . | * | | | trans | -73 | 122.3 | 175.7 | 40.5 | 0 | 0 | 0 | 0 | 107.9 | Q40 T44 G45 | Q40-T42 HydrophobicContact CB-CG2 4.35Å; Q40-T42 PolarHBondContact O-N 3.19Å; T42-T44 VanDerWaalsContact CB-OG1 3.3Å; T42-T44 WeakPolarHBondContact CB-OG1 3.4Å; T42-T44 PolarHBondContact O-N 3.21Å; T42-G45 PolarHBondContact O-N 3.01Å |
| 43 | W | 46.1 | Very low | 48.2 | Very low | 214 Ų | 214 | 133.9 Ų | 133.9 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -52.5 | -16.6 | 171.6 | 175.9 | -96.2 | 0 | 0 | 0 | 113 | L41 G45 | L41-W43 PolarHBondContact O-N 3.28Å; W43-G45 PolarHBondContact O-N 3.17Å |
| 44 | T | 56.3 | Low | 48.5 | Very low | 87 Ų | 87 | 138 Ų | 138 | 53% | 0.534 | 73% | 0.729 | S | S | . | * | G | 310 helix | trans | -73.7 | 1.6 | 172.3 | 58.8 | 0 | 0 | 0 | 0 | 114.8 | T42 F46 A47 | T42-T44 VanDerWaalsContact CB-OG1 3.3Å; T42-T44 WeakPolarHBondContact CB-OG1 3.4Å; T42-T44 PolarHBondContact O-N 3.21Å; T44-F46 PolarHBondContact O-N 3Å; T44-F46 VanDerWaalsContact O-N 3.13Å; T44-A47 PolarHBondContact O-N 3.02Å |
| 45 | G | 50.8 | Low | 49.2 | Very low | 59 Ų | 59 | 135.8 Ų | 135.8 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -60.5 | -18.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T42 W43 | T42-G45 PolarHBondContact O-N 3.01Å; W43-G45 PolarHBondContact O-N 3.17Å |
| 46 | F | 45 | Very low | 49.2 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -92.4 | -7.8 | 173.1 | -58.8 | -75.4 | 0 | 0 | 0 | 113.9 | T44 | T44-F46 PolarHBondContact O-N 3Å; T44-F46 VanDerWaalsContact O-N 3.13Å |
| 47 | A | 46.8 | Very low | 49.6 | Very low | 81 Ų | 81 | 137.5 Ų | 137.5 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -104.9 | 5.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T44 | T44-A47 PolarHBondContact O-N 3.02Š|
| 48 | H | 46.4 | Very low | 50 | Low | 180 Ų | 180 | 139.7 Ų | 139.7 | 83% | 0.833 | 72% | 0.723 | S | S | * | * | | | trans | -103.3 | 62 | 174.6 | -151.9 | 95.6 | 0 | 0 | 0 | 110.6 | | |
| 49 | Q | 41.1 | Very low | 50.1 | Low | 157 Ų | 157 | 141 Ų | 141 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -142.4 | 128.9 | 149.2 | -153.5 | -160.6 | -23.9 | 0 | 0 | 109 | | |
| 50 | E | 48.3 | Very low | 49.8 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | | | trans | 73.4 | 110.3 | 165.6 | -134.9 | 78.3 | -144.3 | 0 | 0 | 115.5 | | |
| 51 | G | 52.9 | Low | 49.4 | Very low | 76 Ų | 76 | 145.9 Ų | 145.9 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | | | trans | -67.3 | 140.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 52 | F | 39.8 | Very low | 49.1 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | | | trans | -165.1 | 135.2 | 137.6 | 73.4 | -77.7 | 0 | 0 | 0 | 109.7 | | |
| 53 | E | 45.8 | Very low | 49.1 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | 53.5 | 97.5 | 151 | -47.7 | -152.1 | 130.3 | 0 | 0 | 120.1 | | |
| 54 | E | 47.5 | Very low | 49.2 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -24.8 | 121.1 | 141.3 | -176 | 173.1 | -156.4 | 0 | 0 | 114.8 | | |
| 55 | G | 54.1 | Low | 48.7 | Very low | 74 Ų | 74 | 148 Ų | 148 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 97.1 | 27 | 133.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 56 | E | 51 | Low | 48.3 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | -127.7 | -5.1 | -174.3 | -49.1 | -169 | 143.8 | 0 | 0 | 116.7 | W58 K59 | E56-W58 VanDerWaalsContact C-N 3.29Å; E56-W58 PolarHBondContact O-N 2.77Å; E56-K59 PolarHBondContact O-N 2.86Å |
| 57 | F | 53.2 | Low | 48.6 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -25.4 | -169.4 | -175.3 | -109.4 | 0 | 0 | 0 | 115 | | |
| 58 | W | 58.3 | Low | 48.5 | Very low | 230 Ų | 230 | 149 Ų | 149 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 7.9 | -174 | -42.4 | 104.6 | 0 | 0 | 0 | 113.9 | E56 | E56-W58 VanDerWaalsContact C-N 3.29Å; E56-W58 PolarHBondContact O-N 2.77Å |
| 59 | K | 54.8 | Low | 48.7 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | -120.3 | 72 | -176.4 | -162.7 | -179.1 | 168.3 | -168.2 | 0 | 110.6 | E56 | E56-K59 PolarHBondContact O-N 2.86Š|
| 60 | D | 46.5 | Very low | 48.9 | Very low | 147 Ų | 147 | 149.2 Ų | 149.2 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -114.9 | 94.1 | 152.5 | -156.8 | -103.4 | 0 | 0 | 0 | 107.4 | P62 | D60-P62 WeakPolarHBondContact O-CD 3.36Š|
| 61 | E | 47.4 | Very low | 48.5 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | -95.2 | 105.4 | 158.4 | 173.1 | -178.8 | 76.6 | 0 | 0 | 106.2 | S63 | E61-S63 VanDerWaalsContact C-N 3.31Å; E61-S63 PolarHBondContact O-N 2.77Å |
| 62 | P | 48.1 | Very low | 48.4 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | trans | -80.4 | 91.9 | 154.6 | 28.6 | -27.7 | 0 | 0 | 0 | 107.5 | D60 | D60-P62 WeakPolarHBondContact O-CD 3.36Š|
| 63 | S | 50.6 | Low | 48.7 | Very low | 93 Ų | 93 | 149.4 Ų | 149.4 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | | | trans | -51.6 | 138 | 148.7 | 173.2 | 0 | 0 | 0 | 0 | 108.8 | E61 | E61-S63 VanDerWaalsContact C-N 3.31Å; E61-S63 PolarHBondContact O-N 2.77Å |
| 64 | E | 49.2 | Very low | 48.4 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | 111 | 114.2 | 156.2 | -158.4 | 157.9 | 94.3 | 0 | 0 | 117.8 | | |
| 65 | E | 46.3 | Very low | 48.5 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | 81 | 94.3 | 139 | -164.7 | 169.8 | 106.4 | 0 | 0 | 120.3 | | |
| 66 | A | 40.6 | Very low | 48.3 | Very low | 71 Ų | 71 | 148.7 Ų | 148.7 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | | | | 170.2 | 129.5 | 106.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M68 | A66-M68 VanDerWaalsContact C-N 3.33Å; A66-M68 PolarHBondContact O-N 2.87Å |
| 67 | P | 51.7 | Low | 48.4 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -76.7 | 88.2 | 161.4 | 31.5 | -28.7 | 0 | 0 | 0 | 108.1 | E69 | P67-E69 VanDerWaalsContact C-N 3.27Å; P67-E69 PolarHBondContact O-N 3.12Å |
| 68 | M | 45.4 | Very low | 48.1 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | | | trans | -76.3 | 88 | 167.3 | 43.4 | -169.7 | -70.1 | 0 | 0 | 109.3 | A66 L70 | A66-M68 VanDerWaalsContact C-N 3.33Å; A66-M68 PolarHBondContact O-N 2.87Å; M68-L70 VanDerWaalsContact C-N 3.34Å; M68-L70 HydrophobicContact CE-CD1 4.06Å; M68-L70 PolarHBondContact O-N 2.83Å |
| 69 | E | 50.5 | Low | 47.6 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | | | trans | -43.7 | 95.6 | 154.7 | -72.8 | -99.8 | 102.1 | 0 | 0 | 109.5 | P67 | P67-E69 VanDerWaalsContact C-N 3.27Å; P67-E69 PolarHBondContact O-N 3.12Å |
| 70 | L | 45.9 | Very low | 47.6 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | | | trans | -112.2 | 75.2 | 170.6 | -136.2 | 110.8 | 0 | 0 | 0 | 109.6 | M68 | M68-L70 VanDerWaalsContact C-N 3.34Å; M68-L70 HydrophobicContact CE-CD1 4.06Å; M68-L70 PolarHBondContact O-N 2.83Å |
| 71 | G | 39.8 | Very low | 47.8 | Very low | 55 Ų | 55 | 136.3 Ų | 136.3 | 57% | 0.567 | 76% | 0.755 | S | S | * | * | | | trans | 54.9 | 97.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | K73 | G71-K73 WeakPolarHBondContact O-CG 3.38Å; G71-K73 PolarHBondContact O-N 2.89Å |
| 72 | L | 49.6 | Very low | 47.9 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 98% | 0.984 | 75% | 0.754 | S | S | * | * | | | trans | -50.1 | 110 | 141.5 | -95.9 | 89.1 | 0 | 0 | 0 | 108.7 | | |
| 73 | K | 45.8 | Very low | 47.8 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | -138.1 | 96.4 | 162.6 | 27.1 | 161.4 | 63.2 | -98.6 | 0 | 107.5 | G71 | G71-K73 WeakPolarHBondContact O-CG 3.38Å; G71-K73 PolarHBondContact O-N 2.89Å |
| 74 | D | 39.1 | Very low | 47.9 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | | | trans | 42.1 | 126.2 | 150.6 | -141.9 | -99.4 | 0 | 0 | 0 | 120.4 | E76 | D74-E76 VanDerWaalsContact C-N 3.25Å; D74-E76 PolarHBondContact O-N 2.94Å; D74-E76 VanDerWaalsContact O-N 3.09Å; D74-E76 PolarHBondContact OD1-N 3.11Å |
| 75 | P | 51.3 | Low | 47.9 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -80.6 | 72.8 | 163 | 35.2 | -32.1 | 0 | 0 | 0 | 109.8 | E77 | P75-E77 PolarHBondContact O-N 2.87Š|
| 76 | E | 48.9 | Very low | 48.3 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | trans | -75.5 | 122.9 | 169.9 | 58.9 | -173.5 | 107.2 | 0 | 0 | 109.8 | D74 A78 | D74-E76 VanDerWaalsContact C-N 3.25Å; D74-E76 PolarHBondContact O-N 2.94Å; D74-E76 VanDerWaalsContact O-N 3.09Å; D74-E76 PolarHBondContact OD1-N 3.11Å; E76-A78 PolarHBondContact O-N 2.92Å |
| 77 | E | 53.8 | Low | 48.6 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | -49.1 | 94.9 | -177.7 | -70.3 | 171.6 | 45.2 | 0 | 0 | 113.3 | P75 T79 | P75-E77 PolarHBondContact O-N 2.87Å; E77-T79 VanDerWaalsContact C-N 3.27Å; E77-T79 PolarHBondContact O-N 2.83Å |
| 78 | A | 45.6 | Very low | 48.4 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | | | trans | -85.9 | 76.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | E76 L80 | E76-A78 PolarHBondContact O-N 2.92Å; A78-L80 PolarHBondContact O-N 2.99Å |
| 79 | T | 48.9 | Very low | 48.5 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | trans | -61.3 | 88.7 | 161.3 | -68.3 | 0 | 0 | 0 | 0 | 107.8 | E77 S81 | E77-T79 VanDerWaalsContact C-N 3.27Å; E77-T79 PolarHBondContact O-N 2.83Å; T79-S81 VanDerWaalsContact C-N 3.29Å; T79-S81 PolarHBondContact O-N 3.02Å |
| 80 | L | 53.7 | Low | 48.2 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | | | trans | -73.4 | 91.5 | 164.5 | -67.6 | -178 | 0 | 0 | 0 | 107.2 | A78 F82 | A78-L80 PolarHBondContact O-N 2.99Å; L80-F82 VanDerWaalsContact C-N 3.29Å; L80-F82 VanDerWaalsContact O-CD2 3.3Å; L80-F82 WeakPolarHBondContact O-CD2 3.22Å; L80-F82 PolarHBondContact O-N 2.95Å |
| 81 | S | 50.7 | Low | 48.3 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | trans | -62.8 | 93.2 | 166.5 | 177.8 | 0 | 0 | 0 | 0 | 108.3 | T79 P83 | T79-S81 VanDerWaalsContact C-N 3.29Å; T79-S81 PolarHBondContact O-N 3.02Å; S81-P83 WeakPolarHBondContact O-CD 3.26Å |
| 82 | F | 49.3 | Very low | 48.2 | Very low | 176 Ų | 176 | 135 Ų | 135 | 77% | 0.772 | 77% | 0.766 | S | S | * | * | | | trans | -57.4 | 122.3 | 171.4 | -68.9 | -84.7 | 0 | 0 | 0 | 109.2 | L80 A84 | L80-F82 VanDerWaalsContact C-N 3.29Å; L80-F82 VanDerWaalsContact O-CD2 3.3Å; L80-F82 WeakPolarHBondContact O-CD2 3.22Å; L80-F82 PolarHBondContact O-N 2.95Å; F82-A84 PolarHBondContact O-N 2.99Å; F82-A84 VanDerWaalsContact O-N 3.14Å |
| 83 | P | 47.1 | Very low | 48 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | | | trans | -68.1 | 113.9 | 167.2 | 26.4 | -29.6 | 0 | 0 | 0 | 107.8 | S81 Q85 | S81-P83 WeakPolarHBondContact O-CD 3.26Å; P83-Q85 VanDerWaalsContact C-N 3.33Å; P83-Q85 PolarHBondContact O-N 3.24Å |
| 84 | A | 52.4 | Low | 48 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | | | trans | -64.5 | 94.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | F82 S86 | F82-A84 PolarHBondContact O-N 2.99Å; F82-A84 VanDerWaalsContact O-N 3.14Å; A84-S86 VanDerWaalsContact C-N 3.34Å; A84-S86 PolarHBondContact O-N 2.72Å |
| 85 | Q | 49.7 | Very low | 48.6 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -72.7 | 96.2 | 169.3 | -63.4 | -173.8 | 72.8 | 0 | 0 | 107.2 | P83 L87 | P83-Q85 VanDerWaalsContact C-N 3.33Å; P83-Q85 PolarHBondContact O-N 3.24Å; Q85-L87 PolarHBondContact O-N 2.83Å |
| 86 | S | 53.7 | Low | 48.7 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | trans | -62.3 | 98.3 | 166 | -178.8 | 0 | 0 | 0 | 0 | 108 | A84 | A84-S86 VanDerWaalsContact C-N 3.34Å; A84-S86 PolarHBondContact O-N 2.72Å |
| 87 | L | 46.6 | Very low | 48.7 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | -112.4 | 94.3 | 167.7 | -65.4 | 178 | 0 | 0 | 0 | 107.1 | Q85 | Q85-L87 PolarHBondContact O-N 2.83Š|
| 88 | S | 48.6 | Very low | 48.2 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -47.3 | 125.1 | 161.4 | -179 | 0 | 0 | 0 | 0 | 108.9 | E90 | S88-E90 PolarHBondContact O-N 3.5Š|
| 89 | P | 47.1 | Very low | 48.5 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | trans | -73.8 | 96.9 | 171.6 | 29.1 | -30.5 | 0 | 0 | 0 | 108.1 | P91 | P89-P91 WeakPolarHBondContact O-CD 3.4Š|
| 90 | E | 43.5 | Very low | 48.5 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | -60.8 | 119.7 | 157.7 | -176.1 | 111 | 74.9 | 0 | 0 | 107.3 | S88 V92 | S88-E90 PolarHBondContact O-N 3.5Å; E90-V92 PolarHBondContact O-N 3.13Å |
| 91 | P | 48 | Very low | 48.4 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | trans | -74.1 | 100.5 | 179.1 | 28.7 | -31.2 | 0 | 0 | 0 | 109.2 | P89 | P89-P91 WeakPolarHBondContact O-CD 3.4Š|
| 92 | V | 39.7 | Very low | 48.5 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -57.5 | 130.4 | 161.5 | -94.1 | 0 | 0 | 0 | 0 | 109.1 | E90 Q94 | E90-V92 PolarHBondContact O-N 3.13Å; V92-Q94 PolarHBondContact O-N 3.32Å |
| 93 | P | 45.3 | Very low | 49 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | trans | -71.1 | 97.5 | 176.2 | 27.7 | -30.4 | 0 | 0 | 0 | 108.7 | E95 | P93-E95 PolarHBondContact O-N 3.25Š|
| 94 | Q | 44.3 | Very low | 49.6 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -76.9 | 76.2 | 165 | -167.4 | 179.5 | -47.8 | 0 | 0 | 107.5 | V92 | V92-Q94 PolarHBondContact O-N 3.32Š|
| 95 | E | 52.9 | Low | 50.2 | Low | 152 Ų | 152 | 142.2 Ų | 142.2 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | | | trans | -59.5 | 146 | 151.4 | 57.8 | -164.8 | 87.2 | 0 | 0 | 108.1 | P93 | P93-E95 PolarHBondContact O-N 3.25Š|
| 96 | E | 52.5 | Low | 51 | Low | 160 Ų | 160 | 141.4 Ų | 141.4 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 57.6 | 104.4 | -172.9 | 79.2 | -153.8 | 69.6 | 0 | 0 | 114.8 | | |
| 97 | E | 48.8 | Very low | 51.9 | Low | 159 Ų | 159 | 139.5 Ų | 139.5 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | | -157.9 | 96.2 | 65.7 | 3.8 | 168.8 | 87.7 | 0 | 0 | 109.2 | L99 | E97-L99 PolarHBondContact O-N 3.48Š|
| 98 | K | 44.7 | Very low | 53.3 | Low | 207 Ų | 207 | 137 Ų | 137 | 90% | 0.9 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 53.6 | 173.1 | -174.9 | -179.5 | 166.6 | -76 | 0 | 111.7 | | |
| 99 | L | 50 | Low | 54.7 | Low | 151 Ų | 151 | 140 Ų | 140 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | -17.1 | 178.1 | -70.5 | 177.8 | 0 | 0 | 0 | 115 | E97 Q101 | E97-L99 PolarHBondContact O-N 3.48Å; L99-Q101 PolarHBondContact O-N 2.82Å |
| 100 | S | 49.9 | Very low | 56.4 | Low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -10.2 | -177.1 | -164.4 | 0 | 0 | 0 | 0 | 115.4 | R102 | S100-R102 VanDerWaalsContact C-N 3.35Š|
| 101 | Q | 51.7 | Low | 58.2 | Low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 5.7 | -179.3 | -80.8 | -178.8 | 0.7 | 0 | 0 | 114.3 | L99 N103 | L99-Q101 PolarHBondContact O-N 2.82Å; Q101-N103 VanDerWaalsContact C-N 3.31Å; Q101-N103 PolarHBondContact O-N 2.92Å |
| 102 | R | 52.8 | Low | 59.9 | Low | 233 Ų | 233 | 138.3 Ų | 138.3 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 23.8 | -177.7 | -157.1 | -175.9 | 138.9 | 140.7 | -5.2 | 114 | S100 | S100-R102 VanDerWaalsContact C-N 3.35Š|
| 103 | N | 59.2 | Low | 61.9 | Low | 106 Ų | 106 | 138.8 Ų | 138.8 | 57% | 0.567 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.2 | 55.1 | 167.4 | -143.1 | -60.4 | 0 | 0 | 0 | 112 | Q101 N105 | Q101-N103 VanDerWaalsContact C-N 3.31Å; Q101-N103 PolarHBondContact O-N 2.92Å; N103-N105 PolarHBondContact O-N 3.23Å; N103-N105 PolarHBondContact OD1-ND2 2.96Å |
| 104 | A | 60.1 | Low | 63.8 | Low | 94 Ų | 94 | 143.6 Ų | 143.6 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | | | trans | -76.2 | 69.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 105 | N | 65.9 | Low | 65.7 | Low | 95 Ų | 95 | 141.5 Ų | 141.5 | 51% | 0.508 | 76% | 0.761 | S | S | . | * | | | trans | -71.4 | 125 | 158.1 | -108.1 | -79.9 | 0 | 0 | 0 | 107 | N103 G107 I108 | N103-N105 PolarHBondContact O-N 3.23Å; N103-N105 PolarHBondContact OD1-ND2 2.96Å; N105-G107 PolarHBondContact O-N 3.36Å; N105-I108 HydrophobicContact CB-CB 4.47Å; N105-I108 HydrophobicContact CB-CD1 3.42Å; N105-I108 VanDerWaalsContact CB-CD1 3.42Å; N105-I108 HydrophobicContact CB-CG1 3.63Å; N105-I108 PolarHBondContact O-N 3.04Å |
| 106 | P | 64.9 | Low | 67 | Low | 142 Ų | 142 | 142 Ų | 142 | 92% | 0.922 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 2 | -175.1 | 24.1 | -32.7 | 0 | 0 | 0 | 114.8 | | |
| 107 | G | 74.2 | Confident | 68.6 | Low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 0.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N105 | N105-G107 PolarHBondContact O-N 3.36Š|
| 108 | I | 74.4 | Confident | 70.2 | Confident | 98 Ų | 98 | 142.1 Ų | 142.1 | 50% | 0.503 | 77% | 0.774 | S | S | . | * | | | trans | -107.1 | 117.8 | -175.5 | -48 | 175 | 0 | 0 | 0 | 109.7 | N105 | N105-I108 HydrophobicContact CB-CB 4.47Å; N105-I108 HydrophobicContact CB-CD1 3.42Å; N105-I108 VanDerWaalsContact CB-CD1 3.42Å; N105-I108 HydrophobicContact CB-CG1 3.63Å; N105-I108 PolarHBondContact O-N 3.04Å |
| 109 | K | 77.9 | Confident | 71.3 | Confident | 162 Ų | 162 | 139.2 Ų | 139.2 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | | | trans | -93.2 | 105.1 | 176.5 | -165.6 | 175.1 | 175.5 | -163.4 | 0 | 109.1 | F111 | K109-F111 HydrophobicContact CB-CE2 4.15Å; K109-F111 HydrophobicContact CB-CZ 4.44Å; K109-F111 HydrophobicContact CD-CE1 4Å; K109-F111 HydrophobicContact CD-CE2 3.88Å; K109-F111 HydrophobicContact CD-CZ 3.33Å; K109-F111 HydrophobicContact CG-CD2 4.45Å; K109-F111 HydrophobicContact CG-CE1 4.17Å; K109-F111 HydrophobicContact CG-CE2 3.7Å; K109-F111 HydrophobicContact CG-CZ 3.58Å |
| 110 | C | 83.1 | Confident | 71.8 | Confident | 108 Ų | 108 | 144.4 Ų | 144.4 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | trans | -87.5 | 141.6 | 173.4 | -61 | 0 | 0 | 0 | 0 | 109.9 | | |
| 111 | F | 81.8 | Confident | 72.9 | Confident | 143 Ų | 143 | 145.8 Ų | 145.8 | 63% | 0.627 | 79% | 0.792 | S | S | * | * | | | trans | -126.6 | 140.2 | 173.1 | -56.3 | -94.8 | 0 | 0 | 0 | 108.5 | K109 V113 | K109-F111 HydrophobicContact CB-CE2 4.15Å; K109-F111 HydrophobicContact CB-CZ 4.44Å; K109-F111 HydrophobicContact CD-CE1 4Å; K109-F111 HydrophobicContact CD-CE2 3.88Å; K109-F111 HydrophobicContact CD-CZ 3.33Å; K109-F111 HydrophobicContact CG-CD2 4.45Å; K109-F111 HydrophobicContact CG-CE1 4.17Å; K109-F111 HydrophobicContact CG-CE2 3.7Å; K109-F111 HydrophobicContact CG-CZ 3.58Å; F111-V113 PolarHBondContact O-N 2.85Å |
| 112 | A | 83.4 | Confident | 74 | Confident | 112 Ų | 112 | 143.5 Ų | 143.5 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | | | trans | -71.4 | 128.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 113 | V | 83 | Confident | 75.2 | Confident | 138 Ų | 138 | 138.6 Ų | 138.6 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | -113.9 | 137 | 173.5 | -177.7 | 0 | 0 | 0 | 0 | 108 | F111 | F111-V113 PolarHBondContact O-N 2.85Š|
| 114 | R | 84.1 | Confident | 76.2 | Confident | 211 Ų | 211 | 140.5 Ų | 140.5 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | -104.1 | 132.2 | 172.6 | 62.4 | 178 | 68.2 | -138.9 | 0.9 | 109.4 | | |
| 115 | S | 83.6 | Confident | 77.2 | Confident | 119 Ų | 119 | 143.4 Ų | 143.4 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -72.4 | 139 | 169.7 | 34.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 116 | L | 81.9 | Confident | 77.9 | Confident | 163 Ų | 163 | 146.6 Ų | 146.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | -95.7 | 5.1 | -177.6 | -65.4 | 177.1 | 0 | 0 | 0 | 114 | | |
| 117 | G | 84.9 | Confident | 78.8 | Confident | 61 Ų | 61 | 146.9 Ų | 146.9 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | | | trans | 73.3 | 170.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 118 | W | 82.6 | Confident | 79.2 | Confident | 260 Ų | 260 | 152.4 Ų | 152.4 | 99% | 0.985 | 81% | 0.809 | S | S | * | * | | | trans | -104.9 | 147.7 | 171.7 | -57.7 | 99.4 | 0 | 0 | 0 | 109.1 | | |
| 119 | V | 68.4 | Low | 79.6 | Confident | 146 Ų | 146 | 156.9 Ų | 156.9 | 89% | 0.885 | 84% | 0.835 | S | S | * | * | | | trans | -88.1 | 138.1 | 171.6 | 65.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 120 | E | 60.5 | Low | 79.8 | Confident | 260 Ų | 260 | 156.5 Ų | 156.5 | 100% | 1.215 | 85% | 0.847 | S | S | * | * | | | trans | -82.6 | 0 | 178.6 | -175.5 | 172.2 | 76.8 | 0 | 0 | 112.2 | | |