| 1 | M | 65.2 | Low | 73 | Confident | 207 Ų | 207 | 109.8 Ų | 109.8 | 100% | 1.02 | 63% | 0.629 | S | S | * | * | | | | 0 | 116.7 | 0 | -68.1 | 173.9 | 174.3 | 0 | 0 | 107.5 | A16 | M1-A16 WeakPolarHBondContact O-CB 3.48Š|
| 2 | T | 69.8 | Low | 73.1 | Confident | 98 Ų | 98 | 113.7 Ų | 113.7 | 60% | 0.601 | 63% | 0.626 | S | S | * | * | | | trans | -109.4 | 127.8 | -178.7 | -58 | 0 | 0 | 0 | 0 | 107.3 | V13 | T2-V13 HydrophobicContact CG2-CG1 3.1Š|
| 3 | R | 70.3 | Confident | 73.3 | Confident | 155 Ų | 155 | 112 Ų | 112 | 59% | 0.585 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 123 | 178.8 | -167.5 | 173.1 | 168.3 | 153.2 | -4.4 | 108.4 | L14 L19 | R3-L14 PolarHBondContact N-O 3.16Å; R3-L14 PolarHBondContact O-N 3.25Å; R3-L19 HydrophobicContact CB-CD1 3.67Å; R3-L19 HydrophobicContact CB-CD2 3.72Å; R3-L19 HydrophobicContact CB-CG 4.28Å; R3-L19 HydrophobicContact CG-CD2 4.38Å |
| 4 | A | 75 | Confident | 73.4 | Confident | 66 Ų | 66 | 107.3 Ų | 107.3 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | T11 R12 | A4-T11 HydrophobicContact CB-CG2 3.91Å; A4-R12 WeakPolarHBondContact CA-O 3.49Å |
| 5 | T | 71.5 | Confident | 73.4 | Confident | 42 Ų | 42 | 105.6 Ų | 105.6 | 26% | 0.258 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.6 | 173 | 56.4 | 0 | 0 | 0 | 0 | 108.2 | R12 L14 | T5-R12 PolarHBondContact N-O 2.95Å; T5-R12 PolarHBondContact O-N 3.33Å; T5-R12 PolarHBondContact OG1-O 3.24Å; T5-L14 HydrophobicContact CG2-CD1 3.97Å |
| 6 | T | 74 | Confident | 73.4 | Confident | 105 Ų | 105 | 101.9 Ų | 101.9 | 64% | 0.644 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.6 | 173.4 | 48.4 | 0 | 0 | 0 | 0 | 109.2 | E10 T11 | T6-E10 CarbonylContact C-O 3.58Å; T6-E10 VanDerWaalsContact CA-O 3.28Å; T6-E10 WeakPolarHBondContact CA-O 3.28Å; T6-T11 HydrophobicContact CG2-CG2 4.43Å |
| 7 | V | 75.6 | Confident | 73.5 | Confident | 75 Ų | 75 | 107.2 Ų | 107.2 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.6 | 173.8 | -174.9 | 0 | 0 | 0 | 0 | 106.6 | G9 E10 | V7-G9 PolarHBondContact O-N 3.02Å; V7-E10 PolarHBondContact N-O 3.08Å; V7-E10 WeakPolarHBondContact O-CB 3.49Å; V7-E10 PolarHBondContact O-N 2.84Å |
| 8 | N | 71.5 | Confident | 73.6 | Confident | 161 Ų | 161 | 105.9 Ų | 105.9 | 86% | 0.861 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.1 | 30.5 | -176.7 | -63.1 | -27.9 | 0 | 0 | 0 | 115.3 | E10 | N8-E10 VanDerWaalsContact C-N 3.25Å; N8-E10 PolarHBondContact O-N 2.93Å |
| 9 | G | 79.1 | Confident | 73.6 | Confident | 74 Ų | 74 | 101.5 Ų | 101.5 | 76% | 0.763 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.8 | -3.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V7 | V7-G9 PolarHBondContact O-N 3.02Š|
| 10 | E | 73.9 | Confident | 73.5 | Confident | 133 Ų | 133 | 100.9 Ų | 100.9 | 62% | 0.621 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 123.8 | 173.8 | -61.3 | -175 | 125.1 | 0 | 0 | 110.7 | T6 V7 N8 R12 | T6-E10 CarbonylContact C-O 3.58Å; T6-E10 VanDerWaalsContact CA-O 3.28Å; T6-E10 WeakPolarHBondContact CA-O 3.28Å; V7-E10 PolarHBondContact N-O 3.08Å; V7-E10 WeakPolarHBondContact O-CB 3.49Å; V7-E10 PolarHBondContact O-N 2.84Å; N8-E10 VanDerWaalsContact C-N 3.25Å; N8-E10 PolarHBondContact O-N 2.93Å; E10-R12 PolarHBondContact O-N 3.2Å |
| 11 | T | 77.3 | Confident | 73.5 | Confident | 92 Ų | 92 | 100.9 Ų | 100.9 | 56% | 0.564 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 105.8 | 173.9 | -54.7 | 0 | 0 | 0 | 0 | 109.7 | A4 T6 | A4-T11 HydrophobicContact CB-CG2 3.91Å; T6-T11 HydrophobicContact CG2-CG2 4.43Å |
| 12 | R | 73.4 | Confident | 73.7 | Confident | 156 Ų | 156 | 98.5 Ų | 98.5 | 59% | 0.589 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.5 | 174 | -57.2 | -176.6 | 79.4 | -167.8 | 5.7 | 109.6 | A4 T5 E10 | A4-R12 WeakPolarHBondContact CA-O 3.49Å; T5-R12 PolarHBondContact N-O 2.95Å; T5-R12 PolarHBondContact O-N 3.33Å; T5-R12 PolarHBondContact OG1-O 3.24Å; E10-R12 PolarHBondContact O-N 3.2Å |
| 13 | V | 76.1 | Confident | 73.6 | Confident | 92 Ų | 92 | 99.3 Ų | 99.3 | 56% | 0.558 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 110.1 | 178.8 | -179 | 0 | 0 | 0 | 0 | 108.2 | T2 | T2-V13 HydrophobicContact CG2-CG1 3.1Å |
| 14 | L | 75.3 | Confident | 73.1 | Confident | 46 Ų | 46 | 95.3 Ų | 95.3 | 24% | 0.241 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 116.2 | 175.7 | -60.4 | 178 | 0 | 0 | 0 | 109.1 | R3 T5 L18 L19 | R3-L14 PolarHBondContact N-O 3.16Å; R3-L14 PolarHBondContact O-N 3.25Å; T5-L14 HydrophobicContact CG2-CD1 3.97Å; L14-L18 HydrophobicContact CD2-CD1 4.27Å; L14-L19 HydrophobicContact CB-CD1 4.27Å; L14-L19 HydrophobicContact CB-CG 4.16Å; L14-L19 WeakPolarHBondContact O-CD1 3.46Å |
| 15 | C | 72.3 | Confident | 72.1 | Confident | 82 Ų | 82 | 97.8 Ų | 97.8 | 55% | 0.554 | 54% | 0.542 | S | S | * | . | | | trans | -62.2 | 151.8 | 170.9 | -73.2 | 0 | 0 | 0 | 0 | 110.6 | W17 L18 L19 | C15-W17 PolarHBondContact O-N 3.41Å; C15-L18 PolarHBondContact O-N 3.04Å; C15-L19 PolarHBondContact O-N 3.19Å |
| 16 | A | 74.7 | Confident | 71.4 | Confident | 46 Ų | 46 | 101.9 Ų | 101.9 | 38% | 0.38 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -49.3 | -36 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 L19 C20 | M1-A16 WeakPolarHBondContact O-CB 3.48Å; A16-L19 WeakPolarHBondContact O-CB 3.4Å; A16-L19 PolarHBondContact O-N 3.43Å; A16-C20 PolarHBondContact O-N 3.33Å; A16-C20 PolarHBondContact O-SG 3.31Å |
| 17 | W | 74.8 | Confident | 70.6 | Confident | 192 Ų | 192 | 102.8 Ų | 102.8 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.5 | -41.8 | 178.8 | -175.3 | 63 | 0 | 0 | 0 | 113.8 | C15 L19 C20 L21 | C15-W17 PolarHBondContact O-N 3.41Å; W17-L19 VanDerWaalsContact C-N 3.33Å; W17-C20 WeakPolarHBondContact O-CB 3.47Å; W17-C20 PolarHBondContact O-N 2.95Å; W17-L21 HydrophobicContact CD2-CD1 3.95Å; W17-L21 HydrophobicContact CE3-CD1 4.21Å; W17-L21 HydrophobicContact CH2-CD1 4.07Å; W17-L21 HydrophobicContact CZ2-CD1 3.8Å; W17-L21 HydrophobicContact CZ3-CD1 4.26Å; W17-L21 PolarHBondContact O-N 2.97Å; W17-L21 VanDerWaalsContact O-N 3.09Å |
| 18 | L | 75.3 | Confident | 69.7 | Low | 84 Ų | 84 | 105 Ų | 105 | 44% | 0.44 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.1 | -37 | 176.1 | -79.9 | 160.6 | 0 | 0 | 0 | 111.5 | L14 C15 C20 L21 H22 | L14-L18 HydrophobicContact CD2-CD1 4.27Å; C15-L18 PolarHBondContact O-N 3.04Å; L18-C20 VanDerWaalsContact C-N 3.34Å; L18-L21 PolarHBondContact O-N 3.1Å; L18-H22 WeakPolarHBondContact O-CB 3.46Å; L18-H22 PolarHBondContact O-N 3.09Å |
| 19 | L | 73.4 | Confident | 68.8 | Low | 22 Ų | 22 | 102 Ų | 102 | 12% | 0.115 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -61.5 | -44.7 | 172.4 | -76.1 | 148.8 | 0 | 0 | 0 | 110.6 | R3 L14 C15 A16 W17 L21 H22 H23 | R3-L19 HydrophobicContact CB-CD1 3.67Å; R3-L19 HydrophobicContact CB-CD2 3.72Å; R3-L19 HydrophobicContact CB-CG 4.28Å; R3-L19 HydrophobicContact CG-CD2 4.38Å; L14-L19 HydrophobicContact CB-CD1 4.27Å; L14-L19 HydrophobicContact CB-CG 4.16Å; L14-L19 WeakPolarHBondContact O-CD1 3.46Å; C15-L19 PolarHBondContact O-N 3.19Å; A16-L19 WeakPolarHBondContact O-CB 3.4Å; A16-L19 PolarHBondContact O-N 3.43Å; W17-L19 VanDerWaalsContact C-N 3.33Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 2.83Å; L19-H22 PolarHBondContact O-N 3.44Å; L19-H23 PolarHBondContact O-N 2.87Å; L19-H23 PolarHBondContact O-ND1 2.84Å |
| 20 | C | 71.6 | Confident | 67.7 | Low | 89 Ų | 89 | 103.2 Ų | 103.2 | 60% | 0.601 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.1 | -39.6 | 176.9 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | A16 W17 L18 A24 | A16-C20 PolarHBondContact O-N 3.33Å; A16-C20 PolarHBondContact O-SG 3.31Å; W17-C20 WeakPolarHBondContact O-CB 3.47Å; W17-C20 PolarHBondContact O-N 2.95Å; L18-C20 VanDerWaalsContact C-N 3.34Å; C20-A24 PolarHBondContact O-N 2.92Å |
| 21 | L | 73.3 | Confident | 66.9 | Low | 102 Ų | 102 | 102.1 Ų | 102.1 | 53% | 0.534 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.9 | -41.2 | 174.2 | -87.8 | 146.1 | 0 | 0 | 0 | 112.4 | W17 L18 L19 A24 | W17-L21 HydrophobicContact CD2-CD1 3.95Å; W17-L21 HydrophobicContact CE3-CD1 4.21Å; W17-L21 HydrophobicContact CH2-CD1 4.07Å; W17-L21 HydrophobicContact CZ2-CD1 3.8Å; W17-L21 HydrophobicContact CZ3-CD1 4.26Å; W17-L21 PolarHBondContact O-N 2.97Å; W17-L21 VanDerWaalsContact O-N 3.09Å; L18-L21 PolarHBondContact O-N 3.1Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 2.83Å; L21-A24 PolarHBondContact O-N 3.01Å |
| 22 | H | 70.2 | Confident | 65.8 | Low | 157 Ų | 157 | 100.2 Ų | 100.2 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75.3 | -25.4 | -177.6 | -164.7 | -68.8 | 0 | 0 | 0 | 113.7 | L18 L19 | L18-H22 WeakPolarHBondContact O-CB 3.46Å; L18-H22 PolarHBondContact O-N 3.09Å; L19-H22 PolarHBondContact O-N 3.44Å |
| 23 | H | 66.2 | Low | 65 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 53% | 0.528 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90 | -0 | 176.6 | -66.8 | 80.8 | 0 | 0 | 0 | 113.2 | L19 D25 | L19-H23 PolarHBondContact O-N 2.87Å; L19-H23 PolarHBondContact O-ND1 2.84Å; H23-D25 PolarHBondContact O-N 3.35Å |
| 24 | A | 60.6 | Low | 64.2 | Low | 71 Ų | 71 | 96.1 Ų | 96.1 | 59% | 0.587 | 63% | 0.626 | S | S | * | * | | | trans | -72.8 | 79.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | C20 L21 P26 | C20-A24 PolarHBondContact O-N 2.92Å; L21-A24 PolarHBondContact O-N 3.01Å; A24-P26 WeakPolarHBondContact O-CD 3.41Å |
| 25 | D | 55 | Low | 63.1 | Low | 118 Ų | 118 | 102.2 Ų | 102.2 | 63% | 0.631 | 66% | 0.659 | S | S | * | * | | | trans | -57.5 | 121.5 | 171.9 | -79.6 | -51.2 | 0 | 0 | 0 | 109 | H23 V27 | H23-D25 PolarHBondContact O-N 3.35Å; D25-V27 PolarHBondContact O-N 3.09Å |
| 26 | P | 56.8 | Low | 62.4 | Low | 129 Ų | 129 | 101.5 Ų | 101.5 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 4 | 178.9 | 28.3 | -34.2 | 0 | 0 | 0 | 113.2 | A24 | A24-P26 WeakPolarHBondContact O-CD 3.41Š|
| 27 | V | 57.3 | Low | 61.5 | Low | 124 Ų | 124 | 111.2 Ų | 111.2 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -2 | -166.3 | 96.8 | 0 | 0 | 0 | 0 | 114.8 | D25 | D25-V27 PolarHBondContact O-N 3.09Š|
| 28 | T | 55.7 | Low | 60.6 | Low | 120 Ų | 120 | 108.3 Ų | 108.3 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -121.4 | 29.1 | -174.8 | -46.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 29 | A | 52.3 | Low | 59.6 | Low | 98 Ų | 98 | 108.4 Ų | 108.4 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -107.5 | 8.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 30 | A | 56.3 | Low | 58.7 | Low | 101 Ų | 101 | 114.3 Ų | 114.3 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | | | trans | -130.1 | 62.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 31 | A | 57.5 | Low | 57.9 | Low | 110 Ų | 110 | 115 Ų | 115 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | | | trans | -160.8 | 81.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 32 | G | 53.7 | Low | 57 | Low | 51 Ų | 51 | 118.1 Ų | 118.1 | 53% | 0.526 | 77% | 0.766 | S | S | . | * | | | trans | -172.4 | 78.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 33 | G | 56.9 | Low | 56 | Low | 83 Ų | 83 | 116.8 Ų | 116.8 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | | | trans | -124 | 135 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 34 | G | 58.8 | Low | 55.2 | Low | 80 Ų | 80 | 117 Ų | 117 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | 116.7 | 95.5 | 146.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | G36 | G34-G36 PolarHBondContact O-N 3.39Š|
| 35 | D | 52.9 | Low | 54.8 | Low | 174 Ų | 174 | 117.9 Ų | 117.9 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | | | trans | -61 | 113.7 | 168.7 | -68 | -60.7 | 0 | 0 | 0 | 112.8 | | |
| 36 | G | 56.9 | Low | 54.4 | Low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -101.5 | 87.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G34 T38 | G34-G36 PolarHBondContact O-N 3.39Å; G36-T38 PolarHBondContact O-N 3.23Å |
| 37 | R | 55.2 | Low | 54.1 | Low | 249 Ų | 249 | 118.6 Ų | 118.6 | 94% | 0.94 | 78% | 0.779 | S | S | * | * | | | trans | -59.5 | 103.9 | 161.4 | -86.4 | -172.9 | 169.7 | 114.5 | -3.2 | 108.7 | | |
| 38 | T | 57.2 | Low | 53.8 | Low | 131 Ų | 131 | 120.3 Ų | 120.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -158 | 137.4 | 166.1 | 22.1 | 0 | 0 | 0 | 0 | 112.7 | G36 | G36-T38 PolarHBondContact O-N 3.23Š|
| 39 | A | 54.8 | Low | 53.2 | Low | 87 Ų | 87 | 121.4 Ų | 121.4 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | 78.2 | 98 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | P41 | A39-P41 WeakPolarHBondContact O-CD 3.49Š|
| 40 | V | 53.6 | Low | 52.7 | Low | 146 Ų | 146 | 122 Ų | 122 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | | | trans | -57.5 | 137.5 | 145 | -125 | 0 | 0 | 0 | 0 | 109.2 | | |
| 41 | P | 54.4 | Low | 52.3 | Low | 104 Ų | 104 | 123.1 Ų | 123.1 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | | | trans | -145.1 | 124.2 | 138.2 | 24 | -1.7 | 0 | 0 | 0 | 115.5 | A39 | A39-P41 WeakPolarHBondContact O-CD 3.49Š|
| 42 | L | 53.8 | Low | 51.9 | Low | 167 Ų | 167 | 129.6 Ų | 129.6 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | 66.1 | 119.4 | 132.7 | -50.5 | 177.2 | 0 | 0 | 0 | 121.3 | | |
| 43 | D | 51.1 | Low | 51.7 | Low | 128 Ų | 128 | 132.3 Ų | 132.3 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | | | trans | -46.8 | 151.9 | 166.3 | -166.6 | 52.9 | 0 | 0 | 0 | 113.8 | S45 | D43-S45 PolarHBondContact OD1-N 3.35Å; D43-S45 PolarHBondContact OD2-N 3.3Å; D43-S45 VanDerWaalsContact OD2-N 3.14Å; D43-S45 PolarHBondContact OD2-OG 2.98Å; D43-S45 VanDerWaalsContact OD2-OG 3.09Å |
| 44 | P | 48.3 | Very low | 51.4 | Low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | | -143.7 | 108.8 | 93.7 | 33.2 | -13.3 | 0 | 0 | 0 | 114.6 | | |
| 45 | S | 52.7 | Low | 51 | Low | 90 Ų | 90 | 141 Ų | 141 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | | | | 74.3 | 149.5 | 125.9 | -72.4 | 0 | 0 | 0 | 0 | 121.4 | D43 | D43-S45 PolarHBondContact OD1-N 3.35Å; D43-S45 PolarHBondContact OD2-N 3.3Å; D43-S45 VanDerWaalsContact OD2-N 3.14Å; D43-S45 PolarHBondContact OD2-OG 2.98Å; D43-S45 VanDerWaalsContact OD2-OG 3.09Å |
| 46 | P | 46.5 | Very low | 50.9 | Low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -120.2 | 119.5 | -144.3 | 33.2 | -14.8 | 0 | 0 | 0 | 112 | | |
| 47 | L | 50.2 | Low | 50.7 | Low | 148 Ų | 148 | 146.5 Ų | 146.5 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | -112.4 | 98.9 | 173.6 | -75 | -147.2 | 0 | 0 | 0 | 111 | | |
| 48 | F | 50.3 | Low | 50.4 | Low | 161 Ų | 161 | 142.8 Ų | 142.8 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | 68.2 | 98.1 | 146.5 | -58.3 | -85.5 | 0 | 0 | 0 | 117.1 | | |
| 49 | L | 44.3 | Very low | 50 | Low | 142 Ų | 142 | 139 Ų | 139 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | | 105.2 | 110.7 | 80.7 | -89.9 | -173.2 | 0 | 0 | 0 | 109.4 | | |
| 50 | T | 41.2 | Very low | 49.6 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | trans | 38 | 117.5 | 140.9 | 136.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 51 | T | 48.7 | Very low | 49.4 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | | -172.9 | 113.7 | 121.1 | 25.5 | 0 | 0 | 0 | 0 | 107.5 | P53 | T51-P53 WeakPolarHBondContact O-CD 3.44Š|
| 52 | R | 48.1 | Very low | 49.1 | Very low | 246 Ų | 246 | 140.3 Ų | 140.3 | 93% | 0.928 | 76% | 0.761 | S | S | * | * | | | trans | -67 | 135.3 | 156.4 | -83.7 | -174.6 | 170.6 | 176.9 | -2.2 | 106.5 | | |
| 53 | P | 49.8 | Very low | 49 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | | -132.3 | 123.8 | 125.1 | 26.7 | -10.7 | 0 | 0 | 0 | 110.4 | T51 Q55 | T51-P53 WeakPolarHBondContact O-CD 3.44Å; P53-Q55 PolarHBondContact O-N 2.98Å; P53-Q55 VanDerWaalsContact O-N 3.08Å |
| 54 | E | 50.6 | Low | 49.3 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -49.3 | 103.3 | 149.5 | -176.4 | -168.5 | 160.4 | 0 | 0 | 108.8 | | |
| 55 | Q | 51.5 | Low | 49.7 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -147.6 | 111.7 | 156.2 | -79.6 | -145.4 | -70.9 | 0 | 0 | 110.5 | P53 T57 | P53-Q55 PolarHBondContact O-N 2.98Å; P53-Q55 VanDerWaalsContact O-N 3.08Å; Q55-T57 PolarHBondContact O-N 2.98Å; Q55-T57 VanDerWaalsContact O-N 3.13Å |
| 56 | R | 50.2 | Low | 49.8 | Very low | 237 Ų | 237 | 146.6 Ų | 146.6 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | | | trans | -56.6 | 107.8 | 163 | -71.7 | 173.5 | 151.1 | 105.2 | -4.1 | 108.9 | | |
| 57 | T | 51.4 | Low | 50.4 | Low | 120 Ų | 120 | 151.5 Ų | 151.5 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -131.5 | 101.5 | 159.3 | -58.4 | 0 | 0 | 0 | 0 | 106.6 | Q55 G59 | Q55-T57 PolarHBondContact O-N 2.98Å; Q55-T57 VanDerWaalsContact O-N 3.13Å; T57-G59 VanDerWaalsContact C-N 3.31Å; T57-G59 PolarHBondContact O-N 3.36Å |
| 58 | I | 50.2 | Low | 51 | Low | 172 Ų | 172 | 150 Ų | 150 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | | | trans | -65.7 | 98 | 166.4 | -65.4 | 170.1 | 0 | 0 | 0 | 105.5 | | |
| 59 | G | 48.1 | Very low | 51.7 | Low | 51 Ų | 51 | 150.7 Ų | 150.7 | 53% | 0.526 | 79% | 0.786 | S | S | . | * | | | trans | -79.9 | 131 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T57 A61 | T57-G59 VanDerWaalsContact C-N 3.31Å; T57-G59 PolarHBondContact O-N 3.36Å; G59-A61 PolarHBondContact O-N 2.94Å |
| 60 | P | 45.8 | Very low | 52.9 | Low | 132 Ų | 132 | 149 Ų | 149 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -85.9 | 87 | -179.5 | 33.8 | -29.2 | 0 | 0 | 0 | 108.5 | | |
| 61 | A | 51.3 | Low | 54.2 | Low | 82 Ų | 82 | 152.9 Ų | 152.9 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -157.1 | -9.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | G59 | G59-A61 PolarHBondContact O-N 2.94Š|
| 62 | D | 47.7 | Very low | 54.9 | Low | 151 Ų | 151 | 152.4 Ų | 152.4 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | -150.9 | 34 | -176.1 | -100.3 | -54.6 | 0 | 0 | 0 | 115.4 | E64 | D62-E64 VanDerWaalsContact C-N 3.3Å; D62-E64 PolarHBondContact O-N 2.92Å |
| 63 | S | 52 | Low | 55.4 | Low | 128 Ų | 128 | 144.3 Ų | 144.3 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 18.4 | 178.8 | -57.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 64 | E | 57.2 | Low | 56 | Low | 185 Ų | 185 | 148.1 Ų | 148.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 6 | -169 | -147.3 | -177.7 | 126.9 | 0 | 0 | 116.4 | D62 | D62-E64 VanDerWaalsContact C-N 3.3Å; D62-E64 PolarHBondContact O-N 2.92Å |
| 65 | R | 56.2 | Low | 56.8 | Low | 229 Ų | 229 | 147.2 Ų | 147.2 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -132.9 | 26.8 | -178.6 | -70 | -175.6 | 176.3 | -96.6 | -2.1 | 116.2 | R67 | R65-R67 PolarHBondContact O-N 3.47Š|
| 66 | A | 55 | Low | 57.2 | Low | 94 Ų | 94 | 143.9 Ų | 143.9 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | | | trans | -78.9 | 67.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | C68 | A66-C68 PolarHBondContact O-N 3.43Š|
| 67 | R | 59.4 | Low | 57.6 | Low | 216 Ų | 216 | 141.9 Ų | 141.9 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | | | trans | -71.3 | 83.6 | 170.9 | -164.5 | 176.7 | -165.6 | -110.1 | 3.6 | 107 | R65 Y69 | R65-R67 PolarHBondContact O-N 3.47Å; R67-Y69 VanDerWaalsContact C-N 3.34Å; R67-Y69 PolarHBondContact O-N 2.72Å |
| 68 | C | 62.7 | Low | 58 | Low | 117 Ų | 117 | 140.1 Ų | 140.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | -52 | 97.8 | 172.7 | -64.6 | 0 | 0 | 0 | 0 | 108.8 | A66 | A66-C68 PolarHBondContact O-N 3.43Š|
| 69 | Y | 64.4 | Low | 58.4 | Low | 174 Ų | 174 | 143.5 Ų | 143.5 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 121.7 | 166.9 | -148.8 | -91.9 | 0 | 0 | 0 | 105.9 | R67 K71 | R67-Y69 VanDerWaalsContact C-N 3.34Å; R67-Y69 PolarHBondContact O-N 2.72Å; Y69-K71 PolarHBondContact O-N 3.18Å; Y69-K71 VanDerWaalsContact O-N 3.12Å |
| 70 | P | 69.6 | Low | 59 | Low | 106 Ų | 106 | 147.5 Ų | 147.5 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 122 | 176.5 | 24 | -30.3 | 0 | 0 | 0 | 107.3 | D72 | P70-D72 PolarHBondContact O-N 2.99Š|
| 71 | K | 68.5 | Low | 60.1 | Low | 193 Ų | 193 | 150.3 Ų | 150.3 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 116.2 | 175.3 | -81.4 | -162.7 | 173 | -71.3 | 0 | 107.7 | Y69 G73 | Y69-K71 PolarHBondContact O-N 3.18Å; Y69-K71 VanDerWaalsContact O-N 3.12Å; K71-G73 PolarHBondContact O-N 2.97Å |
| 72 | D | 62.4 | Low | 60.8 | Low | 116 Ų | 116 | 151 Ų | 151 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -13 | 117.7 | 170.7 | -55 | -60.9 | 0 | 0 | 0 | 115 | P70 | P70-D72 PolarHBondContact O-N 2.99Š|
| 73 | G | 59.8 | Low | 61.3 | Low | 75 Ų | 75 | 152.4 Ų | 152.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.6 | 7.2 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | K71 L75 | K71-G73 PolarHBondContact O-N 2.97Å; G73-L75 VanDerWaalsContact C-N 3.29Å; G73-L75 PolarHBondContact O-N 2.85Å |
| 74 | E | 62.4 | Low | 61.6 | Low | 188 Ų | 188 | 154.1 Ų | 154.1 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -79.5 | 78.6 | 174.1 | -154.7 | 174.2 | -155.9 | 0 | 0 | 111.3 | C76 | E74-C76 PolarHBondContact O-N 3.01Š|
| 75 | L | 67 | Low | 61.9 | Low | 156 Ų | 156 | 150.9 Ų | 150.9 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | trans | -68.5 | 98 | 166.4 | -70.6 | 174.1 | 0 | 0 | 0 | 108.2 | G73 M77 | G73-L75 VanDerWaalsContact C-N 3.29Å; G73-L75 PolarHBondContact O-N 2.85Å; L75-M77 WeakPolarHBondContact O-CG 3.45Å; L75-M77 PolarHBondContact O-N 3.18Å |
| 76 | C | 60.5 | Low | 62.2 | Low | 100 Ų | 100 | 147.5 Ų | 147.5 | 68% | 0.676 | 77% | 0.774 | S | S | * | * | | | trans | -52.9 | 103.9 | 170.8 | -166.1 | 0 | 0 | 0 | 0 | 109.3 | E74 S78 | E74-C76 PolarHBondContact O-N 3.01Å; C76-S78 PolarHBondContact O-N 3.46Å; C76-S78 PolarHBondContact SG-OG 3.12Å |
| 77 | M | 57.9 | Low | 62.6 | Low | 194 Ų | 194 | 149.2 Ų | 149.2 | 96% | 0.956 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -71.2 | 29.6 | -175.7 | -60.7 | -167.7 | 94.6 | 0 | 0 | 113.6 | L75 | L75-M77 WeakPolarHBondContact O-CG 3.45Å; L75-M77 PolarHBondContact O-N 3.18Å |
| 78 | S | 60.3 | Low | 62.9 | Low | 83 Ų | 83 | 146.1 Ų | 146.1 | 58% | 0.58 | 77% | 0.769 | S | S | * | * | | | trans | -132.7 | 38.5 | -169.9 | 62.3 | 0 | 0 | 0 | 0 | 114 | C76 | C76-S78 PolarHBondContact O-N 3.46Å; C76-S78 PolarHBondContact SG-OG 3.12Å |
| 79 | R | 58.6 | Low | 62.6 | Low | 243 Ų | 243 | 146.3 Ų | 146.3 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | | | trans | -110.4 | 86.5 | 153.2 | -70.7 | -176 | 82.5 | -177.3 | 3.9 | 109 | K81 | R79-K81 PolarHBondContact O-N 3.06Š|
| 80 | T | 61.2 | Low | 62.6 | Low | 136 Ų | 136 | 148.3 Ų | 148.3 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | -40.8 | 124.3 | 157.9 | 29.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 81 | K | 69 | Low | 62.1 | Low | 190 Ų | 190 | 148.5 Ų | 148.5 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -44.9 | 130.3 | 175.2 | -174.6 | -179 | -178.9 | -176.6 | 0 | 110.3 | R79 E83 | R79-K81 PolarHBondContact O-N 3.06Å; K81-E83 PolarHBondContact O-N 2.86Å; K81-E83 VanDerWaalsContact O-N 3.09Å |
| 82 | P | 65.1 | Low | 61.7 | Low | 96 Ų | 96 | 142.8 Ų | 142.8 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | | | trans | -68.1 | 111.9 | 167.3 | 28.2 | -29.8 | 0 | 0 | 0 | 107.6 | E84 | P82-E84 PolarHBondContact O-N 2.83Š|
| 83 | E | 58.1 | Low | 61.6 | Low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -75.3 | 71.7 | 167.8 | -165.5 | 178.9 | 124.4 | 0 | 0 | 108.3 | K81 | K81-E83 PolarHBondContact O-N 2.86Å; K81-E83 VanDerWaalsContact O-N 3.09Å |
| 84 | E | 58.9 | Low | 61.9 | Low | 165 Ų | 165 | 145.9 Ų | 145.9 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | | | trans | -103 | 80 | 169.3 | 60.1 | -176.3 | 107.2 | 0 | 0 | 110.1 | P82 L86 | P82-E84 PolarHBondContact O-N 2.83Å; E84-L86 PolarHBondContact O-N 3.34Å |
| 85 | T | 64.3 | Low | 61.9 | Low | 116 Ų | 116 | 142.9 Ų | 142.9 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | | | trans | -86.3 | 87.9 | 169.2 | -49.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 86 | L | 61.6 | Low | 62.2 | Low | 159 Ų | 159 | 142.3 Ų | 142.3 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -140.6 | 83.3 | 166.7 | -70.8 | 178.3 | 0 | 0 | 0 | 110.5 | E84 E88 | E84-L86 PolarHBondContact O-N 3.34Å; L86-E88 PolarHBondContact O-N 3.05Å |
| 87 | V | 63.1 | Low | 62.5 | Low | 130 Ų | 130 | 144.9 Ų | 144.9 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | | | trans | -70.6 | 97.8 | 157 | 174.7 | 0 | 0 | 0 | 0 | 106.9 | V89 | V87-V89 HydrophobicContact CG1-CG2 3.9Å; V87-V89 PolarHBondContact O-N 2.97Å |
| 88 | E | 65.2 | Low | 63.3 | Low | 150 Ų | 150 | 141.2 Ų | 141.2 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | -80.8 | 100.3 | 162.3 | -76.7 | -162.3 | 156.8 | 0 | 0 | 109.1 | L86 R90 | L86-E88 PolarHBondContact O-N 3.05Å; E88-R90 VanDerWaalsContact C-N 3.26Å; E88-R90 HydrophobicContact CB-CG 4.27Å; E88-R90 PolarHBondContact O-N 3.33Å |
| 89 | V | 57.5 | Low | 64 | Low | 122 Ų | 122 | 147.3 Ų | 147.3 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | | | trans | -68.9 | 87.1 | 162 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | V87 | V87-V89 HydrophobicContact CG1-CG2 3.9Å; V87-V89 PolarHBondContact O-N 2.97Å |
| 90 | R | 64.8 | Low | 64.8 | Low | 216 Ų | 216 | 141.9 Ų | 141.9 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | | | trans | -96.8 | 86.3 | 164 | -61.1 | -170.2 | 81.8 | 179.7 | 4.2 | 108.2 | E88 | E88-R90 VanDerWaalsContact C-N 3.26Å; E88-R90 HydrophobicContact CB-CG 4.27Å; E88-R90 PolarHBondContact O-N 3.33Å |
| 91 | S | 58.4 | Low | 65.2 | Low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | -67.4 | 133.2 | 166 | 61.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 92 | G | 60.9 | Low | 64.8 | Low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | 105.2 | 88.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 93 | V | 59 | Low | 64.6 | Low | 129 Ų | 129 | 142 Ų | 142 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | | | | 172.1 | 126.5 | 117.3 | 142.8 | 0 | 0 | 0 | 0 | 108 | V95 | V93-V95 HydrophobicContact CG1-CG1 4.46Å; V93-V95 PolarHBondContact O-N 3.2Å; V93-V95 VanDerWaalsContact O-N 3.08Å |
| 94 | D | 65.8 | Low | 64.9 | Low | 128 Ų | 128 | 140.1 Ų | 140.1 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | | | trans | -67 | 99.2 | 177.5 | -162.2 | 18.7 | 0 | 0 | 0 | 109 | Q96 | D94-Q96 PolarHBondContact O-N 2.97Å; D94-Q96 PolarHBondContact OD2-NE2 3.14Å |
| 95 | V | 63.9 | Low | 65.2 | Low | 125 Ų | 125 | 138.8 Ų | 138.8 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | | | trans | -78.7 | 67.7 | 176.2 | -76.6 | 0 | 0 | 0 | 0 | 110.1 | V93 I97 | V93-V95 HydrophobicContact CG1-CG1 4.46Å; V93-V95 PolarHBondContact O-N 3.2Å; V93-V95 VanDerWaalsContact O-N 3.08Å; V95-I97 PolarHBondContact O-N 3.13Å |
| 96 | Q | 71.6 | Confident | 65.3 | Low | 143 Ų | 143 | 140.1 Ų | 140.1 | 67% | 0.668 | 80% | 0.803 | S | S | * | * | | | trans | -72.3 | 109.4 | 165.7 | -70.6 | -169.7 | 53.3 | 0 | 0 | 109 | D94 T98 | D94-Q96 PolarHBondContact O-N 2.97Å; D94-Q96 PolarHBondContact OD2-NE2 3.14Å; Q96-T98 VanDerWaalsContact C-N 3.29Å; Q96-T98 PolarHBondContact O-N 3.08Å |
| 97 | I | 66.7 | Low | 65.5 | Low | 154 Ų | 154 | 138.9 Ų | 138.9 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | -77.2 | 84 | 171.1 | -56.8 | 174.4 | 0 | 0 | 0 | 107.5 | V95 R99 | V95-I97 PolarHBondContact O-N 3.13Å; I97-R99 PolarHBondContact O-N 2.81Å |
| 98 | T | 75.3 | Confident | 65.6 | Low | 118 Ų | 118 | 139.5 Ų | 139.5 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | trans | -73.2 | 107.9 | 166.4 | -53.8 | 0 | 0 | 0 | 0 | 108.3 | Q96 | Q96-T98 VanDerWaalsContact C-N 3.29Å; Q96-T98 PolarHBondContact O-N 3.08Å |
| 99 | R | 76.2 | Confident | 65.7 | Low | 211 Ų | 211 | 138.8 Ų | 138.8 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | | | trans | -69.7 | 125.2 | 167.9 | -62 | -173.3 | -177.3 | -172.1 | 1 | 107.9 | I97 T101 | I97-R99 PolarHBondContact O-N 2.81Å; R99-T101 PolarHBondContact O-N 3.09Å; R99-T101 VanDerWaalsContact O-N 3.16Å |
| 100 | P | 74.2 | Confident | 66.3 | Low | 129 Ų | 129 | 140 Ų | 140 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | | | trans | -69 | 114.4 | 174.8 | 26.5 | -30.7 | 0 | 0 | 0 | 109.2 | | |
| 101 | T | 70.3 | Confident | 66.4 | Low | 140 Ų | 140 | 134.2 Ų | 134.2 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | | | trans | -86.5 | 100.8 | 160.9 | -48.8 | 0 | 0 | 0 | 0 | 106.3 | R99 | R99-T101 PolarHBondContact O-N 3.09Å; R99-T101 VanDerWaalsContact O-N 3.16Å |
| 102 | C | 59.7 | Low | 67 | Low | 122 Ų | 122 | 136.3 Ų | 136.3 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | | | trans | -87.7 | 125.5 | 166 | -169.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 103 | A | 60.7 | Low | 67.6 | Low | 163 Ų | 163 | 142 Ų | 142 | 100% | 1.347 | 83% | 0.825 | S | S | * | * | | | trans | -67.6 | 0 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |