| 1 | M | 46.6 | Very low | 56.1 | Low | 208 Ų | 208 | 116 Ų | 116 | 100% | 1.025 | 61% | 0.608 | S | S | * | * | | | | 0 | -22.8 | 0 | -68.8 | 175.5 | 79.9 | 0 | 0 | 114.3 | S3 | M1-S3 PolarHBondContact O-N 3.03Š|
| 2 | A | 45.5 | Very low | 56.7 | Low | 81 Ų | 81 | 121.2 Ų | 121.2 | 67% | 0.669 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.4 | -21.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 3 | S | 52.8 | Low | 57.1 | Low | 84 Ų | 84 | 125.4 Ų | 125.4 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.9 | -29.2 | -177.4 | 83.8 | 0 | 0 | 0 | 0 | 113.3 | M1 N5 R6 T7 | M1-S3 PolarHBondContact O-N 3.03Å; S3-N5 VanDerWaalsContact C-N 3.33Å; S3-N5 PolarHBondContact O-N 3.26Å; S3-R6 PolarHBondContact O-N 3.3Å; S3-T7 PolarHBondContact O-N 2.6Å; S3-T7 PolarHBondContact O-OG1 3.48Å; S3-T7 VanDerWaalsContact O-OG1 3.1Å |
| 4 | I | 53.2 | Low | 57 | Low | 104 Ų | 104 | 122.9 Ų | 122.9 | 53% | 0.533 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.4 | -40.1 | -179.1 | -62.1 | 170.7 | 0 | 0 | 0 | 109.9 | R6 T7 I8 | I4-R6 PolarHBondContact O-N 3.09Å; I4-T7 PolarHBondContact O-N 2.81Å; I4-I8 HydrophobicContact CG2-CD1 3.84Å; I4-I8 WeakPolarHBondContact O-CG1 3.3Å; I4-I8 PolarHBondContact O-N 2.89Å |
| 5 | N | 56 | Low | 56.7 | Low | 103 Ų | 103 | 118.8 Ų | 118.8 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.6 | -38.6 | 177.7 | -66 | -10.4 | 0 | 0 | 0 | 111.8 | S3 T7 I8 E9 | S3-N5 VanDerWaalsContact C-N 3.33Å; S3-N5 PolarHBondContact O-N 3.26Å; N5-T7 PolarHBondContact O-N 2.91Å; N5-I8 PolarHBondContact O-N 2.95Å; N5-E9 WeakPolarHBondContact O-CG 3.43Å; N5-E9 PolarHBondContact O-N 3.4Å |
| 6 | R | 58.7 | Low | 56.8 | Low | 192 Ų | 192 | 118.8 Ų | 118.8 | 73% | 0.725 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.2 | -43.5 | 172.9 | -85.3 | -178.1 | 176.6 | 156.6 | 0 | 112 | S3 I4 E9 I10 | S3-R6 PolarHBondContact O-N 3.3Å; I4-R6 PolarHBondContact O-N 3.09Å; R6-E9 PolarHBondContact O-N 3.1Å; R6-I10 WeakPolarHBondContact O-CD1 3.42Å; R6-I10 WeakPolarHBondContact O-CG1 3.13Å; R6-I10 PolarHBondContact O-N 2.66Å |
| 7 | T | 57.6 | Low | 57.4 | Low | 78 Ų | 78 | 114.9 Ų | 114.9 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.2 | -40.2 | 179.3 | -46.6 | 0 | 0 | 0 | 0 | 111.6 | S3 I4 N5 I10 I11 | S3-T7 PolarHBondContact O-N 2.6Å; S3-T7 PolarHBondContact O-OG1 3.48Å; S3-T7 VanDerWaalsContact O-OG1 3.1Å; I4-T7 PolarHBondContact O-N 2.81Å; N5-T7 PolarHBondContact O-N 2.91Å; T7-I10 PolarHBondContact O-N 3.03Å; T7-I11 HydrophobicContact CG2-CD1 4.02Å; T7-I11 WeakPolarHBondContact O-CB 3.36Å; T7-I11 WeakPolarHBondContact O-CD1 3.49Å; T7-I11 WeakPolarHBondContact O-CG1 3.43Å; T7-I11 PolarHBondContact O-N 3.2Å |
| 8 | I | 62.4 | Low | 57.9 | Low | 86 Ų | 86 | 117.6 Ų | 117.6 | 44% | 0.441 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.4 | -39.3 | 177.5 | -67.1 | 167.4 | 0 | 0 | 0 | 111.3 | I4 N5 I11 K12 | I4-I8 HydrophobicContact CG2-CD1 3.84Å; I4-I8 WeakPolarHBondContact O-CG1 3.3Å; I4-I8 PolarHBondContact O-N 2.89Å; N5-I8 PolarHBondContact O-N 2.95Å; I8-I11 PolarHBondContact O-N 3.28Å; I8-K12 WeakPolarHBondContact O-CB 3.09Å; I8-K12 PolarHBondContact O-N 3.15Å |
| 9 | E | 61.4 | Low | 58.2 | Low | 134 Ų | 134 | 118.3 Ų | 118.3 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.1 | -37.5 | 175.5 | -74.9 | -162.9 | 174.1 | 0 | 0 | 113 | N5 R6 K12 K13 | N5-E9 WeakPolarHBondContact O-CG 3.43Å; N5-E9 PolarHBondContact O-N 3.4Å; R6-E9 PolarHBondContact O-N 3.1Å; E9-K12 PolarHBondContact O-N 2.88Å; E9-K13 WeakPolarHBondContact O-CB 3.23Å; E9-K13 PolarHBondContact O-N 2.97Å |
| 10 | I | 61 | Low | 58.8 | Low | 95 Ų | 95 | 117.5 Ų | 117.5 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.7 | -46.2 | 172.5 | -69 | 164 | 0 | 0 | 0 | 109.8 | R6 T7 K12 K13 H14 | R6-I10 WeakPolarHBondContact O-CD1 3.42Å; R6-I10 WeakPolarHBondContact O-CG1 3.13Å; R6-I10 PolarHBondContact O-N 2.66Å; T7-I10 PolarHBondContact O-N 3.03Å; I10-K12 PolarHBondContact O-N 2.99Å; I10-K13 PolarHBondContact O-N 2.79Å; I10-H14 WeakPolarHBondContact O-CB 3.45Å; I10-H14 PolarHBondContact O-N 2.91Å; I10-H14 PolarHBondContact O-ND1 3.3Å |
| 11 | I | 61.6 | Low | 59.4 | Low | 111 Ų | 111 | 115.1 Ų | 115.1 | 57% | 0.569 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.8 | -41.4 | 177.6 | -68.6 | 164.3 | 0 | 0 | 0 | 111.3 | T7 I8 H14 G15 | T7-I11 HydrophobicContact CG2-CD1 4.02Å; T7-I11 WeakPolarHBondContact O-CB 3.36Å; T7-I11 WeakPolarHBondContact O-CD1 3.49Å; T7-I11 WeakPolarHBondContact O-CG1 3.43Å; T7-I11 PolarHBondContact O-N 3.2Å; I8-I11 PolarHBondContact O-N 3.28Å; I11-H14 CarbonylContact O-C 3.45Å; I11-H14 PolarHBondContact O-N 3.3Å; I11-G15 PolarHBondContact O-N 3.18Å |
| 12 | K | 63.9 | Low | 60.5 | Low | 178 Ų | 178 | 109.4 Ų | 109.4 | 77% | 0.774 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64 | -42.8 | 174.6 | -95.7 | -176.1 | 172.2 | -179.2 | 0 | 112.2 | I8 E9 I10 H14 G15 | I8-K12 WeakPolarHBondContact O-CB 3.09Å; I8-K12 PolarHBondContact O-N 3.15Å; E9-K12 PolarHBondContact O-N 2.88Å; I10-K12 PolarHBondContact O-N 2.99Å; K12-H14 VanDerWaalsContact C-N 3.34Å; K12-G15 PolarHBondContact O-N 3.44Å |
| 13 | K | 61.7 | Low | 61.6 | Low | 176 Ų | 176 | 109.7 Ų | 109.7 | 77% | 0.765 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.9 | -33.1 | 175.4 | -85.5 | -167.1 | 171.8 | -175.4 | 0 | 112.9 | E9 I10 | E9-K13 WeakPolarHBondContact O-CB 3.23Å; E9-K13 PolarHBondContact O-N 2.97Å; I10-K13 PolarHBondContact O-N 2.79Å |
| 14 | H | 54.9 | Low | 62.4 | Low | 90 Ų | 90 | 109.6 Ų | 109.6 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 12.9 | -179.9 | -64 | 64.9 | 0 | 0 | 0 | 112.8 | I10 I11 K12 V16 | I10-H14 WeakPolarHBondContact O-CB 3.45Å; I10-H14 PolarHBondContact O-N 2.91Å; I10-H14 PolarHBondContact O-ND1 3.3Å; I11-H14 CarbonylContact O-C 3.45Å; I11-H14 PolarHBondContact O-N 3.3Å; K12-H14 VanDerWaalsContact C-N 3.34Å; H14-V16 PolarHBondContact O-N 3.05Å |
| 15 | G | 53.6 | Low | 63.2 | Low | 62 Ų | 62 | 109.1 Ų | 109.1 | 64% | 0.639 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -14.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I11 K12 S17 | I11-G15 PolarHBondContact O-N 3.18Å; K12-G15 PolarHBondContact O-N 3.44Å; G15-S17 VanDerWaalsContact C-N 3.28Å; G15-S17 PolarHBondContact O-N 3.03Å |
| 16 | V | 58 | Low | 63.6 | Low | 119 Ų | 119 | 107.4 Ų | 107.4 | 72% | 0.721 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -70.2 | 91.7 | 162.7 | -177 | 0 | 0 | 0 | 0 | 107.9 | H14 | H14-V16 PolarHBondContact O-N 3.05Š|
| 17 | S | 66.6 | Low | 64 | Low | 52 Ų | 52 | 106.5 Ų | 106.5 | 36% | 0.364 | 54% | 0.537 | S | S | . | . | | | trans | 53.2 | 85.5 | 166.4 | 179.4 | 0 | 0 | 0 | 0 | 113.2 | G15 Q19 H20 L21 | G15-S17 VanDerWaalsContact C-N 3.28Å; G15-S17 PolarHBondContact O-N 3.03Å; S17-Q19 CarbonylContact O-C 3.57Å; S17-Q19 PolarHBondContact O-N 3.13Å; S17-Q19 WeakPolarHBondContact OG-CB 3.4Å; S17-H20 WeakPolarHBondContact O-CA 3.35Å; S17-H20 WeakPolarHBondContact O-CB 3.47Å; S17-H20 PolarHBondContact O-N 2.96Å; S17-H20 PolarHBondContact OG-N 2.9Å; S17-L21 PolarHBondContact O-N 2.97Å |
| 18 | K | 66.3 | Low | 64.5 | Low | 163 Ų | 163 | 110.3 Ų | 110.3 | 71% | 0.709 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -41.9 | -30.8 | 161.5 | -178.4 | 180 | 177.7 | -177.8 | 0 | 112.1 | L22 | K18-L22 HydrophobicContact CG-CD1 4.24Å; K18-L22 WeakPolarHBondContact O-CB 3.49Å; K18-L22 WeakPolarHBondContact O-CD1 3.27Å; K18-L22 WeakPolarHBondContact O-CG 3.48Å; K18-L22 PolarHBondContact O-N 2.94Å |
| 19 | Q | 64.7 | Low | 64.4 | Low | 132 Ų | 132 | 112.6 Ų | 112.6 | 62% | 0.617 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.2 | -44.8 | 174 | -175.5 | 174.1 | 2.6 | 0 | 0 | 113.2 | S17 L21 L22 E23 | S17-Q19 CarbonylContact O-C 3.57Å; S17-Q19 PolarHBondContact O-N 3.13Å; S17-Q19 WeakPolarHBondContact OG-CB 3.4Å; Q19-L21 VanDerWaalsContact C-N 3.35Å; Q19-L21 PolarHBondContact O-N 3.25Å; Q19-L22 WeakPolarHBondContact O-CB 3.49Å; Q19-L22 PolarHBondContact O-N 3.35Å; Q19-E23 WeakPolarHBondContact O-CG 3.41Å; Q19-E23 PolarHBondContact O-N 2.78Å |
| 20 | H | 70.3 | Confident | 64.2 | Low | 101 Ų | 101 | 113.9 Ų | 113.9 | 47% | 0.468 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.5 | -42.6 | 174.2 | -174.3 | -87.4 | 0 | 0 | 0 | 112.1 | S17 L22 E23 E24 | S17-H20 WeakPolarHBondContact O-CA 3.35Å; S17-H20 WeakPolarHBondContact O-CB 3.47Å; S17-H20 PolarHBondContact O-N 2.96Å; S17-H20 PolarHBondContact OG-N 2.9Å; H20-L22 VanDerWaalsContact C-N 3.34Å; H20-L22 PolarHBondContact O-N 3.03Å; H20-E23 PolarHBondContact O-N 3.12Å; H20-E24 IonicContact CE1-OE1 3.61Å; H20-E24 PolarHBondContact O-N 3.22Å |
| 21 | L | 70.9 | Confident | 63.9 | Low | 69 Ų | 69 | 113.3 Ų | 113.3 | 36% | 0.361 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.3 | -40.4 | 175.5 | 179.6 | 62.8 | 0 | 0 | 0 | 111.9 | S17 Q19 E24 I25 | S17-L21 PolarHBondContact O-N 2.97Å; Q19-L21 VanDerWaalsContact C-N 3.35Å; Q19-L21 PolarHBondContact O-N 3.25Å; L21-E24 PolarHBondContact O-N 3.44Å; L21-I25 HydrophobicContact CD1-CD1 4.24Å; L21-I25 HydrophobicContact CG-CD1 4.06Å; L21-I25 WeakPolarHBondContact O-CD1 3.2Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.12Å; L21-I25 VanDerWaalsContact O-N 3.13Å |
| 22 | L | 68.8 | Low | 63.5 | Low | 88 Ų | 88 | 114.7 Ų | 114.7 | 46% | 0.461 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.5 | -39 | 176.2 | -74.2 | 167.8 | 0 | 0 | 0 | 111.9 | K18 Q19 H20 I25 N26 | K18-L22 HydrophobicContact CG-CD1 4.24Å; K18-L22 WeakPolarHBondContact O-CB 3.49Å; K18-L22 WeakPolarHBondContact O-CD1 3.27Å; K18-L22 WeakPolarHBondContact O-CG 3.48Å; K18-L22 PolarHBondContact O-N 2.94Å; Q19-L22 WeakPolarHBondContact O-CB 3.49Å; Q19-L22 PolarHBondContact O-N 3.35Å; H20-L22 VanDerWaalsContact C-N 3.34Å; H20-L22 PolarHBondContact O-N 3.03Å; L22-I25 PolarHBondContact O-N 3.47Å; L22-N26 WeakPolarHBondContact O-CB 3.49Å; L22-N26 VanDerWaalsContact O-CG 3.23Å; L22-N26 PolarHBondContact O-N 3.13Å; L22-N26 PolarHBondContact O-ND2 2.79Å |
| 23 | E | 70.1 | Confident | 62.7 | Low | 87 Ų | 87 | 109 Ų | 109 | 41% | 0.407 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -43.4 | 175.7 | -76 | 174.4 | -161.1 | 0 | 0 | 112.3 | Q19 H20 N26 K27 | Q19-E23 WeakPolarHBondContact O-CG 3.41Å; Q19-E23 PolarHBondContact O-N 2.78Å; H20-E23 PolarHBondContact O-N 3.12Å; E23-N26 PolarHBondContact O-N 2.95Å; E23-K27 WeakPolarHBondContact O-CG 3.45Å; E23-K27 PolarHBondContact O-N 3.19Å |
| 24 | E | 68.9 | Low | 62.2 | Low | 82 Ų | 82 | 106.9 Ų | 106.9 | 38% | 0.383 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.5 | -77.4 | -149.9 | 179.9 | 0 | 0 | 112.9 | H20 L21 N26 K27 K28 | H20-E24 IonicContact CE1-OE1 3.61Å; H20-E24 PolarHBondContact O-N 3.22Å; L21-E24 PolarHBondContact O-N 3.44Å; E24-N26 VanDerWaalsContact C-N 3.31Å; E24-N26 PolarHBondContact O-N 3.47Å; E24-K27 PolarHBondContact O-N 2.9Å; E24-K28 WeakPolarHBondContact O-CG 3.34Å; E24-K28 PolarHBondContact O-N 3.28Å; E24-K28 IonicContact OE2-NZ 3.37Å; E24-K28 PolarHBondContact OE2-NZ 2.84Å |
| 25 | I | 69.6 | Low | 62 | Low | 93 Ų | 93 | 109 Ų | 109 | 48% | 0.477 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.3 | -41.1 | 177.9 | -69 | 167 | 0 | 0 | 0 | 110.2 | L21 L22 K28 R29 | L21-I25 HydrophobicContact CD1-CD1 4.24Å; L21-I25 HydrophobicContact CG-CD1 4.06Å; L21-I25 WeakPolarHBondContact O-CD1 3.2Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.48Å; L21-I25 PolarHBondContact O-N 3.12Å; L21-I25 VanDerWaalsContact O-N 3.13Å; L22-I25 PolarHBondContact O-N 3.47Å; I25-K28 PolarHBondContact O-N 3.05Å; I25-R29 PolarHBondContact O-N 2.76Å |
| 26 | N | 64.6 | Low | 61.9 | Low | 68 Ų | 68 | 111.3 Ų | 111.3 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.1 | -41.1 | 177 | -72.8 | -24.4 | 0 | 0 | 0 | 112.2 | L22 E23 E24 K28 R29 L44 | L22-N26 WeakPolarHBondContact O-CB 3.49Å; L22-N26 VanDerWaalsContact O-CG 3.23Å; L22-N26 PolarHBondContact O-N 3.13Å; L22-N26 PolarHBondContact O-ND2 2.79Å; E23-N26 PolarHBondContact O-N 2.95Å; E24-N26 VanDerWaalsContact C-N 3.31Å; E24-N26 PolarHBondContact O-N 3.47Å; N26-K28 VanDerWaalsContact C-N 3.32Å; N26-K28 PolarHBondContact O-N 3.06Å; N26-R29 WeakPolarHBondContact O-CB 3.45Å; N26-R29 PolarHBondContact O-N 3.37Å; N26-L44 WeakPolarHBondContact ND2-CD1 3.45Å |
| 27 | K | 67.9 | Low | 61.5 | Low | 172 Ų | 172 | 115.6 Ų | 115.6 | 75% | 0.748 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.2 | -36 | 176.4 | -74.7 | 173.7 | -176.9 | 173.1 | 0 | 112.9 | E23 E24 R29 | E23-K27 WeakPolarHBondContact O-CG 3.45Å; E23-K27 PolarHBondContact O-N 3.19Å; E24-K27 PolarHBondContact O-N 2.9Å; K27-R29 VanDerWaalsContact C-N 3.31Å |
| 28 | K | 66.3 | Low | 60.7 | Low | 158 Ų | 158 | 116.7 Ų | 116.7 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -79.6 | -11.7 | 178.1 | -71.9 | 172.6 | 179.8 | 161.4 | 0 | 113.3 | E24 I25 N26 E30 | E24-K28 WeakPolarHBondContact O-CG 3.34Å; E24-K28 PolarHBondContact O-N 3.28Å; E24-K28 IonicContact OE2-NZ 3.37Å; E24-K28 PolarHBondContact OE2-NZ 2.84Å; I25-K28 PolarHBondContact O-N 3.05Å; N26-K28 VanDerWaalsContact C-N 3.32Å; N26-K28 PolarHBondContact O-N 3.06Å; K28-E30 PolarHBondContact O-N 3Å |
| 29 | R | 61.9 | Low | 60.2 | Low | 134 Ų | 134 | 116.6 Ų | 116.6 | 51% | 0.506 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -79.2 | 104.3 | 179.3 | -161.2 | 176.9 | -171.5 | 179.4 | -0.6 | 108.4 | I25 N26 K27 S31 | I25-R29 PolarHBondContact O-N 2.76Å; N26-R29 WeakPolarHBondContact O-CB 3.45Å; N26-R29 PolarHBondContact O-N 3.37Å; K27-R29 VanDerWaalsContact C-N 3.31Å; R29-S31 PolarHBondContact O-N 3.48Å |
| 30 | E | 55.5 | Low | 59.6 | Low | 161 Ų | 161 | 118.8 Ų | 118.8 | 75% | 0.752 | 59% | 0.589 | S | S | * | * | | | trans | -58 | 109.2 | 169.5 | -71.9 | -174.8 | 179.8 | 0 | 0 | 109.2 | K28 N32 | K28-E30 PolarHBondContact O-N 3Å; E30-N32 PolarHBondContact O-N 2.97Å; E30-N32 PolarHBondContact OE2-ND2 3.07Å |
| 31 | S | 56.5 | Low | 58.5 | Low | 83 Ų | 83 | 118.7 Ų | 118.7 | 58% | 0.58 | 60% | 0.595 | S | S | * | * | | | trans | -78.1 | 62.1 | 178.9 | 62 | 0 | 0 | 0 | 0 | 110.3 | R29 C33 | R29-S31 PolarHBondContact O-N 3.48Å; S31-C33 PolarHBondContact O-N 3.4Å |
| 32 | N | 51.6 | Low | 57.7 | Low | 140 Ų | 140 | 121 Ų | 121 | 75% | 0.749 | 62% | 0.617 | S | S | * | * | | | trans | -76.8 | 27.5 | 172.4 | -77 | -35.7 | 0 | 0 | 0 | 112.4 | E30 | E30-N32 PolarHBondContact O-N 2.97Å; E30-N32 PolarHBondContact OE2-ND2 3.07Å |
| 33 | C | 48.7 | Very low | 56.9 | Low | 59 Ų | 59 | 123.6 Ų | 123.6 | 40% | 0.399 | 63% | 0.631 | S | S | . | * | | | trans | -101.8 | 110.1 | 169.7 | -173 | 0 | 0 | 0 | 0 | 108.4 | S31 V35 E36 | S31-C33 PolarHBondContact O-N 3.4Å; C33-V35 PolarHBondContact O-N 3.35Å; C33-E36 PolarHBondContact O-N 3.19Å; C33-E36 VanDerWaalsContact O-N 3.12Å |
| 34 | L | 49.8 | Very low | 56.1 | Low | 132 Ų | 132 | 124.5 Ų | 124.5 | 69% | 0.691 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -12.7 | 179.9 | -68.1 | 168.1 | 0 | 0 | 0 | 114 | | |
| 35 | V | 50.8 | Low | 55.3 | Low | 134 Ų | 134 | 131.8 Ų | 131.8 | 81% | 0.812 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -23.8 | -178.7 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | C33 | C33-V35 PolarHBondContact O-N 3.35Š|
| 36 | E | 52.9 | Low | 54.4 | Low | 111 Ų | 111 | 133.4 Ų | 133.4 | 52% | 0.519 | 68% | 0.676 | S | S | . | * | | | trans | -106.4 | 38.7 | -174.2 | -64.2 | -174.2 | 171.8 | 0 | 0 | 112.6 | C33 S38 | C33-E36 PolarHBondContact O-N 3.19Å; C33-E36 VanDerWaalsContact O-N 3.12Å; E36-S38 PolarHBondContact O-N 3.44Å; E36-S38 VanDerWaalsContact O-N 3.15Å |
| 37 | R | 48.2 | Very low | 53.8 | Low | 208 Ų | 208 | 135.4 Ų | 135.4 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | | | trans | -69.4 | -4.4 | -178.1 | -91.9 | -174.1 | 174.8 | 132.9 | -4.3 | 115.7 | | |
| 38 | S | 51 | Low | 52.8 | Low | 76 Ų | 76 | 136.7 Ų | 136.7 | 53% | 0.531 | 69% | 0.689 | S | S | . | * | | | trans | -114.6 | 109.6 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 111 | E36 Q40 | E36-S38 PolarHBondContact O-N 3.44Å; E36-S38 VanDerWaalsContact O-N 3.15Å; S38-Q40 PolarHBondContact O-N 3.22Å |
| 39 | N | 55.1 | Low | 52.2 | Low | 160 Ų | 160 | 137 Ų | 137 | 86% | 0.856 | 69% | 0.685 | S | S | * | * | | | trans | -79.5 | 9 | 176.4 | -118 | -16.5 | 0 | 0 | 0 | 113.2 | V41 | N39-V41 PolarHBondContact O-N 2.99Š|
| 40 | Q | 51.9 | Low | 51.5 | Low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 70% | 0.703 | S | S | * | * | | | trans | -82.5 | 16.2 | 179 | -70 | -157.6 | -3.2 | 0 | 0 | 114.2 | S38 S42 | S38-Q40 PolarHBondContact O-N 3.22Å; Q40-S42 PolarHBondContact O-N 2.89Å |
| 41 | V | 48.3 | Very low | 51.2 | Low | 98 Ų | 98 | 138.7 Ų | 138.7 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | | | trans | -94.7 | 91.4 | 172.1 | -159.1 | 0 | 0 | 0 | 0 | 107.6 | N39 L43 | N39-V41 PolarHBondContact O-N 2.99Å; V41-L43 PolarHBondContact O-N 3.37Å |
| 42 | S | 52.9 | Low | 51 | Low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -62.1 | -3.5 | -179.2 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | Q40 | Q40-S42 PolarHBondContact O-N 2.89Š|
| 43 | L | 52.3 | Low | 51.1 | Low | 143 Ų | 143 | 139.9 Ų | 139.9 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -135.9 | 88.5 | 177.1 | -65.3 | 171.3 | 0 | 0 | 0 | 108.9 | V41 R45 | V41-L43 PolarHBondContact O-N 3.37Å; L43-R45 PolarHBondContact O-N 3.41Å |
| 44 | L | 53.3 | Low | 51.2 | Low | 107 Ų | 107 | 140.8 Ų | 140.8 | 56% | 0.56 | 72% | 0.724 | S | S | * | * | | | trans | -52.5 | 111.9 | 161.7 | -71.6 | 166.2 | 0 | 0 | 0 | 107.4 | N26 V46 | N26-L44 WeakPolarHBondContact ND2-CD1 3.45Å; L44-V46 PolarHBondContact O-N 2.98Å; L44-V46 VanDerWaalsContact O-N 3.13Å |
| 45 | R | 51.9 | Low | 51.1 | Low | 235 Ų | 235 | 139.6 Ų | 139.6 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | | | trans | -49.7 | 125.4 | 170.3 | -141.1 | -179.4 | -159.8 | 135.8 | 1.8 | 106.2 | L43 Q47 | L43-R45 PolarHBondContact O-N 3.41Å; R45-Q47 PolarHBondContact O-N 2.85Å |
| 46 | V | 51.1 | Low | 51.1 | Low | 127 Ų | 127 | 141.7 Ų | 141.7 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | | | trans | -52.8 | 105.1 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 106.8 | L44 K48 | L44-V46 PolarHBondContact O-N 2.98Å; L44-V46 VanDerWaalsContact O-N 3.13Å; V46-K48 PolarHBondContact O-N 3.35Å |
| 47 | Q | 51.6 | Low | 50.9 | Low | 109 Ų | 109 | 140.7 Ų | 140.7 | 51% | 0.509 | 73% | 0.732 | S | S | . | * | | | trans | -61.1 | 117 | 173.8 | -79.7 | -174.8 | -16.2 | 0 | 0 | 104.7 | R45 R49 | R45-Q47 PolarHBondContact O-N 2.85Å; Q47-R49 PolarHBondContact O-N 2.87Å |
| 48 | K | 47.8 | Very low | 51.1 | Low | 200 Ų | 200 | 140.1 Ų | 140.1 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | | | trans | -65.8 | 65.9 | -178.5 | -155 | -176.2 | -170.5 | -175.6 | 0 | 108.6 | V46 H50 | V46-K48 PolarHBondContact O-N 3.35Å; K48-H50 PolarHBondContact O-N 3.27Å |
| 49 | R | 51.9 | Low | 51 | Low | 165 Ų | 165 | 141.7 Ų | 141.7 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | | | trans | -63.8 | 134.7 | 167.1 | -69.4 | -167.6 | 177.8 | -157.9 | -0.1 | 105.3 | Q47 F51 | Q47-R49 PolarHBondContact O-N 2.87Å; R49-F51 HydrophobicContact CB-CD2 3.64Å; R49-F51 HydrophobicContact CB-CE2 3.81Å; R49-F51 PolarHBondContact O-N 2.76Å |
| 50 | H | 48.6 | Very low | 50.8 | Low | 190 Ų | 190 | 142 Ų | 142 | 88% | 0.88 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -63.2 | 64.1 | -179.1 | -62.2 | -90.2 | 0 | 0 | 0 | 111.5 | K48 | K48-H50 PolarHBondContact O-N 3.27Š|
| 51 | F | 48.3 | Very low | 50.6 | Low | 139 Ų | 139 | 138.9 Ų | 138.9 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | | | trans | -102 | 108.2 | 169.6 | -76.7 | -76.3 | 0 | 0 | 0 | 106.7 | R49 S53 A54 | R49-F51 HydrophobicContact CB-CD2 3.64Å; R49-F51 HydrophobicContact CB-CE2 3.81Å; R49-F51 PolarHBondContact O-N 2.76Å; F51-S53 PolarHBondContact O-N 3.32Å; F51-S53 VanDerWaalsContact O-N 3.09Å; F51-A54 HydrophobicContact CB-CB 4.42Å |
| 52 | P | 53.1 | Low | 50.8 | Low | 137 Ų | 137 | 138.8 Ų | 138.8 | 89% | 0.89 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -15.1 | -174.8 | -20.2 | 31.7 | 0 | 0 | 0 | 113.9 | | |
| 53 | S | 52.8 | Low | 50.8 | Low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 1.5 | -165 | 57.2 | 0 | 0 | 0 | 0 | 116.3 | F51 | F51-S53 PolarHBondContact O-N 3.32Å; F51-S53 VanDerWaalsContact O-N 3.09Å |
| 54 | A | 50.7 | Low | 51.1 | Low | 78 Ų | 78 | 141.8 Ų | 141.8 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | | | trans | -105.6 | 6.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | F51 | F51-A54 HydrophobicContact CB-CB 4.42Š|
| 55 | C | 47.4 | Very low | 51.3 | Low | 107 Ų | 107 | 145 Ų | 145 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | | | trans | -110.6 | 63.7 | 177.8 | -73.9 | 0 | 0 | 0 | 0 | 111.8 | S57 | C55-S57 VanDerWaalsContact C-N 3.29Š|
| 56 | Q | 51 | Low | 51.7 | Low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | trans | -97.6 | 69.4 | 146.1 | -73.1 | -174.8 | 5.3 | 0 | 0 | 107 | F58 | Q56-F58 PolarHBondContact O-N 3.43Å; Q56-F58 VanDerWaalsContact O-N 3.12Å |
| 57 | S | 50.1 | Low | 52.3 | Low | 90 Ų | 90 | 141.2 Ų | 141.2 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | | | trans | -65.1 | 109.8 | 160.7 | 51.6 | 0 | 0 | 0 | 0 | 105.7 | C55 T59 | C55-S57 VanDerWaalsContact C-N 3.29Å; S57-T59 VanDerWaalsContact C-N 3.28Å; S57-T59 PolarHBondContact O-N 3.05Å |
| 58 | F | 52.2 | Low | 52.9 | Low | 196 Ų | 196 | 141.5 Ų | 141.5 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | -52.3 | 96.7 | 168.7 | -100 | -99.1 | 0 | 0 | 0 | 108.3 | Q56 H60 | Q56-F58 PolarHBondContact O-N 3.43Å; Q56-F58 VanDerWaalsContact O-N 3.12Å; F58-H60 PolarHBondContact O-N 2.66Å |
| 59 | T | 49.4 | Very low | 53.8 | Low | 109 Ų | 109 | 136.3 Ų | 136.3 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | | | trans | -75.2 | 85.6 | 166.5 | 44.4 | 0 | 0 | 0 | 0 | 106.1 | S57 T61 | S57-T59 VanDerWaalsContact C-N 3.28Å; S57-T59 PolarHBondContact O-N 3.05Å; T59-T61 PolarHBondContact O-N 2.86Å |
| 60 | H | 50.1 | Low | 54.7 | Low | 166 Ų | 166 | 134.2 Ų | 134.2 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | -69.6 | 79.7 | 158.9 | -147.9 | -73.1 | 0 | 0 | 0 | 106.3 | F58 T62 | F58-H60 PolarHBondContact O-N 2.66Å; H60-T62 VanDerWaalsContact C-N 3.26Å; H60-T62 PolarHBondContact O-N 3.47Å |
| 61 | T | 48.1 | Very low | 55.9 | Low | 115 Ų | 115 | 126.8 Ų | 126.8 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | trans | -68.5 | 90.9 | 171.7 | 40.1 | 0 | 0 | 0 | 0 | 107 | T59 T63 | T59-T61 PolarHBondContact O-N 2.86Å; T61-T63 PolarHBondContact O-N 3.41Å |
| 62 | T | 52 | Low | 56.8 | Low | 95 Ų | 95 | 132.1 Ų | 132.1 | 58% | 0.583 | 74% | 0.741 | S | S | * | * | | | trans | -64.6 | 117.4 | 155.2 | 50.8 | 0 | 0 | 0 | 0 | 105.9 | H60 K64 | H60-T62 VanDerWaalsContact C-N 3.26Å; H60-T62 PolarHBondContact O-N 3.47Å; T62-K64 PolarHBondContact O-N 3.37Å |
| 63 | T | 52.9 | Low | 57.5 | Low | 148 Ų | 148 | 128.5 Ų | 128.5 | 91% | 0.908 | 72% | 0.719 | S | S | * | * | | | trans | -60.7 | 89.9 | 170.4 | 16.3 | 0 | 0 | 0 | 0 | 107.7 | T61 | T61-T63 PolarHBondContact O-N 3.41Š|
| 64 | K | 59.1 | Low | 58.2 | Low | 175 Ų | 175 | 125.9 Ų | 125.9 | 76% | 0.761 | 70% | 0.701 | S | S | * | * | | | trans | -78.1 | 138.1 | 164.3 | -69.6 | -80.6 | 179.9 | 176.6 | 0 | 107 | T62 | T62-K64 PolarHBondContact O-N 3.37Š|
| 65 | E | 57.3 | Low | 58.7 | Low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | | | trans | -50.2 | 143 | 174.2 | -82.8 | -177.8 | 144.4 | 0 | 0 | 111 | I67 | E65-I67 PolarHBondContact O-N 2.93Š|
| 66 | P | 61.3 | Low | 59.6 | Low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | | | trans | -64.9 | 111.6 | -180 | 25.9 | -31.6 | 0 | 0 | 0 | 109.5 | | |
| 67 | I | 62.5 | Low | 60.3 | Low | 153 Ų | 153 | 134 Ų | 134 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | | | trans | -69.7 | 128.6 | 171 | -59.2 | 166.6 | 0 | 0 | 0 | 107 | E65 D69 | E65-I67 PolarHBondContact O-N 2.93Å; I67-D69 PolarHBondContact O-N 2.99Å |
| 68 | P | 65.5 | Low | 60.8 | Low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | | | trans | -62.6 | 127.5 | 177.9 | 21.9 | -29.6 | 0 | 0 | 0 | 110.4 | S70 | P68-S70 PolarHBondContact O-N 3.09Å; P68-S70 VanDerWaalsContact O-N 3.09Å |
| 69 | D | 66.4 | Low | 61.3 | Low | 91 Ų | 91 | 131.7 Ų | 131.7 | 49% | 0.487 | 70% | 0.704 | S | S | . | * | | | trans | -70 | 104 | -179.9 | -174.5 | 8 | 0 | 0 | 0 | 109.9 | I67 G71 S73 S74 | I67-D69 PolarHBondContact O-N 2.99Å; D69-G71 WeakPolarHBondContact OD1-CA 3.41Å; D69-G71 PolarHBondContact OD1-N 3.38Å; D69-S73 PolarHBondContact OD1-OG 2.95Å; D69-S73 VanDerWaalsContact OD2-CB 3.3Å; D69-S73 WeakPolarHBondContact OD2-CB 3.2Å; D69-S73 PolarHBondContact OD2-OG 3.42Å; D69-S74 WeakPolarHBondContact O-CB 3.21Å |
| 70 | S | 69.2 | Low | 61.7 | Low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | | | trans | -94.7 | 7.6 | 172.4 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | P68 | P68-S70 PolarHBondContact O-N 3.09Å; P68-S70 VanDerWaalsContact O-N 3.09Å |
| 71 | G | 73.8 | Confident | 61.9 | Low | 35 Ų | 35 | 133.9 Ų | 133.9 | 36% | 0.361 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -81.2 | -173.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D69 S73 S74 | D69-G71 WeakPolarHBondContact OD1-CA 3.41Å; D69-G71 PolarHBondContact OD1-N 3.38Å; G71-S73 PolarHBondContact O-N 3.1Å; G71-S74 WeakPolarHBondContact O-CB 3.32Å; G71-S74 PolarHBondContact O-N 2.94Å; G71-S74 PolarHBondContact O-OG 2.66Å |
| 72 | R | 69.2 | Low | 62.4 | Low | 250 Ų | 250 | 131.9 Ų | 131.9 | 94% | 0.943 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -20.6 | 176.6 | -69.1 | 179.7 | 176.3 | 169.1 | -1.8 | 113.5 | S74 | R72-S74 VanDerWaalsContact C-N 3.32Š|
| 73 | S | 66.3 | Low | 62.5 | Low | 61 Ų | 61 | 135.8 Ų | 135.8 | 43% | 0.427 | 72% | 0.722 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -6.6 | 174.7 | 41.7 | 0 | 0 | 0 | 0 | 113.9 | D69 G71 W75 V76 | D69-S73 PolarHBondContact OD1-OG 2.95Å; D69-S73 VanDerWaalsContact OD2-CB 3.3Å; D69-S73 WeakPolarHBondContact OD2-CB 3.2Å; D69-S73 PolarHBondContact OD2-OG 3.42Å; G71-S73 PolarHBondContact O-N 3.1Å; S73-W75 PolarHBondContact O-N 3.47Å; S73-W75 VanDerWaalsContact O-N 3.1Å; S73-V76 WeakPolarHBondContact O-CB 3.45Å; S73-V76 PolarHBondContact O-N 3.02Å |
| 74 | S | 67.4 | Low | 62.8 | Low | 57 Ų | 57 | 134.8 Ų | 134.8 | 40% | 0.399 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.5 | -27.8 | -179.3 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | D69 G71 R72 | D69-S74 WeakPolarHBondContact O-CB 3.21Å; G71-S74 WeakPolarHBondContact O-CB 3.32Å; G71-S74 PolarHBondContact O-N 2.94Å; G71-S74 PolarHBondContact O-OG 2.66Å; R72-S74 VanDerWaalsContact C-N 3.32Å |
| 75 | W | 62.3 | Low | 63.1 | Low | 236 Ų | 236 | 134.3 Ų | 134.3 | 89% | 0.894 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -10.1 | 178 | -62.1 | 94.3 | 0 | 0 | 0 | 113.8 | S73 K77 | S73-W75 PolarHBondContact O-N 3.47Å; S73-W75 VanDerWaalsContact O-N 3.1Å; W75-K77 PolarHBondContact O-N 3.24Å |
| 76 | V | 65.6 | Low | 63.5 | Low | 99 Ų | 99 | 137.3 Ų | 137.3 | 60% | 0.6 | 72% | 0.72 | S | S | * | * | | | trans | -81.2 | 91.1 | -179 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | S73 L78 | S73-V76 WeakPolarHBondContact O-CB 3.45Å; S73-V76 PolarHBondContact O-N 3.02Å; V76-L78 PolarHBondContact O-N 3.34Å |
| 77 | K | 65.1 | Low | 63.8 | Low | 197 Ų | 197 | 139.7 Ų | 139.7 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | | | trans | -67.4 | 102.8 | 162.4 | -89.1 | 179.9 | 177 | 175.1 | 0 | 107.8 | W75 S79 | W75-K77 PolarHBondContact O-N 3.24Å; K77-S79 PolarHBondContact O-N 3.48Å |
| 78 | L | 61.5 | Low | 64.5 | Low | 153 Ų | 153 | 141 Ų | 141 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | | | trans | -63.1 | 83.5 | 158.6 | -80.2 | 158.6 | 0 | 0 | 0 | 106.9 | V76 L80 | V76-L78 PolarHBondContact O-N 3.34Å; L78-L80 VanDerWaalsContact C-N 3.29Å; L78-L80 PolarHBondContact O-N 3.31Å |
| 79 | S | 62.5 | Low | 64.9 | Low | 86 Ų | 86 | 143.7 Ų | 143.7 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | | | trans | -62.5 | 99.2 | 170 | 56.5 | 0 | 0 | 0 | 0 | 106.9 | K77 L81 | K77-S79 PolarHBondContact O-N 3.48Å; S79-L81 PolarHBondContact O-N 3.46Å |
| 80 | L | 57.1 | Low | 65.3 | Low | 173 Ų | 173 | 144.5 Ų | 144.5 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | | | trans | -60.6 | -7.4 | 172.5 | -89.3 | 146.1 | 0 | 0 | 0 | 112.6 | L78 A82 | L78-L80 VanDerWaalsContact C-N 3.29Å; L78-L80 PolarHBondContact O-N 3.31Å; L80-A82 PolarHBondContact O-N 3.18Å |
| 81 | L | 55.2 | Low | 65.5 | Low | 147 Ų | 147 | 144.5 Ų | 144.5 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -91.3 | 96.6 | 172.2 | -112.3 | 87.9 | 0 | 0 | 0 | 111.7 | S79 H83 | S79-L81 PolarHBondContact O-N 3.46Å; L81-H83 PolarHBondContact O-N 3.1Å |
| 82 | A | 57.6 | Low | 65.5 | Low | 73 Ų | 73 | 152 Ų | 152 | 60% | 0.603 | 75% | 0.75 | S | S | * | * | | | | 50.1 | 65.1 | 118.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | L80 T84 | L80-A82 PolarHBondContact O-N 3.18Å; A82-T84 PolarHBondContact O-N 3.24Å; A82-T84 VanDerWaalsContact O-N 3.1Å |
| 83 | H | 53.9 | Low | 65.6 | Low | 178 Ų | 178 | 147 Ų | 147 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | | | trans | -75.2 | 85.6 | 142.8 | -83 | 68.5 | 0 | 0 | 0 | 107.2 | L81 E85 | L81-H83 PolarHBondContact O-N 3.1Å; H83-E85 PolarHBondContact O-N 2.85Å |
| 84 | T | 60.4 | Low | 65.6 | Low | 126 Ų | 126 | 150.4 Ų | 150.4 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -66.4 | 95.9 | 159.4 | 46.9 | 0 | 0 | 0 | 0 | 106.1 | A82 R86 | A82-T84 PolarHBondContact O-N 3.24Å; A82-T84 VanDerWaalsContact O-N 3.1Å; T84-R86 PolarHBondContact O-N 3.41Å |
| 85 | E | 64.7 | Low | 65.5 | Low | 165 Ų | 165 | 151.1 Ų | 151.1 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | trans | -46.5 | 130.4 | 169.7 | -66.2 | 178.8 | 171.9 | 0 | 0 | 108.4 | H83 K87 | H83-E85 PolarHBondContact O-N 2.85Å; E85-K87 PolarHBondContact O-N 3.49Å |
| 86 | R | 65.3 | Low | 65.6 | Low | 240 Ų | 240 | 146.3 Ų | 146.3 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | | | trans | -62.9 | 99.6 | 177.2 | -83.3 | -176.1 | 162 | -172.5 | -4.4 | 108.1 | T84 H88 | T84-R86 PolarHBondContact O-N 3.41Å; R86-H88 PolarHBondContact O-N 3.25Å |
| 87 | K | 69.3 | Low | 65.4 | Low | 177 Ų | 177 | 150.9 Ų | 150.9 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | -70.8 | 126.2 | 173.6 | -64.6 | -175.3 | -179.6 | -179.6 | 0 | 108.2 | E85 F89 | E85-K87 PolarHBondContact O-N 3.49Å; K87-F89 PolarHBondContact O-N 3.41Å |
| 88 | H | 75.8 | Confident | 64.5 | Low | 181 Ų | 181 | 148.9 Ų | 148.9 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -62.9 | -21.9 | 174.7 | -75.8 | -81 | 0 | 0 | 0 | 113 | R86 | R86-H88 PolarHBondContact O-N 3.25Š|
| 89 | F | 73.4 | Confident | 64.7 | Low | 172 Ų | 172 | 148.7 Ų | 148.7 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -115.9 | 139.9 | -178.4 | -60.1 | -75.1 | 0 | 0 | 0 | 110.6 | K87 | K87-F89 PolarHBondContact O-N 3.41Š|
| 90 | P | 76.1 | Confident | 64.8 | Low | 108 Ų | 108 | 151.9 Ų | 151.9 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 149.3 | 172.9 | 25.1 | -31.4 | 0 | 0 | 0 | 110.3 | K92 | P90-K92 PolarHBondContact O-N 3.11Š|
| 91 | P | 73.1 | Confident | 65.2 | Low | 121 Ų | 121 | 150.8 Ų | 150.8 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 128.4 | 175.3 | 23.1 | -30.4 | 0 | 0 | 0 | 109.5 | N93 | P91-N93 PolarHBondContact O-N 3.28Å; P91-N93 VanDerWaalsContact O-N 3.11Å |
| 92 | K | 73 | Confident | 65.8 | Low | 191 Ų | 191 | 151 Ų | 151 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 117.4 | 176.6 | -76.1 | -175.8 | 176.3 | -177.8 | 0 | 108.8 | P90 N94 | P90-K92 PolarHBondContact O-N 3.11Å; K92-N94 PolarHBondContact O-N 3.27Å |
| 93 | N | 71.8 | Confident | 66.3 | Low | 145 Ų | 145 | 155.9 Ų | 155.9 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | | | trans | -75.9 | 106 | 171.4 | -169.5 | 8.7 | 0 | 0 | 0 | 108.1 | P91 A95 | P91-N93 PolarHBondContact O-N 3.28Å; P91-N93 VanDerWaalsContact O-N 3.11Å; N93-A95 PolarHBondContact O-N 3.03Å |
| 94 | N | 66.5 | Low | 67.2 | Low | 134 Ų | 134 | 154.4 Ų | 154.4 | 72% | 0.717 | 82% | 0.823 | S | S | * | * | | | trans | -82.8 | 51.6 | 175.3 | -64.9 | -26 | 0 | 0 | 0 | 110.4 | K92 I96 | K92-N94 PolarHBondContact O-N 3.27Å; N94-I96 VanDerWaalsContact C-N 3.32Å; N94-I96 PolarHBondContact O-N 3.06Å |
| 95 | A | 65.8 | Low | 67.6 | Low | 71 Ų | 71 | 156.4 Ų | 156.4 | 59% | 0.587 | 83% | 0.827 | S | S | * | * | | | trans | -78 | 87.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | N93 F97 | N93-A95 PolarHBondContact O-N 3.03Å; A95-F97 VanDerWaalsContact C-N 3.28Å |
| 96 | I | 62.9 | Low | 67.9 | Low | 136 Ų | 136 | 155.8 Ų | 155.8 | 70% | 0.697 | 83% | 0.831 | S | S | * | * | | | trans | -85.2 | -5.3 | 178.5 | -46.5 | 175.8 | 0 | 0 | 0 | 111.1 | N94 | N94-I96 VanDerWaalsContact C-N 3.32Å; N94-I96 PolarHBondContact O-N 3.06Å |
| 97 | F | 61.7 | Low | 68.1 | Low | 195 Ų | 195 | 148.8 Ų | 148.8 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | | | trans | -127.7 | 108.9 | 176.3 | -58.5 | -75.1 | 0 | 0 | 0 | 108.9 | A95 | A95-F97 VanDerWaalsContact C-N 3.28Š|
| 98 | G | 47.6 | Very low | 68 | Low | 154 Ų | 154 | 146.2 Ų | 146.2 | 100% | 1.588 | 83% | 0.83 | S | S | * | * | | | trans | -98.7 | 0 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |