| 1 | M | 54 | Low | 74 | Confident | 214 Ų | 214 | 118.7 Ų | 118.7 | 100% | 1.054 | 62% | 0.622 | S | S | * | * | | | | 0 | 101.1 | 0 | -72.4 | -179.9 | 169.3 | 0 | 0 | 110.4 | G3 V4 | M1-G3 PolarHBondContact O-N 3.49Å; M1-V4 HydrophobicContact CB-CG2 4.14Å |
| 2 | P | 56 | Low | 75.4 | Confident | 141 Ų | 141 | 120.5 Ų | 120.5 | 92% | 0.916 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -2.1 | -177.3 | -15.4 | 30.2 | 0 | 0 | 0 | 115.9 | | |
| 3 | G | 63.6 | Low | 76.7 | Confident | 41 Ų | 41 | 116.3 Ų | 116.3 | 42% | 0.423 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.8 | -2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | M1 P6 | M1-G3 PolarHBondContact O-N 3.49Å; G3-P6 VanDerWaalsContact O-CD 3.31Å; G3-P6 WeakPolarHBondContact O-CD 3.45Å; G3-P6 WeakPolarHBondContact O-CG 3.38Å |
| 4 | V | 62.5 | Low | 77.8 | Confident | 78 Ų | 78 | 116.5 Ų | 116.5 | 47% | 0.473 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -78.5 | -32.8 | -171.1 | -175.6 | 0 | 0 | 0 | 0 | 112.7 | M1 I7 V8 | M1-V4 HydrophobicContact CB-CG2 4.14Å; V4-I7 PolarHBondContact O-N 3.37Å; V4-V8 HydrophobicContact CG1-CG2 4.07Å; V4-V8 WeakPolarHBondContact O-CG2 3.2Å; V4-V8 PolarHBondContact O-N 3.32Å; V4-V8 VanDerWaalsContact O-N 3.09Å |
| 5 | K | 68.4 | Low | 78.7 | Confident | 183 Ų | 183 | 118.4 Ų | 118.4 | 80% | 0.796 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.5 | -47.1 | -179.4 | -68.2 | -176 | 179.7 | 179.1 | 0 | 114 | I7 K9 | K5-I7 VanDerWaalsContact C-N 3.35Å; K5-I7 PolarHBondContact O-N 3.27Å; K5-K9 PolarHBondContact O-N 3.31Å |
| 6 | P | 78.8 | Confident | 79.5 | Confident | 80 Ų | 80 | 117.9 Ų | 117.9 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.6 | -36.6 | 178 | 21.5 | -31 | 0 | 0 | 0 | 112.7 | G3 K9 Y10 | G3-P6 VanDerWaalsContact O-CD 3.31Å; G3-P6 WeakPolarHBondContact O-CD 3.45Å; G3-P6 WeakPolarHBondContact O-CG 3.38Å; P6-K9 PolarHBondContact O-N 3.4Å; P6-Y10 WeakPolarHBondContact O-CB 3.2Å; P6-Y10 PolarHBondContact O-N 3.36Å |
| 7 | I | 81.4 | Confident | 80.1 | Confident | 100 Ų | 100 | 114.9 Ų | 114.9 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -45.1 | 179.5 | -61.8 | 170.5 | 0 | 0 | 0 | 110.8 | V4 K5 K9 Y10 M11 | V4-I7 PolarHBondContact O-N 3.37Å; K5-I7 VanDerWaalsContact C-N 3.35Å; K5-I7 PolarHBondContact O-N 3.27Å; I7-K9 VanDerWaalsContact C-N 3.32Å; I7-K9 PolarHBondContact O-N 3.42Å; I7-Y10 PolarHBondContact O-N 3.21Å; I7-M11 HydrophobicContact CG2-CG 4.41Å; I7-M11 VanDerWaalsContact O-CG 3.31Å; I7-M11 WeakPolarHBondContact O-CG 3.31Å; I7-M11 PolarHBondContact O-N 3.22Å |
| 8 | V | 82.8 | Confident | 80.7 | Confident | 72 Ų | 72 | 114.9 Ų | 114.9 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.6 | -38.9 | 178.1 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | V4 K12 | V4-V8 HydrophobicContact CG1-CG2 4.07Å; V4-V8 WeakPolarHBondContact O-CG2 3.2Å; V4-V8 PolarHBondContact O-N 3.32Å; V4-V8 VanDerWaalsContact O-N 3.09Å; V8-K12 WeakPolarHBondContact O-CG 3.22Å; V8-K12 PolarHBondContact O-N 3.48Å; V8-K12 VanDerWaalsContact O-N 3.11Å |
| 9 | K | 86.8 | Confident | 81 | Confident | 152 Ų | 152 | 113.4 Ų | 113.4 | 66% | 0.661 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.5 | -47.1 | 175.5 | -173.6 | 177.4 | -179.9 | -179.5 | 0 | 111.2 | K5 P6 I7 M11 K12 C13 | K5-K9 PolarHBondContact O-N 3.31Å; P6-K9 PolarHBondContact O-N 3.4Å; I7-K9 VanDerWaalsContact C-N 3.32Å; I7-K9 PolarHBondContact O-N 3.42Å; K9-M11 PolarHBondContact O-N 3.27Å; K9-K12 PolarHBondContact O-N 3.46Å; K9-C13 PolarHBondContact O-N 3.47Å; K9-C13 VanDerWaalsContact O-N 3.09Å; K9-C13 PolarHBondContact O-SG 3.14Å; K9-C13 VanDerWaalsContact O-SG 3.37Å |
| 10 | Y | 89.3 | Confident | 81.2 | Confident | 150 Ų | 150 | 112.2 Ų | 112.2 | 59% | 0.588 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -57.5 | -48.5 | 177 | 177.8 | -93.2 | 0 | 0 | 0 | 111.7 | P6 I7 K12 C13 Y14 | P6-Y10 WeakPolarHBondContact O-CB 3.2Å; P6-Y10 PolarHBondContact O-N 3.36Å; I7-Y10 PolarHBondContact O-N 3.21Å; Y10-K12 VanDerWaalsContact C-N 3.32Å; Y10-K12 PolarHBondContact O-N 3.2Å; Y10-C13 PolarHBondContact O-N 3.02Å; Y10-Y14 WeakPolarHBondContact O-CB 3.4Å; Y10-Y14 PolarHBondContact O-N 3.13Å |
| 11 | M | 90.7 | Very high | 81.4 | Confident | 95 Ų | 95 | 114.4 Ų | 114.4 | 47% | 0.468 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.2 | -36.1 | -179.2 | -69.7 | -63.6 | 162.4 | 0 | 0 | 112.8 | I7 K9 K15 | I7-M11 HydrophobicContact CG2-CG 4.41Å; I7-M11 VanDerWaalsContact O-CG 3.31Å; I7-M11 WeakPolarHBondContact O-CG 3.31Å; I7-M11 PolarHBondContact O-N 3.22Å; K9-M11 PolarHBondContact O-N 3.27Å; M11-K15 WeakPolarHBondContact O-CG 3.45Å; M11-K15 PolarHBondContact O-N 2.97Å; M11-K15 VanDerWaalsContact O-N 3.11Å |
| 12 | K | 90.4 | Very high | 82.9 | Confident | 140 Ų | 140 | 108.9 Ų | 108.9 | 61% | 0.609 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.7 | -48.1 | 173.3 | -74.5 | 179.5 | 179.7 | -173.7 | 0 | 111.4 | V8 K9 Y10 Y14 K15 I16 | V8-K12 WeakPolarHBondContact O-CG 3.22Å; V8-K12 PolarHBondContact O-N 3.48Å; V8-K12 VanDerWaalsContact O-N 3.11Å; K9-K12 PolarHBondContact O-N 3.46Å; Y10-K12 VanDerWaalsContact C-N 3.32Å; Y10-K12 PolarHBondContact O-N 3.2Å; K12-Y14 PolarHBondContact O-N 3.5Å; K12-K15 PolarHBondContact O-N 3.05Å; K12-I16 WeakPolarHBondContact O-CG1 3.44Å; K12-I16 PolarHBondContact O-N 3.17Å |
| 13 | C | 92 | Very high | 84.1 | Confident | 66 Ų | 66 | 105.2 Ų | 105.2 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 177.8 | -65.4 | 0 | 0 | 0 | 0 | 112 | K9 Y10 K15 I16 V17 | K9-C13 PolarHBondContact O-N 3.47Å; K9-C13 VanDerWaalsContact O-N 3.09Å; K9-C13 PolarHBondContact O-SG 3.14Å; K9-C13 VanDerWaalsContact O-SG 3.37Å; Y10-C13 PolarHBondContact O-N 3.02Å; C13-K15 PolarHBondContact O-N 2.98Å; C13-I16 PolarHBondContact O-N 3.39Å; C13-V17 WeakPolarHBondContact O-CG2 3.34Å; C13-V17 PolarHBondContact O-N 3.13Å |
| 14 | Y | 92.9 | Very high | 84.3 | Confident | 119 Ų | 119 | 112.5 Ų | 112.5 | 47% | 0.467 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.8 | -46.1 | 176.9 | 174.6 | -96.5 | 0 | 0 | 0 | 112 | Y10 K12 I16 V17 K18 | Y10-Y14 WeakPolarHBondContact O-CB 3.4Å; Y10-Y14 PolarHBondContact O-N 3.13Å; K12-Y14 PolarHBondContact O-N 3.5Å; Y14-I16 VanDerWaalsContact C-N 3.32Å; Y14-I16 PolarHBondContact O-N 2.85Å; Y14-V17 PolarHBondContact O-N 2.84Å; Y14-K18 HydrophobicContact CE1-CD 4.15Å; Y14-K18 WeakPolarHBondContact O-CB 3.37Å; Y14-K18 PolarHBondContact O-N 3.43Å |
| 15 | K | 91.6 | Very high | 85.1 | Confident | 145 Ų | 145 | 117.7 Ų | 117.7 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.8 | -41.7 | 177.5 | -74.9 | -180 | -179.3 | -173.1 | 0 | 112.1 | M11 K12 C13 K18 V19 | M11-K15 WeakPolarHBondContact O-CG 3.45Å; M11-K15 PolarHBondContact O-N 2.97Å; M11-K15 VanDerWaalsContact O-N 3.11Å; K12-K15 PolarHBondContact O-N 3.05Å; C13-K15 PolarHBondContact O-N 2.98Å; K15-K18 PolarHBondContact O-N 3.4Å; K15-V19 WeakPolarHBondContact O-CG2 3.31Å; K15-V19 PolarHBondContact O-N 3.4Å |
| 16 | I | 91 | Very high | 85.9 | Confident | 110 Ų | 110 | 112.3 Ų | 112.3 | 56% | 0.564 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.6 | -50 | 177.8 | -64.8 | 165.1 | 0 | 0 | 0 | 110.5 | K12 C13 Y14 K18 V19 V20 | K12-I16 WeakPolarHBondContact O-CG1 3.44Å; K12-I16 PolarHBondContact O-N 3.17Å; C13-I16 PolarHBondContact O-N 3.39Å; Y14-I16 VanDerWaalsContact C-N 3.32Å; Y14-I16 PolarHBondContact O-N 2.85Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-K18 PolarHBondContact O-N 2.89Å; I16-V19 PolarHBondContact O-N 3.32Å; I16-V20 HydrophobicContact CG2-CG2 4.44Å; I16-V20 WeakPolarHBondContact O-CG2 3.46Å; I16-V20 PolarHBondContact O-N 3.25Å |
| 17 | V | 89.1 | Confident | 86 | Confident | 67 Ų | 67 | 115.8 Ų | 115.8 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.3 | -39.4 | 179.3 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | C13 Y14 R21 | C13-V17 WeakPolarHBondContact O-CG2 3.34Å; C13-V17 PolarHBondContact O-N 3.13Å; Y14-V17 PolarHBondContact O-N 2.84Å; V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 VanDerWaalsContact O-CG 3.31Å; V17-R21 WeakPolarHBondContact O-CG 3.33Å; V17-R21 PolarHBondContact O-N 2.98Å; V17-R21 VanDerWaalsContact O-N 3.11Å |
| 18 | K | 91 | Very high | 86.1 | Confident | 115 Ų | 115 | 114.9 Ų | 114.9 | 50% | 0.5 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61 | -51.7 | 176.3 | -171.3 | 173.8 | -178.6 | 176 | 0 | 110.7 | Y14 K15 I16 V20 R21 T22 | Y14-K18 HydrophobicContact CE1-CD 4.15Å; Y14-K18 WeakPolarHBondContact O-CB 3.37Å; Y14-K18 PolarHBondContact O-N 3.43Å; K15-K18 PolarHBondContact O-N 3.4Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-K18 PolarHBondContact O-N 2.89Å; K18-V20 PolarHBondContact O-N 3.38Å; K18-R21 PolarHBondContact O-N 3.36Å; K18-R21 VanDerWaalsContact O-N 3.13Å; K18-T22 HydrophobicContact CG-CG2 4.34Å; K18-T22 WeakPolarHBondContact O-CG2 3.48Å; K18-T22 PolarHBondContact O-N 3.03Å; K18-T22 PolarHBondContact O-OG1 3.24Å |
| 19 | V | 87.6 | Confident | 86.3 | Confident | 86 Ų | 86 | 120 Ų | 120 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -56.8 | -50 | 178.2 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | K15 I16 R21 T22 T23 | K15-V19 WeakPolarHBondContact O-CG2 3.31Å; K15-V19 PolarHBondContact O-N 3.4Å; I16-V19 PolarHBondContact O-N 3.32Å; V19-R21 PolarHBondContact O-N 3.11Å; V19-R21 VanDerWaalsContact O-N 3.17Å; V19-T22 CarbonylContact O-C 3.59Å; V19-T22 PolarHBondContact O-N 3.22Å; V19-T23 HydrophobicContact CG1-CG2 3.8Å; V19-T23 VanDerWaalsContact O-CG2 3.22Å; V19-T23 WeakPolarHBondContact O-CG2 3.35Å; V19-T23 PolarHBondContact O-N 3.43Å; V19-T23 PolarHBondContact O-OG1 2.98Å |
| 20 | V | 85.1 | Confident | 86.2 | Confident | 89 Ų | 89 | 118.1 Ų | 118.1 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.5 | -31.2 | -179.8 | 172.7 | 0 | 0 | 0 | 0 | 112.7 | I16 K18 T23 | I16-V20 HydrophobicContact CG2-CG2 4.44Å; I16-V20 WeakPolarHBondContact O-CG2 3.46Å; I16-V20 PolarHBondContact O-N 3.25Å; K18-V20 PolarHBondContact O-N 3.38Å; V20-T23 PolarHBondContact O-OG1 3.36Å |
| 21 | R | 85.6 | Confident | 86 | Confident | 159 Ų | 159 | 115.9 Ų | 115.9 | 60% | 0.6 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -87.5 | -15.8 | 178.6 | -69.5 | -178.2 | -178.8 | -179.7 | 4.4 | 114 | V17 K18 V19 P26 | V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 VanDerWaalsContact O-CG 3.31Å; V17-R21 WeakPolarHBondContact O-CG 3.33Å; V17-R21 PolarHBondContact O-N 2.98Å; V17-R21 VanDerWaalsContact O-N 3.11Å; K18-R21 PolarHBondContact O-N 3.36Å; K18-R21 VanDerWaalsContact O-N 3.13Å; V19-R21 PolarHBondContact O-N 3.11Å; V19-R21 VanDerWaalsContact O-N 3.17Å; R21-P26 WeakPolarHBondContact O-CB 3.31Å |
| 22 | T | 84.9 | Confident | 85.6 | Confident | 99 Ų | 99 | 118.6 Ų | 118.6 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -117.3 | -3 | -176.8 | 64.7 | 0 | 0 | 0 | 0 | 114.2 | K18 V19 | K18-T22 HydrophobicContact CG-CG2 4.34Å; K18-T22 WeakPolarHBondContact O-CG2 3.48Å; K18-T22 PolarHBondContact O-N 3.03Å; K18-T22 PolarHBondContact O-OG1 3.24Å; V19-T22 CarbonylContact O-C 3.59Å; V19-T22 PolarHBondContact O-N 3.22Å |
| 23 | T | 79.8 | Confident | 85.2 | Confident | 64 Ų | 64 | 117 Ų | 117 | 39% | 0.393 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -59.9 | 156.9 | 171.9 | 41.7 | 0 | 0 | 0 | 0 | 110.8 | V19 V20 K25 P26 | V19-T23 HydrophobicContact CG1-CG2 3.8Å; V19-T23 VanDerWaalsContact O-CG2 3.22Å; V19-T23 WeakPolarHBondContact O-CG2 3.35Å; V19-T23 PolarHBondContact O-N 3.43Å; V19-T23 PolarHBondContact O-OG1 2.98Å; V20-T23 PolarHBondContact O-OG1 3.36Å; T23-K25 PolarHBondContact O-N 3.11Å; T23-P26 WeakPolarHBondContact O-CD 3.38Å |
| 24 | E | 68.3 | Low | 84.5 | Confident | 194 Ų | 194 | 120.7 Ų | 120.7 | 91% | 0.907 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -52.2 | -20.7 | -173.1 | -64.5 | -177.6 | 160.7 | 0 | 0 | 115.2 | | |
| 25 | K | 80.6 | Confident | 83.3 | Confident | 187 Ų | 187 | 123.9 Ų | 123.9 | 81% | 0.813 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -125.8 | 72 | 176 | -61.4 | -178.7 | -177.1 | 179.6 | 0 | 110.2 | T23 | T23-K25 PolarHBondContact O-N 3.11Š|
| 26 | P | 83.5 | Confident | 81.7 | Confident | 70 Ų | 70 | 122.5 Ų | 122.5 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | | | trans | -69 | 142.3 | 177.2 | 31.4 | -30.9 | 0 | 0 | 0 | 108.9 | R21 T23 P28 | R21-P26 WeakPolarHBondContact O-CB 3.31Å; T23-P26 WeakPolarHBondContact O-CD 3.38Å; P26-P28 WeakPolarHBondContact O-CD 3.42Å |
| 27 | I | 82.3 | Confident | 79.9 | Confident | 152 Ų | 152 | 123.3 Ų | 123.3 | 78% | 0.779 | 65% | 0.653 | S | S | * | * | | | trans | -75.2 | 112.7 | 174.2 | -59.9 | 172.2 | 0 | 0 | 0 | 107.4 | K29 | I27-K29 PolarHBondContact O-N 3.42Š|
| 28 | P | 83.6 | Confident | 78 | Confident | 82 Ų | 82 | 128.3 Ų | 128.3 | 53% | 0.532 | 68% | 0.678 | S | S | . | * | | | trans | -67.6 | 136.1 | 177.9 | 29 | -33.3 | 0 | 0 | 0 | 109.2 | P26 V31 | P26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-V31 HydrophobicContact CB-CG2 3.96Å; P28-V31 HydrophobicContact CG-CG2 3.61Å |
| 29 | K | 86.7 | Confident | 76.2 | Confident | 180 Ų | 180 | 132.1 Ų | 132.1 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -76.6 | -32.1 | 173.5 | -70.3 | -175.8 | 176.7 | -176.9 | 0 | 112.2 | I27 | I27-K29 PolarHBondContact O-N 3.42Š|
| 30 | V | 84.6 | Confident | 74.5 | Confident | 111 Ų | 111 | 136.9 Ų | 136.9 | 67% | 0.673 | 71% | 0.711 | S | S | * | * | | | trans | -137.7 | 128.7 | -178.5 | -178.8 | 0 | 0 | 0 | 0 | 105.8 | L32 | V30-L32 HydrophobicContact CG1-CD2 4.23Å; V30-L32 HydrophobicContact CG1-CG 4.34Å |
| 31 | V | 84.4 | Confident | 72.7 | Confident | 103 Ų | 103 | 141.5 Ų | 141.5 | 62% | 0.624 | 73% | 0.727 | S | S | * | * | | | trans | -110.3 | 111.3 | 169.6 | -179.5 | 0 | 0 | 0 | 0 | 104.8 | P28 T33 | P28-V31 HydrophobicContact CB-CG2 3.96Å; P28-V31 HydrophobicContact CG-CG2 3.61Å; V31-T33 HydrophobicContact CG1-CG2 4.43Å; V31-T33 PolarHBondContact O-N 3.3Å |
| 32 | L | 83.1 | Confident | 71.1 | Confident | 152 Ų | 152 | 140.5 Ų | 140.5 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | | | trans | -79.9 | 116.2 | 171.6 | -68.1 | 171.6 | 0 | 0 | 0 | 106.9 | V30 | V30-L32 HydrophobicContact CG1-CD2 4.23Å; V30-L32 HydrophobicContact CG1-CG 4.34Å |
| 33 | T | 82.2 | Confident | 69.3 | Low | 108 Ų | 108 | 141.5 Ų | 141.5 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | | | trans | -97.3 | 116.3 | 167.4 | 49.8 | 0 | 0 | 0 | 0 | 106.9 | V31 E35 | V31-T33 HydrophobicContact CG1-CG2 4.43Å; V31-T33 PolarHBondContact O-N 3.3Å; T33-E35 PolarHBondContact O-N 2.95Å; T33-E35 VanDerWaalsContact O-N 3.13Å |
| 34 | D | 77.6 | Confident | 67.7 | Low | 143 Ų | 143 | 147.4 Ų | 147.4 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | | | trans | -69.3 | 108.7 | 174.7 | -68.7 | -36.7 | 0 | 0 | 0 | 108.9 | T36 | D34-T36 PolarHBondContact O-N 3.35Š|
| 35 | E | 66.6 | Low | 66.6 | Low | 185 Ų | 185 | 147 Ų | 147 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | trans | -78.1 | 36.1 | 174.3 | -66 | -172.2 | 146.8 | 0 | 0 | 112.2 | T33 | T33-E35 PolarHBondContact O-N 2.95Å; T33-E35 VanDerWaalsContact O-N 3.13Å |
| 36 | T | 58.1 | Low | 65 | Low | 116 Ų | 116 | 144.1 Ų | 144.1 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | | | trans | -117.1 | 47.1 | -172.9 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | D34 | D34-T36 PolarHBondContact O-N 3.35Š|
| 37 | T | 52.9 | Low | 63.4 | Low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -159.5 | 75.7 | 157 | -48.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 38 | N | 50.6 | Low | 61.9 | Low | 172 Ų | 172 | 145.4 Ų | 145.4 | 92% | 0.92 | 77% | 0.771 | S | S | * | * | | | trans | -152.9 | 44.5 | 159.5 | -93.3 | -43 | 0 | 0 | 0 | 110 | K40 | N38-K40 PolarHBondContact O-N 3.11Š|
| 39 | E | 53.1 | Low | 60.4 | Low | 195 Ų | 195 | 147.2 Ų | 147.2 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -83.7 | 98 | 158.8 | -76.8 | -168.6 | 144.8 | 0 | 0 | 108.1 | E41 | E39-E41 PolarHBondContact O-N 3.3Š|
| 40 | K | 51.1 | Low | 58.8 | Low | 186 Ų | 186 | 147 Ų | 147 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | | | trans | 22.9 | 87.2 | 156.7 | -73.2 | 179.2 | 174.4 | 179 | 0 | 116.5 | N38 I42 | N38-K40 PolarHBondContact O-N 3.11Å; K40-I42 HydrophobicContact CB-CG1 4.09Å |
| 41 | E | 47.9 | Very low | 57.6 | Low | 186 Ų | 186 | 150.7 Ų | 150.7 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -92.9 | 102.1 | 147.5 | -153.9 | 173.8 | -179.2 | 0 | 0 | 107.4 | E39 T43 | E39-E41 PolarHBondContact O-N 3.3Å; E41-T43 PolarHBondContact O-N 3.46Å |
| 42 | I | 50.8 | Low | 56 | Low | 137 Ų | 137 | 152.5 Ų | 152.5 | 70% | 0.703 | 79% | 0.793 | S | S | * | * | | | trans | -88.1 | 103.6 | -178.8 | -38.3 | 165.8 | 0 | 0 | 0 | 106.2 | K40 | K40-I42 HydrophobicContact CB-CG1 4.09Š|
| 43 | T | 46.6 | Very low | 54.6 | Low | 121 Ų | 121 | 153.1 Ų | 153.1 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | -133.5 | 101.8 | 161.3 | -12.9 | 0 | 0 | 0 | 0 | 107.8 | E41 E45 | E41-T43 PolarHBondContact O-N 3.46Å; T43-E45 PolarHBondContact O-N 2.85Å; T43-E45 VanDerWaalsContact O-N 3.14Å |
| 44 | E | 46.8 | Very low | 52.9 | Low | 187 Ų | 187 | 156.1 Ų | 156.1 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -62.1 | 105.3 | 171.7 | -69.5 | 179.4 | 135.3 | 0 | 0 | 109.5 | | |
| 45 | E | 46.2 | Very low | 51.5 | Low | 185 Ų | 185 | 155.6 Ų | 155.6 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -130 | 90.6 | 157.5 | -146.9 | 179.8 | 159.1 | 0 | 0 | 109.4 | T43 T47 | T43-E45 PolarHBondContact O-N 2.85Å; T43-E45 VanDerWaalsContact O-N 3.14Å; E45-T47 PolarHBondContact O-N 3.18Å |
| 46 | T | 46 | Very low | 51 | Low | 127 Ų | 127 | 155.4 Ų | 155.4 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -65 | 114.8 | 175.2 | 34.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 47 | T | 49.7 | Very low | 50.6 | Low | 127 Ų | 127 | 156 Ų | 156 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -137.3 | 92.1 | 150.4 | 37.8 | 0 | 0 | 0 | 0 | 110.5 | E45 V49 | E45-T47 PolarHBondContact O-N 3.18Å; T47-V49 PolarHBondContact O-N 3.49Å |
| 48 | V | 51.8 | Low | 50.8 | Low | 122 Ų | 122 | 154.5 Ų | 154.5 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | | | trans | -78.7 | 100.9 | 170.8 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | K50 | V48-K50 HydrophobicContact CG1-CG 4.14Å; V48-K50 PolarHBondContact O-N 3.09Å |
| 49 | V | 50.8 | Low | 50.9 | Low | 120 Ų | 120 | 154.9 Ų | 154.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -93.9 | 90.5 | 167.7 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | T47 K51 | T47-V49 PolarHBondContact O-N 3.49Å; V49-K51 HydrophobicContact CG1-CG 4.39Å; V49-K51 PolarHBondContact O-N 3.09Å |
| 50 | K | 53.8 | Low | 50.8 | Low | 175 Ų | 175 | 154.7 Ų | 154.7 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | | | trans | -67 | 107.5 | 165.8 | -83.4 | 179.7 | 178.1 | 177.5 | 0 | 108.9 | V48 | V48-K50 HydrophobicContact CG1-CG 4.14Å; V48-K50 PolarHBondContact O-N 3.09Å |
| 51 | K | 58.8 | Low | 51 | Low | 190 Ų | 190 | 155.2 Ų | 155.2 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -94.8 | 99.4 | 159.5 | -78 | -172.1 | 178.3 | 179 | 0 | 108.5 | V49 N53 | V49-K51 HydrophobicContact CG1-CG 4.39Å; V49-K51 PolarHBondContact O-N 3.09Å; K51-N53 PolarHBondContact O-N 3.49Å |
| 52 | N | 50.8 | Low | 51.5 | Low | 141 Ų | 141 | 156 Ų | 156 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | trans | -70.1 | 118.6 | 165.8 | -58.4 | -15.5 | 0 | 0 | 0 | 107.5 | | |
| 53 | N | 54.1 | Low | 51.8 | Low | 165 Ų | 165 | 156.2 Ų | 156.2 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -132.6 | 91 | 162.2 | -129 | 23.7 | 0 | 0 | 0 | 107.8 | K51 | K51-N53 PolarHBondContact O-N 3.49Š|
| 54 | E | 47.4 | Very low | 52.6 | Low | 170 Ų | 170 | 159.6 Ų | 159.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | | | trans | -57.4 | 148.1 | 160.5 | -92.5 | 179.8 | 112.6 | 0 | 0 | 110.1 | | |
| 55 | T | 48.7 | Very low | 52.9 | Low | 133 Ų | 133 | 157.6 Ų | 157.6 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | | 152.5 | 97.6 | 123.2 | -50.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 56 | K | 55.7 | Low | 53.9 | Low | 180 Ų | 180 | 158.6 Ų | 158.6 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | | 93.7 | 131.2 | 71.2 | -118 | -171.8 | -170.9 | -179.7 | 0 | 114.9 | | |
| 57 | V | 50.2 | Low | 54.4 | Low | 128 Ų | 128 | 158.8 Ų | 158.8 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | 70 | 141.7 | 157.2 | -117.4 | 0 | 0 | 0 | 0 | 117 | | |
| 58 | S | 55.5 | Low | 54.8 | Low | 98 Ų | 98 | 158.9 Ų | 158.9 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | cis | -167.9 | 155.4 | 27.5 | 41.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 59 | E | 53.2 | Low | 54.9 | Low | 179 Ų | 179 | 161.1 Ų | 161.1 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | 14.6 | 140.3 | 153.1 | -73.9 | 167.3 | 120.9 | 0 | 0 | 120.1 | | |
| 60 | E | 50.6 | Low | 55.1 | Low | 192 Ų | 192 | 164 Ų | 164 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | | | | -171.7 | 155.2 | 66.2 | -152 | 173.7 | 121.6 | 0 | 0 | 111.2 | | |
| 61 | K | 56.8 | Low | 55 | Low | 197 Ų | 197 | 160.3 Ų | 160.3 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -79.9 | 152.9 | -167.4 | -58 | -177.6 | 177.3 | -177.9 | 0 | 114.8 | | |
| 62 | K | 57.9 | Low | 54.7 | Low | 203 Ų | 203 | 157.3 Ų | 157.3 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | | -162.9 | 135.6 | 126.9 | -129 | 175.5 | -179.8 | 179.8 | 0 | 114.1 | | |
| 63 | D | 57.4 | Low | 55.1 | Low | 140 Ų | 140 | 158.4 Ų | 158.4 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | | | trans | -47.9 | 155.3 | 174.8 | -62.6 | -83.5 | 0 | 0 | 0 | 115.5 | | |
| 64 | E | 62 | Low | 55.2 | Low | 192 Ų | 192 | 162 Ų | 162 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | | -178.8 | 123.4 | 97.8 | -156 | 159.9 | -173.9 | 0 | 0 | 111.2 | | |
| 65 | D | 54.3 | Low | 56 | Low | 146 Ų | 146 | 160.4 Ų | 160.4 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | | | trans | -56.7 | 133.4 | 178.2 | -69.1 | -58.2 | 0 | 0 | 0 | 113.7 | | |
| 66 | K | 66.9 | Low | 56.1 | Low | 205 Ų | 205 | 159.9 Ų | 159.9 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | -146.6 | 96.6 | 143.1 | -73.9 | -150.5 | 177.9 | -168.2 | 0 | 111.1 | | |
| 67 | N | 55.7 | Low | 56.5 | Low | 131 Ų | 131 | 161.1 Ų | 161.1 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | trans | -76.9 | 130.6 | 160.5 | -176.4 | 6.6 | 0 | 0 | 0 | 109.2 | | |
| 68 | T | 58.5 | Low | 56.8 | Low | 130 Ų | 130 | 161.4 Ų | 161.4 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | | | trans | -152.7 | 100.2 | 153.6 | -52.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 69 | E | 53.3 | Low | 56.7 | Low | 169 Ų | 169 | 163.4 Ų | 163.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -73.8 | 135.1 | 164.4 | -71.1 | 178.4 | 134.2 | 0 | 0 | 111 | | |
| 70 | E | 54.8 | Low | 56.8 | Low | 180 Ų | 180 | 162.2 Ų | 162.2 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | | | trans | -164.2 | 103.2 | 150.4 | -139.9 | 179.5 | 133.2 | 0 | 0 | 107.1 | | |
| 71 | S | 53.3 | Low | 56.7 | Low | 97 Ų | 97 | 161.7 Ų | 161.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | | 39.7 | 118.5 | 91.8 | -159.7 | 0 | 0 | 0 | 0 | 112 | | |
| 72 | T | 52.3 | Low | 56.7 | Low | 127 Ų | 127 | 159.5 Ų | 159.5 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | | -175.7 | 152.4 | 53.5 | -24.4 | 0 | 0 | 0 | 0 | 104.6 | | |
| 73 | E | 58 | Low | 56.4 | Low | 164 Ų | 164 | 155.4 Ų | 155.4 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | | 173.9 | 124.7 | 91.2 | -165.1 | 169.2 | -153.7 | 0 | 0 | 107.6 | I75 | E73-I75 HydrophobicContact CG-CG1 4.41Š|
| 74 | R | 56.8 | Low | 56.6 | Low | 242 Ų | 242 | 157.1 Ų | 157.1 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | | | trans | -85.4 | 116.2 | 174.8 | -67.6 | 177.1 | 179.7 | 177.4 | -0.4 | 107.8 | | |
| 75 | I | 63.8 | Low | 56.4 | Low | 136 Ų | 136 | 153.2 Ų | 153.2 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | | | trans | -113 | 105.1 | 167.6 | -54.8 | 175.6 | 0 | 0 | 0 | 108.1 | E73 K77 | E73-I75 HydrophobicContact CG-CG1 4.41Å; I75-K77 PolarHBondContact O-N 3.29Å |
| 76 | T | 52.3 | Low | 57.1 | Low | 122 Ų | 122 | 152.2 Ų | 152.2 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -68.7 | 114 | 169.5 | -37.7 | 0 | 0 | 0 | 0 | 108.1 | D78 | T76-D78 VanDerWaalsContact C-N 3.35Å; T76-D78 PolarHBondContact O-N 2.93Å |
| 77 | K | 62.3 | Low | 57 | Low | 205 Ų | 205 | 148.4 Ų | 148.4 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | | | trans | -86.5 | 86 | 165.3 | -88.6 | -175.5 | 176.8 | 179.4 | 0 | 108.2 | I75 | I75-K77 PolarHBondContact O-N 3.29Š|
| 78 | D | 56.7 | Low | 57.4 | Low | 134 Ų | 134 | 148 Ų | 148 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | | | trans | -70.9 | 153.9 | 154.6 | -134.9 | -37.3 | 0 | 0 | 0 | 108.8 | T76 | T76-D78 VanDerWaalsContact C-N 3.35Å; T76-D78 PolarHBondContact O-N 2.93Å |
| 79 | E | 54.7 | Low | 57.9 | Low | 140 Ų | 140 | 147.4 Ų | 147.4 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | | | trans | 87.7 | 100.2 | 147.8 | -138.3 | 162.9 | 163 | 0 | 0 | 120.3 | | |
| 80 | Q | 54.3 | Low | 58.6 | Low | 155 Ų | 155 | 148.2 Ų | 148.2 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | | | trans | 90.6 | 108.6 | 134 | -75.6 | 165.8 | 19.8 | 0 | 0 | 120.4 | | |
| 81 | Q | 47.6 | Very low | 58.7 | Low | 180 Ų | 180 | 147.8 Ų | 147.8 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | | | trans | -47.6 | 133.4 | 153.7 | -67 | 170.2 | 24.4 | 0 | 0 | 111.4 | | |
| 82 | I | 57.1 | Low | 58.8 | Low | 151 Ų | 151 | 152.6 Ų | 152.6 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | | | trans | -127.6 | 100.5 | 152.7 | -52.3 | 177.2 | 0 | 0 | 0 | 106.4 | E84 | I82-E84 HydrophobicContact CG2-CG 4.18Š|
| 83 | T | 53.2 | Low | 59.1 | Low | 118 Ų | 118 | 154.8 Ų | 154.8 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | | | trans | -88 | 99.9 | 165.9 | 12.5 | 0 | 0 | 0 | 0 | 107.8 | S85 | T83-S85 PolarHBondContact O-N 3.37Š|
| 84 | E | 61 | Low | 58.8 | Low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | trans | -81.2 | 104.9 | 164.8 | -75 | -175 | 157.9 | 0 | 0 | 108.8 | I82 | I82-E84 HydrophobicContact CG2-CG 4.18Š|
| 85 | S | 58.3 | Low | 59.2 | Low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -87.7 | 107.2 | 170 | -60.3 | 0 | 0 | 0 | 0 | 108.6 | T83 | T83-S85 PolarHBondContact O-N 3.37Š|
| 86 | T | 67.9 | Low | 58.5 | Low | 125 Ų | 125 | 146.6 Ų | 146.6 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | trans | -91.7 | 103.9 | 170.2 | -42.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 87 | T | 65.1 | Low | 59.1 | Low | 125 Ų | 125 | 146.6 Ų | 146.6 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | -86.2 | 117.5 | 169.4 | -53.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 88 | T | 63.9 | Low | 59 | Low | 124 Ų | 124 | 147.2 Ų | 147.2 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | | | trans | -95.9 | 114.3 | 169.3 | -53.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 89 | T | 68.1 | Low | 59.2 | Low | 116 Ų | 116 | 147.9 Ų | 147.9 | 71% | 0.712 | 80% | 0.804 | S | S | * | * | | | trans | -72.8 | 121.5 | 171.3 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | E91 | T89-E91 PolarHBondContact O-N 3.3Š|
| 90 | E | 68.1 | Low | 59.4 | Low | 186 Ų | 186 | 148.3 Ų | 148.3 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | | | trans | -71.8 | 110.4 | 162.2 | -71.3 | -169.1 | 146.3 | 0 | 0 | 108.3 | F92 | E90-F92 PolarHBondContact O-N 3.2Š|
| 91 | E | 56.8 | Low | 59.7 | Low | 172 Ų | 172 | 147.9 Ų | 147.9 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -70.4 | 108.8 | 163 | -90.4 | -173.8 | 147.7 | 0 | 0 | 108.7 | T89 M93 | T89-E91 PolarHBondContact O-N 3.3Å; E91-M93 PolarHBondContact O-N 3.26Å |
| 92 | F | 56 | Low | 60.4 | Low | 198 Ų | 198 | 146.1 Ų | 146.1 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | | | trans | -67.4 | 104.3 | 168.5 | -165.5 | -92.9 | 0 | 0 | 0 | 109 | E90 | E90-F92 PolarHBondContact O-N 3.2Š|
| 93 | M | 58.5 | Low | 60.6 | Low | 173 Ų | 173 | 145.8 Ų | 145.8 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | | | trans | -133.5 | 103.3 | 170 | -79.4 | -165.9 | 68.9 | 0 | 0 | 110.3 | E91 | E91-M93 PolarHBondContact O-N 3.26Š|
| 94 | G | 52 | Low | 61.1 | Low | 53 Ų | 53 | 147.6 Ų | 147.6 | 55% | 0.546 | 82% | 0.824 | S | S | . | * | | | trans | 167.9 | 106.8 | 165 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 95 | P | 65.8 | Low | 61.1 | Low | 126 Ų | 126 | 145.6 Ų | 145.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 147.3 | 175.6 | 32 | -32 | 0 | 0 | 0 | 110.8 | | |
| 96 | E | 49.7 | Very low | 61.3 | Low | 191 Ų | 191 | 148.4 Ų | 148.4 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 136.5 | 167 | -69.3 | -179.8 | 149.7 | 0 | 0 | 111.1 | | |
| 97 | P | 65 | Low | 60.8 | Low | 122 Ų | 122 | 150.3 Ų | 150.3 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 125.6 | 150.4 | 31.5 | -24.8 | 0 | 0 | 0 | 110 | | |
| 98 | V | 60 | Low | 60.4 | Low | 218 Ų | 218 | 152.6 Ų | 152.6 | 100% | 1.321 | 84% | 0.84 | S | S | * | * | | | trans | -10.4 | 0 | 165.2 | -167.7 | 0 | 0 | 0 | 0 | 117.3 | | |