| 1 | M | 58.3 | Low | 82.2 | Confident | 217 Ų | 217 | 139.2 Ų | 139.2 | 100% | 1.069 | 64% | 0.638 | S | S | * | * | | | | 0 | -0.5 | 0 | -123.2 | 77.6 | 162.8 | 0 | 0 | 114.8 | H5 | M1-H5 PolarHBondContact O-CD2 3.3Å; M1-H5 VanDerWaalsContact O-CD2 3.28Å |
| 2 | T | 71.1 | Confident | 83.2 | Confident | 95 Ų | 95 | 134.9 Ų | 134.9 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | | | trans | -99.3 | -23.7 | -167.4 | 49.9 | 0 | 0 | 0 | 0 | 115.5 | R4 H5 H6 | T2-R4 VanDerWaalsContact C-N 3.31Å; T2-R4 PolarHBondContact O-N 2.83Å; T2-H5 WeakPolarHBondContact O-CB 3.21Å; T2-H5 PolarHBondContact O-N 3.3Å; T2-H6 PolarHBondContact O-CD2 3.35Å; T2-H6 PolarHBondContact O-N 3.34Å |
| 3 | W | 69.6 | Low | 84.1 | Confident | 200 Ų | 200 | 131.2 Ų | 131.2 | 76% | 0.758 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -54.6 | -41.5 | -175.4 | -170.5 | -109.2 | 0 | 0 | 0 | 114.1 | H5 H6 V7 | W3-H5 PolarHBondContact O-N 3.24Å; W3-H6 PolarHBondContact O-N 2.95Å; W3-V7 WeakPolarHBondContact O-CG2 3.49Å; W3-V7 PolarHBondContact O-N 3.2Å; W3-V7 VanDerWaalsContact O-N 3.07Å |
| 4 | R | 78.6 | Confident | 84.8 | Confident | 194 Ų | 194 | 126.3 Ų | 126.3 | 73% | 0.732 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.1 | -29.7 | 178.6 | -65.6 | -176.1 | 177.6 | 178.2 | -0.7 | 112.8 | T2 R8 | T2-R4 VanDerWaalsContact C-N 3.31Å; T2-R4 PolarHBondContact O-N 2.83Å; R4-R8 WeakPolarHBondContact O-CB 3.36Å; R4-R8 VanDerWaalsContact O-CG 3.25Å; R4-R8 WeakPolarHBondContact O-CG 3.34Å; R4-R8 PolarHBondContact O-N 3.31Å |
| 5 | H | 81.9 | Confident | 85.4 | Confident | 117 Ų | 117 | 123.3 Ų | 123.3 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -75.6 | -39.1 | 177.7 | -61.4 | -81 | 0 | 0 | 0 | 111 | M1 T2 W3 R8 L9 | M1-H5 PolarHBondContact O-CD2 3.3Å; M1-H5 VanDerWaalsContact O-CD2 3.28Å; T2-H5 WeakPolarHBondContact O-CB 3.21Å; T2-H5 PolarHBondContact O-N 3.3Å; W3-H5 PolarHBondContact O-N 3.24Å; H5-R8 PolarHBondContact O-N 3.06Å; H5-L9 VanDerWaalsContact O-CB 3.26Å; H5-L9 WeakPolarHBondContact O-CB 3.47Å; H5-L9 PolarHBondContact O-N 2.86Å |
| 6 | H | 86.9 | Confident | 85.9 | Confident | 102 Ų | 102 | 118.4 Ų | 118.4 | 47% | 0.472 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.1 | -44.9 | 174.9 | -63.9 | -68 | 0 | 0 | 0 | 111.8 | T2 W3 R8 L9 L10 | T2-H6 PolarHBondContact O-CD2 3.35Å; T2-H6 PolarHBondContact O-N 3.34Å; W3-H6 PolarHBondContact O-N 2.95Å; H6-R8 PolarHBondContact O-N 3Å; H6-L9 PolarHBondContact O-N 2.89Å; H6-L10 WeakPolarHBondContact O-CB 3.44Å; H6-L10 VanDerWaalsContact O-CG 3.27Å; H6-L10 WeakPolarHBondContact O-CG 3.33Å; H6-L10 PolarHBondContact O-N 2.86Å |
| 7 | V | 90.4 | Very high | 86.2 | Confident | 76 Ų | 76 | 117.4 Ų | 117.4 | 46% | 0.461 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.8 | -43.2 | 178.3 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | W3 F11 | W3-V7 WeakPolarHBondContact O-CG2 3.49Å; W3-V7 PolarHBondContact O-N 3.2Å; W3-V7 VanDerWaalsContact O-N 3.07Å; V7-F11 WeakPolarHBondContact O-CB 3.41Å; V7-F11 PolarHBondContact O-N 3.17Å |
| 8 | R | 88.8 | Confident | 86.4 | Confident | 170 Ų | 170 | 117.8 Ų | 117.8 | 64% | 0.642 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.6 | -40.6 | 176.9 | -74.4 | 174 | 174.9 | 179.2 | -2.5 | 112.2 | R4 H5 H6 F11 T12 | R4-R8 WeakPolarHBondContact O-CB 3.36Å; R4-R8 VanDerWaalsContact O-CG 3.25Å; R4-R8 WeakPolarHBondContact O-CG 3.34Å; R4-R8 PolarHBondContact O-N 3.31Å; H5-R8 PolarHBondContact O-N 3.06Å; H6-R8 PolarHBondContact O-N 3Å; R8-F11 PolarHBondContact O-N 3.26Å; R8-T12 PolarHBondContact O-N 2.92Å; R8-T12 PolarHBondContact O-OG1 3.46Å |
| 9 | L | 91.6 | Very high | 86.4 | Confident | 107 Ų | 107 | 117.3 Ų | 117.3 | 56% | 0.56 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.1 | -48.7 | 178.4 | -175 | 140.9 | 0 | 0 | 0 | 110.8 | H5 H6 F11 T12 V13 | H5-L9 VanDerWaalsContact O-CB 3.26Å; H5-L9 WeakPolarHBondContact O-CB 3.47Å; H5-L9 PolarHBondContact O-N 2.86Å; H6-L9 PolarHBondContact O-N 2.89Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 3.37Å; L9-T12 PolarHBondContact O-N 2.86Å; L9-T12 VanDerWaalsContact O-N 3.13Å; L9-V13 HydrophobicContact CD2-CG2 4.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.43Å; L9-V13 PolarHBondContact O-N 2.84Å |
| 10 | L | 93.8 | Very high | 86.3 | Confident | 110 Ų | 110 | 116.3 Ų | 116.3 | 58% | 0.576 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.9 | -44.1 | 176.2 | -69.2 | 174.5 | 0 | 0 | 0 | 111.6 | H6 T12 V13 S14 | H6-L10 WeakPolarHBondContact O-CB 3.44Å; H6-L10 VanDerWaalsContact O-CG 3.27Å; H6-L10 WeakPolarHBondContact O-CG 3.33Å; H6-L10 PolarHBondContact O-N 2.86Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 PolarHBondContact O-N 3.38Å; L10-V13 PolarHBondContact O-N 2.97Å; L10-S14 WeakPolarHBondContact O-CB 3.43Å; L10-S14 PolarHBondContact O-N 3.4Å; L10-S14 PolarHBondContact O-OG 3.47Å; L10-S14 VanDerWaalsContact O-OG 3.09Å |
| 11 | F | 93.8 | Very high | 85.8 | Confident | 143 Ų | 143 | 115.2 Ų | 115.2 | 63% | 0.627 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.5 | -42.4 | 175.8 | -180 | -99.9 | 0 | 0 | 0 | 112.5 | V7 R8 L9 S14 L15 | V7-F11 WeakPolarHBondContact O-CB 3.41Å; V7-F11 PolarHBondContact O-N 3.17Å; R8-F11 PolarHBondContact O-N 3.26Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 3.37Å; F11-S14 PolarHBondContact O-N 3.42Å; F11-L15 WeakPolarHBondContact O-CB 3.22Å; F11-L15 PolarHBondContact O-N 3.15Å |
| 12 | T | 94.3 | Very high | 86.6 | Confident | 88 Ų | 88 | 110.9 Ų | 110.9 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.2 | -42.5 | 179.9 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | R8 L9 L10 L15 A16 | R8-T12 PolarHBondContact O-N 2.92Å; R8-T12 PolarHBondContact O-OG1 3.46Å; L9-T12 PolarHBondContact O-N 2.86Å; L9-T12 VanDerWaalsContact O-N 3.13Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 PolarHBondContact O-N 3.38Å; T12-L15 PolarHBondContact O-N 2.78Å; T12-A16 WeakPolarHBondContact O-CB 3.33Å; T12-A16 PolarHBondContact O-N 2.97Å |
| 13 | V | 94.7 | Very high | 86.5 | Confident | 86 Ų | 86 | 108.2 Ų | 108.2 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 176.6 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L9 L10 L15 A16 L17 | L9-V13 HydrophobicContact CD2-CG2 4.29Å; L9-V13 WeakPolarHBondContact O-CG2 3.43Å; L9-V13 PolarHBondContact O-N 2.84Å; L10-V13 PolarHBondContact O-N 2.97Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.09Å; V13-A16 PolarHBondContact O-N 3.12Å; V13-L17 WeakPolarHBondContact O-CB 3.27Å; V13-L17 PolarHBondContact O-N 3.46Å |
| 14 | S | 94.1 | Very high | 86.1 | Confident | 63 Ų | 63 | 103.2 Ų | 103.2 | 44% | 0.441 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 176.6 | -62.7 | 0 | 0 | 0 | 0 | 112.7 | L10 F11 Q18 | L10-S14 WeakPolarHBondContact O-CB 3.43Å; L10-S14 PolarHBondContact O-N 3.4Å; L10-S14 PolarHBondContact O-OG 3.47Å; L10-S14 VanDerWaalsContact O-OG 3.09Å; F11-S14 PolarHBondContact O-N 3.42Å; S14-Q18 WeakPolarHBondContact O-CG 2.99Å; S14-Q18 PolarHBondContact O-N 3.42Å; S14-Q18 VanDerWaalsContact O-N 3.12Å; S14-Q18 PolarHBondContact O-NE2 2.83Å; S14-Q18 VanDerWaalsContact O-NE2 3.14Å |
| 15 | L | 93.8 | Very high | 85.3 | Confident | 82 Ų | 82 | 97.2 Ų | 97.2 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.9 | -44 | 177.7 | -177.1 | 62.7 | 0 | 0 | 0 | 111.5 | F11 T12 V13 L17 Q18 I19 | F11-L15 WeakPolarHBondContact O-CB 3.22Å; F11-L15 PolarHBondContact O-N 3.15Å; T12-L15 PolarHBondContact O-N 2.78Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.09Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3.14Å; L15-Q18 PolarHBondContact O-N 3.03Å; L15-I19 HydrophobicContact CD1-CD1 4.3Å; L15-I19 HydrophobicContact CG-CD1 4.03Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.25Å |
| 16 | A | 93 | Very high | 84.2 | Confident | 45 Ų | 45 | 98.7 Ų | 98.7 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T12 V13 Q18 I19 I20 | T12-A16 WeakPolarHBondContact O-CB 3.33Å; T12-A16 PolarHBondContact O-N 2.97Å; V13-A16 PolarHBondContact O-N 3.12Å; A16-Q18 PolarHBondContact O-N 3.45Å; A16-I19 PolarHBondContact O-N 3.31Å; A16-I20 WeakPolarHBondContact O-CD1 3.3Å; A16-I20 VanDerWaalsContact O-CG1 3.27Å; A16-I20 WeakPolarHBondContact O-CG1 3.27Å; A16-I20 PolarHBondContact O-N 2.87Å |
| 17 | L | 91.1 | Very high | 82.8 | Confident | 101 Ų | 101 | 99.7 Ų | 99.7 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 178.8 | -166.8 | 62.4 | 0 | 0 | 0 | 112.3 | V13 L15 N21 | V13-L17 WeakPolarHBondContact O-CB 3.27Å; V13-L17 PolarHBondContact O-N 3.46Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3.14Å; L17-N21 WeakPolarHBondContact O-CB 3Å; L17-N21 PolarHBondContact O-N 3.48Å; L17-N21 PolarHBondContact O-ND2 2.88Å |
| 18 | Q | 89.9 | Confident | 81.2 | Confident | 125 Ų | 125 | 102.6 Ų | 102.6 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 174.3 | -76.9 | 171.7 | 70.8 | 0 | 0 | 112.1 | S14 L15 A16 I20 N21 L22 | S14-Q18 WeakPolarHBondContact O-CG 2.99Å; S14-Q18 PolarHBondContact O-N 3.42Å; S14-Q18 VanDerWaalsContact O-N 3.12Å; S14-Q18 PolarHBondContact O-NE2 2.83Å; S14-Q18 VanDerWaalsContact O-NE2 3.14Å; L15-Q18 PolarHBondContact O-N 3.03Å; A16-Q18 PolarHBondContact O-N 3.45Å; Q18-I20 PolarHBondContact O-N 3.41Å; Q18-N21 PolarHBondContact O-N 3.48Å; Q18-L22 WeakPolarHBondContact O-CB 3.2Å; Q18-L22 PolarHBondContact O-N 3.48Å |
| 19 | I | 85.6 | Confident | 79.7 | Confident | 108 Ų | 108 | 101.3 Ų | 101.3 | 55% | 0.554 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 179 | -66.2 | 166.3 | 0 | 0 | 0 | 111 | L15 A16 L22 G23 | L15-I19 HydrophobicContact CD1-CD1 4.3Å; L15-I19 HydrophobicContact CG-CD1 4.03Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.25Å; A16-I19 PolarHBondContact O-N 3.31Å; I19-L22 PolarHBondContact O-N 2.87Å; I19-G23 PolarHBondContact O-N 3.49Å |
| 20 | I | 85.3 | Confident | 78.2 | Confident | 96 Ų | 96 | 103.1 Ų | 103.1 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -46 | 177.9 | -66.9 | 164.2 | 0 | 0 | 0 | 110.9 | A16 Q18 L22 G23 N24 | A16-I20 WeakPolarHBondContact O-CD1 3.3Å; A16-I20 VanDerWaalsContact O-CG1 3.27Å; A16-I20 WeakPolarHBondContact O-CG1 3.27Å; A16-I20 PolarHBondContact O-N 2.87Å; Q18-I20 PolarHBondContact O-N 3.41Å; I20-L22 VanDerWaalsContact C-N 3.35Å; I20-L22 PolarHBondContact O-N 3.36Å; I20-G23 PolarHBondContact O-N 3.46Å; I20-N24 WeakPolarHBondContact O-CB 3.4Å; I20-N24 VanDerWaalsContact O-CG 3.26Å; I20-N24 PolarHBondContact O-N 2.92Å; I20-N24 PolarHBondContact O-ND2 2.92Å |
| 21 | N | 75.3 | Confident | 76.4 | Confident | 94 Ų | 94 | 103.1 Ų | 103.1 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 178 | -75.8 | -50.3 | 0 | 0 | 0 | 112.1 | L17 Q18 N24 S25 | L17-N21 WeakPolarHBondContact O-CB 3Å; L17-N21 PolarHBondContact O-N 3.48Å; L17-N21 PolarHBondContact O-ND2 2.88Å; Q18-N21 PolarHBondContact O-N 3.48Å; N21-N24 PolarHBondContact O-N 2.94Å; N21-S25 WeakPolarHBondContact O-CB 3.04Å; N21-S25 PolarHBondContact O-N 2.78Å |
| 22 | L | 74.4 | Confident | 74.5 | Confident | 127 Ų | 127 | 98 Ų | 98 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.2 | -39.7 | 176.8 | -165.8 | 65.9 | 0 | 0 | 0 | 111.4 | Q18 I19 I20 S25 Y26 | Q18-L22 WeakPolarHBondContact O-CB 3.2Å; Q18-L22 PolarHBondContact O-N 3.48Å; I19-L22 PolarHBondContact O-N 2.87Å; I20-L22 VanDerWaalsContact C-N 3.35Å; I20-L22 PolarHBondContact O-N 3.36Å; L22-S25 PolarHBondContact O-N 3.09Å; L22-Y26 VanDerWaalsContact O-CB 3.27Å; L22-Y26 WeakPolarHBondContact O-CB 3.14Å; L22-Y26 PolarHBondContact O-N 2.92Å |
| 23 | G | 68.8 | Low | 72.7 | Confident | 39 Ų | 39 | 97.3 Ų | 97.3 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | I19 I20 Y26 Q27 | I19-G23 PolarHBondContact O-N 3.49Å; I20-G23 PolarHBondContact O-N 3.46Å; G23-Y26 PolarHBondContact O-N 3.39Å; G23-Q27 WeakPolarHBondContact O-CB 3.47Å; G23-Q27 PolarHBondContact O-N 3.15Å |
| 24 | N | 61.9 | Low | 70.9 | Confident | 94 Ų | 94 | 96 Ų | 96 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.9 | -39.5 | 177.1 | -73.3 | -18.8 | 0 | 0 | 0 | 112.2 | I20 N21 R28 | I20-N24 WeakPolarHBondContact O-CB 3.4Å; I20-N24 VanDerWaalsContact O-CG 3.26Å; I20-N24 PolarHBondContact O-N 2.92Å; I20-N24 PolarHBondContact O-ND2 2.92Å; N21-N24 PolarHBondContact O-N 2.94Å; N24-R28 WeakPolarHBondContact O-CB 3.25Å; N24-R28 PolarHBondContact O-N 3.37Å |
| 25 | S | 61.8 | Low | 69.2 | Low | 69 Ų | 69 | 102.8 Ų | 102.8 | 48% | 0.483 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 174.8 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | N21 L22 R28 E29 | N21-S25 WeakPolarHBondContact O-CB 3.04Å; N21-S25 PolarHBondContact O-N 2.78Å; L22-S25 PolarHBondContact O-N 3.09Å; S25-R28 PolarHBondContact O-N 3.06Å; S25-E29 WeakPolarHBondContact O-CB 3.4Å; S25-E29 PolarHBondContact O-N 3.04Å |
| 26 | Y | 59.6 | Low | 67.3 | Low | 147 Ų | 147 | 101.3 Ų | 101.3 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.6 | -40.7 | 179.4 | -175.9 | -103.3 | 0 | 0 | 0 | 111.7 | L22 G23 E29 K30 | L22-Y26 VanDerWaalsContact O-CB 3.27Å; L22-Y26 WeakPolarHBondContact O-CB 3.14Å; L22-Y26 PolarHBondContact O-N 2.92Å; G23-Y26 PolarHBondContact O-N 3.39Å; Y26-E29 PolarHBondContact O-N 3.41Å; Y26-K30 HydrophobicContact CE1-CG 4.25Å; Y26-K30 VanDerWaalsContact CZ-CE 3.42Å; Y26-K30 WeakPolarHBondContact O-CG 3.49Å; Y26-K30 PolarHBondContact O-N 3.47Å; Y26-K30 VanDerWaalsContact O-N 3.15Å; Y26-K30 WeakPolarHBondContact OH-CE 3.27Å |
| 27 | Q | 57.3 | Low | 65.4 | Low | 123 Ų | 123 | 105.3 Ų | 105.3 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -43.8 | 175.1 | -156.1 | -155.6 | 25.6 | 0 | 0 | 110.7 | G23 E29 K30 H31 | G23-Q27 WeakPolarHBondContact O-CB 3.47Å; G23-Q27 PolarHBondContact O-N 3.15Å; Q27-E29 VanDerWaalsContact C-N 3.27Å; Q27-E29 PolarHBondContact O-N 3.25Å; Q27-K30 PolarHBondContact O-N 3.3Å; Q27-H31 PolarHBondContact O-CE1 3.13Å; Q27-H31 PolarHBondContact O-N 3.46Å; Q27-H31 VanDerWaalsContact O-N 3.13Å; Q27-H31 PolarHBondContact O-ND1 2.67Å |
| 28 | R | 55.7 | Low | 63.3 | Low | 137 Ų | 137 | 106 Ų | 106 | 52% | 0.517 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -56 | -41 | 175 | -163.6 | -179.6 | -176.1 | 160.7 | 0.4 | 112 | N24 S25 K30 H31 N32 E36 | N24-R28 WeakPolarHBondContact O-CB 3.25Å; N24-R28 PolarHBondContact O-N 3.37Å; S25-R28 PolarHBondContact O-N 3.06Å; R28-K30 VanDerWaalsContact C-N 3.33Å; R28-K30 PolarHBondContact O-N 2.69Å; R28-H31 WeakPolarHBondContact CA-CE1 3.46Å; R28-H31 PolarHBondContact O-N 3.38Å; R28-N32 WeakPolarHBondContact CG-ND2 3.35Å; R28-N32 VanDerWaalsContact O-CB 3.27Å; R28-N32 WeakPolarHBondContact O-CB 3.26Å; R28-N32 PolarHBondContact O-N 2.81Å; R28-N32 VanDerWaalsContact O-N 3.09Å; R28-N32 PolarHBondContact O-ND2 3.38Å; R28-E36 IonicContact CZ-OE1 3.63Å; R28-E36 IonicContact CZ-OE2 3.98Å; R28-E36 IonicContact NE-OE1 3.38Å; R28-E36 IonicContact NE-OE2 3.79Å; R28-E36 PolarHBondContact NE-OE2 3.31Å; R28-E36 IonicContact NH2-OE1 2.69Å; R28-E36 PolarHBondContact NH2-OE1 3.08Å; R28-E36 IonicContact NH2-OE2 3.7Å |
| 29 | E | 57.4 | Low | 61.4 | Low | 144 Ų | 144 | 103.8 Ų | 103.8 | 67% | 0.673 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.8 | -32.8 | 177.1 | -169 | 160.1 | 179.7 | 0 | 0 | 112.7 | S25 Y26 Q27 | S25-E29 WeakPolarHBondContact O-CB 3.4Å; S25-E29 PolarHBondContact O-N 3.04Å; Y26-E29 PolarHBondContact O-N 3.41Å; Q27-E29 VanDerWaalsContact C-N 3.27Å; Q27-E29 PolarHBondContact O-N 3.25Å |
| 30 | K | 60.5 | Low | 59.7 | Low | 145 Ų | 145 | 104.3 Ų | 104.3 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -78.9 | -18.8 | 177.4 | -63.9 | -59.6 | -178 | -171.7 | 0 | 114.9 | Y26 Q27 R28 | Y26-K30 HydrophobicContact CE1-CG 4.25Å; Y26-K30 VanDerWaalsContact CZ-CE 3.42Å; Y26-K30 WeakPolarHBondContact O-CG 3.49Å; Y26-K30 PolarHBondContact O-N 3.47Å; Y26-K30 VanDerWaalsContact O-N 3.15Å; Y26-K30 WeakPolarHBondContact OH-CE 3.27Å; Q27-K30 PolarHBondContact O-N 3.3Å; R28-K30 VanDerWaalsContact C-N 3.33Å; R28-K30 PolarHBondContact O-N 2.69Å |
| 31 | H | 55.5 | Low | 58 | Low | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.509 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -114.2 | -4.5 | -178.8 | 70.2 | -105.8 | 0 | 0 | 0 | 115.8 | Q27 R28 | Q27-H31 PolarHBondContact O-CE1 3.13Å; Q27-H31 PolarHBondContact O-N 3.46Å; Q27-H31 VanDerWaalsContact O-N 3.13Å; Q27-H31 PolarHBondContact O-ND1 2.67Å; R28-H31 WeakPolarHBondContact CA-CE1 3.46Å; R28-H31 PolarHBondContact O-N 3.38Å |
| 32 | N | 55.2 | Low | 57 | Low | 35 Ų | 35 | 105.3 Ų | 105.3 | 19% | 0.187 | 57% | 0.565 | C | S | . | * | | | trans | -108.5 | 7.5 | -176.3 | -70.5 | -63.1 | 0 | 0 | 0 | 116.3 | R28 G34 E36 | R28-N32 WeakPolarHBondContact CG-ND2 3.35Å; R28-N32 VanDerWaalsContact O-CB 3.27Å; R28-N32 WeakPolarHBondContact O-CB 3.26Å; R28-N32 PolarHBondContact O-N 2.81Å; R28-N32 VanDerWaalsContact O-N 3.09Å; R28-N32 PolarHBondContact O-ND2 3.38Å; N32-G34 PolarHBondContact O-N 3.23Å; N32-E36 HydrophobicContact CB-CB 4.17Å; N32-E36 VanDerWaalsContact CG-OE2 3.29Å |
| 33 | G | 56.3 | Low | 55.7 | Low | 74 Ų | 74 | 103 Ų | 103 | 76% | 0.763 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 21.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 34 | G | 56.2 | Low | 54.6 | Low | 58 Ų | 58 | 108.6 Ų | 108.6 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.3 | -7.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | N32 | N32-G34 PolarHBondContact O-N 3.23Š|
| 35 | R | 58.2 | Low | 53.9 | Low | 205 Ų | 205 | 114 Ų | 114 | 77% | 0.774 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | -13.3 | -178.2 | -165.5 | 177.9 | 168 | -148 | -3.5 | 114.8 | | |
| 36 | E | 54.8 | Low | 53.4 | Low | 51 Ų | 51 | 118.7 Ų | 118.7 | 24% | 0.238 | 60% | 0.604 | C | S | . | * | S | Bend | trans | -88.1 | -10 | -178.7 | -131.9 | -174.5 | 140.6 | 0 | 0 | 113.2 | R28 N32 K40 | R28-E36 IonicContact CZ-OE1 3.63Å; R28-E36 IonicContact CZ-OE2 3.98Å; R28-E36 IonicContact NE-OE1 3.38Å; R28-E36 IonicContact NE-OE2 3.79Å; R28-E36 PolarHBondContact NE-OE2 3.31Å; R28-E36 IonicContact NH2-OE1 2.69Å; R28-E36 PolarHBondContact NH2-OE1 3.08Å; R28-E36 IonicContact NH2-OE2 3.7Å; N32-E36 HydrophobicContact CB-CB 4.17Å; N32-E36 VanDerWaalsContact CG-OE2 3.29Å; E36-K40 WeakPolarHBondContact O-CD 3.27Å; E36-K40 WeakPolarHBondContact O-CE 3.39Å; E36-K40 WeakPolarHBondContact O-CG 3.43Å; E36-K40 IonicContact OE1-NZ 3.89Å |
| 37 | E | 52.4 | Low | 52.9 | Low | 129 Ų | 129 | 122.7 Ų | 122.7 | 60% | 0.603 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -85.3 | -34.8 | -175.1 | -40.9 | -173.3 | -138.5 | 0 | 0 | 112.1 | | |
| 38 | V | 46.4 | Very low | 52.7 | Low | 116 Ų | 116 | 125.2 Ų | 125.2 | 70% | 0.703 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -78.1 | -24.8 | -174.4 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 39 | T | 50.9 | Low | 51.9 | Low | 79 Ų | 79 | 123.7 Ų | 123.7 | 49% | 0.485 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -87.9 | -20.8 | 179.5 | -51.4 | 0 | 0 | 0 | 0 | 112.9 | V41 A42 T43 | T39-V41 VanDerWaalsContact C-N 3.31Å; T39-V41 PolarHBondContact O-N 3.3Å; T39-A42 PolarHBondContact O-N 3.48Å; T39-T43 WeakPolarHBondContact CG2-OG1 3.37Å; T39-T43 WeakPolarHBondContact O-CB 3.5Å; T39-T43 PolarHBondContact O-N 3.2Å; T39-T43 PolarHBondContact O-OG1 2.95Å; T39-T43 VanDerWaalsContact O-OG1 3.08Å |
| 40 | K | 50.5 | Low | 51.2 | Low | 119 Ų | 119 | 122.4 Ų | 122.4 | 52% | 0.517 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.5 | -29.1 | -179 | -72.2 | 168.1 | -171.3 | 168.1 | 0 | 112.9 | E36 | E36-K40 WeakPolarHBondContact O-CD 3.27Å; E36-K40 WeakPolarHBondContact O-CE 3.39Å; E36-K40 WeakPolarHBondContact O-CG 3.43Å; E36-K40 IonicContact OE1-NZ 3.89Å |
| 41 | V | 48.8 | Very low | 50.6 | Low | 131 Ų | 131 | 123.1 Ų | 123.1 | 79% | 0.794 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.6 | -32 | 175.3 | -179.4 | 0 | 0 | 0 | 0 | 112 | T39 | T39-V41 VanDerWaalsContact C-N 3.31Å; T39-V41 PolarHBondContact O-N 3.3Å |
| 42 | A | 53.4 | Low | 50.4 | Low | 80 Ų | 80 | 124 Ų | 124 | 66% | 0.661 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -88.4 | -19.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T39 | T39-A42 PolarHBondContact O-N 3.48Å |
| 43 | T | 49 | Very low | 49.9 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 49% | 0.485 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -108 | -5.4 | -173.7 | -46.4 | 0 | 0 | 0 | 0 | 114.3 | T39 K45 H46 | T39-T43 WeakPolarHBondContact CG2-OG1 3.37Å; T39-T43 WeakPolarHBondContact O-CB 3.5Å; T39-T43 PolarHBondContact O-N 3.2Å; T39-T43 PolarHBondContact O-OG1 2.95Å; T39-T43 VanDerWaalsContact O-OG1 3.08Å; T43-K45 PolarHBondContact O-N 3.07Å; T43-H46 PolarHBondContact O-N 3.26Å |
| 44 | Q | 45.1 | Very low | 49.1 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -64.3 | -22 | 173.8 | -172.8 | 174.2 | -15.4 | 0 | 0 | 113 | H46 | Q44-H46 VanDerWaalsContact C-N 3.25Å; Q44-H46 PolarHBondContact O-N 3.19Å |
| 45 | K | 47.5 | Very low | 48.9 | Very low | 208 Ų | 208 | 135.5 Ų | 135.5 | 90% | 0.904 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -71.3 | -10.1 | 175.7 | -96 | -105.4 | 179.2 | 175 | 0 | 114.8 | T43 | T43-K45 PolarHBondContact O-N 3.07Š|
| 46 | H | 51 | Low | 48.2 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 77% | 0.769 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -120.6 | 18.3 | -173.4 | -160.6 | -11.8 | 0 | 0 | 0 | 114.7 | T43 Q44 | T43-H46 PolarHBondContact O-N 3.26Å; Q44-H46 VanDerWaalsContact C-N 3.25Å; Q44-H46 PolarHBondContact O-N 3.19Å |
| 47 | R | 49.7 | Very low | 47.8 | Very low | 232 Ų | 232 | 135.2 Ų | 135.2 | 88% | 0.875 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -132.7 | 26.2 | 178 | -113.3 | -157.9 | -177.9 | -157.2 | 2.5 | 116.6 | | |
| 48 | Q | 51.6 | Low | 47.8 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | | | trans | -121.4 | 67.1 | 164 | -66.6 | -174.7 | -16.7 | 0 | 0 | 109.3 | | |
| 49 | S | 40.3 | Very low | 48.2 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | | | trans | -90.4 | 112.6 | 151.7 | -173.9 | 0 | 0 | 0 | 0 | 105.6 | L51 | S49-L51 PolarHBondContact O-N 3.28Å; S49-L51 VanDerWaalsContact O-N 3.08Å |
| 50 | P | 42.3 | Very low | 48.1 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | | | trans | -66.7 | 110.3 | 176.7 | -12.2 | 26.9 | 0 | 0 | 0 | 107.2 | N52 | P50-N52 PolarHBondContact O-N 3.23Š|
| 51 | L | 48.3 | Very low | 47.8 | Very low | 160 Ų | 160 | 143 Ų | 143 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | | | trans | -65.2 | 94.4 | 164.9 | -83.1 | 159.7 | 0 | 0 | 0 | 107.1 | S49 W53 | S49-L51 PolarHBondContact O-N 3.28Å; S49-L51 VanDerWaalsContact O-N 3.08Å; L51-W53 VanDerWaalsContact C-N 3.33Å; L51-W53 PolarHBondContact O-N 3.23Å |
| 52 | N | 50.3 | Low | 47.8 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | | | trans | -40.4 | 100.7 | 150.5 | 155.6 | -6.7 | 0 | 0 | 0 | 107.5 | P50 T54 | P50-N52 PolarHBondContact O-N 3.23Å; N52-T54 WeakPolarHBondContact OD1-CB 3.22Å; N52-T54 PolarHBondContact OD1-N 3.07Å; N52-T54 PolarHBondContact OD1-OG1 3.28Å |
| 53 | W | 45.4 | Very low | 47.7 | Very low | 216 Ų | 216 | 142.7 Ų | 142.7 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -103.7 | 87.4 | 156.8 | 68.1 | -72.8 | 0 | 0 | 0 | 104.6 | L51 S55 | L51-W53 VanDerWaalsContact C-N 3.33Å; L51-W53 PolarHBondContact O-N 3.23Å; W53-S55 VanDerWaalsContact C-N 3.29Å; W53-S55 PolarHBondContact O-N 2.92Å |
| 54 | T | 38.6 | Very low | 47.8 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 60% | 0.595 | 76% | 0.763 | S | S | * | * | | | trans | -65.6 | 95.7 | 173 | -62.2 | 0 | 0 | 0 | 0 | 107.8 | N52 S56 | N52-T54 WeakPolarHBondContact OD1-CB 3.22Å; N52-T54 PolarHBondContact OD1-N 3.07Å; N52-T54 PolarHBondContact OD1-OG1 3.28Å; T54-S56 VanDerWaalsContact CG2-OG 3.22Å; T54-S56 WeakPolarHBondContact CG2-OG 3.47Å; T54-S56 PolarHBondContact O-N 2.89Å |
| 55 | S | 51.4 | Low | 48.3 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | trans | -68.9 | 81.3 | 159.8 | 161.8 | 0 | 0 | 0 | 0 | 108.6 | W53 | W53-S55 VanDerWaalsContact C-N 3.29Å; W53-S55 PolarHBondContact O-N 2.92Å |
| 56 | S | 44.8 | Very low | 48.5 | Very low | 72 Ų | 72 | 139.9 Ų | 139.9 | 50% | 0.503 | 77% | 0.766 | S | S | . | * | | | trans | -160 | 101.4 | 160.9 | 60.3 | 0 | 0 | 0 | 0 | 109.6 | T54 | T54-S56 VanDerWaalsContact CG2-OG 3.22Å; T54-S56 WeakPolarHBondContact CG2-OG 3.47Å; T54-S56 PolarHBondContact O-N 2.89Å |
| 57 | H | 45.2 | Very low | 48.7 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | trans | 167.1 | 67.7 | 140.6 | -87.3 | -64.1 | 0 | 0 | 0 | 108.3 | | |
| 58 | F | 52.7 | Low | 48.5 | Very low | 227 Ų | 227 | 136.5 Ų | 136.5 | 100% | 0.996 | 77% | 0.765 | S | S | * | * | | | trans | -101.9 | 97.2 | 155.3 | -122.4 | -87.9 | 0 | 0 | 0 | 105.5 | | |
| 59 | G | 55.9 | Low | 48.7 | Very low | 56 Ų | 56 | 131 Ų | 131 | 58% | 0.577 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 149.2 | 113.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 60 | E | 49 | Very low | 49.1 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | trans | 92.8 | 72.9 | 165.2 | -147.5 | 164.4 | -179.9 | 0 | 0 | 117.3 | | |
| 61 | V | 42.7 | Very low | 49.4 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | trans | -132.3 | 91.3 | 139.5 | 176.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 62 | T | 49.3 | Very low | 49.3 | Very low | 140 Ų | 140 | 136 Ų | 136 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | | | trans | -71.5 | 125.9 | 157.1 | -60 | 0 | 0 | 0 | 0 | 107.6 | | |
| 63 | G | 51.5 | Low | 49.6 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | trans | 102.3 | 87 | 159.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 64 | S | 52 | Low | 49.8 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | | 174.9 | 98.3 | 126.9 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | E66 | S64-E66 PolarHBondContact O-N 3.45Š|
| 65 | A | 53.8 | Low | 50.5 | Low | 105 Ų | 105 | 134.1 Ų | 134.1 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | | | trans | -94.5 | 68.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 66 | E | 52.9 | Low | 49.9 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -104.6 | 114.8 | 170.4 | -126.6 | 79 | -143.5 | 0 | 0 | 109.1 | S64 | S64-E66 PolarHBondContact O-N 3.45Š|
| 67 | G | 55.6 | Low | 50.1 | Low | 57 Ų | 57 | 142.4 Ų | 142.4 | 59% | 0.588 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 100.8 | 64.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 68 | W | 44.7 | Very low | 49.9 | Very low | 271 Ų | 271 | 145.1 Ų | 145.1 | 100% | 1.027 | 81% | 0.807 | S | S | * | * | | | trans | -154.1 | 64.1 | 139.3 | -71.5 | 105.3 | 0 | 0 | 0 | 109.7 | | |
| 69 | G | 55.1 | Low | 49.7 | Very low | 60 Ų | 60 | 138.6 Ų | 138.6 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -103.1 | 147.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | E71 | G69-E71 PolarHBondContact O-N 2.76Š|
| 70 | P | 49.2 | Very low | 48.9 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 118.5 | 166.2 | 9.3 | -1 | 0 | 0 | 0 | 108.4 | E72 | P70-E72 PolarHBondContact O-N 3.43Š|
| 71 | E | 49.6 | Very low | 48.8 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.2 | 176 | -82.2 | -154.9 | 133.5 | 0 | 0 | 111.8 | G69 | G69-E71 PolarHBondContact O-N 2.76Š|
| 72 | E | 45 | Very low | 48.8 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 148.3 | 171.6 | -101.6 | 94.6 | 178.2 | 0 | 0 | 113.5 | P70 L74 | P70-E72 PolarHBondContact O-N 3.43Å; E72-L74 PolarHBondContact O-N 3.13Å |
| 73 | P | 56.5 | Low | 48.1 | Very low | 127 Ų | 127 | 142 Ų | 142 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -72.1 | 114.7 | 173.9 | -1.2 | 16.8 | 0 | 0 | 0 | 110.6 | | |
| 74 | L | 50.5 | Low | 47.4 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | -75.2 | 149.6 | 172.1 | -77.1 | 171.3 | 0 | 0 | 0 | 112.3 | E72 | E72-L74 PolarHBondContact O-N 3.13Š|
| 75 | P | 52.2 | Low | 46.8 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | | | trans | -87.9 | 146.5 | -156.3 | 34.4 | -33.6 | 0 | 0 | 0 | 113.3 | | |
| 76 | Y | 39.8 | Very low | 46.1 | Very low | 224 Ų | 224 | 145.8 Ų | 145.8 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | | | trans | 21.9 | 103.3 | 150.2 | -156.4 | -98.2 | 0 | 0 | 0 | 116.4 | R78 | Y76-R78 PolarHBondContact O-N 3Š|
| 77 | S | 49.8 | Very low | 45.9 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | -48 | 113.4 | 172.6 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | A79 | S77-A79 PolarHBondContact O-N 3.37Š|
| 78 | R | 40.8 | Very low | 44.8 | Very low | 236 Ų | 236 | 150.5 Ų | 150.5 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | | | trans | -62 | 127.6 | 175.3 | 177.9 | 174.8 | -75.1 | 163.5 | -3.4 | 110 | Y76 | Y76-R78 PolarHBondContact O-N 3Š|
| 79 | A | 46.9 | Very low | 44.3 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | | | trans | -44.5 | 132.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S77 | S77-A79 PolarHBondContact O-N 3.37Š|
| 80 | F | 40.7 | Very low | 43.5 | Very low | 218 Ų | 218 | 146.3 Ų | 146.3 | 96% | 0.956 | 81% | 0.814 | S | S | * | * | | | trans | -124.4 | 100.1 | 159.5 | -152.2 | -90.5 | 0 | 0 | 0 | 107 | | |
| 81 | G | 45.3 | Very low | 43 | Very low | 71 Ų | 71 | 148.3 Ų | 148.3 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | | | trans | -167.4 | 67.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 82 | E | 43.1 | Very low | 43.4 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -148.4 | 104.4 | 167.2 | -165.2 | 102.2 | -134.6 | 0 | 0 | 108.5 | | |
| 83 | V | 34.9 | Very low | 42.8 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | | | trans | -177.5 | 103.7 | 133.4 | 146.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 84 | N | 36.7 | Very low | 42.8 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -169.7 | 92.3 | 130.7 | -84.8 | -29.2 | 0 | 0 | 0 | 107.7 | | |
| 85 | A | 39.9 | Very low | 42.2 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -75.3 | 144.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 86 | A | 38.3 | Very low | 41.6 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | cis | -170.2 | -149.9 | 5.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 87 | P | 48.5 | Very low | 42.1 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | | | | -113.2 | -165.9 | -75.4 | 29.2 | -12.2 | 0 | 0 | 0 | 111.9 | | |
| 88 | W | 32.3 | Very low | 41.5 | Very low | 226 Ų | 226 | 131.1 Ų | 131.1 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | 75 | 104.9 | 160.8 | 80 | -75.4 | 0 | 0 | 0 | 121.8 | | |
| 89 | S | 34.4 | Very low | 41.3 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | | | | 88.9 | 123.7 | 125.3 | -54.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 90 | T | 39.3 | Very low | 41 | Very low | 145 Ų | 145 | 127 Ų | 127 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | 109.6 | 135.4 | 141.8 | -29.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 91 | E | 39.3 | Very low | 41.1 | Very low | 175 Ų | 175 | 121.4 Ų | 121.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -79.8 | -165.8 | -160.5 | -137.1 | -150.6 | 129.5 | 0 | 0 | 114 | | |
| 92 | P | 57.8 | Low | 40.8 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | | | trans | -105.6 | 165.2 | -130.3 | 31.1 | -9.1 | 0 | 0 | 0 | 114 | | |
| 93 | G | 31.2 | Very low | 40.8 | Very low | 72 Ų | 72 | 118.4 Ų | 118.4 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | -151.7 | 123.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 94 | P | 56.7 | Low | 41.3 | Very low | 124 Ų | 124 | 117.5 Ų | 117.5 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | | | trans | -93.9 | 134.6 | 178.6 | 34.9 | -28.1 | 0 | 0 | 0 | 111.1 | | |
| 95 | S | 39.5 | Very low | 41.4 | Very low | 128 Ų | 128 | 115.3 Ų | 115.3 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | trans | -147.3 | 106.5 | 162.5 | -69.2 | 0 | 0 | 0 | 0 | 110 | | |
| 96 | A | 38.1 | Very low | 41.5 | Very low | 95 Ų | 95 | 113.6 Ų | 113.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -89 | -172 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 97 | P | 51.8 | Low | 41.7 | Very low | 118 Ų | 118 | 115.7 Ų | 115.7 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | | | cis | -135.5 | 179.1 | -19 | 31.6 | -10.4 | 0 | 0 | 0 | 115 | | |
| 98 | A | 36.9 | Very low | 41.2 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | | | trans | 74.2 | 141.4 | 152.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 99 | T | 36.6 | Very low | 41.8 | Very low | 126 Ų | 126 | 112.9 Ų | 112.9 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | cis | -168.3 | 153.4 | 37.7 | -43 | 0 | 0 | 0 | 0 | 110.9 | | |
| 100 | S | 39.9 | Very low | 42.1 | Very low | 114 Ų | 114 | 112.7 Ų | 112.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | 75.5 | 137.3 | 153.7 | 80.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 101 | A | 43.8 | Very low | 42.2 | Very low | 99 Ų | 99 | 111.5 Ų | 111.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | cis | -157.7 | 144.9 | 2.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 102 | G | 37.4 | Very low | 42.6 | Very low | 80 Ų | 80 | 109.1 Ų | 109.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | 68 | 94 | 134.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 103 | A | 44.3 | Very low | 41.6 | Very low | 106 Ų | 106 | 109.5 Ų | 109.5 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | | | trans | -73.9 | 142 | 149.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 104 | S | 44.7 | Very low | 42.1 | Very low | 106 Ų | 106 | 117.7 Ų | 117.7 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | | | trans | 179.7 | 94.4 | 154.9 | 168.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 105 | S | 39.8 | Very low | 41.4 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | | | | 57.6 | 110.8 | 93 | 70 | 0 | 0 | 0 | 0 | 115.9 | | |
| 106 | G | 40.9 | Very low | 41.4 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | | | trans | 104.9 | 123.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 107 | P | 42.3 | Very low | 41.5 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80 | 126.8 | 162.5 | 30.9 | -28.3 | 0 | 0 | 0 | 110.3 | T109 | P107-T109 PolarHBondContact O-N 2.95Š|
| 108 | C | 37.8 | Very low | 41 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 126.9 | 179.3 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 109 | T | 46.4 | Very low | 41.2 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 117.1 | 158.8 | 39.8 | 0 | 0 | 0 | 0 | 108.6 | P107 | P107-T109 PolarHBondContact O-N 2.95Š|
| 110 | A | 39.2 | Very low | 41.3 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | | | trans | -137.2 | 112.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 111 | S | 42.3 | Very low | 41.2 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -143.9 | 159.7 | 158.3 | -87.8 | 0 | 0 | 0 | 0 | 105.8 | | |
| 112 | P | 46.5 | Very low | 40.7 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | | | cis | -133.1 | 161.7 | 4.2 | 36.5 | -18.5 | 0 | 0 | 0 | 113.4 | | |
| 113 | S | 38 | Very low | 40.6 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | trans | -154.3 | 101.7 | 157.4 | -163.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 114 | R | 42.2 | Very low | 40.4 | Very low | 245 Ų | 245 | 140.7 Ų | 140.7 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | | | trans | -144.6 | 115.3 | 152.5 | -131.2 | 177.5 | -121.2 | -125.5 | 2.2 | 109 | L116 | R114-L116 PolarHBondContact O-N 2.93Š|
| 115 | R | 41.4 | Very low | 40.3 | Very low | 235 Ų | 235 | 146.6 Ų | 146.6 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | | | trans | -52.5 | 129 | 179.1 | -70.3 | 171.4 | -179.6 | -119.1 | -0.5 | 110.8 | | |
| 116 | L | 39.3 | Very low | 40.5 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | | | trans | -84 | 114.9 | 157.5 | -73.8 | 163.8 | 0 | 0 | 0 | 107.6 | R114 A118 | R114-L116 PolarHBondContact O-N 2.93Å; L116-A118 PolarHBondContact O-N 3.36Å |
| 117 | T | 41.1 | Very low | 40.6 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 84% | 0.84 | 83% | 0.827 | S | S | * | * | | | trans | -77.5 | 107.2 | 165.1 | 4.3 | 0 | 0 | 0 | 0 | 108.2 | V119 | T117-V119 PolarHBondContact O-N 2.9Š|
| 118 | A | 39.3 | Very low | 40.7 | Very low | 91 Ų | 91 | 149 Ų | 149 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | | | trans | -72.5 | 111.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L116 T120 | L116-A118 PolarHBondContact O-N 3.36Å; A118-T120 PolarHBondContact O-N 3.29Å |
| 119 | V | 41.2 | Very low | 40.7 | Very low | 137 Ų | 137 | 151 Ų | 151 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | | | trans | -85.3 | 100 | 161.6 | 173.4 | 0 | 0 | 0 | 0 | 107.2 | T117 R121 | T117-V119 PolarHBondContact O-N 2.9Å; V119-R121 PolarHBondContact O-N 3Å; V119-R121 VanDerWaalsContact O-N 3.16Å |
| 120 | T | 39.8 | Very low | 40.6 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | | | trans | -67.5 | 102.7 | 168.6 | 41.3 | 0 | 0 | 0 | 0 | 109.7 | A118 | A118-T120 PolarHBondContact O-N 3.29Š|
| 121 | R | 37.5 | Very low | 40.2 | Very low | 231 Ų | 231 | 149.9 Ų | 149.9 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | | | trans | -91.5 | 106.5 | 163.1 | -159.9 | 176.4 | -169.5 | -175.9 | 3 | 108.2 | V119 T123 | V119-R121 PolarHBondContact O-N 3Å; V119-R121 VanDerWaalsContact O-N 3.16Å; R121-T123 PolarHBondContact O-N 3.4Å |
| 122 | K | 33.4 | Very low | 40.1 | Very low | 197 Ų | 197 | 156.4 Ų | 156.4 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | | | trans | -46.3 | 117.1 | 169.8 | -91.1 | 175.1 | 168.1 | 178.6 | 0 | 110.3 | S124 | K122-S124 PolarHBondContact O-N 3.01Š|
| 123 | T | 36.2 | Very low | 39.5 | Very low | 121 Ų | 121 | 154.7 Ų | 154.7 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | | | trans | -91.7 | 88 | 161.5 | -41.1 | 0 | 0 | 0 | 0 | 107.4 | R121 | R121-T123 PolarHBondContact O-N 3.4Š|
| 124 | S | 38.3 | Very low | 39.9 | Very low | 106 Ų | 106 | 155.6 Ų | 155.6 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | | | trans | -79.9 | 112.9 | 163.6 | 53.7 | 0 | 0 | 0 | 0 | 108.1 | K122 | K122-S124 PolarHBondContact O-N 3.01Š|
| 125 | W | 42.8 | Very low | 40.1 | Very low | 230 Ų | 230 | 147.9 Ų | 147.9 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 145.5 | 165 | -65.5 | 85.2 | 0 | 0 | 0 | 110.6 | | |
| 126 | P | 44 | Very low | 39.8 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 155.8 | 154.1 | 34.6 | -26 | 0 | 0 | 0 | 110.7 | | |
| 127 | P | 44.4 | Very low | 40 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 156.3 | -175.7 | 33 | -33.7 | 0 | 0 | 0 | 112.1 | L129 | P127-L129 PolarHBondContact O-N 3.49Š|
| 128 | T | 42.8 | Very low | 40 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | | | trans | -39.7 | 119.2 | 169.5 | -36.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 129 | L | 37.8 | Very low | 40.1 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | | | trans | -124.5 | 110.3 | 157.1 | -84.1 | 169.7 | 0 | 0 | 0 | 108.8 | P127 | P127-L129 PolarHBondContact O-N 3.49Š|
| 130 | T | 45 | Very low | 39.9 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | | | trans | -49.2 | 125.2 | 164.4 | 31.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 131 | G | 30.7 | Very low | 40.1 | Very low | 78 Ų | 78 | 146.4 Ų | 146.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | -165.5 | 103 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 132 | R | 39.7 | Very low | 40.7 | Very low | 257 Ų | 257 | 140 Ų | 140 | 97% | 0.97 | 81% | 0.811 | S | S | * | * | | | trans | -72.1 | 126.9 | 177.8 | -178.6 | -177.2 | -175.2 | -165 | 2.2 | 110.3 | | |
| 133 | A | 35.1 | Very low | 41.2 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | | | trans | -151.6 | 141 | 152.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 134 | P | 46.8 | Very low | 41.3 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -91.7 | 144 | -165.1 | 35.4 | -31.2 | 0 | 0 | 0 | 112.3 | | |
| 135 | G | 44.9 | Very low | 41.4 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | 127.8 | 70.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 136 | A | 35 | Very low | 41.5 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | trans | -116.8 | 110 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 137 | R | 43.8 | Very low | 41.5 | Very low | 233 Ų | 233 | 132.5 Ų | 132.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 151.6 | 166.1 | -70 | 178.6 | 171 | -165.1 | -3.7 | 109.1 | A139 | R137-A139 PolarHBondContact O-N 3.03Š|
| 138 | P | 41.3 | Very low | 41.3 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 131.1 | 179.9 | 26.6 | -32.5 | 0 | 0 | 0 | 109.3 | C140 | P138-C140 PolarHBondContact O-N 3.42Š|
| 139 | A | 40.6 | Very low | 41.5 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 57% | 0.57 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 121.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | R137 Y141 | R137-A139 PolarHBondContact O-N 3.03Å; A139-Y141 HydrophobicContact CB-CD2 3.42Å; A139-Y141 VanDerWaalsContact CB-CD2 3.42Å; A139-Y141 HydrophobicContact CB-CE2 3.39Å; A139-Y141 PolarHBondContact O-N 2.88Å |
| 140 | C | 37.1 | Very low | 41.9 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 91% | 0.912 | 79% | 0.787 | S | S | * | * | | | trans | -66.2 | 84.1 | 164.2 | -70.9 | 0 | 0 | 0 | 0 | 108.8 | P138 S142 | P138-C140 PolarHBondContact O-N 3.42Å; C140-S142 PolarHBondContact O-N 2.88Å |
| 141 | Y | 44.9 | Very low | 41.8 | Very low | 211 Ų | 211 | 125.3 Ų | 125.3 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | -85.5 | 82.4 | 169.2 | -86.2 | -82.9 | 0 | 0 | 0 | 109.8 | A139 | A139-Y141 HydrophobicContact CB-CD2 3.42Å; A139-Y141 VanDerWaalsContact CB-CD2 3.42Å; A139-Y141 HydrophobicContact CB-CE2 3.39Å; A139-Y141 PolarHBondContact O-N 2.88Å |
| 142 | S | 49.5 | Very low | 42.3 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 173.4 | 139.9 | 145.4 | 58.2 | 0 | 0 | 0 | 0 | 107.5 | C140 | C140-S142 PolarHBondContact O-N 2.88Š|
| 143 | C | 44.9 | Very low | 42.4 | Very low | 120 Ų | 120 | 120 Ų | 120 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 87.6 | 59.9 | 176 | -46.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 144 | C | 38.2 | Very low | 42.6 | Very low | 90 Ų | 90 | 120.6 Ų | 120.6 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | | | trans | -161.7 | 121.5 | 143.1 | -99.5 | 0 | 0 | 0 | 0 | 110.4 | C149 | C144-C149 VanDerWaalsContact SG-SG 3.62Š|
| 145 | P | 40 | Very low | 42.3 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | trans | -65.6 | 137 | 163.8 | -8.5 | 23.9 | 0 | 0 | 0 | 108.9 | H147 | P145-H147 PolarHBondContact O-N 3.06Š|
| 146 | A | 44.5 | Very low | 41.9 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 21 | -163 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 147 | H | 44.2 | Very low | 42.1 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 2.4 | -176.1 | -89.6 | -73.9 | 0 | 0 | 0 | 116.7 | P145 | P145-H147 PolarHBondContact O-N 3.06Š|
| 148 | S | 40.3 | Very low | 41.9 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -112.9 | -1.8 | -173.6 | -30.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 149 | C | 47 | Very low | 41.8 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 53% | 0.534 | 78% | 0.781 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.2 | 69.1 | -168.5 | -64.2 | 0 | 0 | 0 | 0 | 113.1 | C144 | C144-C149 VanDerWaalsContact SG-SG 3.62Š|
| 150 | T | 45.5 | Very low | 41.6 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | -4.4 | 165 | 46.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 151 | A | 43.9 | Very low | 41.8 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -115.3 | -23.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 152 | S | 41.2 | Very low | 41.1 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -97 | -25.3 | -168 | -160.9 | 0 | 0 | 0 | 0 | 115 | A154 | S152-A154 PolarHBondContact O-N 3.08Š|
| 153 | C | 42 | Very low | 41.3 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -82.1 | -8 | -171.9 | -60.1 | 0 | 0 | 0 | 0 | 114.9 | R155 | C153-R155 VanDerWaalsContact C-N 3.32Å; C153-R155 PolarHBondContact O-N 2.96Å |
| 154 | A | 39.2 | Very low | 40.6 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -80.2 | -6.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S152 | S152-A154 PolarHBondContact O-N 3.08Š|
| 155 | R | 39.8 | Very low | 40.4 | Very low | 234 Ų | 234 | 141.9 Ų | 141.9 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -122.2 | 33.6 | -169.5 | -148.1 | -175.6 | -119.9 | -161 | 0.6 | 115.5 | C153 | C153-R155 VanDerWaalsContact C-N 3.32Å; C153-R155 PolarHBondContact O-N 2.96Å |
| 156 | M | 36.9 | Very low | 40.6 | Very low | 178 Ų | 178 | 145 Ų | 145 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | -119.2 | 79.1 | 165.3 | -73.1 | -134.3 | -80.3 | 0 | 0 | 110.6 | | |
| 157 | R | 39.5 | Very low | 40.4 | Very low | 232 Ų | 232 | 146 Ų | 146 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | | | trans | -75.7 | 129.9 | 155.7 | -78 | -173.3 | 178.5 | -174 | -0.1 | 107.5 | R159 | R157-R159 PolarHBondContact O-N 2.6Š|
| 158 | P | 39.8 | Very low | 39.9 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | | | trans | -69.2 | 115.5 | 169.3 | 27.4 | -28.7 | 0 | 0 | 0 | 107.8 | T160 | P158-T160 PolarHBondContact O-N 3.21Š|
| 159 | R | 39.8 | Very low | 40 | Very low | 243 Ų | 243 | 143.4 Ų | 143.4 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | | | trans | -77.2 | 109.4 | 162.5 | -80.7 | -173.9 | 175 | 178 | -1.5 | 107 | R157 L161 | R157-R159 PolarHBondContact O-N 2.6Å; R159-L161 PolarHBondContact O-N 3.05Å |
| 160 | T | 34.7 | Very low | 39.4 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | | | trans | -52.9 | 121.8 | 169.1 | -39.9 | 0 | 0 | 0 | 0 | 109.2 | P158 G162 | P158-T160 PolarHBondContact O-N 3.21Å; T160-G162 PolarHBondContact O-N 2.82Å |
| 161 | L | 41.8 | Very low | 38.8 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | | | trans | -69.4 | 112.8 | 171.8 | -84.5 | 152.6 | 0 | 0 | 0 | 108.9 | R159 | R159-L161 PolarHBondContact O-N 3.05Š|
| 162 | G | 31.5 | Very low | 38.6 | Very low | 62 Ų | 62 | 144 Ų | 144 | 64% | 0.639 | 83% | 0.827 | S | S | * | * | | | trans | -101.1 | 149.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T160 | T160-G162 PolarHBondContact O-N 2.82Š|
| 163 | P | 51.9 | Low | 38.1 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | -88.9 | 159.7 | -172.6 | 38 | -34.7 | 0 | 0 | 0 | 112.2 | | |
| 164 | W | 31.9 | Very low | 37.9 | Very low | 243 Ų | 243 | 141.7 Ų | 141.7 | 92% | 0.92 | 83% | 0.83 | S | S | * | * | | | trans | 88.7 | 135.9 | 177.3 | -64.4 | 31.2 | 0 | 0 | 0 | 114.3 | | |
| 165 | S | 32.2 | Very low | 38.2 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | | | cis | -159.4 | 149.2 | 22.9 | -23.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 166 | L | 45.7 | Very low | 38.2 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 90% | 0.901 | 83% | 0.826 | S | S | * | * | | | trans | -60.9 | 153.3 | 162.2 | -82.7 | 134.6 | 0 | 0 | 0 | 110.7 | | |
| 167 | P | 40.2 | Very low | 38.6 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | | | trans | -128.8 | 145.4 | 133.7 | 30.2 | -16.7 | 0 | 0 | 0 | 114.2 | | |
| 168 | S | 33.8 | Very low | 38.5 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | trans | -41.8 | 156.4 | 173.6 | -126.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 169 | S | 42.7 | Very low | 38.7 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | | | trans | -54.5 | 141 | 170.4 | 51 | 0 | 0 | 0 | 0 | 116.3 | | |
| 170 | S | 33.6 | Very low | 38.7 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -171.1 | 133.8 | 131.9 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 171 | G | 32.8 | Very low | 39.2 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | 107.7 | 89.1 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 172 | S | 40 | Very low | 39 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | | | | 46.9 | 113.5 | 129.6 | -172.8 | 0 | 0 | 0 | 0 | 121 | | |
| 173 | G | 31.3 | Very low | 39.5 | Very low | 76 Ų | 76 | 127.3 Ų | 127.3 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | 154 | 97.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 174 | A | 37.3 | Very low | 38.8 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -83.7 | 173.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 175 | P | 45.8 | Very low | 39.1 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | cis | -121.1 | 127.1 | -29.7 | 31.3 | -14.6 | 0 | 0 | 0 | 110 | | |
| 176 | A | 38.4 | Very low | 39.4 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | | | trans | -96.1 | 99.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | G178 | A176-G178 PolarHBondContact O-N 3.16Š|
| 177 | E | 45.8 | Very low | 39.1 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -68.2 | 69 | 167.8 | -148.5 | -177.8 | 155.7 | 0 | 0 | 109 | | |
| 178 | G | 36.8 | Very low | 39 | Very low | 64 Ų | 64 | 125.2 Ų | 125.2 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | | | trans | -93.4 | 89.8 | 170 | 0 | 0 | 0 | 0 | 0 | 108.2 | A176 D180 | A176-G178 PolarHBondContact O-N 3.16Å; G178-D180 PolarHBondContact O-N 3.44Å |
| 179 | R | 43.8 | Very low | 39.2 | Very low | 213 Ų | 213 | 125.6 Ų | 125.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -68.8 | 85.5 | 163.9 | -69 | -175.4 | 179.7 | -155.6 | -0.7 | 107.5 | L181 | R179-L181 PolarHBondContact O-N 3.34Š|
| 180 | D | 40.1 | Very low | 38.9 | Very low | 161 Ų | 161 | 126.5 Ų | 126.5 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | trans | -60.4 | 90.2 | 160.4 | -107 | -25.2 | 0 | 0 | 0 | 107 | G178 G182 | G178-D180 PolarHBondContact O-N 3.44Å; D180-G182 PolarHBondContact O-N 3.37Å |
| 181 | L | 45.2 | Very low | 39.1 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -73.9 | 66.1 | 159.3 | -74.8 | 167.7 | 0 | 0 | 0 | 107.2 | R179 I183 | R179-L181 PolarHBondContact O-N 3.34Å; L181-I183 VanDerWaalsContact C-N 3.3Å; L181-I183 PolarHBondContact O-N 3.5Å |
| 182 | G | 37.7 | Very low | 39.4 | Very low | 62 Ų | 62 | 136.9 Ų | 136.9 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | | | trans | -63.6 | 95.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | D180 A184 | D180-G182 PolarHBondContact O-N 3.37Å; G182-A184 PolarHBondContact O-N 3.42Å |
| 183 | I | 42.1 | Very low | 39.4 | Very low | 129 Ų | 129 | 137 Ų | 137 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | trans | -67.7 | 92.3 | 170 | -58.2 | 173.4 | 0 | 0 | 0 | 106.4 | L181 F185 | L181-I183 VanDerWaalsContact C-N 3.3Å; L181-I183 PolarHBondContact O-N 3.5Å; I183-F185 HydrophobicContact CB-CE2 4.33Å; I183-F185 HydrophobicContact CG2-CD2 4.07Å; I183-F185 HydrophobicContact CG2-CE1 4.34Å; I183-F185 HydrophobicContact CG2-CE2 3.64Å; I183-F185 HydrophobicContact CG2-CZ 3.79Å; I183-F185 PolarHBondContact O-N 3.24Å; I183-F185 VanDerWaalsContact O-N 3.15Å |
| 184 | A | 37.4 | Very low | 39.9 | Very low | 79 Ų | 79 | 140.4 Ų | 140.4 | 65% | 0.653 | 80% | 0.797 | S | S | * | * | | | trans | -71.8 | 102.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | G182 N186 | G182-A184 PolarHBondContact O-N 3.42Å; A184-N186 VanDerWaalsContact C-N 3.3Å; A184-N186 PolarHBondContact O-N 3.5Å |
| 185 | F | 39.2 | Very low | 40 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | -74.6 | 87.6 | 166.2 | -70.6 | -82.3 | 0 | 0 | 0 | 108.8 | I183 F187 | I183-F185 HydrophobicContact CB-CE2 4.33Å; I183-F185 HydrophobicContact CG2-CD2 4.07Å; I183-F185 HydrophobicContact CG2-CE1 4.34Å; I183-F185 HydrophobicContact CG2-CE2 3.64Å; I183-F185 HydrophobicContact CG2-CZ 3.79Å; I183-F185 PolarHBondContact O-N 3.24Å; I183-F185 VanDerWaalsContact O-N 3.15Å; F185-F187 HydrophobicContact CB-CD2 4.12Å; F185-F187 HydrophobicContact CB-CE2 3.84Å; F185-F187 PolarHBondContact O-N 3.45Å |
| 186 | N | 37.5 | Very low | 39.7 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | | | trans | -71 | 95.1 | 164.2 | -84.7 | -65.4 | 0 | 0 | 0 | 108.3 | A184 L188 | A184-N186 VanDerWaalsContact C-N 3.3Å; A184-N186 PolarHBondContact O-N 3.5Å; N186-L188 PolarHBondContact O-N 3.27Å |
| 187 | F | 39.7 | Very low | 39.7 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | -74.5 | 99.5 | 161.9 | -75.4 | -86.1 | 0 | 0 | 0 | 107.5 | F185 C189 | F185-F187 HydrophobicContact CB-CD2 4.12Å; F185-F187 HydrophobicContact CB-CE2 3.84Å; F185-F187 PolarHBondContact O-N 3.45Å; F187-C189 VanDerWaalsContact C-N 3.32Å; F187-C189 PolarHBondContact O-N 3.44Å |
| 188 | L | 37.3 | Very low | 39.3 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -61.6 | 99.6 | 160.6 | -100.7 | 80.5 | 0 | 0 | 0 | 107.2 | N186 C190 | N186-L188 PolarHBondContact O-N 3.27Å; L188-C190 PolarHBondContact O-N 3.05Å |
| 189 | C | 39 | Very low | 39.5 | Very low | 124 Ų | 124 | 151 Ų | 151 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -65.2 | 115.5 | 158.1 | -84.7 | 0 | 0 | 0 | 0 | 107.1 | F187 | F187-C189 VanDerWaalsContact C-N 3.32Å; F187-C189 PolarHBondContact O-N 3.44Å |
| 190 | C | 37.1 | Very low | 39.1 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | trans | -52.1 | 138.2 | 172.4 | -65.4 | 0 | 0 | 0 | 0 | 110.6 | L188 | L188-C190 PolarHBondContact O-N 3.05Š|
| 191 | K | 37.3 | Very low | 39.1 | Very low | 278 Ų | 278 | 144.5 Ų | 144.5 | 100% | 1.209 | 79% | 0.793 | S | S | * | * | | | trans | -67.8 | 0 | 178.7 | -172.6 | 172.9 | -179.7 | 161.5 | 0 | 112.3 | | |